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 3a3k_1_B DATA FIRST_RESID 1 DATA SEQUENCE SDLTVAVVLP LTNTSYPWSW ARVGPAVELA LARVKARPDL LPGWTVRMVL DATA SEQUENCE GSSENAAGVc SDTAAPLAAV DLKWEHSPAV FLGPGcVYSA APVGRFTAHW DATA SEQUENCE RVPLLTAGAP ALGIGVKDEY ALTTRTGPSH VKLGDFVTAL HRRLGWEHQA DATA SEQUENCE LVLYADRLGD DRPcFFIVEG LYMRVRERLN ITVNHQEFVE GDPDHYPKLL DATA SEQUENCE RAVRRKGRVI YIcSSPDAFR NLMLLALNAG LTGEDYVFFH LDVFGQSLKX DATA SEQUENCE XXXXXPQKPW ERGDGQDRSA RQAFQAAKII TYKEPDNPEY LEFLKQLKLL DATA SEQUENCE ADKKFNFTVE DGLKNIIPAS FHDGLLLYVQ AVTETLAQGG TVTDGENITQ DATA SEQUENCE RMWNRSFQGV TGYLKIDRNG DRDTDFSLWD MDPETGAFRV VLNYNGTSQE DATA SEQUENCE LMAVSEHKLY WPLGYPPPDV PKcGFDNEDP AcNQD 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.521 174.600 -0.131 0.000 1.055 1 S CA 0.000 57.904 58.200 -0.493 0.000 1.107 1 S CB 0.000 62.673 63.200 -0.878 0.000 0.593 2 D N 1.484 121.927 120.400 0.073 0.000 2.303 2 D HA 0.427 5.067 4.640 -0.000 0.000 0.236 2 D C -0.930 175.608 176.300 0.397 0.000 1.068 2 D CA -0.219 53.907 54.000 0.210 0.000 0.830 2 D CB 1.403 42.260 40.800 0.095 0.000 1.109 2 D HN 0.434 nan 8.370 nan 0.000 0.496 3 L N 2.790 124.235 121.223 0.370 0.000 2.270 3 L HA 0.246 4.586 4.340 -0.000 0.000 0.286 3 L C -0.288 176.640 176.870 0.097 0.000 1.059 3 L CA -0.162 54.795 54.840 0.196 0.000 0.839 3 L CB 0.274 42.396 42.059 0.105 0.000 1.221 3 L HN 0.178 nan 8.230 nan 0.000 0.431 4 T N 3.860 118.442 114.554 0.047 0.000 2.794 4 T HA 0.284 4.634 4.350 -0.000 0.000 0.296 4 T C -0.095 174.550 174.700 -0.092 0.000 0.949 4 T CA -0.236 61.845 62.100 -0.032 0.000 1.101 4 T CB 1.181 70.017 68.868 -0.054 0.000 0.905 4 T HN 0.259 nan 8.240 nan 0.000 0.516 5 V N 3.347 123.190 119.914 -0.118 0.000 2.347 5 V HA 0.615 4.735 4.120 -0.000 0.000 0.280 5 V C 0.364 176.304 176.094 -0.257 0.000 1.021 5 V CA -1.073 61.125 62.300 -0.171 0.000 0.847 5 V CB 1.125 32.893 31.823 -0.093 0.000 0.990 5 V HN 1.039 nan 8.190 nan 0.000 0.444 6 A N 5.411 127.975 122.820 -0.427 0.000 2.276 6 A HA 0.729 5.049 4.320 -0.000 0.000 0.300 6 A C -0.408 176.978 177.584 -0.331 0.000 1.235 6 A CA -0.377 51.342 52.037 -0.530 0.000 0.867 6 A CB 0.743 19.082 19.000 -1.103 0.000 1.137 6 A HN 0.661 nan 8.150 nan 0.000 0.527 7 V N 3.540 123.314 119.914 -0.232 0.000 2.394 7 V HA 0.393 4.513 4.120 -0.000 0.000 0.282 7 V C -0.289 175.746 176.094 -0.099 0.000 1.031 7 V CA -0.389 61.813 62.300 -0.163 0.000 0.881 7 V CB 1.464 33.076 31.823 -0.353 0.000 0.982 7 V HN 0.584 nan 8.190 nan 0.000 0.451 8 V N 7.268 127.201 119.914 0.032 0.000 2.305 8 V HA 0.580 4.700 4.120 -0.000 0.000 0.275 8 V C -0.292 175.819 176.094 0.029 0.000 1.020 8 V CA -0.123 62.206 62.300 0.049 0.000 0.811 8 V CB 0.939 32.853 31.823 0.152 0.000 1.031 8 V HN 0.687 nan 8.190 nan 0.000 0.439 9 L N 4.743 125.958 121.223 -0.013 0.000 2.600 9 L HA 0.563 4.903 4.340 -0.000 0.000 0.257 9 L C -2.808 174.089 176.870 0.046 0.000 1.048 9 L CA -2.045 52.826 54.840 0.053 0.000 0.869 9 L CB 3.690 45.800 42.059 0.085 0.000 1.482 9 L HN 0.265 nan 8.230 nan 0.000 0.408 10 P HA 0.181 nan 4.420 nan 0.000 0.274 10 P C 0.414 177.786 177.300 0.120 0.000 1.291 10 P CA 0.039 63.190 63.100 0.085 0.000 0.815 10 P CB 0.307 32.059 31.700 0.086 0.000 0.897 11 L N 2.195 123.458 121.223 0.067 0.000 2.341 11 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 11 L C 1.764 178.712 176.870 0.129 0.000 1.115 11 L CA 1.588 56.472 54.840 0.075 0.000 0.820 11 L CB -0.671 41.354 42.059 -0.056 0.000 0.944 11 L HN 0.378 nan 8.230 nan 0.000 0.452 12 T N -5.842 108.772 114.554 0.099 0.000 2.989 12 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 12 T C 0.941 175.688 174.700 0.079 0.000 0.981 12 T CA -0.338 61.815 62.100 0.089 0.000 0.980 12 T CB -0.037 68.873 68.868 0.071 0.000 1.133 12 T HN -0.014 nan 8.240 nan 0.000 0.489 13 N N 2.907 121.669 118.700 0.102 0.000 2.470 13 N HA 0.119 4.859 4.740 -0.000 0.000 0.268 13 N C 0.812 176.350 175.510 0.047 0.000 1.136 13 N CA 0.618 53.729 53.050 0.102 0.000 0.961 13 N CB 1.638 40.256 38.487 0.217 0.000 1.067 13 N HN 0.524 nan 8.380 nan 0.000 0.468 14 T N -1.195 113.323 114.554 -0.060 0.000 3.054 14 T HA -0.004 4.346 4.350 -0.000 0.000 0.255 14 T C 1.553 176.116 174.700 -0.227 0.000 1.035 14 T CA 0.250 62.212 62.100 -0.230 0.000 0.941 14 T CB -0.198 68.472 68.868 -0.330 0.000 1.026 14 T HN 0.385 nan 8.240 nan 0.000 0.533 15 S N -0.188 115.365 115.700 -0.246 0.000 2.489 15 S HA 0.138 4.608 4.470 -0.000 0.000 0.228 15 S C 0.205 174.509 174.600 -0.493 0.000 0.995 15 S CA -0.433 57.556 58.200 -0.351 0.000 0.934 15 S CB -0.825 62.108 63.200 -0.444 0.000 0.771 15 S HN 0.616 nan 8.310 nan 0.000 0.522 16 Y N 1.909 121.979 120.300 -0.383 0.000 2.301 16 Y HA 0.399 4.949 4.550 0.000 0.000 0.325 16 Y C -1.640 173.837 175.900 -0.706 0.000 1.203 16 Y CA -2.409 55.250 58.100 -0.735 0.000 1.255 16 Y CB 0.539 38.373 38.460 -1.045 0.000 1.232 16 Y HN 0.014 nan 8.280 nan 0.000 0.501 17 P HA -0.120 nan 4.420 nan 0.000 0.223 17 P C 0.118 177.398 177.300 -0.034 0.000 1.151 17 P CA 1.273 64.184 63.100 -0.314 0.000 0.787 17 P CB -0.027 31.491 31.700 -0.304 0.000 0.788 18 W N -2.283 119.108 121.300 0.153 0.000 3.123 18 W HA 0.507 5.167 4.660 0.000 0.000 0.383 18 W C -0.181 176.352 176.519 0.024 0.000 1.102 18 W CA -0.528 56.899 57.345 0.137 0.000 1.865 18 W CB -1.278 28.340 29.460 0.263 0.000 1.111 18 W HN -0.367 nan 8.180 nan 0.000 0.621 19 S N 1.640 117.287 115.700 -0.088 0.000 2.563 19 S HA -0.174 4.296 4.470 -0.000 0.000 0.284 19 S C 1.054 175.651 174.600 -0.005 0.000 1.331 19 S CA -0.204 57.983 58.200 -0.021 0.000 1.047 19 S CB 0.479 63.605 63.200 -0.123 0.000 0.859 19 S HN 0.502 nan 8.310 nan 0.000 0.514 20 W N 2.602 123.818 121.300 -0.140 0.000 2.374 20 W HA -0.215 4.445 4.660 -0.000 0.000 0.288 20 W C 2.001 178.376 176.519 -0.241 0.000 1.218 20 W CA 1.110 58.362 57.345 -0.155 0.000 1.245 20 W CB -0.331 29.099 29.460 -0.050 0.000 1.126 20 W HN 0.884 nan 8.180 nan 0.000 0.545 21 A N 0.743 123.411 122.820 -0.253 0.000 2.076 21 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 21 A C 2.013 179.242 177.584 -0.591 0.000 1.160 21 A CA 1.607 53.368 52.037 -0.461 0.000 0.653 21 A CB -0.562 18.033 19.000 -0.676 0.000 0.801 21 A HN 0.378 nan 8.150 nan 0.000 0.455 22 R N -1.658 118.540 120.500 -0.503 0.000 2.121 22 R HA 0.107 4.447 4.340 -0.000 0.000 0.206 22 R C 1.903 177.967 176.300 -0.392 0.000 1.094 22 R CA 1.022 56.916 56.100 -0.342 0.000 1.055 22 R CB -0.117 30.078 30.300 -0.176 0.000 0.964 22 R HN 0.354 nan 8.270 nan 0.000 0.473 23 V N 0.399 120.061 119.914 -0.420 0.000 2.591 23 V HA -0.047 4.073 4.120 -0.000 0.000 0.249 23 V C 2.261 177.895 176.094 -0.768 0.000 1.053 23 V CA 1.837 63.884 62.300 -0.421 0.000 1.068 23 V CB -0.518 31.038 31.823 -0.446 0.000 0.689 23 V HN 0.493 nan 8.190 nan 0.000 0.462 24 G N 1.665 109.568 108.800 -1.495 0.000 2.480 24 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 24 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 24 G C 0.050 174.195 174.900 -1.259 0.000 1.200 24 G CA 1.286 45.043 45.100 -2.239 0.000 0.782 24 G HN 0.542 nan 8.290 nan 0.000 0.554 25 P HA -0.095 nan 4.420 nan 0.000 0.216 25 P C 2.044 179.174 177.300 -0.284 0.000 1.150 25 P CA 2.107 64.793 63.100 -0.690 0.000 0.837 25 P CB -0.240 31.077 31.700 -0.640 0.000 0.786 26 A N -0.208 122.473 122.820 -0.230 0.000 1.902 26 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 26 A C 2.490 180.191 177.584 0.195 0.000 1.181 26 A CA 1.822 53.950 52.037 0.151 0.000 0.623 26 A CB -1.638 17.539 19.000 0.296 0.000 0.818 26 A HN 0.072 nan 8.150 nan 0.000 0.443 27 V N -0.118 119.792 119.914 -0.006 0.000 2.358 27 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 27 V C 2.490 178.614 176.094 0.051 0.000 1.047 27 V CA 2.214 64.534 62.300 0.033 0.000 1.035 27 V CB -0.612 31.234 31.823 0.038 0.000 0.658 27 V HN 0.758 nan 8.190 nan 0.000 0.452 28 E N 0.009 120.228 120.200 0.032 0.000 2.085 28 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 28 E C 2.198 178.855 176.600 0.096 0.000 0.994 28 E CA 1.394 57.846 56.400 0.086 0.000 0.801 28 E CB -0.115 29.659 29.700 0.124 0.000 0.743 28 E HN 0.573 nan 8.360 nan 0.000 0.453 29 L N 0.185 121.485 121.223 0.129 0.000 2.046 29 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 29 L C 2.662 179.637 176.870 0.174 0.000 1.077 29 L CA 1.008 55.966 54.840 0.196 0.000 0.747 29 L CB -0.494 41.752 42.059 0.311 0.000 0.896 29 L HN 0.195 nan 8.230 nan 0.000 0.432 30 A N 0.304 123.152 122.820 0.046 0.000 1.883 30 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 30 A C 2.258 179.825 177.584 -0.028 0.000 1.186 30 A CA 1.558 53.473 52.037 -0.203 0.000 0.624 30 A CB -0.724 18.065 19.000 -0.352 0.000 0.822 30 A HN 0.364 nan 8.150 nan 0.000 0.444 31 L N -0.984 120.255 121.223 0.027 0.000 2.093 31 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 31 L C 3.125 180.032 176.870 0.061 0.000 1.085 31 L CA 0.879 55.751 54.840 0.053 0.000 0.755 31 L CB -0.712 41.389 42.059 0.070 0.000 0.904 31 L HN 0.452 nan 8.230 nan 0.000 0.435 32 A N 0.387 123.249 122.820 0.070 0.000 1.873 32 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 32 A C 2.460 180.086 177.584 0.070 0.000 1.193 32 A CA 2.108 54.188 52.037 0.071 0.000 0.629 32 A CB -0.709 18.338 19.000 0.078 0.000 0.826 32 A HN 0.339 nan 8.150 nan 0.000 0.447 33 R N -0.497 120.052 120.500 0.082 0.000 2.091 33 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 33 R C 2.010 178.351 176.300 0.067 0.000 1.136 33 R CA 1.887 58.037 56.100 0.083 0.000 0.959 33 R CB -0.457 29.908 30.300 0.108 0.000 0.856 33 R HN 0.360 nan 8.270 nan 0.000 0.437 34 V N 1.542 121.491 119.914 0.059 0.000 2.261 34 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 34 V C 2.513 178.642 176.094 0.058 0.000 1.047 34 V CA 2.104 64.439 62.300 0.058 0.000 1.015 34 V CB -0.632 31.225 31.823 0.056 0.000 0.642 34 V HN 0.411 nan 8.190 nan 0.000 0.446 35 K N 0.574 121.009 120.400 0.057 0.000 2.160 35 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 35 K C 1.755 178.383 176.600 0.047 0.000 1.047 35 K CA 1.849 58.168 56.287 0.053 0.000 0.930 35 K CB -0.234 32.296 32.500 0.051 0.000 0.720 35 K HN 0.475 nan 8.250 nan 0.000 0.450 36 A N 0.850 123.699 122.820 0.049 0.000 2.275 36 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 36 A C 0.239 177.849 177.584 0.043 0.000 1.201 36 A CA -0.084 51.979 52.037 0.044 0.000 0.843 36 A CB 0.205 19.232 19.000 0.046 0.000 0.873 36 A HN 0.092 nan 8.150 nan 0.000 0.492 37 R N -0.026 120.503 120.500 0.047 0.000 2.402 37 R HA 0.242 4.582 4.340 -0.000 0.000 0.290 37 R C -2.534 173.793 176.300 0.045 0.000 1.321 37 R CA -1.587 54.540 56.100 0.045 0.000 1.283 37 R CB 0.813 31.143 30.300 0.051 0.000 1.111 37 R HN 0.091 nan 8.270 nan 0.000 0.578 38 P HA -0.154 nan 4.420 nan 0.000 0.223 38 P C 0.763 178.088 177.300 0.042 0.000 1.144 38 P CA 1.056 64.180 63.100 0.040 0.000 0.783 38 P CB 0.259 31.978 31.700 0.032 0.000 0.771 39 D N -0.834 119.589 120.400 0.038 0.000 2.312 39 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 39 D C 0.548 176.871 176.300 0.038 0.000 0.964 39 D CA 0.530 54.552 54.000 0.036 0.000 0.877 39 D CB -0.358 40.462 40.800 0.032 0.000 0.924 39 D HN 0.217 nan 8.370 nan 0.000 0.515 40 L N 1.091 122.340 121.223 0.043 0.000 2.289 40 L HA 0.267 4.607 4.340 -0.000 0.000 0.285 40 L C 0.624 177.525 176.870 0.052 0.000 1.049 40 L CA -0.804 54.059 54.840 0.038 0.000 0.804 40 L CB 1.466 43.550 42.059 0.041 0.000 1.195 40 L HN -0.073 nan 8.230 nan 0.000 0.428 41 L N 2.459 123.705 121.223 0.039 0.000 3.823 41 L HA -0.175 4.165 4.340 -0.000 0.000 0.525 41 L C -2.247 174.738 176.870 0.191 0.000 1.247 41 L CA -0.668 54.225 54.840 0.088 0.000 0.776 41 L CB -1.568 40.537 42.059 0.078 0.000 1.443 41 L HN 0.505 nan 8.230 nan 0.000 0.831 42 P HA 0.209 nan 4.420 nan 0.000 0.271 42 P C 1.119 178.536 177.300 0.195 0.000 1.226 42 P CA 1.267 64.455 63.100 0.146 0.000 0.765 42 P CB 1.222 32.983 31.700 0.102 0.000 0.835 43 G N 0.907 109.749 108.800 0.071 0.000 2.143 43 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 43 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 43 G C -0.747 173.979 174.900 -0.291 0.000 0.991 43 G CA -0.514 44.523 45.100 -0.105 0.000 0.689 43 G HN 0.415 nan 8.290 nan 0.000 0.522 44 W N -0.442 120.856 121.300 -0.003 0.000 2.915 44 W HA 0.645 5.305 4.660 0.000 0.000 0.337 44 W C 0.013 176.535 176.519 0.005 0.000 1.102 44 W CA -0.528 56.816 57.345 -0.001 0.000 1.224 44 W CB 1.772 31.230 29.460 -0.003 0.000 1.416 44 W HN 0.170 nan 8.180 nan 0.000 0.503 45 T N 1.479 116.176 114.554 0.238 0.000 2.807 45 T HA 0.454 4.804 4.350 -0.000 0.000 0.279 45 T C -0.560 174.238 174.700 0.163 0.000 0.993 45 T CA -0.775 61.417 62.100 0.152 0.000 0.970 45 T CB 1.292 70.209 68.868 0.080 0.000 0.950 45 T HN 0.127 nan 8.240 nan 0.000 0.441 46 V N 4.703 124.694 119.914 0.128 0.000 2.521 46 V HA 0.344 4.464 4.120 -0.000 0.000 0.286 46 V C 0.404 176.542 176.094 0.074 0.000 1.034 46 V CA -0.331 62.033 62.300 0.106 0.000 1.045 46 V CB -0.012 31.870 31.823 0.098 0.000 0.974 46 V HN 0.659 nan 8.190 nan 0.000 0.480 47 R N 4.833 125.364 120.500 0.052 0.000 2.803 47 R HA 0.676 5.016 4.340 -0.000 0.000 0.276 47 R C -0.780 175.505 176.300 -0.025 0.000 0.978 47 R CA -0.819 55.289 56.100 0.013 0.000 0.939 47 R CB 1.998 32.295 30.300 -0.004 0.000 1.179 47 R HN 0.554 nan 8.270 nan 0.000 0.472 48 M N 2.376 121.952 119.600 -0.040 0.000 2.190 48 M HA 0.325 4.805 4.480 -0.000 0.000 0.312 48 M C -0.356 175.846 176.300 -0.162 0.000 0.990 48 M CA -1.044 54.215 55.300 -0.068 0.000 0.927 48 M CB 1.957 34.579 32.600 0.037 0.000 1.571 48 M HN 0.348 nan 8.290 nan 0.000 0.427 49 V N 2.549 122.308 119.914 -0.259 0.000 2.513 49 V HA 0.695 4.815 4.120 -0.000 0.000 0.299 49 V C -0.670 175.251 176.094 -0.289 0.000 1.035 49 V CA -0.811 61.284 62.300 -0.340 0.000 0.889 49 V CB 1.884 33.339 31.823 -0.614 0.000 0.988 49 V HN 0.793 nan 8.190 nan 0.000 0.440 50 L N 4.740 125.804 121.223 -0.265 0.000 2.313 50 L HA 0.890 5.230 4.340 -0.000 0.000 0.283 50 L C 0.629 177.372 176.870 -0.212 0.000 1.013 50 L CA -0.269 54.371 54.840 -0.333 0.000 0.816 50 L CB 1.598 43.392 42.059 -0.442 0.000 1.236 50 L HN 0.955 nan 8.230 nan 0.000 0.419 51 G N 0.787 109.475 108.800 -0.188 0.000 2.533 51 G HA2 0.519 4.479 3.960 -0.000 0.000 0.304 51 G HA3 0.519 4.479 3.960 -0.000 0.000 0.304 51 G C -1.447 173.395 174.900 -0.096 0.000 1.263 51 G CA -0.381 44.668 45.100 -0.086 0.000 0.964 51 G HN 0.409 nan 8.290 nan 0.000 0.479 52 S N -0.923 114.749 115.700 -0.046 0.000 2.454 52 S HA 0.452 4.922 4.470 -0.000 0.000 0.306 52 S C 1.323 175.926 174.600 0.005 0.000 1.100 52 S CA 0.054 58.236 58.200 -0.030 0.000 1.087 52 S CB 1.414 64.604 63.200 -0.016 0.000 1.019 52 S HN 1.100 nan 8.310 nan 0.000 0.480 53 S N 2.959 118.667 115.700 0.013 0.000 2.603 53 S HA 0.185 4.655 4.470 -0.000 0.000 0.220 53 S C 0.164 174.786 174.600 0.036 0.000 0.967 53 S CA -0.176 58.039 58.200 0.024 0.000 0.920 53 S CB -0.337 62.874 63.200 0.020 0.000 0.773 53 S HN 0.789 nan 8.310 nan 0.000 0.529 54 E N 2.951 123.176 120.200 0.042 0.000 2.313 54 E HA 0.260 4.610 4.350 -0.000 0.000 0.276 54 E C -0.047 176.588 176.600 0.057 0.000 1.031 54 E CA -0.673 55.766 56.400 0.064 0.000 0.857 54 E CB 0.525 30.272 29.700 0.079 0.000 1.040 54 E HN 0.603 nan 8.360 nan 0.000 0.408 55 N N 1.613 120.353 118.700 0.066 0.000 2.322 55 N HA 0.061 4.801 4.740 -0.000 0.000 0.270 55 N C 0.702 176.242 175.510 0.051 0.000 1.286 55 N CA 0.133 53.215 53.050 0.053 0.000 0.948 55 N CB 0.177 38.696 38.487 0.053 0.000 1.164 55 N HN 0.422 nan 8.380 nan 0.000 0.551 56 A N -0.647 122.197 122.820 0.041 0.000 1.940 56 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 56 A C 2.112 179.721 177.584 0.042 0.000 1.176 56 A CA 2.168 54.226 52.037 0.036 0.000 0.631 56 A CB -1.577 17.440 19.000 0.028 0.000 0.814 56 A HN 0.878 nan 8.150 nan 0.000 0.446 57 A N -1.862 120.987 122.820 0.047 0.000 2.172 57 A HA 0.338 4.658 4.320 -0.000 0.000 0.216 57 A C 1.924 179.547 177.584 0.066 0.000 1.154 57 A CA 1.476 53.544 52.037 0.052 0.000 0.701 57 A CB -0.990 18.041 19.000 0.052 0.000 0.789 57 A HN 1.991 nan 8.150 nan 0.000 0.465 58 G N -1.629 107.218 108.800 0.078 0.000 2.132 58 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.234 58 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.234 58 G C 0.285 175.278 174.900 0.156 0.000 0.989 58 G CA 0.546 45.706 45.100 0.100 0.000 0.676 58 G HN 1.793 nan 8.290 nan 0.000 0.522 59 V N -1.644 118.370 119.914 0.166 0.000 2.732 59 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 59 V C 1.378 177.595 176.094 0.205 0.000 1.053 59 V CA -1.199 61.257 62.300 0.260 0.000 0.957 59 V CB 1.211 33.176 31.823 0.237 0.000 1.018 59 V HN 1.443 nan 8.190 nan 0.000 0.452 60 c N 2.699 121.415 118.600 0.193 0.000 2.611 60 c HA 0.647 5.217 4.570 -0.000 0.000 0.416 60 c C 0.691 174.857 174.090 0.128 0.000 1.366 60 c CA 0.487 56.853 56.329 0.062 0.000 1.761 60 c CB -0.842 41.606 42.510 -0.103 0.000 2.619 60 c HN 1.531 nan 8.230 nan 0.000 0.606 61 S N 1.507 117.266 115.700 0.097 0.000 2.548 61 S HA 0.501 4.971 4.470 -0.000 0.000 0.286 61 S C 0.579 175.233 174.600 0.089 0.000 1.098 61 S CA -0.014 58.243 58.200 0.095 0.000 0.930 61 S CB 1.560 64.802 63.200 0.070 0.000 1.070 61 S HN 0.917 nan 8.310 nan 0.000 0.480 62 D N 2.414 122.864 120.400 0.083 0.000 2.363 62 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 62 D C 1.090 177.426 176.300 0.060 0.000 0.994 62 D CA 0.789 54.839 54.000 0.084 0.000 0.890 62 D CB -0.124 40.716 40.800 0.066 0.000 0.906 62 D HN 0.451 nan 8.370 nan 0.000 0.530 63 T N -0.514 114.067 114.554 0.045 0.000 3.087 63 T HA 0.296 4.646 4.350 -0.000 0.000 0.237 63 T C 2.000 176.717 174.700 0.029 0.000 0.990 63 T CA 0.775 62.897 62.100 0.036 0.000 1.160 63 T CB -0.145 68.739 68.868 0.027 0.000 0.923 63 T HN 0.228 nan 8.240 nan 0.000 0.442 64 A N 1.645 124.483 122.820 0.031 0.000 1.986 64 A HA 0.092 4.412 4.320 -0.000 0.000 0.220 64 A C 2.434 180.031 177.584 0.022 0.000 1.171 64 A CA 2.056 54.108 52.037 0.026 0.000 0.640 64 A CB -0.930 18.090 19.000 0.033 0.000 0.811 64 A HN 0.506 nan 8.150 nan 0.000 0.451 65 A N 0.206 123.041 122.820 0.026 0.000 1.840 65 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 65 A C 0.436 178.019 177.584 -0.002 0.000 1.198 65 A CA 1.434 53.485 52.037 0.023 0.000 0.608 65 A CB -1.416 17.601 19.000 0.028 0.000 0.839 65 A HN 0.487 nan 8.150 nan 0.000 0.443 66 P HA -0.147 nan 4.420 nan 0.000 0.216 66 P C 1.638 178.828 177.300 -0.183 0.000 1.150 66 P CA 0.947 63.965 63.100 -0.136 0.000 0.837 66 P CB -0.237 31.440 31.700 -0.039 0.000 0.786 67 L N -0.385 120.791 121.223 -0.078 0.000 1.990 67 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 67 L C 2.785 179.642 176.870 -0.021 0.000 1.072 67 L CA 2.029 56.837 54.840 -0.052 0.000 0.755 67 L CB -1.361 40.688 42.059 -0.016 0.000 0.889 67 L HN -0.026 nan 8.230 nan 0.000 0.432 68 A N -0.164 122.662 122.820 0.009 0.000 1.877 68 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 68 A C 2.541 180.194 177.584 0.115 0.000 1.186 68 A CA 1.777 53.844 52.037 0.050 0.000 0.620 68 A CB -0.769 18.259 19.000 0.045 0.000 0.822 68 A HN 0.430 nan 8.150 nan 0.000 0.443 69 A N -0.483 122.411 122.820 0.124 0.000 1.892 69 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 69 A C 2.255 180.021 177.584 0.304 0.000 1.188 69 A CA 2.060 54.262 52.037 0.275 0.000 0.631 69 A CB -1.125 17.885 19.000 0.016 0.000 0.822 69 A HN 0.447 nan 8.150 nan 0.000 0.447 70 V N 0.606 120.589 119.914 0.114 0.000 2.287 70 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 70 V C 2.238 178.399 176.094 0.112 0.000 1.053 70 V CA 2.352 64.720 62.300 0.113 0.000 1.027 70 V CB -0.873 30.928 31.823 -0.036 0.000 0.646 70 V HN 0.514 nan 8.190 nan 0.000 0.447 71 D N 0.045 120.503 120.400 0.095 0.000 2.104 71 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 71 D C 2.167 178.564 176.300 0.161 0.000 0.994 71 D CA 1.277 55.346 54.000 0.115 0.000 0.830 71 D CB -0.266 40.579 40.800 0.074 0.000 0.959 71 D HN 0.335 nan 8.370 nan 0.000 0.452 72 L N 0.480 121.807 121.223 0.173 0.000 2.046 72 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 72 L C 2.526 179.469 176.870 0.121 0.000 1.077 72 L CA 0.967 55.917 54.840 0.184 0.000 0.747 72 L CB -0.345 41.809 42.059 0.157 0.000 0.896 72 L HN -0.026 nan 8.230 nan 0.000 0.432 73 K N 0.040 120.512 120.400 0.120 0.000 2.026 73 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 73 K C 2.023 178.563 176.600 -0.100 0.000 1.048 73 K CA 1.602 57.837 56.287 -0.086 0.000 0.929 73 K CB -0.458 31.710 32.500 -0.553 0.000 0.713 73 K HN 0.482 nan 8.250 nan 0.000 0.439 74 W N 1.923 123.120 121.300 -0.173 0.000 2.333 74 W HA -0.217 4.443 4.660 -0.000 0.000 0.316 74 W C 1.568 177.988 176.519 -0.166 0.000 1.215 74 W CA 1.779 59.034 57.345 -0.149 0.000 1.278 74 W CB -0.289 29.108 29.460 -0.105 0.000 1.154 74 W HN 0.219 nan 8.180 nan 0.000 0.486 75 E N -1.516 118.531 120.200 -0.255 0.000 2.158 75 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 75 E C 1.772 177.976 176.600 -0.661 0.000 0.982 75 E CA 1.141 57.195 56.400 -0.576 0.000 0.823 75 E CB -0.192 29.187 29.700 -0.536 0.000 0.766 75 E HN 0.295 nan 8.360 nan 0.000 0.468 76 H N -1.361 117.603 119.070 -0.176 0.000 3.170 76 H HA 0.238 4.794 4.556 -0.000 0.000 0.264 76 H C 0.018 175.254 175.328 -0.154 0.000 1.113 76 H CA 0.473 56.428 56.048 -0.154 0.000 1.194 76 H CB 1.091 30.776 29.762 -0.129 0.000 1.553 76 H HN -0.056 nan 8.280 nan 0.000 0.538 77 S N 2.185 117.833 115.700 -0.087 0.000 3.524 77 S HA -0.107 4.363 4.470 -0.000 0.000 0.377 77 S C -2.356 172.211 174.600 -0.054 0.000 0.949 77 S CA -0.029 58.116 58.200 -0.093 0.000 1.264 77 S CB -1.065 62.075 63.200 -0.100 0.000 0.918 77 S HN 0.444 nan 8.310 nan 0.000 0.517 78 P HA 0.305 nan 4.420 nan 0.000 0.269 78 P C 0.731 178.000 177.300 -0.052 0.000 1.209 78 P CA 0.003 63.021 63.100 -0.135 0.000 0.776 78 P CB 0.779 32.244 31.700 -0.391 0.000 0.876 79 A N 2.439 125.237 122.820 -0.037 0.000 2.123 79 A HA 0.206 4.526 4.320 -0.000 0.000 0.214 79 A C 0.803 178.419 177.584 0.052 0.000 1.152 79 A CA 0.848 52.897 52.037 0.021 0.000 0.728 79 A CB -0.036 18.976 19.000 0.020 0.000 0.814 79 A HN 0.468 nan 8.150 nan 0.000 0.464 80 V N -1.341 118.551 119.914 -0.035 0.000 3.077 80 V HA 0.575 4.695 4.120 -0.000 0.000 0.299 80 V C -2.118 173.919 176.094 -0.095 0.000 1.276 80 V CA -1.076 61.187 62.300 -0.062 0.000 0.993 80 V CB 1.904 33.466 31.823 -0.434 0.000 1.076 80 V HN 0.192 nan 8.190 nan 0.000 0.434 81 F N 4.851 124.783 119.950 -0.029 0.000 2.458 81 F HA 0.766 5.293 4.527 -0.000 0.000 0.330 81 F C -0.177 175.616 175.800 -0.011 0.000 1.082 81 F CA -0.547 57.459 58.000 0.009 0.000 0.995 81 F CB 1.923 40.972 39.000 0.082 0.000 1.170 81 F HN 0.410 nan 8.300 nan 0.000 0.478 82 L N 2.644 123.962 121.223 0.159 0.000 2.349 82 L HA 0.818 5.158 4.340 -0.000 0.000 0.278 82 L C -0.043 176.975 176.870 0.247 0.000 0.996 82 L CA 0.174 55.128 54.840 0.190 0.000 0.825 82 L CB 1.093 43.234 42.059 0.137 0.000 1.243 82 L HN 0.816 nan 8.230 nan 0.000 0.412 83 G N 4.241 113.250 108.800 0.348 0.000 2.760 83 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.246 83 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.246 83 G C -2.976 172.007 174.900 0.138 0.000 1.359 83 G CA -0.714 44.542 45.100 0.261 0.000 0.861 83 G HN 0.556 nan 8.290 nan 0.000 0.541 84 P HA 0.364 nan 4.420 nan 0.000 0.273 84 P C 1.056 178.239 177.300 -0.196 0.000 1.250 84 P CA 0.787 63.861 63.100 -0.044 0.000 0.793 84 P CB 0.585 32.241 31.700 -0.074 0.000 1.011 85 G N -0.754 107.741 108.800 -0.509 0.000 2.673 85 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.208 85 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.208 85 G C 0.030 174.019 174.900 -1.518 0.000 1.128 85 G CA 0.275 44.608 45.100 -1.278 0.000 0.805 85 G HN 0.491 nan 8.290 nan 0.000 0.526 86 c N 1.264 119.329 118.600 -0.892 0.000 2.653 86 c HA 0.226 4.796 4.570 -0.000 0.000 0.421 86 c C 2.256 176.141 174.090 -0.342 0.000 1.334 86 c CA -0.594 55.520 56.329 -0.357 0.000 1.885 86 c CB 1.035 43.561 42.510 0.026 0.000 2.645 86 c HN 0.245 nan 8.230 nan 0.000 0.601 87 V N 3.024 122.714 119.914 -0.372 0.000 2.287 87 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 87 V C 1.687 177.588 176.094 -0.322 0.000 1.053 87 V CA 2.135 64.120 62.300 -0.525 0.000 1.027 87 V CB -0.840 30.382 31.823 -1.002 0.000 0.646 87 V HN 0.987 nan 8.190 nan 0.000 0.447 88 Y N -0.358 119.911 120.300 -0.052 0.000 2.373 88 Y HA -0.154 4.396 4.550 -0.000 0.000 0.293 88 Y C 2.794 178.695 175.900 0.000 0.000 1.129 88 Y CA 1.019 59.132 58.100 0.020 0.000 1.226 88 Y CB -0.059 38.460 38.460 0.098 0.000 1.000 88 Y HN 0.183 nan 8.280 nan 0.000 0.549 89 S N -0.243 115.521 115.700 0.106 0.000 2.371 89 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 89 S C 2.236 176.839 174.600 0.005 0.000 1.029 89 S CA 0.956 59.184 58.200 0.047 0.000 0.978 89 S CB -0.360 62.844 63.200 0.007 0.000 0.833 89 S HN 0.496 nan 8.310 nan 0.000 0.466 90 A N 1.383 124.160 122.820 -0.071 0.000 1.970 90 A HA 0.317 4.637 4.320 -0.000 0.000 0.216 90 A C 2.257 179.823 177.584 -0.030 0.000 1.170 90 A CA 1.357 53.339 52.037 -0.092 0.000 0.645 90 A CB -0.917 17.962 19.000 -0.203 0.000 0.816 90 A HN 0.466 nan 8.150 nan 0.000 0.447 91 A N 1.024 123.833 122.820 -0.019 0.000 1.849 91 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 91 A C 0.461 178.186 177.584 0.234 0.000 1.202 91 A CA 2.053 54.168 52.037 0.130 0.000 0.629 91 A CB -1.723 17.354 19.000 0.128 0.000 0.834 91 A HN 0.494 nan 8.150 nan 0.000 0.447 92 P HA -0.060 nan 4.420 nan 0.000 0.217 92 P C 1.616 179.020 177.300 0.174 0.000 1.151 92 P CA 1.442 64.625 63.100 0.137 0.000 0.828 92 P CB -0.299 31.490 31.700 0.147 0.000 0.788 93 V N 0.748 120.726 119.914 0.108 0.000 2.407 93 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 93 V C 2.862 178.938 176.094 -0.030 0.000 1.055 93 V CA 2.426 64.733 62.300 0.011 0.000 1.049 93 V CB -1.941 29.851 31.823 -0.052 0.000 0.662 93 V HN 0.180 nan 8.190 nan 0.000 0.455 94 G N -0.155 108.694 108.800 0.082 0.000 2.422 94 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 94 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 94 G C 1.698 176.587 174.900 -0.019 0.000 1.146 94 G CA 0.353 45.560 45.100 0.179 0.000 0.769 94 G HN 0.327 nan 8.290 nan 0.000 0.547 95 R N -0.255 120.149 120.500 -0.160 0.000 2.115 95 R HA 0.094 4.434 4.340 -0.000 0.000 0.230 95 R C 2.236 178.255 176.300 -0.469 0.000 1.111 95 R CA 0.433 56.291 56.100 -0.404 0.000 0.976 95 R CB -0.950 29.084 30.300 -0.444 0.000 0.870 95 R HN 0.477 nan 8.270 nan 0.000 0.445 96 F N 1.081 120.711 119.950 -0.533 0.000 2.084 96 F HA -0.203 4.324 4.527 -0.000 0.000 0.296 96 F C 2.699 177.770 175.800 -1.216 0.000 1.111 96 F CA 1.991 59.386 58.000 -1.008 0.000 1.224 96 F CB -0.677 37.586 39.000 -1.228 0.000 0.991 96 F HN 0.124 nan 8.300 nan 0.000 0.471 97 T N -1.827 112.388 114.554 -0.566 0.000 2.833 97 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 97 T C 2.066 176.736 174.700 -0.051 0.000 1.054 97 T CA 0.925 62.905 62.100 -0.199 0.000 1.135 97 T CB -0.839 67.962 68.868 -0.111 0.000 0.869 97 T HN 0.210 nan 8.240 nan 0.000 0.466 98 A N 1.578 124.329 122.820 -0.114 0.000 1.877 98 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 98 A C 2.223 179.779 177.584 -0.047 0.000 1.186 98 A CA 2.045 54.042 52.037 -0.067 0.000 0.620 98 A CB -1.295 17.632 19.000 -0.122 0.000 0.822 98 A HN 0.730 nan 8.150 nan 0.000 0.443 99 H N -1.750 117.179 119.070 -0.235 0.000 2.353 99 H HA -0.179 4.377 4.556 -0.000 0.000 0.300 99 H C 1.596 176.945 175.328 0.035 0.000 1.090 99 H CA 2.152 58.094 56.048 -0.176 0.000 1.327 99 H CB -0.195 29.366 29.762 -0.335 0.000 1.383 99 H HN 0.622 nan 8.280 nan 0.000 0.508 100 W N 0.628 121.933 121.300 0.008 0.000 2.699 100 W HA 0.135 4.795 4.660 0.000 0.000 0.249 100 W C 0.525 177.029 176.519 -0.024 0.000 1.280 100 W CA 0.927 58.263 57.345 -0.016 0.000 1.345 100 W CB -0.371 29.146 29.460 0.095 0.000 1.128 100 W HN 0.239 nan 8.180 nan 0.000 0.642 101 R N -1.107 119.493 120.500 0.166 0.000 3.532 101 R HA -0.154 4.186 4.340 -0.000 0.000 0.284 101 R C -0.795 175.587 176.300 0.137 0.000 1.140 101 R CA 0.253 56.410 56.100 0.096 0.000 0.768 101 R CB -2.168 28.158 30.300 0.044 0.000 1.252 101 R HN -0.174 nan 8.270 nan 0.000 0.454 102 V N 0.856 120.897 119.914 0.213 0.000 2.495 102 V HA 0.374 4.494 4.120 -0.000 0.000 0.298 102 V C -1.942 174.275 176.094 0.204 0.000 1.031 102 V CA -2.111 60.334 62.300 0.242 0.000 0.871 102 V CB 2.165 34.230 31.823 0.403 0.000 0.988 102 V HN -0.078 nan 8.190 nan 0.000 0.432 103 P HA 0.218 nan 4.420 nan 0.000 0.268 103 P C -0.876 176.517 177.300 0.155 0.000 1.205 103 P CA -0.011 63.169 63.100 0.134 0.000 0.771 103 P CB 0.587 32.364 31.700 0.129 0.000 0.858 104 L N 4.015 125.319 121.223 0.134 0.000 2.349 104 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 104 L C -1.206 175.709 176.870 0.076 0.000 0.996 104 L CA -0.663 54.256 54.840 0.132 0.000 0.825 104 L CB 0.711 42.837 42.059 0.112 0.000 1.243 104 L HN 0.185 nan 8.230 nan 0.000 0.412 105 L N 4.168 125.417 121.223 0.044 0.000 2.329 105 L HA 0.746 5.086 4.340 -0.000 0.000 0.279 105 L C -0.205 176.662 176.870 -0.005 0.000 1.014 105 L CA -0.465 54.373 54.840 -0.004 0.000 0.814 105 L CB 1.798 43.835 42.059 -0.037 0.000 1.257 105 L HN 0.561 nan 8.230 nan 0.000 0.424 106 T N 0.629 115.085 114.554 -0.163 0.000 3.012 106 T HA 0.556 4.906 4.350 -0.000 0.000 0.330 106 T C -0.096 174.229 174.700 -0.624 0.000 1.321 106 T CA 0.155 62.048 62.100 -0.345 0.000 1.067 106 T CB 1.826 70.600 68.868 -0.158 0.000 1.235 106 T HN 0.669 nan 8.240 nan 0.000 0.479 107 A N 2.466 124.584 122.820 -1.170 0.000 2.348 107 A HA 0.664 4.984 4.320 -0.000 0.000 0.224 107 A C 1.166 178.525 177.584 -0.375 0.000 1.227 107 A CA 0.739 52.325 52.037 -0.751 0.000 0.885 107 A CB -0.302 18.197 19.000 -0.835 0.000 0.933 107 A HN 0.949 nan 8.150 nan 0.000 0.506 108 G N -1.973 106.615 108.800 -0.353 0.000 3.075 108 G HA2 0.488 4.448 3.960 -0.000 0.000 0.156 108 G HA3 0.488 4.448 3.960 -0.000 0.000 0.156 108 G C 0.718 175.371 174.900 -0.413 0.000 1.403 108 G CA 0.001 44.886 45.100 -0.359 0.000 1.033 108 G HN 1.428 nan 8.290 nan 0.000 0.589 109 A N 0.145 122.651 122.820 -0.524 0.000 2.261 109 A HA -0.092 4.228 4.320 -0.000 0.000 0.282 109 A C -0.807 176.513 177.584 -0.441 0.000 1.403 109 A CA 1.117 52.869 52.037 -0.474 0.000 0.753 109 A CB -1.170 17.578 19.000 -0.421 0.000 1.125 109 A HN 0.422 nan 8.150 nan 0.000 0.358 110 P HA 0.247 nan 4.420 nan 0.000 0.249 110 P C 0.704 177.689 177.300 -0.525 0.000 1.229 110 P CA 0.968 63.726 63.100 -0.569 0.000 0.788 110 P CB -0.190 30.970 31.700 -0.900 0.000 1.072 111 A N 0.581 123.134 122.820 -0.445 0.000 2.483 111 A HA 0.045 4.365 4.320 -0.000 0.000 0.238 111 A C 1.448 178.915 177.584 -0.195 0.000 1.070 111 A CA -0.341 51.505 52.037 -0.319 0.000 0.770 111 A CB -0.231 18.362 19.000 -0.678 0.000 1.008 111 A HN 0.147 nan 8.150 nan 0.000 0.497 112 L N 3.048 124.244 121.223 -0.045 0.000 2.021 112 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 112 L C 2.240 179.073 176.870 -0.062 0.000 1.074 112 L CA 3.075 57.897 54.840 -0.030 0.000 0.760 112 L CB -0.943 41.133 42.059 0.028 0.000 0.889 112 L HN 0.782 nan 8.230 nan 0.000 0.433 113 G N -0.101 108.664 108.800 -0.057 0.000 2.450 113 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 113 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 113 G C 1.453 176.262 174.900 -0.152 0.000 1.130 113 G CA 0.953 46.031 45.100 -0.037 0.000 0.760 113 G HN 0.454 nan 8.290 nan 0.000 0.557 114 I N 1.755 122.110 120.570 -0.358 0.000 2.676 114 I HA -0.019 4.151 4.170 -0.000 0.000 0.259 114 I C 2.819 178.753 176.117 -0.304 0.000 1.194 114 I CA 0.969 61.902 61.300 -0.612 0.000 1.473 114 I CB -1.493 36.141 38.000 -0.610 0.000 1.096 114 I HN 0.208 nan 8.210 nan 0.000 0.443 115 G N 1.088 109.778 108.800 -0.182 0.000 2.625 115 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.214 115 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.214 115 G C 0.884 175.764 174.900 -0.034 0.000 1.132 115 G CA 0.050 45.079 45.100 -0.118 0.000 0.782 115 G HN 0.260 nan 8.290 nan 0.000 0.538 116 V N 1.965 121.907 119.914 0.047 0.000 2.223 116 V HA 0.151 4.271 4.120 -0.000 0.000 0.249 116 V C 0.851 177.054 176.094 0.182 0.000 1.233 116 V CA -0.416 61.950 62.300 0.110 0.000 1.131 116 V CB 0.681 32.582 31.823 0.130 0.000 1.298 116 V HN 0.154 nan 8.190 nan 0.000 0.498 117 K N 1.642 122.122 120.400 0.133 0.000 2.525 117 K HA -0.034 4.286 4.320 -0.000 0.000 0.192 117 K C 1.003 177.697 176.600 0.157 0.000 1.029 117 K CA 0.451 56.855 56.287 0.195 0.000 1.029 117 K CB 0.105 32.747 32.500 0.238 0.000 0.814 117 K HN 0.636 nan 8.250 nan 0.000 0.503 118 D N 1.064 121.522 120.400 0.096 0.000 2.219 118 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 118 D C 1.562 177.854 176.300 -0.013 0.000 0.970 118 D CA 0.996 55.022 54.000 0.044 0.000 0.851 118 D CB 0.177 40.995 40.800 0.029 0.000 0.943 118 D HN 0.356 nan 8.370 nan 0.000 0.488 119 E N -0.594 119.581 120.200 -0.042 0.000 2.099 119 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 119 E C 0.274 176.647 176.600 -0.379 0.000 0.962 119 E CA 0.350 56.608 56.400 -0.236 0.000 0.826 119 E CB 0.095 29.604 29.700 -0.318 0.000 0.788 119 E HN 0.336 nan 8.360 nan 0.000 0.461 120 Y N 1.189 121.487 120.300 -0.004 0.000 2.928 120 Y HA 0.354 4.904 4.550 0.000 0.000 0.390 120 Y C 0.112 176.051 175.900 0.065 0.000 1.101 120 Y CA -0.795 57.307 58.100 0.003 0.000 1.777 120 Y CB -0.066 38.384 38.460 -0.017 0.000 1.720 120 Y HN -0.046 nan 8.280 nan 0.000 0.484 121 A N 0.746 123.630 122.820 0.106 0.000 2.540 121 A HA 0.247 4.567 4.320 -0.000 0.000 0.239 121 A C 1.078 178.736 177.584 0.124 0.000 1.061 121 A CA 0.150 52.257 52.037 0.116 0.000 0.758 121 A CB -0.103 18.913 19.000 0.027 0.000 0.991 121 A HN 0.917 nan 8.150 nan 0.000 0.502 122 L N 0.161 121.461 121.223 0.128 0.000 4.937 122 L HA -0.189 4.151 4.340 -0.000 0.000 0.422 122 L C 0.610 177.607 176.870 0.212 0.000 1.059 122 L CA 0.764 55.660 54.840 0.093 0.000 1.111 122 L CB -2.630 39.452 42.059 0.038 0.000 2.033 122 L HN 0.728 nan 8.230 nan 0.000 0.708 123 T N 1.287 116.013 114.554 0.287 0.000 2.761 123 T HA 0.372 4.722 4.350 -0.000 0.000 0.296 123 T C 0.543 175.408 174.700 0.275 0.000 0.934 123 T CA 0.363 62.595 62.100 0.221 0.000 1.091 123 T CB 1.069 70.027 68.868 0.150 0.000 0.896 123 T HN 0.079 nan 8.240 nan 0.000 0.515 124 T N 5.609 120.282 114.554 0.199 0.000 2.770 124 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 124 T C 0.189 174.857 174.700 -0.052 0.000 0.988 124 T CA -0.757 61.429 62.100 0.143 0.000 0.957 124 T CB 0.866 69.900 68.868 0.278 0.000 0.930 124 T HN 0.365 nan 8.240 nan 0.000 0.443 125 R N 1.934 122.338 120.500 -0.159 0.000 2.255 125 R HA 0.379 4.719 4.340 -0.000 0.000 0.326 125 R C 1.066 177.234 176.300 -0.220 0.000 0.986 125 R CA -0.350 55.619 56.100 -0.217 0.000 0.847 125 R CB 0.806 30.956 30.300 -0.250 0.000 1.111 125 R HN 0.761 nan 8.270 nan 0.000 0.452 126 T N -1.489 112.918 114.554 -0.245 0.000 3.054 126 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 126 T C 0.817 175.376 174.700 -0.235 0.000 1.035 126 T CA -0.261 61.708 62.100 -0.218 0.000 0.941 126 T CB 0.765 69.517 68.868 -0.194 0.000 1.026 126 T HN 0.544 nan 8.240 nan 0.000 0.533 127 G N 1.571 110.208 108.800 -0.270 0.000 3.016 127 G HA2 0.691 4.651 3.960 -0.000 0.000 0.270 127 G HA3 0.691 4.651 3.960 -0.000 0.000 0.270 127 G C -3.047 171.692 174.900 -0.269 0.000 1.352 127 G CA -2.080 42.867 45.100 -0.256 0.000 1.060 127 G HN 0.045 nan 8.290 nan 0.000 0.538 128 P HA 0.224 nan 4.420 nan 0.000 0.269 128 P C -0.265 176.897 177.300 -0.230 0.000 1.215 128 P CA -0.068 62.829 63.100 -0.338 0.000 0.780 128 P CB 1.137 32.458 31.700 -0.632 0.000 0.898 129 S N 0.472 116.085 115.700 -0.144 0.000 2.599 129 S HA 0.398 4.868 4.470 -0.000 0.000 0.287 129 S C 0.521 175.115 174.600 -0.010 0.000 1.105 129 S CA -0.536 57.544 58.200 -0.199 0.000 0.899 129 S CB 0.920 64.004 63.200 -0.194 0.000 1.100 129 S HN 0.376 nan 8.310 nan 0.000 0.482 130 H N 1.105 120.198 119.070 0.037 0.000 2.502 130 H HA 0.056 4.612 4.556 0.000 0.000 0.283 130 H C 2.128 177.468 175.328 0.020 0.000 1.015 130 H CA 1.429 57.511 56.048 0.057 0.000 1.298 130 H CB -0.445 29.332 29.762 0.025 0.000 1.411 130 H HN 0.591 nan 8.280 nan 0.000 0.556 131 V N -0.517 119.454 119.914 0.096 0.000 2.515 131 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 131 V C 2.064 178.195 176.094 0.062 0.000 1.058 131 V CA 1.173 63.496 62.300 0.037 0.000 1.064 131 V CB -0.221 31.599 31.823 -0.004 0.000 0.675 131 V HN 0.075 nan 8.190 nan 0.000 0.461 132 K N 0.764 121.244 120.400 0.133 0.000 2.152 132 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 132 K C 2.103 178.855 176.600 0.255 0.000 1.048 132 K CA 1.719 58.153 56.287 0.245 0.000 0.933 132 K CB -0.859 31.831 32.500 0.318 0.000 0.721 132 K HN 0.570 nan 8.250 nan 0.000 0.447 133 L N 0.859 122.186 121.223 0.175 0.000 2.083 133 L HA -0.031 4.309 4.340 -0.000 0.000 0.209 133 L C 2.098 178.814 176.870 -0.256 0.000 1.083 133 L CA 2.058 56.747 54.840 -0.252 0.000 0.752 133 L CB -0.925 41.062 42.059 -0.120 0.000 0.899 133 L HN 0.201 nan 8.230 nan 0.000 0.433 134 G N -1.073 107.638 108.800 -0.148 0.000 2.432 134 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 134 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 134 G C 1.236 176.023 174.900 -0.189 0.000 1.135 134 G CA 0.869 45.853 45.100 -0.193 0.000 0.767 134 G HN 0.430 nan 8.290 nan 0.000 0.550 135 D N 0.075 120.418 120.400 -0.095 0.000 2.097 135 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 135 D C 1.965 178.117 176.300 -0.246 0.000 0.989 135 D CA 0.535 54.504 54.000 -0.052 0.000 0.827 135 D CB -0.418 40.474 40.800 0.153 0.000 0.966 135 D HN 0.292 nan 8.370 nan 0.000 0.456 136 F N 1.862 121.445 119.950 -0.611 0.000 2.069 136 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 136 F C 2.188 177.629 175.800 -0.599 0.000 1.113 136 F CA 1.139 58.521 58.000 -1.030 0.000 1.214 136 F CB -0.502 37.813 39.000 -1.141 0.000 0.978 136 F HN -0.211 nan 8.300 nan 0.000 0.474 137 V N 0.129 119.671 119.914 -0.620 0.000 2.287 137 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 137 V C 2.356 178.192 176.094 -0.431 0.000 1.053 137 V CA 2.417 64.376 62.300 -0.568 0.000 1.027 137 V CB -1.380 30.114 31.823 -0.549 0.000 0.646 137 V HN 0.463 nan 8.190 nan 0.000 0.447 138 T N 0.659 114.991 114.554 -0.370 0.000 2.665 138 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 138 T C 2.047 176.641 174.700 -0.176 0.000 1.035 138 T CA 1.942 63.897 62.100 -0.242 0.000 1.151 138 T CB -0.532 68.231 68.868 -0.175 0.000 0.862 138 T HN 0.603 nan 8.240 nan 0.000 0.438 139 A N 0.669 123.342 122.820 -0.246 0.000 1.972 139 A HA 0.058 4.378 4.320 -0.000 0.000 0.219 139 A C 2.325 179.783 177.584 -0.210 0.000 1.169 139 A CA 1.064 52.995 52.037 -0.177 0.000 0.635 139 A CB -0.748 18.170 19.000 -0.137 0.000 0.810 139 A HN 0.480 nan 8.150 nan 0.000 0.446 140 L N -1.690 119.326 121.223 -0.345 0.000 2.072 140 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 140 L C 2.576 179.376 176.870 -0.116 0.000 1.079 140 L CA 1.195 55.875 54.840 -0.267 0.000 0.752 140 L CB -0.494 41.344 42.059 -0.367 0.000 0.906 140 L HN 0.547 nan 8.230 nan 0.000 0.436 141 H N -0.733 118.263 119.070 -0.123 0.000 2.395 141 H HA -0.095 4.461 4.556 0.000 0.000 0.299 141 H C 2.366 177.625 175.328 -0.116 0.000 1.070 141 H CA 0.938 56.989 56.048 0.006 0.000 1.356 141 H CB 0.299 30.146 29.762 0.141 0.000 1.401 141 H HN 0.282 nan 8.280 nan 0.000 0.524 142 R N 0.582 121.083 120.500 0.002 0.000 2.073 142 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 142 R C 2.500 178.736 176.300 -0.108 0.000 1.134 142 R CA 0.884 56.955 56.100 -0.049 0.000 0.952 142 R CB -0.145 30.134 30.300 -0.035 0.000 0.850 142 R HN 0.185 nan 8.270 nan 0.000 0.433 143 R N 0.863 121.286 120.500 -0.128 0.000 2.152 143 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 143 R C 1.426 177.593 176.300 -0.222 0.000 1.117 143 R CA 1.256 57.276 56.100 -0.134 0.000 0.981 143 R CB 0.049 30.292 30.300 -0.095 0.000 0.870 143 R HN 0.239 nan 8.270 nan 0.000 0.451 144 L N -1.244 119.734 121.223 -0.408 0.000 2.693 144 L HA 0.303 4.643 4.340 -0.000 0.000 0.235 144 L C 0.954 177.406 176.870 -0.695 0.000 1.127 144 L CA 0.367 54.801 54.840 -0.677 0.000 0.914 144 L CB 0.924 42.226 42.059 -1.262 0.000 1.193 144 L HN 0.467 nan 8.230 nan 0.000 0.502 145 G N -0.911 107.642 108.800 -0.412 0.000 2.136 145 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 145 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 145 G C -0.333 174.544 174.900 -0.038 0.000 0.989 145 G CA -0.530 44.451 45.100 -0.199 0.000 0.682 145 G HN 0.180 nan 8.290 nan 0.000 0.522 146 W N 1.492 122.752 121.300 -0.066 0.000 2.387 146 W HA 0.565 5.225 4.660 -0.000 0.000 0.310 146 W C 0.961 177.514 176.519 0.056 0.000 1.181 146 W CA -0.285 57.029 57.345 -0.051 0.000 1.333 146 W CB -0.047 29.235 29.460 -0.297 0.000 1.286 146 W HN 0.580 nan 8.180 nan 0.000 0.455 147 E N 0.270 120.611 120.200 0.235 0.000 2.846 147 E HA 0.088 4.438 4.350 -0.000 0.000 0.211 147 E C -0.085 176.418 176.600 -0.162 0.000 0.975 147 E CA -0.083 56.329 56.400 0.019 0.000 1.211 147 E CB 0.101 29.737 29.700 -0.106 0.000 1.052 147 E HN 0.454 nan 8.360 nan 0.000 0.487 148 H N 0.251 119.417 119.070 0.161 0.000 2.381 148 H HA 0.326 4.882 4.556 0.000 0.000 0.252 148 H C 0.059 175.463 175.328 0.125 0.000 0.920 148 H CA 0.367 56.490 56.048 0.125 0.000 1.100 148 H CB 1.167 31.002 29.762 0.122 0.000 1.435 148 H HN 0.055 nan 8.280 nan 0.000 0.454 149 Q N 0.085 120.050 119.800 0.276 0.000 2.479 149 Q HA 0.665 5.005 4.340 -0.000 0.000 0.276 149 Q C -2.026 174.076 176.000 0.171 0.000 0.989 149 Q CA -0.728 55.186 55.803 0.185 0.000 0.864 149 Q CB 2.438 31.277 28.738 0.169 0.000 1.444 149 Q HN 0.308 nan 8.270 nan 0.000 0.388 150 A N 1.925 124.831 122.820 0.145 0.000 2.594 150 A HA 0.785 5.105 4.320 -0.000 0.000 0.295 150 A C -2.273 175.403 177.584 0.154 0.000 1.071 150 A CA -0.538 51.611 52.037 0.187 0.000 0.685 150 A CB 1.701 20.927 19.000 0.376 0.000 1.285 150 A HN 0.567 nan 8.150 nan 0.000 0.405 151 L N 1.299 122.628 121.223 0.177 0.000 2.346 151 L HA 0.835 5.175 4.340 -0.000 0.000 0.274 151 L C -1.225 175.822 176.870 0.295 0.000 1.007 151 L CA -0.453 54.493 54.840 0.176 0.000 0.818 151 L CB 2.054 44.175 42.059 0.105 0.000 1.284 151 L HN 0.505 nan 8.230 nan 0.000 0.424 152 V N 5.979 126.076 119.914 0.305 0.000 2.483 152 V HA 0.493 4.613 4.120 -0.000 0.000 0.297 152 V C -0.307 176.023 176.094 0.395 0.000 1.027 152 V CA -0.542 61.981 62.300 0.372 0.000 0.855 152 V CB 1.494 33.506 31.823 0.316 0.000 0.995 152 V HN 0.628 nan 8.190 nan 0.000 0.424 153 L N 6.012 127.476 121.223 0.401 0.000 2.325 153 L HA 0.797 5.137 4.340 -0.000 0.000 0.278 153 L C -0.799 176.416 176.870 0.575 0.000 1.023 153 L CA -0.763 54.315 54.840 0.397 0.000 0.811 153 L CB 1.681 43.884 42.059 0.241 0.000 1.249 153 L HN 0.821 nan 8.230 nan 0.000 0.431 154 Y N 0.816 121.367 120.300 0.418 0.000 2.592 154 Y HA 0.856 5.406 4.550 0.000 0.000 0.334 154 Y C -1.301 174.507 175.900 -0.153 0.000 1.136 154 Y CA -1.092 57.135 58.100 0.211 0.000 1.042 154 Y CB 1.398 39.932 38.460 0.123 0.000 1.325 154 Y HN 0.653 nan 8.280 nan 0.000 0.457 155 A N 2.095 124.755 122.820 -0.266 0.000 2.515 155 A HA 0.821 5.141 4.320 -0.000 0.000 0.296 155 A C -1.679 175.837 177.584 -0.113 0.000 1.094 155 A CA -0.582 51.126 52.037 -0.549 0.000 0.718 155 A CB 1.938 20.178 19.000 -1.267 0.000 1.307 155 A HN 0.790 nan 8.150 nan 0.000 0.408 156 D N -0.679 119.674 120.400 -0.077 0.000 2.614 156 D HA 0.424 5.064 4.640 -0.000 0.000 0.264 156 D C -0.600 175.704 176.300 0.007 0.000 1.092 156 D CA -0.519 53.498 54.000 0.029 0.000 1.071 156 D CB 1.824 42.686 40.800 0.103 0.000 1.443 156 D HN 0.475 nan 8.370 nan 0.000 0.528 157 R N 0.757 121.287 120.500 0.050 0.000 4.306 157 R HA 0.316 4.656 4.340 -0.000 0.000 0.266 157 R C -0.180 176.149 176.300 0.048 0.000 1.624 157 R CA -0.355 55.770 56.100 0.041 0.000 1.487 157 R CB -0.811 29.519 30.300 0.051 0.000 1.441 157 R HN 0.369 nan 8.270 nan 0.000 0.750 158 L N 0.964 122.208 121.223 0.034 0.000 3.582 158 L HA -0.341 3.999 4.340 -0.000 0.000 0.558 158 L C 0.669 177.567 176.870 0.046 0.000 1.020 158 L CA 1.258 56.115 54.840 0.030 0.000 1.015 158 L CB -0.302 41.764 42.059 0.013 0.000 0.992 158 L HN 0.913 nan 8.230 nan 0.000 0.677 159 G N 0.456 109.295 108.800 0.066 0.000 2.175 159 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.182 159 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.182 159 G C -0.097 174.885 174.900 0.136 0.000 1.003 159 G CA 0.137 45.284 45.100 0.080 0.000 0.666 159 G HN 0.818 nan 8.290 nan 0.000 0.506 160 D N -0.260 120.247 120.400 0.177 0.000 2.541 160 D HA 0.480 5.120 4.640 -0.000 0.000 0.276 160 D C 0.787 177.307 176.300 0.366 0.000 1.190 160 D CA -0.139 54.011 54.000 0.250 0.000 1.095 160 D CB -0.062 40.866 40.800 0.213 0.000 1.173 160 D HN -0.155 nan 8.370 nan 0.000 0.604 161 D N -1.567 119.081 120.400 0.413 0.000 2.378 161 D HA -0.004 4.636 4.640 -0.000 0.000 0.227 161 D C -0.133 176.444 176.300 0.461 0.000 1.012 161 D CA 0.107 54.383 54.000 0.460 0.000 0.905 161 D CB -0.214 40.881 40.800 0.491 0.000 0.895 161 D HN 0.290 nan 8.370 nan 0.000 0.532 162 R N -1.621 119.093 120.500 0.357 0.000 3.188 162 R HA -0.175 4.165 4.340 -0.000 0.000 0.247 162 R C -1.868 174.625 176.300 0.321 0.000 0.918 162 R CA 0.081 56.328 56.100 0.244 0.000 0.629 162 R CB -1.195 29.127 30.300 0.036 0.000 1.087 162 R HN 0.341 nan 8.270 nan 0.000 0.462 163 P HA -0.205 nan 4.420 nan 0.000 0.215 163 P C 1.058 178.497 177.300 0.232 0.000 1.157 163 P CA 1.200 64.527 63.100 0.377 0.000 0.874 163 P CB 0.108 32.013 31.700 0.342 0.000 0.790 164 c N -2.354 116.344 118.600 0.163 0.000 2.457 164 c HA -0.060 4.510 4.570 -0.000 0.000 0.278 164 c C 2.524 176.535 174.090 -0.131 0.000 1.309 164 c CA 0.115 56.482 56.329 0.062 0.000 1.735 164 c CB -2.026 40.592 42.510 0.181 0.000 1.992 164 c HN 0.200 nan 8.230 nan 0.000 0.493 165 F N 0.842 120.657 119.950 -0.224 0.000 2.095 165 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 165 F C 1.923 177.443 175.800 -0.466 0.000 1.104 165 F CA 1.798 59.507 58.000 -0.486 0.000 1.232 165 F CB -0.564 38.192 39.000 -0.406 0.000 0.987 165 F HN 0.217 nan 8.300 nan 0.000 0.475 166 F N 0.179 120.112 119.950 -0.028 0.000 2.186 166 F HA -0.126 4.401 4.527 0.000 0.000 0.299 166 F C 2.304 177.957 175.800 -0.245 0.000 1.090 166 F CA 1.032 58.988 58.000 -0.072 0.000 1.307 166 F CB -0.526 38.578 39.000 0.173 0.000 1.019 166 F HN -0.064 nan 8.300 nan 0.000 0.489 167 I N -0.358 120.028 120.570 -0.306 0.000 2.118 167 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 167 I C 2.231 178.109 176.117 -0.399 0.000 1.070 167 I CA 1.208 62.123 61.300 -0.642 0.000 1.327 167 I CB -0.527 37.177 38.000 -0.492 0.000 1.034 167 I HN -0.071 nan 8.210 nan 0.000 0.405 168 V N 0.344 119.980 119.914 -0.463 0.000 2.453 168 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 168 V C 2.420 178.237 176.094 -0.461 0.000 1.048 168 V CA 1.946 63.952 62.300 -0.490 0.000 1.049 168 V CB -0.649 30.709 31.823 -0.775 0.000 0.672 168 V HN 0.487 nan 8.190 nan 0.000 0.457 169 E N 0.638 120.480 120.200 -0.595 0.000 2.038 169 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 169 E C 2.281 178.789 176.600 -0.153 0.000 1.000 169 E CA 1.738 57.873 56.400 -0.441 0.000 0.803 169 E CB -0.533 28.864 29.700 -0.504 0.000 0.750 169 E HN 0.547 nan 8.360 nan 0.000 0.448 170 G N 1.687 110.436 108.800 -0.085 0.000 2.446 170 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 170 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 170 G C 1.602 176.466 174.900 -0.060 0.000 1.168 170 G CA 0.856 45.953 45.100 -0.005 0.000 0.771 170 G HN 0.346 nan 8.290 nan 0.000 0.551 171 L N -0.977 120.174 121.223 -0.121 0.000 1.989 171 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 171 L C 2.591 179.361 176.870 -0.167 0.000 1.071 171 L CA 2.140 56.872 54.840 -0.180 0.000 0.749 171 L CB -0.399 41.512 42.059 -0.247 0.000 0.890 171 L HN 0.356 nan 8.230 nan 0.000 0.431 172 Y N 0.020 120.169 120.300 -0.252 0.000 2.053 172 Y HA -0.368 4.182 4.550 -0.000 0.000 0.277 172 Y C 2.546 178.347 175.900 -0.165 0.000 1.159 172 Y CA 2.389 60.356 58.100 -0.222 0.000 1.125 172 Y CB -0.220 38.069 38.460 -0.287 0.000 0.969 172 Y HN 0.142 nan 8.280 nan 0.000 0.492 173 M N -0.184 119.366 119.600 -0.083 0.000 2.117 173 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 173 M C 2.305 178.497 176.300 -0.181 0.000 1.065 173 M CA 1.867 57.089 55.300 -0.129 0.000 1.114 173 M CB -1.154 31.450 32.600 0.008 0.000 1.361 173 M HN 0.257 nan 8.290 nan 0.000 0.408 174 R N 0.491 120.903 120.500 -0.148 0.000 2.090 174 R HA -0.015 4.325 4.340 -0.000 0.000 0.228 174 R C 1.953 178.143 176.300 -0.184 0.000 1.110 174 R CA 1.247 57.265 56.100 -0.136 0.000 0.973 174 R CB -0.845 29.395 30.300 -0.100 0.000 0.869 174 R HN 0.192 nan 8.270 nan 0.000 0.440 175 V N 1.094 120.860 119.914 -0.247 0.000 2.323 175 V HA -0.141 3.979 4.120 -0.000 0.000 0.244 175 V C 2.422 178.350 176.094 -0.277 0.000 1.041 175 V CA 1.761 63.893 62.300 -0.280 0.000 1.025 175 V CB -0.481 31.135 31.823 -0.345 0.000 0.656 175 V HN 0.301 nan 8.190 nan 0.000 0.451 176 R N -0.048 120.228 120.500 -0.373 0.000 2.103 176 R HA -0.253 4.087 4.340 -0.000 0.000 0.242 176 R C 2.291 178.458 176.300 -0.221 0.000 1.142 176 R CA 2.046 57.930 56.100 -0.359 0.000 0.960 176 R CB -0.457 29.488 30.300 -0.592 0.000 0.858 176 R HN 0.681 nan 8.270 nan 0.000 0.439 177 E N 0.328 120.410 120.200 -0.196 0.000 2.152 177 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 177 E C 1.743 178.283 176.600 -0.100 0.000 0.983 177 E CA 0.828 57.153 56.400 -0.125 0.000 0.818 177 E CB 0.220 29.858 29.700 -0.103 0.000 0.758 177 E HN 0.254 nan 8.360 nan 0.000 0.467 178 R N -0.729 119.703 120.500 -0.114 0.000 2.225 178 R HA 0.206 4.546 4.340 -0.000 0.000 0.194 178 R C 1.933 178.181 176.300 -0.086 0.000 0.957 178 R CA 0.193 56.240 56.100 -0.090 0.000 1.042 178 R CB 0.479 30.725 30.300 -0.089 0.000 1.004 178 R HN 0.198 nan 8.270 nan 0.000 0.509 179 L N -0.413 120.745 121.223 -0.107 0.000 2.749 179 L HA 0.187 4.527 4.340 -0.000 0.000 0.242 179 L C 0.097 176.920 176.870 -0.079 0.000 1.103 179 L CA -0.234 54.553 54.840 -0.089 0.000 0.906 179 L CB 0.200 42.198 42.059 -0.102 0.000 1.228 179 L HN 0.116 nan 8.230 nan 0.000 0.517 180 N N 2.021 120.666 118.700 -0.091 0.000 2.699 180 N HA -0.218 4.522 4.740 -0.000 0.000 0.256 180 N C -0.243 175.234 175.510 -0.055 0.000 0.993 180 N CA 0.543 53.548 53.050 -0.075 0.000 0.759 180 N CB -1.003 37.452 38.487 -0.054 0.000 0.906 180 N HN 0.580 nan 8.380 nan 0.000 0.541 181 I N -3.690 116.844 120.570 -0.060 0.000 2.793 181 I HA 0.535 4.705 4.170 -0.000 0.000 0.313 181 I C 0.415 176.530 176.117 -0.004 0.000 0.998 181 I CA -0.797 60.498 61.300 -0.009 0.000 1.140 181 I CB 1.558 39.576 38.000 0.030 0.000 1.327 181 I HN -0.056 nan 8.210 nan 0.000 0.491 182 T N 3.481 118.062 114.554 0.045 0.000 2.794 182 T HA 0.367 4.717 4.350 -0.000 0.000 0.296 182 T C -0.088 174.652 174.700 0.067 0.000 0.949 182 T CA -0.277 61.852 62.100 0.049 0.000 1.101 182 T CB 0.935 69.827 68.868 0.041 0.000 0.905 182 T HN 0.402 nan 8.240 nan 0.000 0.516 183 V N 5.551 125.536 119.914 0.118 0.000 2.305 183 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 183 V C 0.060 176.333 176.094 0.300 0.000 1.020 183 V CA -1.184 61.238 62.300 0.203 0.000 0.811 183 V CB 0.660 32.605 31.823 0.203 0.000 1.031 183 V HN 0.775 nan 8.190 nan 0.000 0.439 184 N N 4.766 123.558 118.700 0.153 0.000 2.525 184 N HA 0.347 5.087 4.740 -0.000 0.000 0.271 184 N C -0.313 175.302 175.510 0.176 0.000 1.194 184 N CA -0.009 53.086 53.050 0.076 0.000 0.964 184 N CB 0.786 39.252 38.487 -0.035 0.000 1.126 184 N HN 0.861 nan 8.380 nan 0.000 0.452 185 H N -1.564 117.552 119.070 0.078 0.000 2.996 185 H HA 0.475 5.031 4.556 0.000 0.000 0.368 185 H C -1.298 174.100 175.328 0.117 0.000 1.185 185 H CA -0.896 55.234 56.048 0.136 0.000 1.160 185 H CB 1.766 31.605 29.762 0.128 0.000 1.820 185 H HN 0.589 nan 8.280 nan 0.000 0.547 186 Q N 1.151 121.079 119.800 0.215 0.000 2.386 186 Q HA 0.347 4.687 4.340 -0.000 0.000 0.274 186 Q C -1.397 174.481 176.000 -0.203 0.000 1.011 186 Q CA -0.929 54.892 55.803 0.030 0.000 0.867 186 Q CB 2.875 31.582 28.738 -0.052 0.000 1.409 186 Q HN 0.735 nan 8.270 nan 0.000 0.395 187 E N 2.191 122.137 120.200 -0.424 0.000 2.349 187 E HA 0.529 4.879 4.350 -0.000 0.000 0.265 187 E C -1.179 175.352 176.600 -0.114 0.000 1.064 187 E CA -0.496 55.496 56.400 -0.680 0.000 0.886 187 E CB 0.658 30.054 29.700 -0.507 0.000 1.036 187 E HN 0.497 nan 8.360 nan 0.000 0.413 188 F N 0.192 120.016 119.950 -0.210 0.000 2.726 188 F HA 0.661 5.188 4.527 0.000 0.000 0.324 188 F C -1.631 174.233 175.800 0.106 0.000 1.140 188 F CA -1.268 56.783 58.000 0.085 0.000 0.964 188 F CB 0.936 39.949 39.000 0.021 0.000 1.399 188 F HN 0.099 nan 8.300 nan 0.000 0.491 189 V N 2.141 122.165 119.914 0.182 0.000 2.384 189 V HA 0.226 4.346 4.120 -0.000 0.000 0.287 189 V C 0.707 176.818 176.094 0.027 0.000 1.020 189 V CA -0.505 61.721 62.300 -0.124 0.000 0.850 189 V CB 1.083 32.773 31.823 -0.221 0.000 0.987 189 V HN 0.903 nan 8.190 nan 0.000 0.436 190 E N 4.178 124.364 120.200 -0.024 0.000 2.068 190 E HA -0.238 4.112 4.350 -0.000 0.000 0.207 190 E C 1.924 178.685 176.600 0.268 0.000 1.032 190 E CA 1.932 58.442 56.400 0.184 0.000 0.839 190 E CB -0.013 29.735 29.700 0.080 0.000 0.758 190 E HN 0.897 nan 8.360 nan 0.000 0.457 191 G N 0.715 109.588 108.800 0.122 0.000 3.088 191 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 191 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 191 G C -0.008 174.932 174.900 0.066 0.000 1.173 191 G CA -0.196 44.956 45.100 0.086 0.000 0.779 191 G HN 0.007 nan 8.290 nan 0.000 0.540 192 D N 0.652 121.105 120.400 0.089 0.000 2.443 192 D HA 0.254 4.894 4.640 -0.000 0.000 0.221 192 D C -1.233 175.183 176.300 0.194 0.000 1.097 192 D CA -2.445 51.564 54.000 0.016 0.000 0.865 192 D CB 2.133 42.783 40.800 -0.251 0.000 1.034 192 D HN 0.014 nan 8.370 nan 0.000 0.511 193 P HA -0.053 nan 4.420 nan 0.000 0.230 193 P C 0.494 177.932 177.300 0.231 0.000 1.158 193 P CA 0.401 63.552 63.100 0.085 0.000 0.769 193 P CB 0.635 32.300 31.700 -0.058 0.000 0.807 194 D N -0.833 119.691 120.400 0.207 0.000 2.218 194 D HA -0.143 4.497 4.640 -0.000 0.000 0.204 194 D C 1.754 178.246 176.300 0.319 0.000 0.976 194 D CA 1.049 55.184 54.000 0.225 0.000 0.853 194 D CB -0.750 40.175 40.800 0.209 0.000 0.939 194 D HN 0.446 nan 8.370 nan 0.000 0.481 195 H N -1.552 117.618 119.070 0.167 0.000 2.548 195 H HA -0.015 4.541 4.556 -0.000 0.000 0.268 195 H C 1.116 176.357 175.328 -0.145 0.000 0.975 195 H CA 0.176 56.234 56.048 0.016 0.000 1.195 195 H CB 0.362 30.134 29.762 0.017 0.000 1.397 195 H HN 0.235 nan 8.280 nan 0.000 0.572 196 Y N 0.423 120.746 120.300 0.038 0.000 2.286 196 Y HA -0.035 4.515 4.550 0.000 0.000 0.293 196 Y C -0.505 175.348 175.900 -0.078 0.000 1.124 196 Y CA 0.202 58.262 58.100 -0.066 0.000 1.178 196 Y CB -1.188 37.232 38.460 -0.067 0.000 1.010 196 Y HN 0.214 nan 8.280 nan 0.000 0.536 197 P HA -0.148 nan 4.420 nan 0.000 0.217 197 P C 1.198 178.477 177.300 -0.035 0.000 1.150 197 P CA 1.837 64.946 63.100 0.015 0.000 0.832 197 P CB 0.066 31.781 31.700 0.026 0.000 0.787 198 K N -0.486 119.879 120.400 -0.058 0.000 2.009 198 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 198 K C 2.074 178.594 176.600 -0.132 0.000 1.049 198 K CA 1.303 57.529 56.287 -0.102 0.000 0.929 198 K CB -0.830 31.581 32.500 -0.148 0.000 0.714 198 K HN 0.084 nan 8.250 nan 0.000 0.440 199 L N 0.691 121.789 121.223 -0.207 0.000 2.012 199 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 199 L C 2.314 179.086 176.870 -0.163 0.000 1.073 199 L CA 0.801 55.485 54.840 -0.260 0.000 0.748 199 L CB -0.423 41.328 42.059 -0.513 0.000 0.891 199 L HN 0.226 nan 8.230 nan 0.000 0.431 200 L N -0.121 121.021 121.223 -0.134 0.000 2.093 200 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 200 L C 2.715 179.556 176.870 -0.047 0.000 1.085 200 L CA 1.653 56.439 54.840 -0.090 0.000 0.755 200 L CB -1.034 40.980 42.059 -0.074 0.000 0.904 200 L HN 0.367 nan 8.230 nan 0.000 0.435 201 R N -0.044 120.430 120.500 -0.043 0.000 2.092 201 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 201 R C 2.262 178.557 176.300 -0.009 0.000 1.119 201 R CA 1.333 57.421 56.100 -0.019 0.000 0.970 201 R CB -0.028 30.258 30.300 -0.024 0.000 0.864 201 R HN 0.270 nan 8.270 nan 0.000 0.440 202 A N 0.379 123.180 122.820 -0.032 0.000 1.933 202 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 202 A C 2.224 179.820 177.584 0.021 0.000 1.175 202 A CA 1.469 53.492 52.037 -0.023 0.000 0.628 202 A CB -0.471 18.500 19.000 -0.049 0.000 0.814 202 A HN 0.224 nan 8.150 nan 0.000 0.444 203 V N -0.155 119.782 119.914 0.039 0.000 2.343 203 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 203 V C 2.656 178.877 176.094 0.212 0.000 1.051 203 V CA 2.366 64.739 62.300 0.122 0.000 1.036 203 V CB -0.769 31.117 31.823 0.105 0.000 0.654 203 V HN 0.536 nan 8.190 nan 0.000 0.451 204 R N -0.543 120.050 120.500 0.156 0.000 2.075 204 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 204 R C 2.556 178.985 176.300 0.215 0.000 1.126 204 R CA 1.350 57.577 56.100 0.212 0.000 0.963 204 R CB -0.233 30.143 30.300 0.127 0.000 0.858 204 R HN 0.472 nan 8.270 nan 0.000 0.435 205 R N 0.072 120.650 120.500 0.129 0.000 2.093 205 R HA 0.019 4.359 4.340 -0.000 0.000 0.224 205 R C 1.416 177.725 176.300 0.016 0.000 1.101 205 R CA 0.899 57.059 56.100 0.100 0.000 0.979 205 R CB 0.202 30.518 30.300 0.026 0.000 0.877 205 R HN 0.033 nan 8.270 nan 0.000 0.441 206 K N -0.565 119.791 120.400 -0.074 0.000 2.402 206 K HA 0.267 4.587 4.320 -0.000 0.000 0.204 206 K C 0.330 176.682 176.600 -0.413 0.000 1.056 206 K CA 0.230 56.322 56.287 -0.324 0.000 1.069 206 K CB 2.122 34.520 32.500 -0.169 0.000 0.888 206 K HN 0.159 nan 8.250 nan 0.000 0.546 207 G N 0.418 109.175 108.800 -0.072 0.000 2.702 207 G HA2 0.314 4.274 3.960 -0.000 0.000 0.296 207 G HA3 0.314 4.274 3.960 -0.000 0.000 0.296 207 G C -0.275 174.757 174.900 0.219 0.000 1.463 207 G CA -0.480 44.670 45.100 0.083 0.000 0.890 207 G HN -0.187 nan 8.290 nan 0.000 0.534 208 R N -0.182 120.357 120.500 0.065 0.000 2.342 208 R HA 0.219 4.559 4.340 -0.000 0.000 0.204 208 R C 0.619 176.697 176.300 -0.370 0.000 0.882 208 R CA 0.205 56.131 56.100 -0.290 0.000 1.041 208 R CB 0.650 30.700 30.300 -0.416 0.000 1.188 208 R HN 0.323 nan 8.270 nan 0.000 0.598 209 V N 3.263 122.968 119.914 -0.348 0.000 2.334 209 V HA 0.310 4.430 4.120 -0.000 0.000 0.267 209 V C -0.187 175.776 176.094 -0.219 0.000 1.040 209 V CA -0.471 61.543 62.300 -0.476 0.000 0.866 209 V CB 0.915 32.279 31.823 -0.766 0.000 1.019 209 V HN -0.035 nan 8.190 nan 0.000 0.468 210 I N 5.520 125.944 120.570 -0.243 0.000 2.404 210 I HA 0.470 4.640 4.170 -0.000 0.000 0.293 210 I C -0.627 175.501 176.117 0.018 0.000 0.992 210 I CA -0.326 60.967 61.300 -0.012 0.000 1.149 210 I CB 1.510 39.565 38.000 0.092 0.000 1.315 210 I HN 0.400 nan 8.210 nan 0.000 0.446 211 Y N 6.033 126.530 120.300 0.330 0.000 2.352 211 Y HA 0.676 5.226 4.550 0.000 0.000 0.339 211 Y C -0.146 175.975 175.900 0.369 0.000 0.992 211 Y CA -0.629 57.695 58.100 0.374 0.000 1.100 211 Y CB 1.517 40.133 38.460 0.259 0.000 1.192 211 Y HN 0.303 nan 8.280 nan 0.000 0.458 212 I N 3.287 124.192 120.570 0.559 0.000 2.439 212 I HA 0.250 4.420 4.170 -0.000 0.000 0.285 212 I C -1.107 175.311 176.117 0.501 0.000 1.021 212 I CA -0.575 61.039 61.300 0.524 0.000 1.091 212 I CB 1.512 39.860 38.000 0.581 0.000 1.242 212 I HN 0.580 nan 8.210 nan 0.000 0.439 213 c N 6.728 125.593 118.600 0.443 0.000 2.239 213 c HA 0.789 5.359 4.570 -0.000 0.000 0.323 213 c C 0.377 174.683 174.090 0.359 0.000 1.205 213 c CA 0.010 56.551 56.329 0.353 0.000 1.584 213 c CB -1.173 41.475 42.510 0.229 0.000 2.201 213 c HN 0.914 nan 8.230 nan 0.000 0.475 214 S N 3.304 119.234 115.700 0.383 0.000 2.661 214 S HA 0.624 5.094 4.470 -0.000 0.000 0.268 214 S C -0.461 174.343 174.600 0.341 0.000 1.162 214 S CA -0.189 58.202 58.200 0.318 0.000 0.817 214 S CB 0.688 64.138 63.200 0.416 0.000 1.141 214 S HN 1.480 nan 8.310 nan 0.000 0.477 215 S N 0.475 116.325 115.700 0.250 0.000 2.566 215 S HA 0.326 4.796 4.470 -0.000 0.000 0.280 215 S C -1.771 172.983 174.600 0.256 0.000 1.343 215 S CA -0.252 58.085 58.200 0.227 0.000 1.036 215 S CB -0.155 63.144 63.200 0.164 0.000 0.866 215 S HN 0.532 nan 8.310 nan 0.000 0.526 216 P HA -0.096 nan 4.420 nan 0.000 0.216 216 P C 0.781 178.208 177.300 0.212 0.000 1.153 216 P CA 1.367 64.617 63.100 0.251 0.000 0.858 216 P CB -0.051 31.752 31.700 0.172 0.000 0.789 217 D N -1.017 119.482 120.400 0.165 0.000 2.117 217 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 217 D C 2.036 178.433 176.300 0.162 0.000 0.982 217 D CA 1.504 55.588 54.000 0.141 0.000 0.828 217 D CB -0.822 40.038 40.800 0.100 0.000 0.967 217 D HN 0.031 nan 8.370 nan 0.000 0.464 218 A N 0.063 123.006 122.820 0.205 0.000 1.902 218 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 218 A C 2.106 179.802 177.584 0.187 0.000 1.181 218 A CA 0.905 53.101 52.037 0.264 0.000 0.623 218 A CB -0.960 18.267 19.000 0.379 0.000 0.818 218 A HN 0.255 nan 8.150 nan 0.000 0.443 219 F N 0.514 120.451 119.950 -0.022 0.000 2.102 219 F HA -0.152 4.375 4.527 0.000 0.000 0.298 219 F C 2.385 178.125 175.800 -0.099 0.000 1.105 219 F CA 2.044 59.932 58.000 -0.186 0.000 1.239 219 F CB -0.226 38.428 39.000 -0.576 0.000 0.991 219 F HN 0.218 nan 8.300 nan 0.000 0.474 220 R N 0.312 120.903 120.500 0.151 0.000 2.073 220 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 220 R C 2.065 178.378 176.300 0.021 0.000 1.134 220 R CA 1.848 58.081 56.100 0.221 0.000 0.952 220 R CB -0.440 30.034 30.300 0.291 0.000 0.850 220 R HN 0.251 nan 8.270 nan 0.000 0.433 221 N N 0.795 119.500 118.700 0.008 0.000 2.104 221 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 221 N C 1.852 177.301 175.510 -0.103 0.000 1.024 221 N CA 1.321 54.355 53.050 -0.027 0.000 0.853 221 N CB -0.269 38.222 38.487 0.007 0.000 1.008 221 N HN 0.261 nan 8.380 nan 0.000 0.424 222 L N 0.130 121.242 121.223 -0.184 0.000 2.046 222 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 222 L C 2.270 178.814 176.870 -0.543 0.000 1.077 222 L CA 0.779 55.413 54.840 -0.343 0.000 0.747 222 L CB -0.302 41.494 42.059 -0.439 0.000 0.896 222 L HN 0.122 nan 8.230 nan 0.000 0.432 223 M N -0.423 118.775 119.600 -0.670 0.000 2.067 223 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 223 M C 2.413 178.509 176.300 -0.341 0.000 1.069 223 M CA 1.854 56.749 55.300 -0.674 0.000 1.117 223 M CB -1.143 31.043 32.600 -0.691 0.000 1.334 223 M HN 0.213 nan 8.290 nan 0.000 0.407 224 L N -0.280 120.836 121.223 -0.178 0.000 2.013 224 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 224 L C 2.525 179.316 176.870 -0.133 0.000 1.073 224 L CA 1.183 55.962 54.840 -0.102 0.000 0.753 224 L CB -0.812 41.218 42.059 -0.048 0.000 0.890 224 L HN 0.271 nan 8.230 nan 0.000 0.432 225 L N -0.609 120.521 121.223 -0.155 0.000 2.042 225 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 225 L C 2.857 179.621 176.870 -0.177 0.000 1.076 225 L CA 1.247 56.004 54.840 -0.139 0.000 0.749 225 L CB -0.722 41.273 42.059 -0.106 0.000 0.893 225 L HN 0.294 nan 8.230 nan 0.000 0.432 226 A N -0.074 122.578 122.820 -0.280 0.000 1.898 226 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 226 A C 2.190 179.656 177.584 -0.196 0.000 1.181 226 A CA 1.575 53.431 52.037 -0.301 0.000 0.620 226 A CB -0.660 18.011 19.000 -0.548 0.000 0.819 226 A HN 0.326 nan 8.150 nan 0.000 0.442 227 L N 0.891 122.014 121.223 -0.167 0.000 2.012 227 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 227 L C 2.081 178.909 176.870 -0.070 0.000 1.073 227 L CA 2.553 57.340 54.840 -0.090 0.000 0.748 227 L CB -0.808 41.211 42.059 -0.066 0.000 0.891 227 L HN 0.565 nan 8.230 nan 0.000 0.431 228 N N -0.409 118.245 118.700 -0.076 0.000 2.223 228 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 228 N C 1.498 176.975 175.510 -0.055 0.000 1.016 228 N CA 1.132 54.147 53.050 -0.058 0.000 0.863 228 N CB 0.036 38.488 38.487 -0.058 0.000 0.983 228 N HN 0.520 nan 8.380 nan 0.000 0.429 229 A N -0.145 122.632 122.820 -0.073 0.000 2.238 229 A HA 0.302 4.622 4.320 -0.000 0.000 0.208 229 A C 1.395 178.949 177.584 -0.051 0.000 1.177 229 A CA 0.840 52.839 52.037 -0.063 0.000 0.804 229 A CB -0.406 18.544 19.000 -0.084 0.000 0.823 229 A HN 0.435 nan 8.150 nan 0.000 0.482 230 G N -0.996 107.776 108.800 -0.047 0.000 2.143 230 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.249 230 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.249 230 G C 0.048 174.943 174.900 -0.009 0.000 0.981 230 G CA 0.206 45.295 45.100 -0.019 0.000 0.665 230 G HN 0.522 nan 8.290 nan 0.000 0.528 231 L N 2.363 123.536 121.223 -0.082 0.000 2.342 231 L HA 0.513 4.853 4.340 -0.000 0.000 0.285 231 L C 1.189 178.059 176.870 0.001 0.000 1.095 231 L CA 0.215 54.953 54.840 -0.170 0.000 0.843 231 L CB 0.348 42.036 42.059 -0.617 0.000 1.201 231 L HN 0.408 nan 8.230 nan 0.000 0.445 232 T N -1.196 113.450 114.554 0.153 0.000 2.841 232 T HA 0.417 4.767 4.350 -0.000 0.000 0.276 232 T C 1.213 176.027 174.700 0.190 0.000 1.003 232 T CA -0.049 62.140 62.100 0.149 0.000 0.995 232 T CB 1.682 70.602 68.868 0.087 0.000 1.260 232 T HN 0.460 nan 8.240 nan 0.000 0.581 233 G N -0.465 108.413 108.800 0.130 0.000 2.625 233 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 233 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 233 G C 1.011 175.923 174.900 0.021 0.000 1.132 233 G CA 0.381 45.543 45.100 0.103 0.000 0.782 233 G HN 0.809 nan 8.290 nan 0.000 0.538 234 E N 0.485 120.678 120.200 -0.011 0.000 2.106 234 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 234 E C 1.588 178.108 176.600 -0.133 0.000 0.984 234 E CA 1.320 57.660 56.400 -0.100 0.000 0.806 234 E CB 0.147 29.802 29.700 -0.076 0.000 0.750 234 E HN 0.399 nan 8.360 nan 0.000 0.458 235 D N -1.958 118.385 120.400 -0.094 0.000 2.479 235 D HA 0.057 4.697 4.640 -0.000 0.000 0.221 235 D C -0.441 175.547 176.300 -0.519 0.000 1.104 235 D CA 0.201 54.029 54.000 -0.288 0.000 0.849 235 D CB 0.765 41.386 40.800 -0.299 0.000 1.072 235 D HN 0.118 nan 8.370 nan 0.000 0.502 236 Y N 0.422 120.598 120.300 -0.208 0.000 2.477 236 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 236 Y C -0.457 175.187 175.900 -0.426 0.000 0.981 236 Y CA -1.020 56.840 58.100 -0.400 0.000 1.033 236 Y CB 2.763 40.938 38.460 -0.474 0.000 1.245 236 Y HN -0.351 nan 8.280 nan 0.000 0.455 237 V N 4.800 124.448 119.914 -0.444 0.000 2.531 237 V HA 0.565 4.685 4.120 -0.000 0.000 0.301 237 V C -1.675 174.007 176.094 -0.687 0.000 1.034 237 V CA -0.893 61.156 62.300 -0.419 0.000 0.865 237 V CB 0.856 32.555 31.823 -0.207 0.000 0.995 237 V HN 0.603 nan 8.190 nan 0.000 0.424 238 F N 6.939 126.762 119.950 -0.211 0.000 2.361 238 F HA 0.559 5.086 4.527 -0.000 0.000 0.364 238 F C -0.249 175.502 175.800 -0.082 0.000 1.117 238 F CA -0.479 57.463 58.000 -0.097 0.000 1.071 238 F CB 1.197 40.167 39.000 -0.050 0.000 1.188 238 F HN 0.364 nan 8.300 nan 0.000 0.464 239 F N 2.412 122.497 119.950 0.226 0.000 2.371 239 F HA 0.194 4.721 4.527 0.000 0.000 0.363 239 F C 0.693 176.676 175.800 0.304 0.000 1.122 239 F CA -0.594 57.540 58.000 0.224 0.000 1.129 239 F CB 0.433 39.466 39.000 0.054 0.000 1.173 239 F HN 0.482 nan 8.300 nan 0.000 0.489 240 H N 5.313 124.423 119.070 0.067 0.000 2.944 240 H HA 0.247 4.803 4.556 0.000 0.000 0.278 240 H C -0.301 175.013 175.328 -0.024 0.000 1.083 240 H CA -0.625 55.216 56.048 -0.345 0.000 1.479 240 H CB 0.632 29.611 29.762 -1.305 0.000 1.486 240 H HN 0.559 nan 8.280 nan 0.000 0.493 241 L N 6.169 127.501 121.223 0.182 0.000 2.454 241 L HA 0.020 4.360 4.340 -0.000 0.000 0.284 241 L C 0.083 176.812 176.870 -0.236 0.000 1.139 241 L CA 0.191 55.046 54.840 0.024 0.000 0.911 241 L CB 0.033 42.156 42.059 0.108 0.000 1.262 241 L HN 0.683 nan 8.230 nan 0.000 0.453 242 D N 2.123 122.281 120.400 -0.404 0.000 2.613 242 D HA 0.102 4.742 4.640 -0.000 0.000 0.312 242 D C 1.006 177.104 176.300 -0.336 0.000 1.202 242 D CA -0.395 53.312 54.000 -0.487 0.000 0.825 242 D CB 0.934 41.211 40.800 -0.871 0.000 1.113 242 D HN 0.210 nan 8.370 nan 0.000 0.502 243 V N -0.397 119.275 119.914 -0.403 0.000 2.469 243 V HA -0.078 4.042 4.120 -0.000 0.000 0.251 243 V C 1.578 177.290 176.094 -0.638 0.000 1.064 243 V CA 1.290 63.119 62.300 -0.784 0.000 1.066 243 V CB -1.098 29.916 31.823 -1.349 0.000 0.667 243 V HN 0.299 nan 8.190 nan 0.000 0.461 244 F N 1.751 121.636 119.950 -0.109 0.000 2.727 244 F HA 0.563 5.090 4.527 -0.000 0.000 0.302 244 F C 1.872 177.664 175.800 -0.013 0.000 1.097 244 F CA 0.334 58.360 58.000 0.044 0.000 1.330 244 F CB -0.042 39.021 39.000 0.105 0.000 1.084 244 F HN 0.380 nan 8.300 nan 0.000 0.578 245 G N 1.180 109.989 108.800 0.015 0.000 2.323 245 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.292 245 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.292 245 G C 0.969 175.827 174.900 -0.069 0.000 1.040 245 G CA 0.173 45.210 45.100 -0.104 0.000 0.942 245 G HN 0.378 nan 8.290 nan 0.000 0.506 246 Q N 0.023 119.809 119.800 -0.022 0.000 2.291 246 Q HA -0.090 4.250 4.340 -0.000 0.000 0.205 246 Q C 2.664 178.647 176.000 -0.028 0.000 0.970 246 Q CA 1.667 57.473 55.803 0.004 0.000 0.876 246 Q CB -0.245 28.525 28.738 0.053 0.000 0.935 246 Q HN 1.029 nan 8.270 nan 0.000 0.455 247 S N -0.650 115.011 115.700 -0.066 0.000 2.558 247 S HA 0.149 4.619 4.470 -0.000 0.000 0.217 247 S C 0.792 175.292 174.600 -0.166 0.000 0.975 247 S CA -0.177 57.987 58.200 -0.060 0.000 0.912 247 S CB 0.006 63.224 63.200 0.031 0.000 0.776 247 S HN 0.112 nan 8.310 nan 0.000 0.526 248 L N 1.533 122.623 121.223 -0.221 0.000 2.329 248 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 248 L C 0.120 176.890 176.870 -0.166 0.000 1.014 248 L CA -0.822 53.846 54.840 -0.285 0.000 0.814 248 L CB 1.844 43.581 42.059 -0.537 0.000 1.257 248 L HN -0.045 nan 8.230 nan 0.000 0.424 257 Q N 0.907 120.767 119.800 0.101 0.000 2.322 257 Q HA 0.360 4.700 4.340 -0.000 0.000 0.256 257 Q C -0.570 175.410 176.000 -0.034 0.000 0.960 257 Q CA 0.154 55.977 55.803 0.033 0.000 0.934 257 Q CB 1.456 30.259 28.738 0.108 0.000 1.200 257 Q HN 0.299 nan 8.270 nan 0.000 0.435 258 K N 3.948 124.181 120.400 -0.278 0.000 2.606 258 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 258 K C -1.806 174.277 176.600 -0.863 0.000 1.048 258 K CA -1.436 54.434 56.287 -0.694 0.000 1.017 258 K CB 1.534 33.462 32.500 -0.953 0.000 1.413 258 K HN 0.238 nan 8.250 nan 0.000 0.568 259 P HA -0.145 nan 4.420 nan 0.000 0.230 259 P C 0.725 177.673 177.300 -0.585 0.000 1.158 259 P CA 0.732 63.535 63.100 -0.495 0.000 0.769 259 P CB -0.037 31.443 31.700 -0.368 0.000 0.807 260 W N 0.461 121.327 121.300 -0.723 0.000 2.905 260 W HA 0.252 4.912 4.660 0.000 0.000 0.251 260 W C 0.272 176.569 176.519 -0.371 0.000 1.305 260 W CA -0.320 56.492 57.345 -0.890 0.000 1.465 260 W CB -0.932 27.883 29.460 -1.076 0.000 1.122 260 W HN 0.038 nan 8.180 nan 0.000 0.659 261 E N 1.935 121.804 120.200 -0.552 0.000 2.259 261 E HA 0.116 4.466 4.350 -0.000 0.000 0.281 261 E C 0.820 177.316 176.600 -0.172 0.000 1.037 261 E CA -0.140 56.053 56.400 -0.346 0.000 0.854 261 E CB 0.729 30.027 29.700 -0.670 0.000 1.051 261 E HN -0.163 nan 8.360 nan 0.000 0.409 262 R N 2.633 123.102 120.500 -0.053 0.000 2.556 262 R HA 0.155 4.495 4.340 -0.000 0.000 0.276 262 R C 0.644 176.932 176.300 -0.021 0.000 0.931 262 R CA 0.556 56.632 56.100 -0.039 0.000 1.061 262 R CB 0.779 31.072 30.300 -0.012 0.000 1.432 262 R HN 0.814 nan 8.270 nan 0.000 0.547 263 G N 3.373 112.172 108.800 -0.001 0.000 2.249 263 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.273 263 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.273 263 G C 0.084 174.989 174.900 0.009 0.000 1.036 263 G CA 0.887 45.991 45.100 0.008 0.000 0.824 263 G HN 0.463 nan 8.290 nan 0.000 0.504 264 D N -1.210 119.200 120.400 0.016 0.000 2.402 264 D HA 0.381 5.021 4.640 -0.000 0.000 0.216 264 D C 1.641 177.948 176.300 0.012 0.000 1.128 264 D CA 0.221 54.227 54.000 0.009 0.000 0.833 264 D CB -0.345 40.459 40.800 0.006 0.000 0.971 264 D HN 1.449 nan 8.370 nan 0.000 0.503 265 G N 0.925 109.737 108.800 0.020 0.000 2.176 265 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.253 265 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.253 265 G C 0.668 175.579 174.900 0.018 0.000 0.979 265 G CA 0.314 45.424 45.100 0.017 0.000 0.641 265 G HN 0.466 nan 8.290 nan 0.000 0.530 266 Q N -0.373 119.444 119.800 0.028 0.000 2.155 266 Q HA 0.216 4.556 4.340 -0.000 0.000 0.220 266 Q C 0.799 176.828 176.000 0.048 0.000 0.819 266 Q CA -0.138 55.680 55.803 0.026 0.000 1.032 266 Q CB 0.523 29.273 28.738 0.020 0.000 1.151 266 Q HN 0.306 nan 8.270 nan 0.000 0.487 267 D N 1.408 121.857 120.400 0.080 0.000 2.178 267 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 267 D C 1.698 178.017 176.300 0.033 0.000 0.974 267 D CA 0.912 55.012 54.000 0.167 0.000 0.841 267 D CB 0.154 41.112 40.800 0.263 0.000 0.953 267 D HN 0.178 nan 8.370 nan 0.000 0.478 268 R N 0.462 120.953 120.500 -0.015 0.000 2.075 268 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 268 R C 2.158 178.386 176.300 -0.120 0.000 1.126 268 R CA 0.962 57.005 56.100 -0.096 0.000 0.963 268 R CB 0.005 30.275 30.300 -0.049 0.000 0.858 268 R HN -0.017 nan 8.270 nan 0.000 0.435 269 S N 0.362 116.026 115.700 -0.060 0.000 2.368 269 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 269 S C 1.899 176.475 174.600 -0.041 0.000 1.030 269 S CA 1.257 59.430 58.200 -0.046 0.000 0.999 269 S CB -0.104 63.083 63.200 -0.021 0.000 0.844 269 S HN 0.532 nan 8.310 nan 0.000 0.459 270 A N 1.499 124.306 122.820 -0.022 0.000 1.930 270 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 270 A C 2.059 179.582 177.584 -0.103 0.000 1.175 270 A CA 1.290 53.359 52.037 0.053 0.000 0.627 270 A CB -0.470 18.602 19.000 0.120 0.000 0.815 270 A HN 0.420 nan 8.150 nan 0.000 0.443 271 R N -0.458 119.728 120.500 -0.523 0.000 2.073 271 R HA -0.206 4.134 4.340 -0.000 0.000 0.234 271 R C 2.465 178.536 176.300 -0.383 0.000 1.134 271 R CA 1.918 57.397 56.100 -1.034 0.000 0.952 271 R CB -0.345 29.171 30.300 -1.308 0.000 0.850 271 R HN 0.728 nan 8.270 nan 0.000 0.433 272 Q N -0.205 119.465 119.800 -0.216 0.000 2.061 272 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 272 Q C 1.899 177.912 176.000 0.022 0.000 0.984 272 Q CA 1.954 57.713 55.803 -0.074 0.000 0.846 272 Q CB -0.178 28.523 28.738 -0.062 0.000 0.902 272 Q HN 0.459 nan 8.270 nan 0.000 0.421 273 A N -0.071 122.779 122.820 0.050 0.000 1.902 273 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 273 A C 1.634 179.309 177.584 0.152 0.000 1.181 273 A CA 1.170 53.251 52.037 0.074 0.000 0.623 273 A CB -0.808 18.223 19.000 0.052 0.000 0.818 273 A HN 0.508 nan 8.150 nan 0.000 0.443 274 F N 0.475 120.453 119.950 0.046 0.000 2.699 274 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 274 F C 2.373 178.354 175.800 0.301 0.000 1.154 274 F CA 0.907 59.047 58.000 0.233 0.000 1.457 274 F CB -0.365 38.854 39.000 0.365 0.000 1.106 274 F HN 0.350 nan 8.300 nan 0.000 0.585 275 Q N -0.482 119.503 119.800 0.309 0.000 2.234 275 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 275 Q C 2.092 178.281 176.000 0.314 0.000 0.980 275 Q CA 1.275 57.267 55.803 0.314 0.000 0.869 275 Q CB -0.241 28.658 28.738 0.268 0.000 0.912 275 Q HN 0.394 nan 8.270 nan 0.000 0.436 276 A N -0.179 122.794 122.820 0.255 0.000 2.275 276 A HA 0.463 4.783 4.320 -0.000 0.000 0.212 276 A C 0.506 178.246 177.584 0.260 0.000 1.201 276 A CA 0.193 52.380 52.037 0.251 0.000 0.843 276 A CB 0.308 19.497 19.000 0.315 0.000 0.873 276 A HN 0.224 nan 8.150 nan 0.000 0.492 277 A N 0.291 123.276 122.820 0.275 0.000 2.340 277 A HA 0.740 5.060 4.320 -0.000 0.000 0.331 277 A C -0.246 177.595 177.584 0.429 0.000 1.140 277 A CA -0.606 51.607 52.037 0.294 0.000 0.801 277 A CB 0.983 20.038 19.000 0.092 0.000 1.234 277 A HN 0.291 nan 8.150 nan 0.000 0.469 278 K N 0.961 121.556 120.400 0.324 0.000 2.482 278 K HA 0.674 4.994 4.320 -0.000 0.000 0.257 278 K C -1.591 175.274 176.600 0.442 0.000 0.969 278 K CA -0.529 56.036 56.287 0.463 0.000 0.842 278 K CB 2.476 35.153 32.500 0.296 0.000 1.359 278 K HN 0.596 nan 8.250 nan 0.000 0.441 279 I N 2.479 123.345 120.570 0.494 0.000 2.436 279 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 279 I C -0.556 175.789 176.117 0.380 0.000 1.010 279 I CA -0.821 60.648 61.300 0.283 0.000 1.098 279 I CB 1.537 39.559 38.000 0.036 0.000 1.266 279 I HN 0.359 nan 8.210 nan 0.000 0.434 280 I N 5.783 126.508 120.570 0.258 0.000 2.321 280 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 280 I C 0.314 176.464 176.117 0.056 0.000 0.998 280 I CA -0.137 61.297 61.300 0.223 0.000 1.227 280 I CB 1.567 39.702 38.000 0.225 0.000 1.368 280 I HN 0.625 nan 8.210 nan 0.000 0.466 281 T N 1.887 116.524 114.554 0.138 0.000 2.916 281 T HA 0.503 4.853 4.350 -0.000 0.000 0.292 281 T C -0.326 174.407 174.700 0.055 0.000 1.064 281 T CA -0.751 61.364 62.100 0.025 0.000 1.011 281 T CB 0.992 69.945 68.868 0.142 0.000 1.152 281 T HN 0.257 nan 8.240 nan 0.000 0.510 282 Y N 0.890 121.181 120.300 -0.015 0.000 2.652 282 Y HA 0.191 4.741 4.550 0.000 0.000 0.344 282 Y C 1.375 177.233 175.900 -0.070 0.000 1.254 282 Y CA -0.582 57.390 58.100 -0.213 0.000 1.480 282 Y CB 0.621 38.933 38.460 -0.247 0.000 1.345 282 Y HN 0.612 nan 8.280 nan 0.000 0.617 283 K N 2.421 122.839 120.400 0.030 0.000 2.368 283 K HA 0.013 4.333 4.320 -0.000 0.000 0.282 283 K C -0.516 176.091 176.600 0.011 0.000 1.035 283 K CA -0.483 55.821 56.287 0.029 0.000 0.973 283 K CB 0.580 33.064 32.500 -0.027 0.000 0.957 283 K HN 0.561 nan 8.250 nan 0.000 0.474 284 E N 5.463 125.693 120.200 0.050 0.000 2.299 284 E HA 0.109 4.459 4.350 -0.000 0.000 0.272 284 E C -2.347 174.178 176.600 -0.125 0.000 1.043 284 E CA -1.803 54.597 56.400 0.001 0.000 0.895 284 E CB 0.603 30.364 29.700 0.101 0.000 1.011 284 E HN 0.293 nan 8.360 nan 0.000 0.432 285 P HA 0.015 nan 4.420 nan 0.000 0.263 285 P C -0.784 176.401 177.300 -0.191 0.000 1.195 285 P CA 0.216 63.076 63.100 -0.401 0.000 0.762 285 P CB 0.547 31.670 31.700 -0.962 0.000 0.799 286 D N 0.545 120.900 120.400 -0.075 0.000 2.440 286 D HA -0.023 4.617 4.640 -0.000 0.000 0.216 286 D C 0.002 176.320 176.300 0.031 0.000 1.150 286 D CA -0.317 53.686 54.000 0.005 0.000 0.832 286 D CB -0.578 40.223 40.800 0.001 0.000 0.992 286 D HN 0.225 nan 8.370 nan 0.000 0.502 287 N N 1.163 119.885 118.700 0.035 0.000 2.530 287 N HA 0.102 4.842 4.740 -0.000 0.000 0.277 287 N C -1.615 173.952 175.510 0.096 0.000 1.168 287 N CA -1.093 51.990 53.050 0.054 0.000 0.979 287 N CB 1.627 40.138 38.487 0.040 0.000 1.141 287 N HN -0.182 nan 8.380 nan 0.000 0.459 288 P HA -0.111 nan 4.420 nan 0.000 0.218 288 P C 0.615 177.969 177.300 0.089 0.000 1.149 288 P CA 1.340 64.485 63.100 0.075 0.000 0.817 288 P CB 0.321 32.050 31.700 0.048 0.000 0.785 289 E N -1.025 119.228 120.200 0.088 0.000 2.153 289 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 289 E C 2.035 178.714 176.600 0.131 0.000 0.988 289 E CA 0.916 57.368 56.400 0.088 0.000 0.811 289 E CB -1.102 28.634 29.700 0.060 0.000 0.746 289 E HN 0.313 nan 8.360 nan 0.000 0.466 290 Y N 0.739 121.061 120.300 0.038 0.000 2.181 290 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 290 Y C 1.742 177.720 175.900 0.129 0.000 1.146 290 Y CA 1.365 59.507 58.100 0.071 0.000 1.164 290 Y CB -0.077 38.408 38.460 0.040 0.000 0.982 290 Y HN -0.005 nan 8.280 nan 0.000 0.515 291 L N -0.294 120.997 121.223 0.114 0.000 2.093 291 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 291 L C 2.401 179.257 176.870 -0.024 0.000 1.085 291 L CA 1.629 56.486 54.840 0.027 0.000 0.755 291 L CB -0.446 41.657 42.059 0.075 0.000 0.904 291 L HN 0.169 nan 8.230 nan 0.000 0.435 292 E N 0.281 120.489 120.200 0.015 0.000 2.072 292 E HA -0.255 4.095 4.350 -0.000 0.000 0.191 292 E C 1.940 178.527 176.600 -0.022 0.000 0.985 292 E CA 1.244 57.645 56.400 0.003 0.000 0.801 292 E CB -0.328 29.391 29.700 0.031 0.000 0.750 292 E HN 0.331 nan 8.360 nan 0.000 0.452 293 F N 0.753 120.608 119.950 -0.159 0.000 2.091 293 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 293 F C 1.795 177.454 175.800 -0.236 0.000 1.103 293 F CA 1.588 59.459 58.000 -0.216 0.000 1.228 293 F CB -0.305 38.514 39.000 -0.303 0.000 0.984 293 F HN 0.046 nan 8.300 nan 0.000 0.477 294 L N 0.114 121.131 121.223 -0.344 0.000 2.046 294 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 294 L C 2.513 179.203 176.870 -0.300 0.000 1.077 294 L CA 1.719 56.327 54.840 -0.387 0.000 0.747 294 L CB -0.765 41.125 42.059 -0.281 0.000 0.896 294 L HN 0.110 nan 8.230 nan 0.000 0.432 295 K N -0.276 120.003 120.400 -0.201 0.000 2.032 295 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 295 K C 2.183 178.680 176.600 -0.171 0.000 1.048 295 K CA 1.539 57.739 56.287 -0.145 0.000 0.927 295 K CB -0.160 32.287 32.500 -0.087 0.000 0.712 295 K HN 0.401 nan 8.250 nan 0.000 0.441 296 Q N 0.452 120.126 119.800 -0.210 0.000 2.079 296 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 296 Q C 2.242 178.078 176.000 -0.273 0.000 0.974 296 Q CA 0.954 56.639 55.803 -0.197 0.000 0.840 296 Q CB -0.121 28.522 28.738 -0.160 0.000 0.898 296 Q HN 0.190 nan 8.270 nan 0.000 0.430 297 L N 1.328 122.257 121.223 -0.489 0.000 2.046 297 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 297 L C 1.966 178.673 176.870 -0.272 0.000 1.077 297 L CA 1.821 56.364 54.840 -0.495 0.000 0.747 297 L CB -0.144 41.433 42.059 -0.802 0.000 0.896 297 L HN 0.003 nan 8.230 nan 0.000 0.432 298 K N -0.962 119.301 120.400 -0.229 0.000 2.025 298 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 298 K C 2.045 178.586 176.600 -0.098 0.000 1.049 298 K CA 1.573 57.775 56.287 -0.142 0.000 0.933 298 K CB -0.504 31.918 32.500 -0.130 0.000 0.714 298 K HN 0.218 nan 8.250 nan 0.000 0.438 299 L N 1.331 122.495 121.223 -0.098 0.000 1.989 299 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 299 L C 2.124 178.978 176.870 -0.027 0.000 1.071 299 L CA 1.457 56.261 54.840 -0.059 0.000 0.749 299 L CB -0.477 41.547 42.059 -0.058 0.000 0.890 299 L HN 0.106 nan 8.230 nan 0.000 0.431 300 L N -0.643 120.560 121.223 -0.034 0.000 2.217 300 L HA 0.038 4.378 4.340 -0.000 0.000 0.211 300 L C 2.405 179.347 176.870 0.120 0.000 1.107 300 L CA 1.739 56.600 54.840 0.034 0.000 0.783 300 L CB -0.845 41.224 42.059 0.015 0.000 0.919 300 L HN 0.281 nan 8.230 nan 0.000 0.442 301 A N -0.715 122.123 122.820 0.030 0.000 1.898 301 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 301 A C 2.067 179.752 177.584 0.168 0.000 1.181 301 A CA 1.810 53.902 52.037 0.092 0.000 0.620 301 A CB -0.897 18.123 19.000 0.033 0.000 0.819 301 A HN 0.553 nan 8.150 nan 0.000 0.442 302 D N -0.774 119.668 120.400 0.070 0.000 2.097 302 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 302 D C 1.989 178.323 176.300 0.057 0.000 0.984 302 D CA 1.378 55.403 54.000 0.042 0.000 0.826 302 D CB 0.069 40.862 40.800 -0.012 0.000 0.973 302 D HN 0.168 nan 8.370 nan 0.000 0.460 303 K N 0.079 120.512 120.400 0.055 0.000 2.031 303 K HA -0.024 4.296 4.320 -0.000 0.000 0.205 303 K C 1.932 178.544 176.600 0.019 0.000 1.049 303 K CA 0.887 57.193 56.287 0.031 0.000 0.939 303 K CB -0.127 32.385 32.500 0.021 0.000 0.717 303 K HN 0.152 nan 8.250 nan 0.000 0.438 304 K N -1.096 119.331 120.400 0.045 0.000 2.374 304 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 304 K C 0.286 176.647 176.600 -0.397 0.000 1.040 304 K CA 0.003 56.200 56.287 -0.150 0.000 1.085 304 K CB 0.591 32.979 32.500 -0.187 0.000 0.873 304 K HN -0.068 nan 8.250 nan 0.000 0.539 305 F N -0.316 119.636 119.950 0.003 0.000 2.856 305 F HA 0.199 4.726 4.527 -0.000 0.000 0.338 305 F C 0.073 175.914 175.800 0.068 0.000 1.100 305 F CA -0.629 57.380 58.000 0.014 0.000 1.150 305 F CB 0.381 39.351 39.000 -0.050 0.000 1.101 305 F HN -0.043 nan 8.300 nan 0.000 0.548 306 N N 1.243 120.062 118.700 0.200 0.000 2.738 306 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 306 N C -1.077 174.579 175.510 0.243 0.000 1.047 306 N CA 0.527 53.672 53.050 0.158 0.000 0.707 306 N CB -1.304 37.248 38.487 0.110 0.000 0.937 306 N HN 0.323 nan 8.380 nan 0.000 0.545 307 F N -0.257 119.720 119.950 0.045 0.000 2.604 307 F HA 0.430 4.957 4.527 0.000 0.000 0.316 307 F C -0.500 175.289 175.800 -0.017 0.000 1.136 307 F CA -0.525 57.482 58.000 0.012 0.000 0.989 307 F CB 1.352 40.358 39.000 0.010 0.000 1.258 307 F HN -0.040 nan 8.300 nan 0.000 0.451 308 T N 5.540 119.600 114.554 -0.823 0.000 2.729 308 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 308 T C -0.473 173.685 174.700 -0.903 0.000 0.928 308 T CA -0.316 61.393 62.100 -0.651 0.000 1.045 308 T CB 0.805 69.409 68.868 -0.439 0.000 0.902 308 T HN 0.362 nan 8.240 nan 0.000 0.500 309 V N 5.483 125.157 119.914 -0.400 0.000 2.353 309 V HA 0.154 4.274 4.120 -0.000 0.000 0.264 309 V C 0.733 176.743 176.094 -0.140 0.000 1.049 309 V CA -0.607 61.591 62.300 -0.169 0.000 0.896 309 V CB 0.448 32.263 31.823 -0.015 0.000 1.025 309 V HN 0.770 nan 8.190 nan 0.000 0.475 310 E N 2.899 123.028 120.200 -0.120 0.000 2.390 310 E HA 0.160 4.510 4.350 -0.000 0.000 0.261 310 E C -0.280 176.306 176.600 -0.024 0.000 1.076 310 E CA -0.313 56.041 56.400 -0.077 0.000 0.905 310 E CB 0.885 30.544 29.700 -0.069 0.000 0.984 310 E HN 0.563 nan 8.360 nan 0.000 0.427 311 D N 0.296 120.689 120.400 -0.013 0.000 2.399 311 D HA 0.399 5.039 4.640 -0.000 0.000 0.241 311 D C 0.374 176.705 176.300 0.052 0.000 1.133 311 D CA 0.734 54.750 54.000 0.026 0.000 0.890 311 D CB 1.225 42.042 40.800 0.028 0.000 1.201 311 D HN 0.564 nan 8.370 nan 0.000 0.432 312 G N 0.153 109.014 108.800 0.101 0.000 2.352 312 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.302 312 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.302 312 G C 0.412 175.430 174.900 0.196 0.000 1.370 312 G CA -0.817 44.357 45.100 0.124 0.000 0.918 312 G HN 0.396 nan 8.290 nan 0.000 0.610 313 L N -0.047 121.320 121.223 0.240 0.000 2.201 313 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 313 L C 2.944 180.068 176.870 0.423 0.000 1.105 313 L CA 1.285 56.336 54.840 0.352 0.000 0.775 313 L CB -0.256 42.048 42.059 0.410 0.000 0.913 313 L HN 0.638 nan 8.230 nan 0.000 0.440 314 K N 0.050 120.595 120.400 0.240 0.000 2.228 314 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 314 K C 1.674 178.350 176.600 0.127 0.000 1.045 314 K CA 1.219 57.483 56.287 -0.038 0.000 0.931 314 K CB -0.162 32.195 32.500 -0.239 0.000 0.727 314 K HN 0.325 nan 8.250 nan 0.000 0.458 315 N N 1.302 120.123 118.700 0.202 0.000 2.453 315 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 315 N C 1.631 177.352 175.510 0.352 0.000 1.041 315 N CA 0.910 54.110 53.050 0.250 0.000 0.900 315 N CB -0.170 38.455 38.487 0.230 0.000 0.961 315 N HN 0.453 nan 8.380 nan 0.000 0.443 316 I N -2.472 118.306 120.570 0.347 0.000 2.614 316 I HA -0.120 4.050 4.170 -0.000 0.000 0.258 316 I C 1.515 177.758 176.117 0.209 0.000 1.189 316 I CA 0.767 62.227 61.300 0.266 0.000 1.462 316 I CB -0.150 37.913 38.000 0.105 0.000 1.092 316 I HN -0.143 nan 8.210 nan 0.000 0.442 317 I N 2.394 123.124 120.570 0.266 0.000 2.162 317 I HA -0.059 4.111 4.170 -0.000 0.000 0.238 317 I C 0.153 176.513 176.117 0.406 0.000 1.076 317 I CA 1.507 62.988 61.300 0.303 0.000 1.353 317 I CB -2.938 35.298 38.000 0.394 0.000 1.063 317 I HN 0.232 nan 8.210 nan 0.000 0.408 318 P HA -0.118 nan 4.420 nan 0.000 0.217 318 P C 1.567 179.103 177.300 0.394 0.000 1.150 318 P CA 1.930 65.271 63.100 0.402 0.000 0.832 318 P CB 0.006 31.856 31.700 0.250 0.000 0.787 319 A N 0.213 123.203 122.820 0.282 0.000 1.933 319 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 319 A C 2.399 179.966 177.584 -0.027 0.000 1.175 319 A CA 2.101 54.067 52.037 -0.119 0.000 0.628 319 A CB -1.436 17.521 19.000 -0.072 0.000 0.814 319 A HN 0.209 nan 8.150 nan 0.000 0.444 320 S N -1.296 114.444 115.700 0.066 0.000 2.461 320 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 320 S C 1.475 176.068 174.600 -0.012 0.000 1.005 320 S CA 0.635 58.828 58.200 -0.011 0.000 0.942 320 S CB -0.443 62.701 63.200 -0.093 0.000 0.776 320 S HN 0.549 nan 8.310 nan 0.000 0.514 321 F N 1.620 121.618 119.950 0.080 0.000 2.113 321 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 321 F C 2.677 178.537 175.800 0.100 0.000 1.103 321 F CA 1.620 59.672 58.000 0.088 0.000 1.248 321 F CB -0.410 38.660 39.000 0.118 0.000 0.999 321 F HN 0.303 nan 8.300 nan 0.000 0.475 322 H N 0.718 119.918 119.070 0.217 0.000 2.289 322 H HA -0.195 4.361 4.556 0.000 0.000 0.296 322 H C 1.577 176.948 175.328 0.071 0.000 1.091 322 H CA 2.340 58.457 56.048 0.116 0.000 1.274 322 H CB -0.482 29.285 29.762 0.008 0.000 1.364 322 H HN 0.163 nan 8.280 nan 0.000 0.490 323 D N -0.374 120.196 120.400 0.282 0.000 2.178 323 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 323 D C 2.349 178.692 176.300 0.073 0.000 0.974 323 D CA 1.120 55.262 54.000 0.237 0.000 0.841 323 D CB -0.824 40.083 40.800 0.180 0.000 0.953 323 D HN 0.582 nan 8.370 nan 0.000 0.478 324 G N 0.819 109.630 108.800 0.017 0.000 2.418 324 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 324 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 324 G C 1.560 176.452 174.900 -0.014 0.000 1.158 324 G CA 0.415 45.487 45.100 -0.046 0.000 0.771 324 G HN 0.221 nan 8.290 nan 0.000 0.545 325 L N 0.476 121.723 121.223 0.039 0.000 2.046 325 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 325 L C 2.731 179.632 176.870 0.051 0.000 1.077 325 L CA 1.317 56.196 54.840 0.064 0.000 0.747 325 L CB -0.522 41.574 42.059 0.061 0.000 0.896 325 L HN 0.204 nan 8.230 nan 0.000 0.432 326 L N -1.557 119.654 121.223 -0.020 0.000 2.056 326 L HA -0.206 4.134 4.340 -0.000 0.000 0.207 326 L C 2.471 179.204 176.870 -0.228 0.000 1.078 326 L CA 0.953 55.784 54.840 -0.016 0.000 0.749 326 L CB -0.611 41.533 42.059 0.141 0.000 0.901 326 L HN 0.338 nan 8.230 nan 0.000 0.433 327 L N -0.676 120.221 121.223 -0.543 0.000 2.042 327 L HA -0.296 4.044 4.340 -0.000 0.000 0.210 327 L C 2.488 179.145 176.870 -0.355 0.000 1.076 327 L CA 1.901 56.212 54.840 -0.883 0.000 0.749 327 L CB -0.756 40.865 42.059 -0.730 0.000 0.893 327 L HN 0.232 nan 8.230 nan 0.000 0.432 328 Y N -0.876 119.272 120.300 -0.253 0.000 2.114 328 Y HA -0.222 4.328 4.550 -0.000 0.000 0.284 328 Y C 2.332 178.151 175.900 -0.136 0.000 1.143 328 Y CA 2.189 60.198 58.100 -0.152 0.000 1.135 328 Y CB -0.663 37.743 38.460 -0.089 0.000 0.980 328 Y HN -0.014 nan 8.280 nan 0.000 0.499 329 V N 0.773 120.607 119.914 -0.134 0.000 2.317 329 V HA -0.378 3.742 4.120 -0.000 0.000 0.251 329 V C 2.408 178.378 176.094 -0.207 0.000 1.065 329 V CA 2.413 64.604 62.300 -0.182 0.000 1.049 329 V CB -0.831 30.983 31.823 -0.016 0.000 0.651 329 V HN 0.447 nan 8.190 nan 0.000 0.450 330 Q N -0.240 119.462 119.800 -0.164 0.000 2.167 330 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 330 Q C 2.095 178.005 176.000 -0.150 0.000 0.970 330 Q CA 1.900 57.641 55.803 -0.103 0.000 0.855 330 Q CB -0.466 28.250 28.738 -0.036 0.000 0.911 330 Q HN 0.649 nan 8.270 nan 0.000 0.438 331 A N -0.907 121.774 122.820 -0.233 0.000 1.872 331 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 331 A C 2.192 179.613 177.584 -0.271 0.000 1.187 331 A CA 1.409 53.312 52.037 -0.224 0.000 0.614 331 A CB -0.705 18.162 19.000 -0.223 0.000 0.826 331 A HN 0.242 nan 8.150 nan 0.000 0.442 332 V N 0.020 119.680 119.914 -0.424 0.000 2.343 332 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 332 V C 2.704 178.635 176.094 -0.273 0.000 1.051 332 V CA 2.476 64.522 62.300 -0.424 0.000 1.036 332 V CB -1.509 29.944 31.823 -0.616 0.000 0.654 332 V HN 0.587 nan 8.190 nan 0.000 0.451 333 T N -0.066 114.362 114.554 -0.210 0.000 2.652 333 T HA -0.253 4.097 4.350 -0.000 0.000 0.267 333 T C 1.835 176.484 174.700 -0.085 0.000 1.039 333 T CA 1.984 64.015 62.100 -0.115 0.000 1.153 333 T CB -0.323 68.505 68.868 -0.066 0.000 0.863 333 T HN 0.599 nan 8.240 nan 0.000 0.428 334 E N 0.332 120.481 120.200 -0.085 0.000 2.160 334 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 334 E C 2.421 178.979 176.600 -0.071 0.000 0.991 334 E CA 1.385 57.748 56.400 -0.061 0.000 0.810 334 E CB -0.202 29.466 29.700 -0.054 0.000 0.742 334 E HN 0.381 nan 8.360 nan 0.000 0.466 335 T N 0.966 115.455 114.554 -0.107 0.000 2.777 335 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 335 T C 1.880 176.529 174.700 -0.084 0.000 1.040 335 T CA 0.692 62.729 62.100 -0.106 0.000 1.141 335 T CB -0.122 68.659 68.868 -0.146 0.000 0.868 335 T HN 0.076 nan 8.240 nan 0.000 0.444 336 L N 0.861 122.028 121.223 -0.094 0.000 2.046 336 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 336 L C 3.002 179.868 176.870 -0.008 0.000 1.077 336 L CA 1.151 55.966 54.840 -0.043 0.000 0.747 336 L CB -0.632 41.409 42.059 -0.030 0.000 0.896 336 L HN 0.229 nan 8.230 nan 0.000 0.432 337 A N -0.750 122.061 122.820 -0.015 0.000 2.024 337 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 337 A C 1.954 179.535 177.584 -0.005 0.000 1.164 337 A CA 1.522 53.557 52.037 -0.003 0.000 0.643 337 A CB -0.331 18.664 19.000 -0.008 0.000 0.806 337 A HN 0.546 nan 8.150 nan 0.000 0.451 338 Q N -2.049 117.742 119.800 -0.015 0.000 2.189 338 Q HA 0.365 4.705 4.340 -0.000 0.000 0.221 338 Q C 0.858 176.851 176.000 -0.011 0.000 0.848 338 Q CA 0.290 56.084 55.803 -0.014 0.000 1.007 338 Q CB 0.504 29.229 28.738 -0.021 0.000 1.116 338 Q HN 0.808 nan 8.270 nan 0.000 0.481 339 G N -0.262 108.536 108.800 -0.004 0.000 2.175 339 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 339 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 339 G C 0.429 175.328 174.900 -0.001 0.000 0.982 339 G CA -0.296 44.806 45.100 0.003 0.000 0.641 339 G HN 0.532 nan 8.290 nan 0.000 0.527 340 G N -1.265 107.524 108.800 -0.018 0.000 2.563 340 G HA2 0.636 4.596 3.960 -0.000 0.000 0.283 340 G HA3 0.636 4.596 3.960 -0.000 0.000 0.283 340 G C 0.024 174.905 174.900 -0.032 0.000 1.309 340 G CA 0.806 45.887 45.100 -0.031 0.000 1.022 340 G HN 0.828 nan 8.290 nan 0.000 0.501 341 T N -2.514 112.008 114.554 -0.053 0.000 2.888 341 T HA 0.330 4.680 4.350 -0.000 0.000 0.288 341 T C 1.582 176.172 174.700 -0.184 0.000 1.063 341 T CA 0.187 62.240 62.100 -0.078 0.000 1.010 341 T CB 1.387 70.254 68.868 -0.001 0.000 1.214 341 T HN 0.927 nan 8.240 nan 0.000 0.533 342 V N 0.548 120.262 119.914 -0.333 0.000 2.867 342 V HA 0.050 4.170 4.120 -0.000 0.000 0.260 342 V C 1.847 177.831 176.094 -0.183 0.000 1.099 342 V CA 2.182 64.243 62.300 -0.398 0.000 1.122 342 V CB -1.696 29.690 31.823 -0.729 0.000 0.708 342 V HN 0.992 nan 8.190 nan 0.000 0.490 343 T N -3.645 110.843 114.554 -0.110 0.000 3.086 343 T HA 0.153 4.503 4.350 -0.000 0.000 0.250 343 T C 0.389 175.073 174.700 -0.028 0.000 1.074 343 T CA 0.063 62.141 62.100 -0.037 0.000 0.988 343 T CB -0.433 68.429 68.868 -0.010 0.000 0.988 343 T HN 0.451 nan 8.240 nan 0.000 0.530 344 D N 2.507 122.874 120.400 -0.054 0.000 2.600 344 D HA 0.242 4.882 4.640 -0.000 0.000 0.226 344 D C 1.654 177.922 176.300 -0.053 0.000 1.119 344 D CA 0.000 53.969 54.000 -0.051 0.000 1.051 344 D CB 0.230 40.992 40.800 -0.064 0.000 1.106 344 D HN 0.466 nan 8.370 nan 0.000 0.491 345 G N 1.543 110.328 108.800 -0.025 0.000 2.513 345 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 345 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 345 G C 1.495 176.349 174.900 -0.076 0.000 1.160 345 G CA 0.669 45.758 45.100 -0.017 0.000 0.767 345 G HN 0.293 nan 8.290 nan 0.000 0.571 346 E N 0.658 120.802 120.200 -0.093 0.000 2.072 346 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 346 E C 2.552 179.053 176.600 -0.166 0.000 0.985 346 E CA 0.913 57.225 56.400 -0.146 0.000 0.801 346 E CB -0.185 29.447 29.700 -0.114 0.000 0.750 346 E HN 0.382 nan 8.360 nan 0.000 0.452 347 N N 0.180 118.807 118.700 -0.121 0.000 2.120 347 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 347 N C 1.928 177.357 175.510 -0.135 0.000 1.024 347 N CA 1.036 54.016 53.050 -0.117 0.000 0.852 347 N CB -0.084 38.349 38.487 -0.090 0.000 1.003 347 N HN 0.178 nan 8.380 nan 0.000 0.424 348 I N 0.914 121.404 120.570 -0.133 0.000 2.202 348 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 348 I C 2.233 178.262 176.117 -0.146 0.000 1.091 348 I CA 1.041 62.256 61.300 -0.141 0.000 1.368 348 I CB -0.442 37.484 38.000 -0.124 0.000 1.058 348 I HN 0.054 nan 8.210 nan 0.000 0.410 349 T N -0.162 114.278 114.554 -0.189 0.000 2.746 349 T HA -0.226 4.124 4.350 -0.000 0.000 0.267 349 T C 1.912 176.301 174.700 -0.518 0.000 1.039 349 T CA 1.139 63.040 62.100 -0.332 0.000 1.142 349 T CB -0.211 68.386 68.868 -0.453 0.000 0.866 349 T HN 0.316 nan 8.240 nan 0.000 0.444 350 Q N 0.701 120.239 119.800 -0.437 0.000 2.234 350 Q HA -0.060 4.280 4.340 -0.000 0.000 0.206 350 Q C 2.202 178.122 176.000 -0.133 0.000 0.980 350 Q CA 1.182 56.795 55.803 -0.317 0.000 0.869 350 Q CB -0.071 28.536 28.738 -0.219 0.000 0.912 350 Q HN 0.467 nan 8.270 nan 0.000 0.436 351 R N -1.010 119.420 120.500 -0.117 0.000 2.276 351 R HA 0.079 4.419 4.340 -0.000 0.000 0.203 351 R C 1.965 178.254 176.300 -0.019 0.000 1.017 351 R CA 0.432 56.497 56.100 -0.059 0.000 1.010 351 R CB 0.153 30.404 30.300 -0.082 0.000 0.900 351 R HN 0.280 nan 8.270 nan 0.000 0.469 352 M N -1.242 118.365 119.600 0.012 0.000 2.545 352 M HA 0.049 4.529 4.480 -0.000 0.000 0.264 352 M C -0.228 176.234 176.300 0.269 0.000 1.155 352 M CA 0.468 55.832 55.300 0.106 0.000 1.162 352 M CB 0.287 32.976 32.600 0.147 0.000 1.330 352 M HN -0.019 nan 8.290 nan 0.000 0.479 353 W N 1.565 122.841 121.300 -0.040 0.000 2.237 353 W HA 0.216 4.876 4.660 0.000 0.000 0.335 353 W C 0.976 177.481 176.519 -0.024 0.000 1.230 353 W CA -0.978 56.347 57.345 -0.032 0.000 1.253 353 W CB -0.386 29.060 29.460 -0.023 0.000 1.129 353 W HN 0.304 nan 8.180 nan 0.000 0.590 354 N N 1.015 119.815 118.700 0.167 0.000 2.721 354 N HA -0.279 4.461 4.740 -0.000 0.000 0.249 354 N C -0.513 175.042 175.510 0.074 0.000 1.072 354 N CA 1.118 54.224 53.050 0.093 0.000 0.710 354 N CB -0.599 37.950 38.487 0.103 0.000 0.993 354 N HN 0.561 nan 8.380 nan 0.000 0.547 355 R N -0.112 120.424 120.500 0.061 0.000 2.621 355 R HA 0.547 4.887 4.340 -0.000 0.000 0.284 355 R C -0.706 175.606 176.300 0.019 0.000 0.998 355 R CA -0.185 55.947 56.100 0.052 0.000 0.895 355 R CB 1.099 31.435 30.300 0.060 0.000 1.195 355 R HN 0.260 nan 8.270 nan 0.000 0.450 356 S N 2.576 118.289 115.700 0.021 0.000 2.672 356 S HA 0.690 5.160 4.470 -0.000 0.000 0.276 356 S C -0.630 174.012 174.600 0.071 0.000 1.207 356 S CA -0.587 57.574 58.200 -0.064 0.000 1.002 356 S CB 1.371 64.525 63.200 -0.077 0.000 0.998 356 S HN 0.470 nan 8.310 nan 0.000 0.542 357 F N 0.074 119.892 119.950 -0.219 0.000 2.713 357 F HA 0.574 5.101 4.527 -0.000 0.000 0.311 357 F C -1.510 174.215 175.800 -0.125 0.000 1.141 357 F CA -0.632 57.294 58.000 -0.122 0.000 0.939 357 F CB 1.999 40.942 39.000 -0.096 0.000 1.325 357 F HN 0.643 nan 8.300 nan 0.000 0.453 358 Q N 2.032 121.298 119.800 -0.889 0.000 2.325 358 Q HA 0.730 5.070 4.340 -0.000 0.000 0.270 358 Q C -0.797 174.816 176.000 -0.644 0.000 1.020 358 Q CA -0.237 55.238 55.803 -0.547 0.000 0.785 358 Q CB 1.824 30.337 28.738 -0.375 0.000 1.259 358 Q HN 1.016 nan 8.270 nan 0.000 0.452 359 G N 0.321 108.985 108.800 -0.227 0.000 2.782 359 G HA2 0.373 4.333 3.960 -0.000 0.000 0.304 359 G HA3 0.373 4.333 3.960 -0.000 0.000 0.304 359 G C 0.204 175.083 174.900 -0.034 0.000 1.315 359 G CA -0.231 44.838 45.100 -0.051 0.000 0.791 359 G HN 0.753 nan 8.290 nan 0.000 0.519 360 V N -1.559 118.318 119.914 -0.062 0.000 2.594 360 V HA -0.021 4.099 4.120 -0.000 0.000 0.253 360 V C 2.285 178.393 176.094 0.025 0.000 1.069 360 V CA 2.597 64.832 62.300 -0.107 0.000 1.082 360 V CB -1.246 30.301 31.823 -0.460 0.000 0.680 360 V HN 0.966 nan 8.190 nan 0.000 0.469 361 T N -2.389 112.151 114.554 -0.024 0.000 3.252 361 T HA 0.505 4.855 4.350 -0.000 0.000 0.250 361 T C 1.158 175.816 174.700 -0.070 0.000 1.123 361 T CA 0.719 62.782 62.100 -0.063 0.000 1.006 361 T CB -0.648 68.161 68.868 -0.098 0.000 0.992 361 T HN 1.707 nan 8.240 nan 0.000 0.547 362 G N 1.379 110.165 108.800 -0.022 0.000 2.512 362 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.240 362 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.240 362 G C -0.423 174.491 174.900 0.024 0.000 1.246 362 G CA -0.352 44.751 45.100 0.005 0.000 0.919 362 G HN 0.776 nan 8.290 nan 0.000 0.577 363 Y N 1.361 121.622 120.300 -0.065 0.000 2.511 363 Y HA 0.498 5.048 4.550 -0.000 0.000 0.332 363 Y C 0.480 176.357 175.900 -0.038 0.000 1.177 363 Y CA 0.435 58.503 58.100 -0.053 0.000 1.422 363 Y CB 0.435 38.864 38.460 -0.051 0.000 1.271 363 Y HN 1.127 nan 8.280 nan 0.000 0.550 364 L N 4.356 125.190 121.223 -0.648 0.000 2.445 364 L HA 0.705 5.045 4.340 -0.000 0.000 0.262 364 L C -1.728 174.726 176.870 -0.694 0.000 0.974 364 L CA -1.194 53.333 54.840 -0.521 0.000 0.822 364 L CB 2.154 44.102 42.059 -0.186 0.000 1.339 364 L HN 0.554 nan 8.230 nan 0.000 0.409 365 K N 3.439 123.559 120.400 -0.466 0.000 2.345 365 K HA 0.701 5.021 4.320 -0.000 0.000 0.255 365 K C -1.390 175.123 176.600 -0.145 0.000 0.934 365 K CA -0.497 55.626 56.287 -0.274 0.000 0.801 365 K CB 1.384 33.819 32.500 -0.110 0.000 1.137 365 K HN 0.711 nan 8.250 nan 0.000 0.424 366 I N 4.692 125.197 120.570 -0.108 0.000 2.315 366 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 366 I C 0.246 176.302 176.117 -0.101 0.000 1.006 366 I CA -0.648 60.582 61.300 -0.117 0.000 1.265 366 I CB 0.729 38.676 38.000 -0.088 0.000 1.387 366 I HN 0.852 nan 8.210 nan 0.000 0.475 367 D N 6.401 126.717 120.400 -0.140 0.000 2.393 367 D HA 0.060 4.700 4.640 -0.000 0.000 0.246 367 D C 0.820 177.042 176.300 -0.129 0.000 1.275 367 D CA -0.308 53.627 54.000 -0.108 0.000 0.979 367 D CB 0.616 41.354 40.800 -0.103 0.000 1.101 367 D HN 0.400 nan 8.370 nan 0.000 0.505 368 R N -0.970 119.493 120.500 -0.061 0.000 2.328 368 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 368 R C 0.732 176.994 176.300 -0.064 0.000 1.056 368 R CA 0.735 56.839 56.100 0.007 0.000 1.016 368 R CB -0.521 29.802 30.300 0.038 0.000 0.872 368 R HN 0.430 nan 8.270 nan 0.000 0.471 369 N N -0.330 118.201 118.700 -0.281 0.000 2.203 369 N HA 0.054 4.794 4.740 -0.000 0.000 0.207 369 N C 0.402 175.234 175.510 -1.130 0.000 1.130 369 N CA 0.590 53.355 53.050 -0.475 0.000 0.861 369 N CB 0.964 39.290 38.487 -0.269 0.000 1.005 369 N HN 0.216 nan 8.380 nan 0.000 0.507 370 G N 0.228 108.174 108.800 -1.423 0.000 2.143 370 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 370 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 370 G C -0.995 173.418 174.900 -0.812 0.000 0.991 370 G CA 0.173 44.111 45.100 -1.936 0.000 0.689 370 G HN 0.404 nan 8.290 nan 0.000 0.522 371 D N -0.271 119.812 120.400 -0.528 0.000 2.375 371 D HA 0.377 5.017 4.640 -0.000 0.000 0.247 371 D C 0.561 176.720 176.300 -0.236 0.000 1.061 371 D CA -0.657 53.147 54.000 -0.325 0.000 0.834 371 D CB 1.299 41.941 40.800 -0.264 0.000 1.247 371 D HN 0.328 nan 8.370 nan 0.000 0.489 372 R N 1.683 122.061 120.500 -0.203 0.000 2.570 372 R HA -0.013 4.327 4.340 -0.000 0.000 0.277 372 R C -0.628 175.599 176.300 -0.122 0.000 1.039 372 R CA -0.172 55.831 56.100 -0.163 0.000 1.065 372 R CB 0.393 30.590 30.300 -0.172 0.000 0.964 372 R HN 0.280 nan 8.270 nan 0.000 0.428 373 D N 2.752 123.099 120.400 -0.087 0.000 2.425 373 D HA 0.073 4.713 4.640 -0.000 0.000 0.247 373 D C -0.525 175.743 176.300 -0.052 0.000 1.147 373 D CA 0.650 54.631 54.000 -0.030 0.000 0.879 373 D CB 1.286 42.089 40.800 0.004 0.000 1.179 373 D HN 0.408 nan 8.370 nan 0.000 0.456 374 T N 2.501 117.049 114.554 -0.010 0.000 2.797 374 T HA 0.295 4.645 4.350 -0.000 0.000 0.279 374 T C -0.304 174.332 174.700 -0.107 0.000 0.991 374 T CA -0.928 61.088 62.100 -0.140 0.000 0.979 374 T CB 1.367 70.115 68.868 -0.199 0.000 0.943 374 T HN 0.109 nan 8.240 nan 0.000 0.444 375 D N 1.714 121.972 120.400 -0.236 0.000 2.193 375 D HA 0.563 5.203 4.640 -0.000 0.000 0.249 375 D C -0.601 175.517 176.300 -0.303 0.000 1.034 375 D CA -0.158 53.778 54.000 -0.108 0.000 0.902 375 D CB 1.008 41.759 40.800 -0.080 0.000 1.182 375 D HN 0.318 nan 8.370 nan 0.000 0.436 376 F N -0.142 119.864 119.950 0.092 0.000 2.577 376 F HA 0.398 4.925 4.527 -0.000 0.000 0.318 376 F C 0.449 176.178 175.800 -0.118 0.000 1.065 376 F CA -0.736 57.185 58.000 -0.130 0.000 0.929 376 F CB 1.829 40.421 39.000 -0.679 0.000 1.237 376 F HN -0.005 nan 8.300 nan 0.000 0.468 377 S N 1.984 117.742 115.700 0.098 0.000 2.537 377 S HA 0.659 5.129 4.470 -0.000 0.000 0.301 377 S C -1.448 173.252 174.600 0.166 0.000 1.092 377 S CA -0.554 57.698 58.200 0.087 0.000 1.048 377 S CB 1.832 65.050 63.200 0.029 0.000 1.053 377 S HN 0.481 nan 8.310 nan 0.000 0.501 378 L N 3.064 124.408 121.223 0.202 0.000 2.280 378 L HA 0.610 4.950 4.340 -0.000 0.000 0.287 378 L C -1.814 175.216 176.870 0.267 0.000 1.023 378 L CA -0.294 54.765 54.840 0.366 0.000 0.819 378 L CB 0.260 42.598 42.059 0.465 0.000 1.212 378 L HN 0.667 nan 8.230 nan 0.000 0.420 379 W N 4.309 125.771 121.300 0.269 0.000 2.417 379 W HA 0.536 5.196 4.660 -0.000 0.000 0.317 379 W C 0.044 176.775 176.519 0.353 0.000 1.121 379 W CA -0.167 57.356 57.345 0.297 0.000 1.208 379 W CB 1.021 30.695 29.460 0.356 0.000 1.253 379 W HN 0.448 nan 8.180 nan 0.000 0.533 380 D N 1.712 122.292 120.400 0.301 0.000 2.523 380 D HA 0.357 4.997 4.640 -0.000 0.000 0.236 380 D C -0.993 174.903 176.300 -0.673 0.000 1.094 380 D CA -1.002 52.941 54.000 -0.094 0.000 0.942 380 D CB 2.067 42.808 40.800 -0.099 0.000 1.447 380 D HN 0.379 nan 8.370 nan 0.000 0.479 381 M N 1.670 120.705 119.600 -0.941 0.000 2.185 381 M HA 0.173 4.653 4.480 -0.000 0.000 0.357 381 M C -0.471 175.482 176.300 -0.577 0.000 1.260 381 M CA -0.325 54.400 55.300 -0.959 0.000 1.124 381 M CB 0.735 32.887 32.600 -0.745 0.000 1.600 381 M HN 0.130 nan 8.290 nan 0.000 0.467 382 D N 6.700 126.861 120.400 -0.398 0.000 2.325 382 D HA 0.221 4.861 4.640 -0.000 0.000 0.251 382 D C -2.017 174.084 176.300 -0.332 0.000 1.196 382 D CA -2.020 51.807 54.000 -0.288 0.000 0.866 382 D CB 1.430 42.151 40.800 -0.132 0.000 1.101 382 D HN 0.371 nan 8.370 nan 0.000 0.476 383 P HA -0.067 nan 4.420 nan 0.000 0.221 383 P C 0.751 177.944 177.300 -0.179 0.000 1.150 383 P CA 0.934 63.777 63.100 -0.429 0.000 0.800 383 P CB 0.417 31.886 31.700 -0.386 0.000 0.787 384 E N -0.334 119.803 120.200 -0.105 0.000 2.015 384 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 384 E C 1.857 178.446 176.600 -0.018 0.000 0.991 384 E CA 2.007 58.383 56.400 -0.041 0.000 0.802 384 E CB -0.878 28.815 29.700 -0.012 0.000 0.759 384 E HN 0.350 nan 8.360 nan 0.000 0.447 385 T N -3.357 111.197 114.554 -0.000 0.000 3.037 385 T HA 0.285 4.635 4.350 -0.000 0.000 0.252 385 T C 1.676 176.457 174.700 0.135 0.000 1.073 385 T CA 0.498 62.637 62.100 0.065 0.000 1.091 385 T CB 0.656 69.571 68.868 0.079 0.000 0.935 385 T HN 0.367 nan 8.240 nan 0.000 0.488 386 G N 1.631 110.478 108.800 0.078 0.000 2.179 386 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.260 386 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.260 386 G C 0.384 175.567 174.900 0.471 0.000 0.977 386 G CA 0.044 45.256 45.100 0.186 0.000 0.641 386 G HN 1.203 nan 8.290 nan 0.000 0.533 387 A N -0.308 122.699 122.820 0.311 0.000 2.425 387 A HA 0.669 4.989 4.320 -0.000 0.000 0.242 387 A C -0.124 177.641 177.584 0.302 0.000 1.077 387 A CA 0.152 52.383 52.037 0.324 0.000 0.781 387 A CB 0.275 19.386 19.000 0.186 0.000 1.020 387 A HN 0.636 nan 8.150 nan 0.000 0.494 388 F N 1.489 121.564 119.950 0.208 0.000 2.422 388 F HA 0.640 5.167 4.527 -0.000 0.000 0.333 388 F C 1.019 177.043 175.800 0.373 0.000 1.095 388 F CA -0.093 58.079 58.000 0.288 0.000 1.038 388 F CB 1.577 40.786 39.000 0.348 0.000 1.156 388 F HN 0.707 nan 8.300 nan 0.000 0.483 389 R N 1.441 122.163 120.500 0.370 0.000 2.739 389 R HA 0.563 4.903 4.340 -0.000 0.000 0.271 389 R C -2.017 174.144 176.300 -0.231 0.000 1.010 389 R CA -0.817 55.348 56.100 0.108 0.000 0.897 389 R CB 0.589 30.853 30.300 -0.059 0.000 1.236 389 R HN 0.344 nan 8.270 nan 0.000 0.466 390 V N 2.555 122.009 119.914 -0.767 0.000 2.493 390 V HA -0.012 4.108 4.120 -0.000 0.000 0.292 390 V C 1.542 177.472 176.094 -0.273 0.000 1.016 390 V CA 0.483 62.358 62.300 -0.708 0.000 1.097 390 V CB 0.830 32.200 31.823 -0.754 0.000 0.947 390 V HN 0.690 nan 8.190 nan 0.000 0.479 391 V N 2.937 122.767 119.914 -0.139 0.000 3.572 391 V HA 0.479 4.599 4.120 -0.000 0.000 0.260 391 V C 0.300 176.428 176.094 0.057 0.000 1.324 391 V CA 0.289 62.578 62.300 -0.017 0.000 1.068 391 V CB 0.247 32.047 31.823 -0.037 0.000 0.837 391 V HN 0.518 nan 8.190 nan 0.000 0.450 392 L N 1.819 123.084 121.223 0.070 0.000 2.431 392 L HA 0.654 4.994 4.340 -0.000 0.000 0.266 392 L C -1.309 175.650 176.870 0.150 0.000 0.978 392 L CA -0.327 54.597 54.840 0.140 0.000 0.822 392 L CB 2.371 44.563 42.059 0.222 0.000 1.310 392 L HN 0.219 nan 8.230 nan 0.000 0.409 393 N N 1.807 120.601 118.700 0.157 0.000 2.314 393 N HA 0.371 5.111 4.740 -0.000 0.000 0.304 393 N C -1.650 174.026 175.510 0.278 0.000 1.073 393 N CA -0.368 52.781 53.050 0.164 0.000 0.822 393 N CB 2.684 41.214 38.487 0.071 0.000 1.280 393 N HN 0.380 nan 8.380 nan 0.000 0.489 394 Y N 1.618 122.027 120.300 0.182 0.000 2.341 394 Y HA 0.342 4.892 4.550 0.000 0.000 0.338 394 Y C -0.588 175.420 175.900 0.179 0.000 0.965 394 Y CA -0.891 57.362 58.100 0.256 0.000 1.108 394 Y CB 0.920 39.674 38.460 0.490 0.000 1.180 394 Y HN 0.392 nan 8.280 nan 0.000 0.458 395 N N 3.645 122.065 118.700 -0.466 0.000 2.426 395 N HA 0.187 4.927 4.740 -0.000 0.000 0.257 395 N C 0.782 175.863 175.510 -0.716 0.000 1.002 395 N CA 0.513 53.313 53.050 -0.415 0.000 0.942 395 N CB 1.765 40.115 38.487 -0.228 0.000 1.112 395 N HN 1.098 nan 8.380 nan 0.000 0.499 396 G N 2.200 110.757 108.800 -0.404 0.000 2.509 396 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 396 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 396 G C 1.001 175.853 174.900 -0.080 0.000 1.124 396 G CA 0.880 45.866 45.100 -0.191 0.000 0.776 396 G HN 0.590 nan 8.290 nan 0.000 0.547 397 T N 0.689 115.202 114.554 -0.069 0.000 2.925 397 T HA -0.048 4.302 4.350 -0.000 0.000 0.245 397 T C 2.877 177.560 174.700 -0.027 0.000 1.025 397 T CA 1.377 63.481 62.100 0.008 0.000 1.149 397 T CB -0.223 68.711 68.868 0.111 0.000 0.866 397 T HN 0.455 nan 8.240 nan 0.000 0.437 398 S N 1.250 116.902 115.700 -0.081 0.000 2.428 398 S HA -0.087 4.383 4.470 -0.000 0.000 0.230 398 S C 1.042 175.613 174.600 -0.048 0.000 1.014 398 S CA 0.563 58.723 58.200 -0.066 0.000 0.957 398 S CB -0.449 62.699 63.200 -0.086 0.000 0.784 398 S HN 0.552 nan 8.310 nan 0.000 0.499 399 Q N -0.141 119.590 119.800 -0.115 0.000 2.489 399 Q HA -0.172 4.168 4.340 -0.000 0.000 0.259 399 Q C -0.883 175.193 176.000 0.127 0.000 0.934 399 Q CA 0.981 56.800 55.803 0.026 0.000 1.131 399 Q CB -2.057 26.773 28.738 0.152 0.000 1.472 399 Q HN 0.764 nan 8.270 nan 0.000 0.560 400 E N 0.489 120.686 120.200 -0.006 0.000 2.216 400 E HA 0.497 4.847 4.350 -0.000 0.000 0.279 400 E C -0.366 176.333 176.600 0.165 0.000 0.997 400 E CA -0.448 55.996 56.400 0.073 0.000 0.817 400 E CB 0.999 30.706 29.700 0.012 0.000 1.096 400 E HN 0.133 nan 8.360 nan 0.000 0.393 401 L N 3.704 125.054 121.223 0.212 0.000 2.289 401 L HA 0.421 4.761 4.340 -0.000 0.000 0.285 401 L C -0.308 176.645 176.870 0.138 0.000 1.049 401 L CA -0.181 54.802 54.840 0.238 0.000 0.804 401 L CB 0.700 42.886 42.059 0.211 0.000 1.195 401 L HN 0.441 nan 8.230 nan 0.000 0.428 402 M N 2.816 122.494 119.600 0.130 0.000 2.259 402 M HA 0.520 5.000 4.480 -0.000 0.000 0.304 402 M C -0.081 176.269 176.300 0.084 0.000 1.019 402 M CA -0.229 55.119 55.300 0.080 0.000 0.922 402 M CB 2.188 34.816 32.600 0.047 0.000 1.600 402 M HN 0.669 nan 8.290 nan 0.000 0.433 403 A N 2.861 125.722 122.820 0.070 0.000 2.406 403 A HA 0.597 4.917 4.320 -0.000 0.000 0.243 403 A C -0.516 177.100 177.584 0.054 0.000 1.082 403 A CA -0.386 51.694 52.037 0.072 0.000 0.786 403 A CB 0.339 19.378 19.000 0.066 0.000 1.029 403 A HN 0.637 nan 8.150 nan 0.000 0.495 404 V N 1.112 121.068 119.914 0.070 0.000 2.487 404 V HA 0.449 4.569 4.120 -0.000 0.000 0.298 404 V C 0.405 176.515 176.094 0.028 0.000 1.028 404 V CA 0.292 62.624 62.300 0.054 0.000 0.860 404 V CB 0.944 32.804 31.823 0.062 0.000 0.991 404 V HN 1.346 nan 8.190 nan 0.000 0.427 405 S N 3.348 119.009 115.700 -0.064 0.000 3.641 405 S HA -0.185 4.285 4.470 -0.000 0.000 0.346 405 S C 0.826 175.237 174.600 -0.315 0.000 1.074 405 S CA 1.064 59.141 58.200 -0.205 0.000 1.026 405 S CB -1.145 61.879 63.200 -0.293 0.000 0.908 405 S HN 1.263 nan 8.310 nan 0.000 0.479 406 E N -1.924 118.188 120.200 -0.148 0.000 3.370 406 E HA -0.233 4.117 4.350 -0.000 0.000 0.291 406 E C 0.071 176.624 176.600 -0.077 0.000 0.916 406 E CA 1.646 57.985 56.400 -0.102 0.000 0.981 406 E CB -1.611 28.029 29.700 -0.101 0.000 1.498 406 E HN 0.966 nan 8.360 nan 0.000 0.452 407 H N -0.026 119.046 119.070 0.004 0.000 2.771 407 H HA 0.337 4.893 4.556 -0.000 0.000 0.364 407 H C 0.500 175.838 175.328 0.016 0.000 1.133 407 H CA 0.251 56.301 56.048 0.004 0.000 1.423 407 H CB 0.758 30.513 29.762 -0.011 0.000 1.425 407 H HN -0.056 nan 8.280 nan 0.000 0.606 408 K N 1.496 121.999 120.400 0.172 0.000 2.385 408 K HA 0.271 4.591 4.320 -0.000 0.000 0.248 408 K C -1.091 175.537 176.600 0.046 0.000 0.955 408 K CA -1.063 55.288 56.287 0.106 0.000 0.816 408 K CB 1.942 34.505 32.500 0.105 0.000 1.250 408 K HN 0.177 nan 8.250 nan 0.000 0.434 409 L N 2.331 123.556 121.223 0.003 0.000 2.490 409 L HA -0.001 4.339 4.340 -0.000 0.000 0.274 409 L C -0.360 176.276 176.870 -0.391 0.000 1.201 409 L CA 0.471 55.193 54.840 -0.197 0.000 0.869 409 L CB -0.328 41.621 42.059 -0.182 0.000 1.123 409 L HN 0.430 nan 8.230 nan 0.000 0.484 410 Y N 3.157 123.096 120.300 -0.602 0.000 2.336 410 Y HA 0.366 4.916 4.550 -0.000 0.000 0.335 410 Y C -1.116 174.357 175.900 -0.712 0.000 1.046 410 Y CA -0.884 56.925 58.100 -0.486 0.000 1.198 410 Y CB 0.474 38.747 38.460 -0.312 0.000 1.182 410 Y HN 0.472 nan 8.280 nan 0.000 0.502 411 W N 8.744 129.622 121.300 -0.702 0.000 2.619 411 W HA 0.369 5.029 4.660 -0.000 0.000 0.327 411 W C -1.874 174.129 176.519 -0.861 0.000 1.027 411 W CA -2.054 54.910 57.345 -0.636 0.000 1.233 411 W CB 1.658 30.943 29.460 -0.291 0.000 1.370 411 W HN 0.471 nan 8.180 nan 0.000 0.453 412 P HA -0.156 nan 4.420 nan 0.000 0.218 412 P C 0.309 177.520 177.300 -0.147 0.000 1.146 412 P CA 1.531 64.439 63.100 -0.321 0.000 0.813 412 P CB 0.299 31.955 31.700 -0.073 0.000 0.778 413 L N -2.844 118.282 121.223 -0.160 0.000 2.861 413 L HA 0.428 4.768 4.340 -0.000 0.000 0.290 413 L C 1.059 177.806 176.870 -0.205 0.000 1.346 413 L CA -0.018 54.737 54.840 -0.143 0.000 0.779 413 L CB 0.426 42.401 42.059 -0.139 0.000 1.143 413 L HN 0.122 nan 8.230 nan 0.000 0.548 414 G N 0.344 109.096 108.800 -0.081 0.000 2.490 414 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.214 414 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.214 414 G C -0.171 174.830 174.900 0.168 0.000 1.151 414 G CA 0.328 45.463 45.100 0.057 0.000 0.684 414 G HN 0.413 nan 8.290 nan 0.000 0.518 415 Y N -0.375 119.894 120.300 -0.052 0.000 2.644 415 Y HA 0.815 5.365 4.550 -0.000 0.000 0.338 415 Y C -2.750 172.617 175.900 -0.889 0.000 1.119 415 Y CA -2.548 55.342 58.100 -0.350 0.000 1.060 415 Y CB 0.574 38.893 38.460 -0.234 0.000 1.294 415 Y HN 0.151 nan 8.280 nan 0.000 0.472 416 P HA 0.124 nan 4.420 nan 0.000 0.268 416 P C -2.600 174.404 177.300 -0.495 0.000 1.205 416 P CA -0.885 61.314 63.100 -1.502 0.000 0.771 416 P CB 0.545 31.619 31.700 -1.044 0.000 0.858 417 P HA 0.165 nan 4.420 nan 0.000 0.269 417 P C -2.363 174.930 177.300 -0.011 0.000 1.209 417 P CA -1.454 61.539 63.100 -0.178 0.000 0.776 417 P CB -0.858 30.709 31.700 -0.222 0.000 0.876 418 P HA 0.049 nan 4.420 nan 0.000 0.274 418 P C 0.354 177.582 177.300 -0.120 0.000 1.231 418 P CA 0.066 63.176 63.100 0.016 0.000 0.790 418 P CB 0.579 32.258 31.700 -0.034 0.000 0.951 419 D N 0.512 120.872 120.400 -0.066 0.000 2.347 419 D HA -0.024 4.616 4.640 -0.000 0.000 0.213 419 D C 0.180 176.443 176.300 -0.062 0.000 0.985 419 D CA 0.553 54.447 54.000 -0.176 0.000 0.879 419 D CB -0.247 40.458 40.800 -0.159 0.000 0.919 419 D HN 0.061 nan 8.370 nan 0.000 0.526 420 V N 1.414 121.239 119.914 -0.149 0.000 2.495 420 V HA 0.373 4.493 4.120 -0.000 0.000 0.298 420 V C -2.282 173.530 176.094 -0.470 0.000 1.031 420 V CA -1.802 60.273 62.300 -0.375 0.000 0.871 420 V CB 1.872 33.520 31.823 -0.292 0.000 0.988 420 V HN -0.091 nan 8.190 nan 0.000 0.432 421 P HA 0.161 nan 4.420 nan 0.000 0.270 421 P C 0.823 177.924 177.300 -0.331 0.000 1.223 421 P CA -0.359 62.455 63.100 -0.478 0.000 0.785 421 P CB 0.799 32.180 31.700 -0.531 0.000 0.923 422 K N 0.790 121.054 120.400 -0.227 0.000 2.089 422 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 422 K C 0.425 176.935 176.600 -0.149 0.000 1.048 422 K CA 1.818 58.010 56.287 -0.159 0.000 0.926 422 K CB -0.363 32.069 32.500 -0.115 0.000 0.714 422 K HN 0.434 nan 8.250 nan 0.000 0.448 423 c N 0.845 119.351 118.600 -0.157 0.000 2.668 423 c HA 0.417 4.987 4.570 -0.000 0.000 0.301 423 c C 0.476 174.486 174.090 -0.133 0.000 1.351 423 c CA -0.266 55.990 56.329 -0.121 0.000 1.757 423 c CB -0.997 41.460 42.510 -0.088 0.000 2.179 423 c HN 0.787 nan 8.230 nan 0.000 0.586 424 G N 0.384 109.061 108.800 -0.206 0.000 2.828 424 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.463 424 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.463 424 G C -0.014 174.737 174.900 -0.249 0.000 1.394 424 G CA -0.339 44.637 45.100 -0.207 0.000 0.862 424 G HN 0.216 nan 8.290 nan 0.000 0.540 425 F N 0.159 120.076 119.950 -0.055 0.000 2.293 425 F HA 0.167 4.694 4.527 0.000 0.000 0.297 425 F C 1.706 177.489 175.800 -0.027 0.000 1.089 425 F CA 1.495 59.470 58.000 -0.042 0.000 1.377 425 F CB 0.338 39.317 39.000 -0.034 0.000 1.051 425 F HN 0.288 nan 8.300 nan 0.000 0.511 426 D N 0.326 120.808 120.400 0.136 0.000 2.683 426 D HA 0.036 4.676 4.640 -0.000 0.000 0.309 426 D C -0.682 175.635 176.300 0.029 0.000 1.238 426 D CA -0.198 53.846 54.000 0.074 0.000 0.936 426 D CB -0.227 40.613 40.800 0.066 0.000 1.001 426 D HN -0.002 nan 8.370 nan 0.000 0.505 427 N N 1.304 120.007 118.700 0.005 0.000 2.412 427 N HA -0.081 4.659 4.740 -0.000 0.000 0.279 427 N C 0.427 175.934 175.510 -0.006 0.000 1.287 427 N CA 0.562 53.604 53.050 -0.014 0.000 0.948 427 N CB 0.398 38.865 38.487 -0.033 0.000 1.255 427 N HN 0.170 nan 8.380 nan 0.000 0.485 428 E N 1.033 121.231 120.200 -0.004 0.000 2.538 428 E HA 0.071 4.421 4.350 -0.000 0.000 0.207 428 E C -0.902 175.694 176.600 -0.006 0.000 1.002 428 E CA -0.170 56.228 56.400 -0.002 0.000 0.952 428 E CB 0.379 30.081 29.700 0.003 0.000 1.031 428 E HN 0.506 nan 8.360 nan 0.000 0.476 429 D N 1.021 121.413 120.400 -0.012 0.000 2.411 429 D HA 0.064 4.704 4.640 -0.000 0.000 0.225 429 D C -1.837 174.454 176.300 -0.015 0.000 1.156 429 D CA -2.110 51.882 54.000 -0.014 0.000 0.874 429 D CB 1.342 42.131 40.800 -0.019 0.000 1.034 429 D HN -0.055 nan 8.370 nan 0.000 0.502 430 P HA -0.056 nan 4.420 nan 0.000 0.222 430 P C 0.836 178.128 177.300 -0.013 0.000 1.147 430 P CA 0.606 63.699 63.100 -0.011 0.000 0.790 430 P CB 0.327 32.022 31.700 -0.009 0.000 0.780 431 A N -1.686 121.126 122.820 -0.014 0.000 2.119 431 A HA -0.033 4.287 4.320 -0.000 0.000 0.216 431 A C 1.101 178.673 177.584 -0.020 0.000 1.152 431 A CA 0.242 52.270 52.037 -0.016 0.000 0.708 431 A CB -1.091 17.900 19.000 -0.014 0.000 0.805 431 A HN 0.307 nan 8.150 nan 0.000 0.460 432 c N 1.561 120.147 118.600 -0.023 0.000 2.373 432 c HA 0.446 5.016 4.570 -0.000 0.000 0.354 432 c C 0.257 174.328 174.090 -0.032 0.000 1.249 432 c CA -0.922 55.388 56.329 -0.031 0.000 1.784 432 c CB -1.332 41.156 42.510 -0.037 0.000 2.408 432 c HN 0.514 nan 8.230 nan 0.000 0.542 433 N N 3.965 122.646 118.700 -0.032 0.000 2.415 433 N HA 0.159 4.899 4.740 -0.000 0.000 0.246 433 N C 1.009 176.496 175.510 -0.039 0.000 1.078 433 N CA 0.293 53.324 53.050 -0.031 0.000 0.942 433 N CB 0.668 39.139 38.487 -0.026 0.000 1.140 433 N HN 0.770 nan 8.380 nan 0.000 0.501 434 Q N 0.874 120.650 119.800 -0.040 0.000 2.291 434 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 434 Q C -0.207 175.765 176.000 -0.047 0.000 0.976 434 Q CA 0.806 56.579 55.803 -0.051 0.000 0.875 434 Q CB 0.107 28.817 28.738 -0.046 0.000 0.927 434 Q HN 0.688 nan 8.270 nan 0.000 0.450 435 D N 0.000 120.380 120.400 -0.034 0.000 6.856 435 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 435 D CA 0.000 53.983 54.000 -0.028 0.000 0.868 435 D CB 0.000 40.788 40.800 -0.019 0.000 0.688 435 D HN 0.000 nan 8.370 nan 0.000 0.683