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 1o6t_1_A DATA FIRST_RESID 35 DATA SEQUENCE SATITQDTPI NQIFTDTALA EKMKTVLGKT NVTDTVSQTD LDQVTTLQAD DATA SEQUENCE RLGIKSIDGV EYLNNLTQIN FSNNQLTDIT PLKNLTKLVD ILMNNNQIAD DATA SEQUENCE ITPLANLTNL TGLTLFNNQI TDIDPLKNLT NLNRLELSSN TISDISALSG DATA SEQUENCE LTSLQQLSFG NQVTDLKPLA NLTTLERLDI SSNKVSDISV LAKLTNLESL DATA SEQUENCE IATNNQISDI TPLGILTNLD ELSLNGNQLK DIGTLASLTN LTDLDLANNQ DATA SEQUENCE ISNLAPLSGL TKLTELKLGA NQISNISPLA GLTALTNLEL NENQLEDISP DATA SEQUENCE ISNLKNLTYL TLYFNNISDI SPVSSLTKLQ RLFFYNNKVS DVSSLANLTN DATA SEQUENCE INWLSAGHNQ ISDLTPLANL TRITQLGLND QAWTNAPVNY KANVSIPNTV DATA SEQUENCE KNVTGALIAP ATISDGGSYT EPDITWNLPS YTNEVSYTFS QPVTIGKGTT DATA SEQUENCE TFSGTVTQPL KA 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 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.688 174.600 0.147 0.000 1.055 35 S CA 0.000 58.249 58.200 0.082 0.000 1.107 35 S CB 0.000 63.239 63.200 0.064 0.000 0.593 36 A N 0.915 123.794 122.820 0.098 0.000 2.238 36 A HA 0.484 4.804 4.320 -0.001 0.000 0.208 36 A C 0.601 178.316 177.584 0.217 0.000 1.177 36 A CA 0.724 52.807 52.037 0.076 0.000 0.804 36 A CB -0.230 18.774 19.000 0.006 0.000 0.823 36 A HN 0.657 nan 8.150 nan 0.000 0.482 37 T N -0.092 114.627 114.554 0.274 0.000 2.900 37 T HA 0.448 4.798 4.350 -0.001 0.000 0.303 37 T C -0.748 173.981 174.700 0.048 0.000 1.142 37 T CA -0.506 61.727 62.100 0.223 0.000 1.007 37 T CB 1.370 70.297 68.868 0.099 0.000 1.156 37 T HN -0.000 nan 8.240 nan 0.000 0.490 38 I N 2.483 122.997 120.570 -0.093 0.000 2.337 38 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 38 I C 1.497 177.561 176.117 -0.090 0.000 1.046 38 I CA 0.196 61.368 61.300 -0.213 0.000 1.324 38 I CB 0.901 38.724 38.000 -0.295 0.000 1.409 38 I HN 0.784 nan 8.210 nan 0.000 0.494 39 T N 5.130 119.639 114.554 -0.075 0.000 3.037 39 T HA 0.101 4.450 4.350 -0.001 0.000 0.252 39 T C 0.623 175.300 174.700 -0.039 0.000 1.073 39 T CA 0.739 62.815 62.100 -0.040 0.000 1.091 39 T CB 0.302 69.153 68.868 -0.028 0.000 0.935 39 T HN 0.639 nan 8.240 nan 0.000 0.488 40 Q N 0.613 120.381 119.800 -0.054 0.000 2.456 40 Q HA 0.351 4.691 4.340 -0.001 0.000 0.283 40 Q C -1.700 174.269 176.000 -0.051 0.000 1.084 40 Q CA -0.909 54.868 55.803 -0.043 0.000 0.801 40 Q CB 1.734 30.449 28.738 -0.039 0.000 1.434 40 Q HN 0.102 nan 8.270 nan 0.000 0.419 41 D N 1.589 121.968 120.400 -0.036 0.000 2.487 41 D HA 0.147 4.787 4.640 -0.001 0.000 0.243 41 D C -1.024 175.252 176.300 -0.040 0.000 1.154 41 D CA 1.043 55.024 54.000 -0.033 0.000 0.876 41 D CB 0.841 41.630 40.800 -0.018 0.000 1.161 41 D HN 0.272 nan 8.370 nan 0.000 0.478 42 T N 3.268 117.793 114.554 -0.049 0.000 2.886 42 T HA 0.422 4.771 4.350 -0.001 0.000 0.292 42 T C -2.587 172.092 174.700 -0.035 0.000 1.012 42 T CA -1.467 60.597 62.100 -0.060 0.000 0.982 42 T CB 2.065 70.866 68.868 -0.113 0.000 1.018 42 T HN 0.028 nan 8.240 nan 0.000 0.451 43 P HA 0.214 nan 4.420 nan 0.000 0.266 43 P C 0.795 178.112 177.300 0.029 0.000 1.195 43 P CA -0.057 63.047 63.100 0.007 0.000 0.768 43 P CB 0.476 32.180 31.700 0.006 0.000 0.838 44 I N 2.182 122.797 120.570 0.075 0.000 2.264 44 I HA -0.285 3.885 4.170 -0.001 0.000 0.248 44 I C 1.887 178.113 176.117 0.182 0.000 1.111 44 I CA 1.652 63.055 61.300 0.171 0.000 1.382 44 I CB -0.513 37.592 38.000 0.174 0.000 1.060 44 I HN 0.471 nan 8.210 nan 0.000 0.418 45 N N 0.189 118.955 118.700 0.109 0.000 2.571 45 N HA -0.171 4.568 4.740 -0.001 0.000 0.189 45 N C 1.459 177.002 175.510 0.054 0.000 1.154 45 N CA 0.805 53.915 53.050 0.099 0.000 0.907 45 N CB -0.282 38.246 38.487 0.068 0.000 0.977 45 N HN 0.380 nan 8.380 nan 0.000 0.449 46 Q N -0.254 119.556 119.800 0.016 0.000 2.282 46 Q HA 0.325 4.664 4.340 -0.001 0.000 0.206 46 Q C 1.357 177.308 176.000 -0.083 0.000 0.878 46 Q CA -0.032 55.756 55.803 -0.024 0.000 0.944 46 Q CB 0.553 29.271 28.738 -0.033 0.000 1.100 46 Q HN 0.496 nan 8.270 nan 0.000 0.509 47 I N -1.319 119.173 120.570 -0.129 0.000 2.685 47 I HA -0.005 4.165 4.170 -0.001 0.000 0.251 47 I C -0.037 175.822 176.117 -0.430 0.000 1.102 47 I CA 0.445 61.534 61.300 -0.351 0.000 1.442 47 I CB 0.340 38.005 38.000 -0.559 0.000 1.194 47 I HN -0.086 nan 8.210 nan 0.000 0.448 48 F N 1.818 121.800 119.950 0.054 0.000 2.303 48 F HA 0.177 4.703 4.527 -0.001 0.000 0.368 48 F C 1.563 177.386 175.800 0.038 0.000 1.105 48 F CA -0.604 57.431 58.000 0.057 0.000 1.153 48 F CB 0.456 39.492 39.000 0.061 0.000 1.362 48 F HN -0.050 nan 8.300 nan 0.000 0.511 49 T N -2.517 112.113 114.554 0.127 0.000 3.023 49 T HA -0.109 4.240 4.350 -0.001 0.000 0.266 49 T C 0.587 175.339 174.700 0.085 0.000 1.093 49 T CA 0.168 62.317 62.100 0.082 0.000 1.129 49 T CB -0.043 68.849 68.868 0.039 0.000 0.899 49 T HN 0.445 nan 8.240 nan 0.000 0.491 50 D N 2.606 123.069 120.400 0.105 0.000 2.348 50 D HA 0.031 4.671 4.640 -0.001 0.000 0.253 50 D C 1.430 177.783 176.300 0.089 0.000 1.161 50 D CA 0.350 54.400 54.000 0.082 0.000 0.876 50 D CB 1.722 42.570 40.800 0.080 0.000 1.160 50 D HN 0.349 nan 8.370 nan 0.000 0.459 51 T N 1.698 116.290 114.554 0.063 0.000 2.867 51 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 51 T C 1.854 176.582 174.700 0.047 0.000 1.057 51 T CA 0.979 63.112 62.100 0.055 0.000 1.136 51 T CB -0.070 68.822 68.868 0.039 0.000 0.874 51 T HN 0.378 nan 8.240 nan 0.000 0.466 52 A N 1.403 124.250 122.820 0.044 0.000 1.898 52 A HA 0.187 4.507 4.320 -0.001 0.000 0.216 52 A C 2.298 179.903 177.584 0.033 0.000 1.181 52 A CA 1.342 53.400 52.037 0.035 0.000 0.620 52 A CB -0.856 18.167 19.000 0.039 0.000 0.819 52 A HN 0.445 nan 8.150 nan 0.000 0.442 53 L N -0.217 121.041 121.223 0.058 0.000 2.093 53 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 53 L C 2.660 179.499 176.870 -0.051 0.000 1.085 53 L CA 1.992 56.854 54.840 0.036 0.000 0.755 53 L CB -0.837 41.290 42.059 0.113 0.000 0.904 53 L HN 0.345 nan 8.230 nan 0.000 0.435 54 A N -0.580 122.264 122.820 0.040 0.000 1.908 54 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 54 A C 2.250 179.823 177.584 -0.017 0.000 1.181 54 A CA 1.782 53.847 52.037 0.047 0.000 0.627 54 A CB -0.740 18.333 19.000 0.122 0.000 0.818 54 A HN 0.547 nan 8.150 nan 0.000 0.445 55 E N 0.292 120.488 120.200 -0.006 0.000 2.110 55 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 55 E C 1.915 178.489 176.600 -0.043 0.000 0.988 55 E CA 1.957 58.348 56.400 -0.015 0.000 0.804 55 E CB -0.194 29.504 29.700 -0.003 0.000 0.745 55 E HN 0.477 nan 8.360 nan 0.000 0.458 56 K N -0.393 119.969 120.400 -0.064 0.000 2.057 56 K HA -0.045 4.275 4.320 -0.001 0.000 0.206 56 K C 1.899 178.419 176.600 -0.133 0.000 1.050 56 K CA 1.678 57.912 56.287 -0.089 0.000 0.935 56 K CB -0.221 32.226 32.500 -0.088 0.000 0.715 56 K HN 0.142 nan 8.250 nan 0.000 0.439 57 M N 1.122 120.591 119.600 -0.218 0.000 2.229 57 M HA -0.067 4.413 4.480 -0.001 0.000 0.264 57 M C 1.988 178.207 176.300 -0.135 0.000 1.063 57 M CA 1.431 56.556 55.300 -0.291 0.000 1.114 57 M CB -0.862 31.314 32.600 -0.707 0.000 1.387 57 M HN 0.252 nan 8.290 nan 0.000 0.420 58 K N 0.059 120.412 120.400 -0.079 0.000 2.044 58 K HA -0.171 4.149 4.320 -0.001 0.000 0.210 58 K C 1.712 178.293 176.600 -0.032 0.000 1.049 58 K CA 2.054 58.323 56.287 -0.029 0.000 0.927 58 K CB -0.013 32.479 32.500 -0.013 0.000 0.713 58 K HN 0.255 nan 8.250 nan 0.000 0.443 59 T N 0.729 115.257 114.554 -0.043 0.000 2.812 59 T HA -0.077 4.273 4.350 -0.001 0.000 0.264 59 T C 1.909 176.585 174.700 -0.040 0.000 1.042 59 T CA 1.243 63.321 62.100 -0.036 0.000 1.140 59 T CB -0.107 68.738 68.868 -0.039 0.000 0.870 59 T HN 0.016 nan 8.240 nan 0.000 0.445 60 V N 1.521 121.400 119.914 -0.058 0.000 2.392 60 V HA -0.071 4.048 4.120 -0.001 0.000 0.249 60 V C 2.134 178.209 176.094 -0.031 0.000 1.059 60 V CA 1.451 63.719 62.300 -0.053 0.000 1.051 60 V CB -0.556 31.218 31.823 -0.081 0.000 0.658 60 V HN 0.455 nan 8.190 nan 0.000 0.455 61 L N 0.208 121.416 121.223 -0.026 0.000 2.591 61 L HA 0.321 4.660 4.340 -0.001 0.000 0.228 61 L C 1.585 178.456 176.870 0.002 0.000 1.133 61 L CA 0.693 55.533 54.840 -0.001 0.000 0.880 61 L CB -0.469 41.601 42.059 0.018 0.000 1.033 61 L HN 0.513 nan 8.230 nan 0.000 0.450 62 G N 0.264 109.060 108.800 -0.006 0.000 2.221 62 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.265 62 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.265 62 G C 0.211 175.111 174.900 0.000 0.000 1.041 62 G CA 0.110 45.208 45.100 -0.003 0.000 0.807 62 G HN 0.171 nan 8.290 nan 0.000 0.502 63 K N -0.664 119.736 120.400 0.001 0.000 2.168 63 K HA 0.762 5.081 4.320 -0.001 0.000 0.239 63 K C 1.419 178.021 176.600 0.002 0.000 0.999 63 K CA 0.021 56.310 56.287 0.005 0.000 0.900 63 K CB 1.099 33.606 32.500 0.012 0.000 1.111 63 K HN 0.342 nan 8.250 nan 0.000 0.452 64 T N -3.454 111.102 114.554 0.004 0.000 3.040 64 T HA 0.180 4.529 4.350 -0.001 0.000 0.266 64 T C 0.325 175.028 174.700 0.005 0.000 1.005 64 T CA -0.262 61.840 62.100 0.003 0.000 0.906 64 T CB 0.106 68.976 68.868 0.003 0.000 1.082 64 T HN 0.424 nan 8.240 nan 0.000 0.531 65 N N 0.914 119.620 118.700 0.009 0.000 2.331 65 N HA 0.206 4.946 4.740 -0.001 0.000 0.280 65 N C 0.986 176.507 175.510 0.018 0.000 1.155 65 N CA -0.178 52.879 53.050 0.012 0.000 0.822 65 N CB 2.696 41.190 38.487 0.011 0.000 1.619 65 N HN -0.012 nan 8.380 nan 0.000 0.476 66 V N 0.155 120.083 119.914 0.023 0.000 3.026 66 V HA -0.077 4.043 4.120 -0.001 0.000 0.265 66 V C 1.756 177.875 176.094 0.041 0.000 1.121 66 V CA 2.122 64.444 62.300 0.037 0.000 1.142 66 V CB -1.467 30.381 31.823 0.042 0.000 0.730 66 V HN 0.806 nan 8.190 nan 0.000 0.503 67 T N -3.462 111.109 114.554 0.028 0.000 3.129 67 T HA 0.098 4.448 4.350 -0.001 0.000 0.251 67 T C 0.390 175.102 174.700 0.021 0.000 1.117 67 T CA -0.085 62.029 62.100 0.024 0.000 1.034 67 T CB -0.592 68.286 68.868 0.016 0.000 0.968 67 T HN 0.461 nan 8.240 nan 0.000 0.526 68 D N 3.740 124.154 120.400 0.023 0.000 2.472 68 D HA 0.199 4.838 4.640 -0.001 0.000 0.237 68 D C 0.722 177.036 176.300 0.023 0.000 1.141 68 D CA 0.506 54.518 54.000 0.019 0.000 0.875 68 D CB 1.117 41.928 40.800 0.019 0.000 1.192 68 D HN 0.513 nan 8.370 nan 0.000 0.450 69 T N -1.747 112.815 114.554 0.014 0.000 2.922 69 T HA 0.623 4.972 4.350 -0.001 0.000 0.285 69 T C 0.179 174.887 174.700 0.014 0.000 1.005 69 T CA -0.830 61.276 62.100 0.009 0.000 1.061 69 T CB 1.201 70.068 68.868 -0.002 0.000 1.007 69 T HN 0.234 nan 8.240 nan 0.000 0.502 70 V N -0.944 118.976 119.914 0.010 0.000 3.114 70 V HA 0.912 5.031 4.120 -0.001 0.000 0.308 70 V C -0.177 175.914 176.094 -0.005 0.000 1.168 70 V CA -0.914 61.395 62.300 0.016 0.000 1.015 70 V CB 1.525 33.378 31.823 0.049 0.000 1.050 70 V HN 1.309 nan 8.190 nan 0.000 0.433 71 S N 0.846 116.546 115.700 0.001 0.000 2.718 71 S HA 0.487 4.957 4.470 -0.001 0.000 0.300 71 S C 0.704 175.301 174.600 -0.005 0.000 1.117 71 S CA -0.013 58.181 58.200 -0.011 0.000 1.002 71 S CB 1.769 64.967 63.200 -0.003 0.000 1.092 71 S HN 0.977 nan 8.310 nan 0.000 0.542 72 Q N 0.958 120.750 119.800 -0.013 0.000 2.096 72 Q HA -0.080 4.259 4.340 -0.001 0.000 0.204 72 Q C 1.888 177.906 176.000 0.031 0.000 0.982 72 Q CA 2.590 58.399 55.803 0.010 0.000 0.850 72 Q CB -1.340 27.405 28.738 0.012 0.000 0.901 72 Q HN 0.899 nan 8.270 nan 0.000 0.422 73 T N 1.083 115.651 114.554 0.023 0.000 2.720 73 T HA -0.154 4.196 4.350 -0.001 0.000 0.268 73 T C 1.041 175.761 174.700 0.032 0.000 1.037 73 T CA 1.439 63.555 62.100 0.026 0.000 1.144 73 T CB -0.407 68.471 68.868 0.018 0.000 0.864 73 T HN 0.409 nan 8.240 nan 0.000 0.444 74 D N 1.182 121.601 120.400 0.032 0.000 2.117 74 D HA -0.025 4.614 4.640 -0.001 0.000 0.197 74 D C 2.168 178.502 176.300 0.058 0.000 0.987 74 D CA 0.801 54.824 54.000 0.039 0.000 0.829 74 D CB -0.416 40.406 40.800 0.037 0.000 0.961 74 D HN 0.334 nan 8.370 nan 0.000 0.460 75 L N 0.850 122.119 121.223 0.075 0.000 2.083 75 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 75 L C 1.712 178.643 176.870 0.102 0.000 1.083 75 L CA 0.953 55.864 54.840 0.117 0.000 0.752 75 L CB -0.254 41.891 42.059 0.144 0.000 0.899 75 L HN -0.122 nan 8.230 nan 0.000 0.433 76 D N -0.611 119.835 120.400 0.077 0.000 2.371 76 D HA -0.112 4.527 4.640 -0.001 0.000 0.221 76 D C 2.126 178.456 176.300 0.051 0.000 0.986 76 D CA 0.539 54.577 54.000 0.064 0.000 0.899 76 D CB 0.048 40.879 40.800 0.052 0.000 0.902 76 D HN 0.309 nan 8.370 nan 0.000 0.530 77 Q N -0.100 119.728 119.800 0.046 0.000 2.435 77 Q HA 0.041 4.380 4.340 -0.001 0.000 0.207 77 Q C 0.379 176.398 176.000 0.033 0.000 0.956 77 Q CA 0.172 55.995 55.803 0.034 0.000 0.917 77 Q CB 0.296 29.050 28.738 0.027 0.000 0.997 77 Q HN 0.143 nan 8.270 nan 0.000 0.497 78 V N 2.457 122.398 119.914 0.045 0.000 2.408 78 V HA 0.083 4.202 4.120 -0.001 0.000 0.267 78 V C 1.318 177.434 176.094 0.037 0.000 1.047 78 V CA 0.581 62.903 62.300 0.037 0.000 0.937 78 V CB 1.036 32.889 31.823 0.050 0.000 0.999 78 V HN 0.325 nan 8.190 nan 0.000 0.472 79 T N 0.015 114.582 114.554 0.022 0.000 2.971 79 T HA 0.174 4.524 4.350 -0.001 0.000 0.252 79 T C 0.666 175.374 174.700 0.013 0.000 1.022 79 T CA 0.079 62.192 62.100 0.021 0.000 0.980 79 T CB 0.484 69.361 68.868 0.015 0.000 1.044 79 T HN 0.537 nan 8.240 nan 0.000 0.501 80 T N 1.707 116.261 114.554 -0.000 0.000 2.909 80 T HA 0.710 5.059 4.350 -0.001 0.000 0.299 80 T C -2.212 172.462 174.700 -0.044 0.000 1.073 80 T CA -0.564 61.525 62.100 -0.019 0.000 0.999 80 T CB 2.176 71.029 68.868 -0.024 0.000 1.098 80 T HN 0.197 nan 8.240 nan 0.000 0.477 81 L N 2.889 124.063 121.223 -0.082 0.000 2.476 81 L HA 0.483 4.823 4.340 -0.001 0.000 0.269 81 L C -1.191 175.527 176.870 -0.253 0.000 0.965 81 L CA -0.164 54.583 54.840 -0.156 0.000 0.845 81 L CB 1.978 43.951 42.059 -0.144 0.000 1.259 81 L HN 0.625 nan 8.230 nan 0.000 0.403 82 Q N 4.399 124.064 119.800 -0.226 0.000 2.462 82 Q HA 0.700 5.039 4.340 -0.001 0.000 0.247 82 Q C -0.159 175.682 176.000 -0.264 0.000 1.044 82 Q CA -0.135 55.530 55.803 -0.230 0.000 0.803 82 Q CB 1.638 30.295 28.738 -0.134 0.000 1.190 82 Q HN 0.739 nan 8.270 nan 0.000 0.507 83 A N 2.888 125.456 122.820 -0.420 0.000 2.705 83 A HA 0.124 4.444 4.320 -0.001 0.000 0.294 83 A C -0.287 177.161 177.584 -0.226 0.000 1.039 83 A CA -0.633 51.188 52.037 -0.359 0.000 1.005 83 A CB 0.125 18.799 19.000 -0.544 0.000 1.192 83 A HN 0.668 nan 8.150 nan 0.000 0.513 84 D N -0.610 119.694 120.400 -0.161 0.000 2.339 84 D HA 0.299 4.939 4.640 -0.001 0.000 0.245 84 D C -0.022 176.261 176.300 -0.029 0.000 1.115 84 D CA -0.379 53.580 54.000 -0.070 0.000 0.917 84 D CB 0.562 41.323 40.800 -0.065 0.000 1.192 84 D HN 0.074 nan 8.370 nan 0.000 0.428 85 R N -0.087 120.413 120.500 0.001 0.000 3.531 85 R HA -0.148 4.191 4.340 -0.001 0.000 0.280 85 R C 0.155 176.460 176.300 0.009 0.000 1.130 85 R CA 0.420 56.525 56.100 0.007 0.000 0.757 85 R CB -2.379 27.921 30.300 0.001 0.000 1.218 85 R HN 0.629 nan 8.270 nan 0.000 0.454 86 L N -1.524 119.711 121.223 0.021 0.000 2.766 86 L HA 0.276 4.616 4.340 -0.001 0.000 0.242 86 L C 1.398 178.288 176.870 0.033 0.000 1.136 86 L CA 0.363 55.216 54.840 0.022 0.000 0.933 86 L CB 0.719 42.791 42.059 0.021 0.000 1.241 86 L HN 0.576 nan 8.230 nan 0.000 0.522 87 G N 1.664 110.486 108.800 0.036 0.000 2.221 87 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.265 87 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.265 87 G C 0.129 175.055 174.900 0.043 0.000 1.041 87 G CA -0.072 45.049 45.100 0.034 0.000 0.807 87 G HN 0.307 nan 8.290 nan 0.000 0.502 88 I N -0.529 120.079 120.570 0.064 0.000 2.471 88 I HA 0.251 4.420 4.170 -0.001 0.000 0.286 88 I C 1.314 177.453 176.117 0.038 0.000 1.079 88 I CA -0.014 61.328 61.300 0.070 0.000 1.398 88 I CB 1.249 39.331 38.000 0.136 0.000 1.403 88 I HN 0.080 nan 8.210 nan 0.000 0.530 89 K N 2.793 123.206 120.400 0.022 0.000 2.367 89 K HA 0.171 4.490 4.320 -0.001 0.000 0.195 89 K C 0.234 176.825 176.600 -0.016 0.000 1.060 89 K CA 0.129 56.418 56.287 0.003 0.000 1.022 89 K CB 0.623 33.128 32.500 0.008 0.000 0.894 89 K HN 0.503 nan 8.250 nan 0.000 0.540 90 S N 0.424 116.115 115.700 -0.016 0.000 2.548 90 S HA 0.371 4.840 4.470 -0.001 0.000 0.276 90 S C -0.314 174.257 174.600 -0.048 0.000 1.129 90 S CA -0.947 57.232 58.200 -0.034 0.000 0.931 90 S CB 0.825 64.022 63.200 -0.006 0.000 1.068 90 S HN 0.267 nan 8.310 nan 0.000 0.480 91 I N 0.145 120.648 120.570 -0.113 0.000 3.884 91 I HA 0.471 4.640 4.170 -0.001 0.000 0.330 91 I C -0.495 175.609 176.117 -0.021 0.000 1.451 91 I CA -0.616 60.604 61.300 -0.133 0.000 1.165 91 I CB -0.270 37.492 38.000 -0.396 0.000 1.097 91 I HN 0.304 nan 8.210 nan 0.000 0.404 92 D N 3.069 123.468 120.400 -0.002 0.000 2.533 92 D HA 0.261 4.901 4.640 -0.001 0.000 0.236 92 D C 1.366 177.683 176.300 0.029 0.000 1.137 92 D CA 1.869 55.867 54.000 -0.003 0.000 0.867 92 D CB 1.108 41.906 40.800 -0.003 0.000 1.170 92 D HN 0.592 nan 8.370 nan 0.000 0.474 93 G N 0.743 109.509 108.800 -0.057 0.000 2.284 93 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.216 93 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.216 93 G C 1.207 176.099 174.900 -0.014 0.000 1.009 93 G CA 0.285 45.255 45.100 -0.217 0.000 0.625 93 G HN 0.737 nan 8.290 nan 0.000 0.501 94 V N 0.676 120.710 119.914 0.200 0.000 2.913 94 V HA 0.045 4.164 4.120 -0.001 0.000 0.260 94 V C 2.460 178.587 176.094 0.056 0.000 1.098 94 V CA 2.476 64.933 62.300 0.260 0.000 1.121 94 V CB -0.303 31.638 31.823 0.197 0.000 0.714 94 V HN 0.692 nan 8.190 nan 0.000 0.487 95 E N 0.508 120.623 120.200 -0.141 0.000 2.333 95 E HA -0.256 4.094 4.350 -0.001 0.000 0.198 95 E C 1.670 178.081 176.600 -0.315 0.000 1.007 95 E CA 1.632 57.869 56.400 -0.271 0.000 0.845 95 E CB -0.737 28.714 29.700 -0.415 0.000 0.766 95 E HN 0.738 nan 8.360 nan 0.000 0.507 96 Y N 0.770 121.066 120.300 -0.006 0.000 2.511 96 Y HA 0.234 4.784 4.550 -0.001 0.000 0.279 96 Y C 1.285 177.219 175.900 0.057 0.000 1.157 96 Y CA 0.136 58.236 58.100 0.000 0.000 1.300 96 Y CB 0.155 38.581 38.460 -0.057 0.000 1.052 96 Y HN -0.095 nan 8.280 nan 0.000 0.529 97 L N 1.471 122.814 121.223 0.200 0.000 2.466 97 L HA 0.139 4.479 4.340 -0.001 0.000 0.248 97 L C 0.726 177.660 176.870 0.107 0.000 1.240 97 L CA -0.174 54.773 54.840 0.177 0.000 1.180 97 L CB -0.132 42.053 42.059 0.209 0.000 1.413 97 L HN 0.255 nan 8.230 nan 0.000 0.406 98 N N 0.872 119.626 118.700 0.090 0.000 2.364 98 N HA -0.128 4.611 4.740 -0.001 0.000 0.183 98 N C 0.897 176.436 175.510 0.048 0.000 1.022 98 N CA 1.033 54.117 53.050 0.057 0.000 0.883 98 N CB 0.156 38.675 38.487 0.053 0.000 0.965 98 N HN 0.500 nan 8.380 nan 0.000 0.438 99 N N 0.681 119.414 118.700 0.054 0.000 2.268 99 N HA 0.138 4.878 4.740 -0.001 0.000 0.204 99 N C -0.092 175.443 175.510 0.042 0.000 1.124 99 N CA -0.072 53.003 53.050 0.043 0.000 0.838 99 N CB 0.500 39.011 38.487 0.039 0.000 0.994 99 N HN 0.222 nan 8.380 nan 0.000 0.489 100 L N 1.084 122.338 121.223 0.052 0.000 2.559 100 L HA -0.016 4.323 4.340 -0.001 0.000 0.274 100 L C 1.743 178.637 176.870 0.039 0.000 1.205 100 L CA 0.404 55.275 54.840 0.051 0.000 0.907 100 L CB 0.596 42.699 42.059 0.073 0.000 1.153 100 L HN 0.175 nan 8.230 nan 0.000 0.490 101 T N -0.869 113.703 114.554 0.031 0.000 2.955 101 T HA 0.172 4.522 4.350 -0.001 0.000 0.251 101 T C 0.548 175.262 174.700 0.023 0.000 1.002 101 T CA -0.152 61.963 62.100 0.025 0.000 0.970 101 T CB 0.467 69.346 68.868 0.018 0.000 1.091 101 T HN 0.578 nan 8.240 nan 0.000 0.495 102 Q N 1.118 120.930 119.800 0.020 0.000 2.289 102 Q HA 0.671 5.011 4.340 -0.001 0.000 0.270 102 Q C -1.364 174.638 176.000 0.004 0.000 1.038 102 Q CA -0.822 54.988 55.803 0.011 0.000 0.812 102 Q CB 2.988 31.725 28.738 -0.002 0.000 1.300 102 Q HN 0.641 nan 8.270 nan 0.000 0.427 103 I N -0.652 119.925 120.570 0.012 0.000 2.769 103 I HA 0.670 4.840 4.170 -0.001 0.000 0.298 103 I C -1.223 174.861 176.117 -0.055 0.000 1.128 103 I CA -0.944 60.345 61.300 -0.019 0.000 1.031 103 I CB 2.366 40.456 38.000 0.149 0.000 1.235 103 I HN 0.371 nan 8.210 nan 0.000 0.423 104 N N 4.440 123.011 118.700 -0.216 0.000 2.531 104 N HA 0.445 5.185 4.740 -0.001 0.000 0.268 104 N C -1.480 173.805 175.510 -0.375 0.000 1.023 104 N CA -0.595 52.342 53.050 -0.188 0.000 0.896 104 N CB 0.978 39.375 38.487 -0.150 0.000 1.233 104 N HN 0.690 nan 8.380 nan 0.000 0.512 105 F N 0.805 120.733 119.950 -0.037 0.000 2.791 105 F HA 0.221 4.748 4.527 -0.001 0.000 0.308 105 F C 1.246 177.015 175.800 -0.052 0.000 1.138 105 F CA -0.506 57.472 58.000 -0.037 0.000 1.294 105 F CB 0.085 39.068 39.000 -0.029 0.000 0.975 105 F HN 0.308 nan 8.300 nan 0.000 0.512 106 S N 0.278 115.996 115.700 0.031 0.000 2.573 106 S HA 0.024 4.494 4.470 -0.001 0.000 0.277 106 S C 0.684 175.284 174.600 0.000 0.000 1.346 106 S CA -0.394 57.793 58.200 -0.022 0.000 1.034 106 S CB 0.286 63.443 63.200 -0.072 0.000 0.879 106 S HN 0.466 nan 8.310 nan 0.000 0.528 107 N N 1.916 120.609 118.700 -0.012 0.000 2.727 107 N HA -0.135 4.604 4.740 -0.001 0.000 0.251 107 N C -0.865 174.660 175.510 0.025 0.000 1.040 107 N CA 0.771 53.825 53.050 0.006 0.000 0.712 107 N CB -1.585 36.907 38.487 0.009 0.000 0.912 107 N HN 0.737 nan 8.380 nan 0.000 0.545 108 N N 0.072 118.792 118.700 0.034 0.000 3.379 108 N HA 0.346 5.085 4.740 -0.001 0.000 0.350 108 N C 0.053 175.579 175.510 0.026 0.000 1.553 108 N CA -0.324 52.754 53.050 0.046 0.000 0.712 108 N CB 0.265 38.808 38.487 0.093 0.000 1.880 108 N HN 0.022 nan 8.380 nan 0.000 0.648 109 Q N 0.738 120.551 119.800 0.022 0.000 2.182 109 Q HA 0.463 4.803 4.340 -0.001 0.000 0.305 109 Q C -0.647 175.350 176.000 -0.006 0.000 0.880 109 Q CA -0.096 55.712 55.803 0.008 0.000 1.131 109 Q CB 0.205 28.949 28.738 0.009 0.000 1.237 109 Q HN 0.333 nan 8.270 nan 0.000 0.447 110 L N -0.315 120.900 121.223 -0.014 0.000 2.456 110 L HA 0.219 4.559 4.340 -0.001 0.000 0.272 110 L C 0.683 177.533 176.870 -0.035 0.000 1.189 110 L CA 0.400 55.215 54.840 -0.041 0.000 0.846 110 L CB 0.745 42.761 42.059 -0.072 0.000 1.111 110 L HN 0.299 nan 8.230 nan 0.000 0.475 111 T N -1.263 113.267 114.554 -0.040 0.000 3.413 111 T HA 0.016 4.365 4.350 -0.001 0.000 0.187 111 T C -0.060 174.615 174.700 -0.041 0.000 0.961 111 T CA -0.354 61.727 62.100 -0.032 0.000 1.085 111 T CB 0.068 68.923 68.868 -0.023 0.000 1.345 111 T HN 0.585 nan 8.240 nan 0.000 0.326 112 D N 2.613 122.988 120.400 -0.042 0.000 2.472 112 D HA 0.017 4.657 4.640 -0.001 0.000 0.248 112 D C 0.484 176.742 176.300 -0.070 0.000 1.174 112 D CA 0.181 54.152 54.000 -0.048 0.000 0.883 112 D CB 0.338 41.111 40.800 -0.044 0.000 1.149 112 D HN 0.536 nan 8.370 nan 0.000 0.488 113 I N 0.588 121.117 120.570 -0.068 0.000 3.856 113 I HA 0.102 4.272 4.170 -0.001 0.000 0.330 113 I C 1.338 177.410 176.117 -0.075 0.000 1.546 113 I CA -0.634 60.613 61.300 -0.087 0.000 1.132 113 I CB 0.299 38.250 38.000 -0.081 0.000 1.157 113 I HN 0.041 nan 8.210 nan 0.000 0.440 114 T N 2.629 117.143 114.554 -0.065 0.000 2.680 114 T HA -0.116 4.234 4.350 -0.001 0.000 0.268 114 T C -0.530 174.125 174.700 -0.075 0.000 1.033 114 T CA 2.229 64.292 62.100 -0.062 0.000 1.152 114 T CB -1.258 67.576 68.868 -0.056 0.000 0.859 114 T HN 0.378 nan 8.240 nan 0.000 0.452 115 P HA 0.031 nan 4.420 nan 0.000 0.226 115 P C 1.091 178.338 177.300 -0.089 0.000 1.146 115 P CA 0.764 63.802 63.100 -0.104 0.000 0.773 115 P CB -0.308 31.329 31.700 -0.105 0.000 0.772 116 L N -0.977 120.203 121.223 -0.072 0.000 2.554 116 L HA 0.010 4.349 4.340 -0.001 0.000 0.226 116 L C 2.328 179.174 176.870 -0.039 0.000 1.137 116 L CA 0.652 55.465 54.840 -0.046 0.000 0.863 116 L CB -0.625 41.413 42.059 -0.035 0.000 0.985 116 L HN -0.005 nan 8.230 nan 0.000 0.451 117 K N 1.282 121.653 120.400 -0.049 0.000 2.152 117 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 117 K C 0.891 177.471 176.600 -0.035 0.000 1.048 117 K CA 1.725 57.988 56.287 -0.041 0.000 0.933 117 K CB 0.102 32.575 32.500 -0.046 0.000 0.721 117 K HN 0.350 nan 8.250 nan 0.000 0.447 118 N N -0.214 118.461 118.700 -0.042 0.000 2.204 118 N HA 0.151 4.890 4.740 -0.001 0.000 0.219 118 N C -0.860 174.636 175.510 -0.023 0.000 1.151 118 N CA -0.166 52.865 53.050 -0.033 0.000 0.867 118 N CB 0.673 39.135 38.487 -0.042 0.000 1.043 118 N HN 0.011 nan 8.380 nan 0.000 0.516 119 L N 1.735 122.947 121.223 -0.018 0.000 2.416 119 L HA 0.097 4.437 4.340 -0.001 0.000 0.243 119 L C 1.148 178.022 176.870 0.007 0.000 1.373 119 L CA 0.060 54.900 54.840 -0.000 0.000 1.227 119 L CB -0.737 41.328 42.059 0.011 0.000 1.428 119 L HN 0.304 nan 8.230 nan 0.000 0.425 120 T N -4.226 110.330 114.554 0.004 0.000 3.160 120 T HA -0.053 4.296 4.350 -0.001 0.000 0.257 120 T C 1.495 176.201 174.700 0.010 0.000 1.147 120 T CA 0.305 62.409 62.100 0.005 0.000 1.064 120 T CB -0.004 68.865 68.868 0.002 0.000 0.949 120 T HN 0.338 nan 8.240 nan 0.000 0.526 121 K N 0.362 120.770 120.400 0.014 0.000 2.418 121 K HA 0.277 4.597 4.320 -0.001 0.000 0.195 121 K C 0.359 176.971 176.600 0.019 0.000 1.035 121 K CA -0.102 56.195 56.287 0.017 0.000 1.003 121 K CB -0.194 32.318 32.500 0.019 0.000 0.793 121 K HN 0.415 nan 8.250 nan 0.000 0.494 122 L N 1.209 122.445 121.223 0.022 0.000 2.578 122 L HA -0.102 4.238 4.340 -0.001 0.000 0.279 122 L C 1.090 177.973 176.870 0.022 0.000 1.227 122 L CA -0.081 54.775 54.840 0.026 0.000 0.900 122 L CB 0.698 42.775 42.059 0.031 0.000 1.144 122 L HN -0.056 nan 8.230 nan 0.000 0.496 123 V N 1.054 120.981 119.914 0.022 0.000 3.455 123 V HA 0.154 4.274 4.120 -0.001 0.000 0.250 123 V C 0.176 176.283 176.094 0.021 0.000 1.230 123 V CA 0.579 62.891 62.300 0.019 0.000 1.105 123 V CB 0.500 32.332 31.823 0.016 0.000 0.850 123 V HN 0.803 nan 8.190 nan 0.000 0.461 124 D N -0.008 120.406 120.400 0.023 0.000 2.970 124 D HA 0.440 5.079 4.640 -0.001 0.000 0.230 124 D C -1.559 174.759 176.300 0.029 0.000 1.276 124 D CA -0.197 53.817 54.000 0.024 0.000 0.910 124 D CB 2.425 43.236 40.800 0.019 0.000 1.590 124 D HN 0.098 nan 8.370 nan 0.000 0.551 125 I N 3.807 124.397 120.570 0.032 0.000 2.466 125 I HA 0.330 4.499 4.170 -0.001 0.000 0.289 125 I C -0.535 175.599 176.117 0.027 0.000 1.026 125 I CA -0.697 60.628 61.300 0.041 0.000 1.078 125 I CB 2.131 40.158 38.000 0.046 0.000 1.249 125 I HN 0.197 nan 8.210 nan 0.000 0.429 126 L N 7.051 128.286 121.223 0.020 0.000 2.298 126 L HA 0.536 4.875 4.340 -0.001 0.000 0.284 126 L C 0.064 176.926 176.870 -0.012 0.000 1.013 126 L CA -0.099 54.733 54.840 -0.014 0.000 0.824 126 L CB 1.579 43.625 42.059 -0.021 0.000 1.221 126 L HN 0.721 nan 8.230 nan 0.000 0.418 127 M N 2.924 122.483 119.600 -0.068 0.000 3.340 127 M HA 0.108 4.587 4.480 -0.001 0.000 0.471 127 M C -0.133 176.065 176.300 -0.171 0.000 1.550 127 M CA -0.366 54.903 55.300 -0.052 0.000 0.754 127 M CB 0.614 33.214 32.600 0.000 0.000 1.485 127 M HN 0.717 nan 8.290 nan 0.000 0.530 128 N N -0.429 118.051 118.700 -0.367 0.000 2.381 128 N HA 0.097 4.837 4.740 -0.001 0.000 0.241 128 N C -0.369 174.939 175.510 -0.336 0.000 1.279 128 N CA -0.066 52.595 53.050 -0.648 0.000 0.896 128 N CB 0.170 37.640 38.487 -1.696 0.000 1.118 128 N HN 0.141 nan 8.380 nan 0.000 0.438 129 N N -0.372 118.185 118.700 -0.239 0.000 2.681 129 N HA -0.175 4.564 4.740 -0.001 0.000 0.259 129 N C -1.498 173.983 175.510 -0.048 0.000 1.066 129 N CA 0.593 53.596 53.050 -0.078 0.000 0.717 129 N CB -1.347 37.118 38.487 -0.036 0.000 0.885 129 N HN 0.664 nan 8.380 nan 0.000 0.547 130 N N 0.078 118.753 118.700 -0.043 0.000 3.379 130 N HA 0.309 5.049 4.740 -0.001 0.000 0.350 130 N C -0.368 175.134 175.510 -0.013 0.000 1.553 130 N CA -0.465 52.573 53.050 -0.021 0.000 0.712 130 N CB 0.774 39.246 38.487 -0.025 0.000 1.880 130 N HN 0.230 nan 8.380 nan 0.000 0.648 131 Q N 1.038 120.832 119.800 -0.011 0.000 2.333 131 Q HA 0.417 4.757 4.340 -0.001 0.000 0.365 131 Q C -0.925 175.069 176.000 -0.010 0.000 0.882 131 Q CA -0.189 55.611 55.803 -0.006 0.000 1.124 131 Q CB 0.144 28.881 28.738 -0.002 0.000 1.345 131 Q HN 0.473 nan 8.270 nan 0.000 0.409 132 I N 0.383 120.944 120.570 -0.015 0.000 2.529 132 I HA 0.091 4.261 4.170 -0.001 0.000 0.284 132 I C 0.872 176.984 176.117 -0.009 0.000 1.082 132 I CA 0.158 61.448 61.300 -0.018 0.000 1.406 132 I CB 1.468 39.454 38.000 -0.024 0.000 1.405 132 I HN 0.329 nan 8.210 nan 0.000 0.548 133 A N 3.907 126.721 122.820 -0.010 0.000 2.026 133 A HA 0.102 4.422 4.320 -0.001 0.000 0.198 133 A C 0.519 178.099 177.584 -0.007 0.000 1.390 133 A CA 0.180 52.215 52.037 -0.004 0.000 0.915 133 A CB 0.220 19.218 19.000 -0.004 0.000 0.974 133 A HN 0.644 nan 8.150 nan 0.000 0.477 134 D N 0.800 121.193 120.400 -0.012 0.000 2.427 134 D HA 0.383 5.023 4.640 -0.001 0.000 0.226 134 D C 0.486 176.776 176.300 -0.016 0.000 1.076 134 D CA -0.460 53.532 54.000 -0.014 0.000 0.849 134 D CB 0.582 41.372 40.800 -0.016 0.000 1.052 134 D HN 0.424 nan 8.370 nan 0.000 0.515 135 I N 0.631 121.194 120.570 -0.013 0.000 3.891 135 I HA 0.148 4.317 4.170 -0.001 0.000 0.331 135 I C 1.093 177.201 176.117 -0.014 0.000 1.406 135 I CA -0.446 60.846 61.300 -0.013 0.000 1.139 135 I CB 0.058 38.054 38.000 -0.007 0.000 1.056 135 I HN 0.032 nan 8.210 nan 0.000 0.399 136 T N 2.539 117.083 114.554 -0.015 0.000 2.680 136 T HA -0.111 4.238 4.350 -0.001 0.000 0.268 136 T C -0.443 174.246 174.700 -0.018 0.000 1.033 136 T CA 2.073 64.164 62.100 -0.016 0.000 1.152 136 T CB -1.378 67.480 68.868 -0.017 0.000 0.859 136 T HN 0.403 nan 8.240 nan 0.000 0.452 137 P HA 0.056 nan 4.420 nan 0.000 0.226 137 P C 1.058 178.346 177.300 -0.020 0.000 1.146 137 P CA 0.743 63.828 63.100 -0.026 0.000 0.773 137 P CB -0.330 31.349 31.700 -0.035 0.000 0.772 138 L N -1.905 119.310 121.223 -0.015 0.000 2.558 138 L HA 0.137 4.477 4.340 -0.001 0.000 0.225 138 L C 2.238 179.105 176.870 -0.006 0.000 1.128 138 L CA 0.402 55.237 54.840 -0.008 0.000 0.868 138 L CB -0.775 41.282 42.059 -0.003 0.000 1.006 138 L HN -0.058 nan 8.230 nan 0.000 0.454 139 A N 0.511 123.326 122.820 -0.009 0.000 2.019 139 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 139 A C 1.613 179.194 177.584 -0.006 0.000 1.164 139 A CA 1.389 53.422 52.037 -0.007 0.000 0.644 139 A CB -0.261 18.734 19.000 -0.009 0.000 0.805 139 A HN 0.430 nan 8.150 nan 0.000 0.449 140 N N -0.290 118.406 118.700 -0.007 0.000 2.238 140 N HA 0.199 4.938 4.740 -0.001 0.000 0.222 140 N C -0.291 175.217 175.510 -0.002 0.000 1.133 140 N CA 0.058 53.105 53.050 -0.005 0.000 0.854 140 N CB 0.428 38.911 38.487 -0.008 0.000 1.041 140 N HN 0.393 nan 8.380 nan 0.000 0.510 141 L N 1.682 122.905 121.223 -0.001 0.000 2.583 141 L HA 0.150 4.490 4.340 -0.001 0.000 0.239 141 L C 1.320 178.194 176.870 0.006 0.000 1.347 141 L CA -0.043 54.799 54.840 0.003 0.000 1.246 141 L CB -0.561 41.501 42.059 0.005 0.000 1.496 141 L HN 0.065 nan 8.230 nan 0.000 0.413 142 T N -4.447 110.110 114.554 0.005 0.000 3.118 142 T HA -0.030 4.319 4.350 -0.001 0.000 0.260 142 T C 1.325 176.030 174.700 0.008 0.000 1.139 142 T CA 0.249 62.353 62.100 0.006 0.000 1.085 142 T CB -0.094 68.776 68.868 0.004 0.000 0.934 142 T HN 0.329 nan 8.240 nan 0.000 0.518 143 N N 1.050 119.755 118.700 0.009 0.000 2.461 143 N HA 0.196 4.935 4.740 -0.001 0.000 0.188 143 N C 0.177 175.695 175.510 0.013 0.000 1.134 143 N CA 0.023 53.080 53.050 0.011 0.000 0.878 143 N CB -0.144 38.349 38.487 0.011 0.000 0.972 143 N HN 0.483 nan 8.380 nan 0.000 0.456 144 L N 1.252 122.483 121.223 0.014 0.000 2.513 144 L HA -0.002 4.338 4.340 -0.001 0.000 0.272 144 L C 1.711 178.592 176.870 0.018 0.000 1.187 144 L CA 0.195 55.046 54.840 0.018 0.000 0.895 144 L CB 0.614 42.685 42.059 0.019 0.000 1.147 144 L HN 0.151 nan 8.230 nan 0.000 0.483 145 T N -1.624 112.941 114.554 0.020 0.000 2.990 145 T HA 0.218 4.568 4.350 -0.001 0.000 0.249 145 T C 0.638 175.353 174.700 0.026 0.000 1.039 145 T CA 0.265 62.377 62.100 0.021 0.000 1.036 145 T CB 0.544 69.422 68.868 0.018 0.000 0.994 145 T HN 0.602 nan 8.240 nan 0.000 0.489 146 G N 1.269 110.086 108.800 0.028 0.000 2.643 146 G HA2 0.633 4.593 3.960 -0.001 0.000 0.305 146 G HA3 0.633 4.593 3.960 -0.001 0.000 0.305 146 G C -2.063 172.859 174.900 0.036 0.000 1.387 146 G CA -0.660 44.461 45.100 0.034 0.000 0.982 146 G HN 0.326 nan 8.290 nan 0.000 0.501 147 L N 1.757 123.007 121.223 0.045 0.000 2.504 147 L HA 0.650 4.989 4.340 -0.001 0.000 0.265 147 L C -0.472 176.432 176.870 0.056 0.000 0.975 147 L CA -0.324 54.541 54.840 0.042 0.000 0.864 147 L CB 2.057 44.138 42.059 0.038 0.000 1.212 147 L HN 0.400 nan 8.230 nan 0.000 0.416 148 T N 6.559 121.137 114.554 0.040 0.000 2.772 148 T HA 0.539 4.889 4.350 -0.001 0.000 0.288 148 T C 0.580 175.241 174.700 -0.065 0.000 0.994 148 T CA -0.056 62.069 62.100 0.041 0.000 0.951 148 T CB 0.770 69.666 68.868 0.047 0.000 0.933 148 T HN 0.551 nan 8.240 nan 0.000 0.447 149 L N 3.345 124.547 121.223 -0.035 0.000 3.358 149 L HA 0.368 4.707 4.340 -0.001 0.000 0.301 149 L C -0.066 176.772 176.870 -0.054 0.000 1.276 149 L CA -0.619 54.177 54.840 -0.073 0.000 1.028 149 L CB 0.132 42.193 42.059 0.003 0.000 1.421 149 L HN 0.625 nan 8.230 nan 0.000 0.604 150 F N -1.271 118.697 119.950 0.030 0.000 2.506 150 F HA 0.309 4.836 4.527 0.000 0.000 0.351 150 F C 1.151 176.965 175.800 0.024 0.000 1.136 150 F CA -0.659 57.357 58.000 0.026 0.000 1.298 150 F CB 0.011 39.021 39.000 0.017 0.000 1.145 150 F HN 0.067 nan 8.300 nan 0.000 0.593 151 N N 2.041 120.882 118.700 0.235 0.000 2.726 151 N HA -0.243 4.497 4.740 -0.001 0.000 0.253 151 N C -1.194 174.342 175.510 0.043 0.000 1.059 151 N CA 0.556 53.690 53.050 0.141 0.000 0.701 151 N CB -0.998 37.609 38.487 0.200 0.000 0.899 151 N HN 0.897 nan 8.380 nan 0.000 0.548 152 N N 0.154 118.876 118.700 0.037 0.000 3.312 152 N HA 0.336 5.075 4.740 -0.001 0.000 0.361 152 N C -0.277 175.248 175.510 0.025 0.000 1.476 152 N CA -0.337 52.720 53.050 0.013 0.000 0.669 152 N CB 0.407 38.892 38.487 -0.003 0.000 1.629 152 N HN 0.273 nan 8.380 nan 0.000 0.612 153 Q N 0.771 120.581 119.800 0.017 0.000 2.215 153 Q HA 0.435 4.774 4.340 -0.001 0.000 0.337 153 Q C -0.812 175.198 176.000 0.017 0.000 0.887 153 Q CA -0.094 55.720 55.803 0.018 0.000 1.134 153 Q CB 0.615 29.360 28.738 0.012 0.000 1.303 153 Q HN 0.420 nan 8.270 nan 0.000 0.421 154 I N 0.089 120.672 120.570 0.023 0.000 2.395 154 I HA 0.102 4.271 4.170 -0.001 0.000 0.289 154 I C 0.976 177.106 176.117 0.023 0.000 1.023 154 I CA 0.273 61.585 61.300 0.019 0.000 1.350 154 I CB 1.619 39.633 38.000 0.024 0.000 1.409 154 I HN 0.130 nan 8.210 nan 0.000 0.507 155 T N 1.901 116.462 114.554 0.013 0.000 3.071 155 T HA 0.018 4.367 4.350 -0.001 0.000 0.239 155 T C 0.257 174.957 174.700 0.000 0.000 0.997 155 T CA 0.272 62.378 62.100 0.009 0.000 1.134 155 T CB 0.068 68.940 68.868 0.006 0.000 0.928 155 T HN 0.526 nan 8.240 nan 0.000 0.453 156 D N 2.035 122.433 120.400 -0.003 0.000 2.359 156 D HA 0.200 4.839 4.640 -0.001 0.000 0.230 156 D C 0.705 176.998 176.300 -0.011 0.000 1.118 156 D CA -0.628 53.366 54.000 -0.010 0.000 0.844 156 D CB 0.511 41.305 40.800 -0.010 0.000 1.059 156 D HN 0.421 nan 8.370 nan 0.000 0.493 157 I N 0.363 120.922 120.570 -0.018 0.000 3.904 157 I HA 0.279 4.448 4.170 -0.001 0.000 0.333 157 I C 1.178 177.283 176.117 -0.021 0.000 1.361 157 I CA -0.342 60.947 61.300 -0.018 0.000 1.116 157 I CB 0.242 38.228 38.000 -0.022 0.000 1.028 157 I HN 0.132 nan 8.210 nan 0.000 0.398 158 D N 3.232 123.619 120.400 -0.022 0.000 2.149 158 D HA -0.155 4.484 4.640 -0.001 0.000 0.194 158 D C -0.572 175.719 176.300 -0.015 0.000 1.001 158 D CA 1.952 55.940 54.000 -0.020 0.000 0.849 158 D CB -0.663 40.126 40.800 -0.018 0.000 0.939 158 D HN 0.281 nan 8.370 nan 0.000 0.449 159 P HA -0.074 nan 4.420 nan 0.000 0.226 159 P C 0.796 178.092 177.300 -0.007 0.000 1.146 159 P CA 0.836 63.930 63.100 -0.010 0.000 0.773 159 P CB -0.028 31.666 31.700 -0.009 0.000 0.772 160 L N -0.453 120.767 121.223 -0.006 0.000 2.591 160 L HA 0.058 4.397 4.340 -0.001 0.000 0.228 160 L C 2.243 179.111 176.870 -0.004 0.000 1.133 160 L CA 0.352 55.191 54.840 -0.002 0.000 0.880 160 L CB -0.659 41.402 42.059 0.002 0.000 1.033 160 L HN 0.096 nan 8.230 nan 0.000 0.450 161 K N -0.481 119.914 120.400 -0.009 0.000 2.209 161 K HA -0.174 4.146 4.320 -0.001 0.000 0.204 161 K C 1.326 177.923 176.600 -0.005 0.000 1.048 161 K CA 1.322 57.603 56.287 -0.010 0.000 0.940 161 K CB -0.171 32.321 32.500 -0.013 0.000 0.729 161 K HN 0.129 nan 8.250 nan 0.000 0.451 162 N N 0.971 119.669 118.700 -0.004 0.000 2.270 162 N HA 0.107 4.846 4.740 -0.001 0.000 0.198 162 N C -0.264 175.246 175.510 0.002 0.000 1.117 162 N CA -0.026 53.023 53.050 -0.002 0.000 0.845 162 N CB 0.257 38.742 38.487 -0.003 0.000 0.980 162 N HN 0.202 nan 8.380 nan 0.000 0.486 163 L N 1.542 122.767 121.223 0.004 0.000 2.583 163 L HA 0.151 4.491 4.340 -0.001 0.000 0.239 163 L C 1.365 178.241 176.870 0.010 0.000 1.347 163 L CA -0.079 54.766 54.840 0.007 0.000 1.246 163 L CB -0.385 41.680 42.059 0.010 0.000 1.496 163 L HN 0.055 nan 8.230 nan 0.000 0.413 164 T N -4.549 110.010 114.554 0.008 0.000 3.160 164 T HA -0.019 4.330 4.350 -0.001 0.000 0.257 164 T C 1.284 175.990 174.700 0.010 0.000 1.147 164 T CA 0.255 62.360 62.100 0.008 0.000 1.064 164 T CB -0.101 68.770 68.868 0.006 0.000 0.949 164 T HN 0.334 nan 8.240 nan 0.000 0.526 165 N N 0.944 119.650 118.700 0.011 0.000 2.336 165 N HA 0.223 4.962 4.740 -0.001 0.000 0.189 165 N C 0.188 175.707 175.510 0.016 0.000 1.113 165 N CA -0.025 53.032 53.050 0.012 0.000 0.858 165 N CB -0.024 38.470 38.487 0.011 0.000 0.970 165 N HN 0.469 nan 8.380 nan 0.000 0.471 166 L N 1.328 122.562 121.223 0.018 0.000 2.499 166 L HA -0.012 4.328 4.340 -0.001 0.000 0.273 166 L C 1.136 178.021 176.870 0.025 0.000 1.195 166 L CA 0.300 55.154 54.840 0.024 0.000 0.882 166 L CB 0.298 42.374 42.059 0.028 0.000 1.133 166 L HN 0.101 nan 8.230 nan 0.000 0.483 167 N N 1.898 120.614 118.700 0.026 0.000 2.454 167 N HA 0.089 4.828 4.740 -0.001 0.000 0.177 167 N C 0.235 175.764 175.510 0.032 0.000 1.049 167 N CA -0.015 53.050 53.050 0.026 0.000 0.887 167 N CB 0.455 38.955 38.487 0.021 0.000 1.095 167 N HN 0.445 nan 8.380 nan 0.000 0.446 168 R N 1.230 121.752 120.500 0.038 0.000 2.476 168 R HA 0.433 4.772 4.340 -0.001 0.000 0.305 168 R C -2.069 174.266 176.300 0.058 0.000 0.965 168 R CA -0.582 55.546 56.100 0.047 0.000 0.867 168 R CB 1.079 31.407 30.300 0.046 0.000 1.176 168 R HN -0.046 nan 8.270 nan 0.000 0.447 169 L N 3.681 124.947 121.223 0.072 0.000 2.446 169 L HA 0.442 4.781 4.340 -0.001 0.000 0.268 169 L C -1.413 175.526 176.870 0.116 0.000 0.975 169 L CA -0.215 54.678 54.840 0.088 0.000 0.848 169 L CB 1.922 44.031 42.059 0.084 0.000 1.225 169 L HN 0.588 nan 8.230 nan 0.000 0.410 170 E N 6.544 126.830 120.200 0.143 0.000 2.114 170 E HA 0.387 4.736 4.350 -0.001 0.000 0.266 170 E C -0.216 176.515 176.600 0.217 0.000 0.896 170 E CA -0.105 56.415 56.400 0.199 0.000 0.750 170 E CB 2.027 31.924 29.700 0.329 0.000 1.121 170 E HN 0.716 nan 8.360 nan 0.000 0.413 171 L N 1.347 122.691 121.223 0.201 0.000 3.184 171 L HA 0.145 4.485 4.340 -0.001 0.000 0.283 171 L C 0.855 177.842 176.870 0.194 0.000 1.218 171 L CA -0.151 54.806 54.840 0.195 0.000 1.028 171 L CB 0.948 43.122 42.059 0.192 0.000 1.400 171 L HN 0.238 nan 8.230 nan 0.000 0.591 172 S N -0.351 115.446 115.700 0.162 0.000 2.563 172 S HA 0.077 4.547 4.470 -0.001 0.000 0.284 172 S C 1.174 175.857 174.600 0.139 0.000 1.331 172 S CA 0.932 59.186 58.200 0.090 0.000 1.047 172 S CB 0.524 63.709 63.200 -0.025 0.000 0.859 172 S HN 0.391 nan 8.310 nan 0.000 0.514 173 S N 2.029 117.784 115.700 0.092 0.000 3.593 173 S HA -0.126 4.343 4.470 -0.001 0.000 0.301 173 S C 0.002 174.658 174.600 0.095 0.000 1.209 173 S CA 0.734 58.989 58.200 0.092 0.000 0.878 173 S CB -1.870 61.400 63.200 0.116 0.000 1.000 173 S HN 0.825 nan 8.310 nan 0.000 0.578 174 N N 0.193 118.949 118.700 0.094 0.000 2.992 174 N HA 0.543 5.283 4.740 -0.001 0.000 0.338 174 N C 0.569 176.118 175.510 0.065 0.000 1.376 174 N CA 0.374 53.471 53.050 0.077 0.000 0.778 174 N CB 0.879 39.416 38.487 0.083 0.000 1.232 174 N HN 0.437 nan 8.380 nan 0.000 0.581 175 T N -1.508 113.078 114.554 0.053 0.000 3.448 175 T HA 0.472 4.821 4.350 -0.001 0.000 0.271 175 T C 0.331 175.055 174.700 0.040 0.000 1.002 175 T CA -0.334 61.792 62.100 0.044 0.000 0.995 175 T CB -1.011 67.875 68.868 0.030 0.000 1.153 175 T HN 0.242 nan 8.240 nan 0.000 0.510 176 I N 2.557 123.159 120.570 0.054 0.000 2.496 176 I HA 0.225 4.395 4.170 -0.001 0.000 0.285 176 I C 1.434 177.569 176.117 0.030 0.000 1.080 176 I CA -0.237 61.084 61.300 0.035 0.000 1.404 176 I CB 1.326 39.350 38.000 0.041 0.000 1.403 176 I HN 0.471 nan 8.210 nan 0.000 0.539 177 S N 2.076 117.777 115.700 0.001 0.000 2.524 177 S HA 0.135 4.604 4.470 -0.001 0.000 0.222 177 S C 0.261 174.838 174.600 -0.039 0.000 1.040 177 S CA -0.314 57.884 58.200 -0.004 0.000 0.915 177 S CB 0.306 63.507 63.200 0.002 0.000 0.831 177 S HN 0.652 nan 8.310 nan 0.000 0.492 178 D N 1.872 122.236 120.400 -0.060 0.000 2.481 178 D HA 0.366 5.006 4.640 -0.001 0.000 0.246 178 D C 0.328 176.549 176.300 -0.132 0.000 1.109 178 D CA -0.677 53.274 54.000 -0.081 0.000 0.845 178 D CB 1.444 42.212 40.800 -0.053 0.000 1.160 178 D HN 0.440 nan 8.370 nan 0.000 0.534 179 I N 0.659 121.112 120.570 -0.196 0.000 3.891 179 I HA 0.188 4.357 4.170 -0.001 0.000 0.331 179 I C 1.130 177.146 176.117 -0.168 0.000 1.406 179 I CA -0.440 60.700 61.300 -0.266 0.000 1.139 179 I CB 0.324 37.999 38.000 -0.541 0.000 1.056 179 I HN -0.022 nan 8.210 nan 0.000 0.399 180 S N 2.195 117.830 115.700 -0.108 0.000 2.387 180 S HA -0.231 4.238 4.470 -0.001 0.000 0.230 180 S C 2.248 176.810 174.600 -0.063 0.000 1.035 180 S CA 1.817 59.974 58.200 -0.073 0.000 1.014 180 S CB -0.265 62.904 63.200 -0.052 0.000 0.836 180 S HN 0.762 nan 8.310 nan 0.000 0.466 181 A N 0.886 123.667 122.820 -0.065 0.000 2.125 181 A HA 0.077 4.397 4.320 -0.001 0.000 0.219 181 A C 1.845 179.403 177.584 -0.044 0.000 1.156 181 A CA 0.818 52.827 52.037 -0.047 0.000 0.671 181 A CB -0.563 18.412 19.000 -0.042 0.000 0.794 181 A HN 0.507 nan 8.150 nan 0.000 0.459 182 L N 0.327 121.513 121.223 -0.063 0.000 2.554 182 L HA -0.066 4.274 4.340 -0.001 0.000 0.226 182 L C 2.624 179.478 176.870 -0.027 0.000 1.137 182 L CA 0.929 55.742 54.840 -0.045 0.000 0.863 182 L CB -0.353 41.662 42.059 -0.074 0.000 0.985 182 L HN 0.579 nan 8.230 nan 0.000 0.451 183 S N -0.238 115.444 115.700 -0.030 0.000 2.442 183 S HA -0.097 4.372 4.470 -0.001 0.000 0.236 183 S C 1.795 176.391 174.600 -0.008 0.000 1.007 183 S CA 1.001 59.190 58.200 -0.019 0.000 0.965 183 S CB -0.462 62.725 63.200 -0.022 0.000 0.773 183 S HN 0.422 nan 8.310 nan 0.000 0.504 184 G N 0.609 109.404 108.800 -0.007 0.000 3.088 184 G HA2 0.366 4.325 3.960 -0.001 0.000 0.217 184 G HA3 0.366 4.325 3.960 -0.001 0.000 0.217 184 G C 0.457 175.358 174.900 0.002 0.000 1.159 184 G CA -0.411 44.687 45.100 -0.003 0.000 0.760 184 G HN 0.511 nan 8.290 nan 0.000 0.550 185 L N 2.835 124.061 121.223 0.005 0.000 2.480 185 L HA 0.162 4.502 4.340 -0.001 0.000 0.243 185 L C 1.591 178.470 176.870 0.016 0.000 1.315 185 L CA -0.172 54.675 54.840 0.012 0.000 1.231 185 L CB -0.058 42.011 42.059 0.016 0.000 1.444 185 L HN 0.165 nan 8.230 nan 0.000 0.409 186 T N -5.368 109.193 114.554 0.012 0.000 3.194 186 T HA 0.010 4.360 4.350 -0.001 0.000 0.251 186 T C 1.346 176.055 174.700 0.014 0.000 1.132 186 T CA 0.033 62.141 62.100 0.013 0.000 1.028 186 T CB 0.165 69.039 68.868 0.009 0.000 0.976 186 T HN 0.304 nan 8.240 nan 0.000 0.535 187 S N 0.633 116.342 115.700 0.015 0.000 2.540 187 S HA 0.377 4.847 4.470 -0.001 0.000 0.218 187 S C 0.532 175.144 174.600 0.020 0.000 0.977 187 S CA -0.488 57.722 58.200 0.016 0.000 0.918 187 S CB -0.207 63.002 63.200 0.014 0.000 0.806 187 S HN 0.495 nan 8.310 nan 0.000 0.496 188 L N 2.094 123.332 121.223 0.024 0.000 2.513 188 L HA 0.075 4.414 4.340 -0.001 0.000 0.272 188 L C 1.298 178.184 176.870 0.027 0.000 1.187 188 L CA 0.273 55.132 54.840 0.031 0.000 0.895 188 L CB 0.545 42.628 42.059 0.041 0.000 1.147 188 L HN 0.242 nan 8.230 nan 0.000 0.483 189 Q N 1.668 121.482 119.800 0.025 0.000 2.402 189 Q HA 0.152 4.492 4.340 -0.001 0.000 0.231 189 Q C -0.335 175.676 176.000 0.018 0.000 0.888 189 Q CA 0.425 56.240 55.803 0.019 0.000 0.938 189 Q CB 0.768 29.515 28.738 0.015 0.000 1.086 189 Q HN 0.617 nan 8.270 nan 0.000 0.543 190 Q N 0.397 120.212 119.800 0.024 0.000 2.372 190 Q HA 0.636 4.975 4.340 -0.001 0.000 0.273 190 Q C -1.823 174.200 176.000 0.038 0.000 1.078 190 Q CA -0.716 55.099 55.803 0.021 0.000 0.806 190 Q CB 2.771 31.519 28.738 0.016 0.000 1.332 190 Q HN -0.021 nan 8.270 nan 0.000 0.435 191 L N 1.048 122.291 121.223 0.033 0.000 2.505 191 L HA 0.702 5.041 4.340 -0.001 0.000 0.259 191 L C -1.666 175.206 176.870 0.004 0.000 0.952 191 L CA -0.020 54.859 54.840 0.065 0.000 0.840 191 L CB 2.515 44.647 42.059 0.120 0.000 1.358 191 L HN 0.770 nan 8.230 nan 0.000 0.409 192 S N 2.549 118.264 115.700 0.025 0.000 2.564 192 S HA 0.974 5.443 4.470 -0.001 0.000 0.274 192 S C -1.015 173.601 174.600 0.027 0.000 1.124 192 S CA -0.512 57.621 58.200 -0.112 0.000 0.869 192 S CB 1.877 65.021 63.200 -0.094 0.000 1.105 192 S HN 1.105 nan 8.310 nan 0.000 0.472 193 F N -1.792 118.171 119.950 0.022 0.000 2.719 193 F HA 0.958 5.485 4.527 -0.001 0.000 0.309 193 F C -0.276 175.537 175.800 0.022 0.000 1.138 193 F CA -0.295 57.722 58.000 0.029 0.000 0.943 193 F CB 1.052 40.066 39.000 0.023 0.000 1.304 193 F HN 1.102 nan 8.300 nan 0.000 0.445 194 G N 0.702 109.673 108.800 0.284 0.000 2.506 194 G HA2 0.427 4.386 3.960 -0.001 0.000 0.292 194 G HA3 0.427 4.386 3.960 -0.001 0.000 0.292 194 G C -1.857 173.129 174.900 0.145 0.000 1.425 194 G CA -0.990 44.219 45.100 0.182 0.000 0.788 194 G HN 0.662 nan 8.290 nan 0.000 0.490 195 N N -0.595 118.166 118.700 0.101 0.000 2.240 195 N HA 0.195 4.934 4.740 -0.001 0.000 0.240 195 N C 0.384 175.937 175.510 0.071 0.000 1.277 195 N CA -0.048 53.050 53.050 0.080 0.000 0.873 195 N CB 1.299 39.817 38.487 0.052 0.000 1.222 195 N HN 0.489 nan 8.380 nan 0.000 0.507 196 Q N 0.201 120.048 119.800 0.079 0.000 2.106 196 Q HA 0.280 4.620 4.340 -0.001 0.000 0.273 196 Q C -0.727 175.309 176.000 0.060 0.000 0.853 196 Q CA -0.067 55.770 55.803 0.056 0.000 1.118 196 Q CB 1.715 30.476 28.738 0.038 0.000 1.240 196 Q HN -0.023 nan 8.270 nan 0.000 0.445 197 V N 0.596 120.570 119.914 0.099 0.000 2.498 197 V HA 0.110 4.229 4.120 -0.001 0.000 0.279 197 V C 0.949 177.091 176.094 0.081 0.000 1.048 197 V CA 0.484 62.840 62.300 0.093 0.000 0.967 197 V CB 1.528 33.456 31.823 0.176 0.000 0.988 197 V HN 0.298 nan 8.190 nan 0.000 0.473 198 T N 1.523 116.105 114.554 0.047 0.000 3.026 198 T HA 0.069 4.419 4.350 -0.001 0.000 0.245 198 T C 0.372 175.095 174.700 0.037 0.000 1.004 198 T CA 0.205 62.329 62.100 0.040 0.000 1.069 198 T CB 0.121 69.002 68.868 0.023 0.000 1.005 198 T HN 0.705 nan 8.240 nan 0.000 0.472 199 D N 1.429 121.841 120.400 0.020 0.000 2.412 199 D HA 0.273 4.912 4.640 -0.001 0.000 0.224 199 D C 0.553 176.855 176.300 0.004 0.000 1.093 199 D CA -0.302 53.703 54.000 0.008 0.000 0.850 199 D CB 0.656 41.451 40.800 -0.008 0.000 1.046 199 D HN 0.149 nan 8.370 nan 0.000 0.507 200 L N 3.383 124.624 121.223 0.030 0.000 2.592 200 L HA 0.133 4.472 4.340 -0.001 0.000 0.227 200 L C 2.097 178.979 176.870 0.020 0.000 1.127 200 L CA -0.037 54.831 54.840 0.046 0.000 0.884 200 L CB 0.058 42.174 42.059 0.094 0.000 1.065 200 L HN 0.284 nan 8.230 nan 0.000 0.457 201 K N 0.785 121.187 120.400 0.004 0.000 2.160 201 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 201 K C -0.579 176.017 176.600 -0.008 0.000 1.047 201 K CA 1.312 57.599 56.287 0.000 0.000 0.930 201 K CB -0.941 31.556 32.500 -0.004 0.000 0.720 201 K HN 0.273 nan 8.250 nan 0.000 0.450 202 P HA -0.131 nan 4.420 nan 0.000 0.226 202 P C 0.704 177.993 177.300 -0.018 0.000 1.146 202 P CA 1.009 64.088 63.100 -0.035 0.000 0.773 202 P CB 0.020 31.678 31.700 -0.071 0.000 0.772 203 L N -1.868 119.358 121.223 0.004 0.000 2.552 203 L HA 0.051 4.391 4.340 -0.001 0.000 0.227 203 L C 2.262 179.147 176.870 0.025 0.000 1.146 203 L CA 0.416 55.274 54.840 0.031 0.000 0.858 203 L CB -0.850 41.253 42.059 0.072 0.000 0.969 203 L HN -0.027 nan 8.230 nan 0.000 0.451 204 A N 0.743 123.572 122.820 0.015 0.000 1.948 204 A HA -0.258 4.062 4.320 -0.001 0.000 0.220 204 A C 1.920 179.512 177.584 0.012 0.000 1.177 204 A CA 2.185 54.230 52.037 0.013 0.000 0.636 204 A CB -0.486 18.519 19.000 0.008 0.000 0.815 204 A HN 0.451 nan 8.150 nan 0.000 0.449 205 N N -0.580 118.126 118.700 0.010 0.000 2.251 205 N HA 0.186 4.925 4.740 -0.001 0.000 0.217 205 N C -0.038 175.479 175.510 0.012 0.000 1.124 205 N CA -0.018 53.038 53.050 0.009 0.000 0.843 205 N CB -0.173 38.317 38.487 0.005 0.000 1.024 205 N HN 0.381 nan 8.380 nan 0.000 0.501 206 L N 1.084 122.318 121.223 0.018 0.000 2.934 206 L HA 0.192 4.532 4.340 -0.001 0.000 0.233 206 L C 1.188 178.071 176.870 0.022 0.000 1.358 206 L CA -0.084 54.770 54.840 0.023 0.000 1.233 206 L CB -0.544 41.535 42.059 0.034 0.000 1.594 206 L HN 0.194 nan 8.230 nan 0.000 0.439 207 T N -5.606 108.958 114.554 0.016 0.000 3.113 207 T HA -0.109 4.241 4.350 -0.001 0.000 0.263 207 T C 1.544 176.252 174.700 0.013 0.000 1.143 207 T CA 0.760 62.869 62.100 0.014 0.000 1.090 207 T CB -0.202 68.672 68.868 0.010 0.000 0.922 207 T HN 0.269 nan 8.240 nan 0.000 0.521 208 T N 1.802 116.364 114.554 0.014 0.000 3.148 208 T HA 0.303 4.652 4.350 -0.001 0.000 0.253 208 T C 0.617 175.326 174.700 0.015 0.000 1.134 208 T CA -0.111 61.997 62.100 0.013 0.000 1.051 208 T CB -0.433 68.443 68.868 0.013 0.000 0.959 208 T HN 0.416 nan 8.240 nan 0.000 0.525 209 L N 1.908 123.142 121.223 0.019 0.000 2.499 209 L HA 0.059 4.399 4.340 -0.001 0.000 0.273 209 L C 1.279 178.156 176.870 0.011 0.000 1.195 209 L CA 0.437 55.288 54.840 0.020 0.000 0.882 209 L CB 0.593 42.669 42.059 0.028 0.000 1.133 209 L HN 0.247 nan 8.230 nan 0.000 0.483 210 E N 2.617 122.822 120.200 0.008 0.000 2.364 210 E HA 0.164 4.513 4.350 -0.001 0.000 0.203 210 E C -0.143 176.453 176.600 -0.006 0.000 0.888 210 E CA 0.065 56.465 56.400 0.001 0.000 0.989 210 E CB 0.654 30.355 29.700 0.000 0.000 0.985 210 E HN 0.508 nan 8.360 nan 0.000 0.499 211 R N 1.007 121.503 120.500 -0.007 0.000 2.561 211 R HA 0.554 4.894 4.340 -0.001 0.000 0.297 211 R C -1.489 174.797 176.300 -0.024 0.000 0.969 211 R CA -0.795 55.294 56.100 -0.020 0.000 0.879 211 R CB 2.256 32.542 30.300 -0.023 0.000 1.178 211 R HN -0.086 nan 8.270 nan 0.000 0.445 212 L N 1.985 123.181 121.223 -0.044 0.000 2.438 212 L HA 0.434 4.773 4.340 -0.001 0.000 0.270 212 L C -1.624 175.173 176.870 -0.121 0.000 0.972 212 L CA -0.370 54.429 54.840 -0.069 0.000 0.831 212 L CB 2.052 44.085 42.059 -0.044 0.000 1.273 212 L HN 0.516 nan 8.230 nan 0.000 0.405 213 D N 4.932 125.219 120.400 -0.189 0.000 2.469 213 D HA 0.329 4.969 4.640 -0.001 0.000 0.251 213 D C 0.226 176.296 176.300 -0.384 0.000 1.173 213 D CA -0.245 53.621 54.000 -0.223 0.000 0.882 213 D CB 0.996 41.688 40.800 -0.180 0.000 1.129 213 D HN 0.610 nan 8.370 nan 0.000 0.549 214 I N 1.011 121.366 120.570 -0.358 0.000 3.877 214 I HA 0.269 4.438 4.170 -0.001 0.000 0.332 214 I C 0.272 176.257 176.117 -0.220 0.000 1.525 214 I CA -0.650 60.384 61.300 -0.442 0.000 1.146 214 I CB 0.034 37.825 38.000 -0.347 0.000 1.137 214 I HN 0.115 nan 8.210 nan 0.000 0.424 215 S N 0.375 115.972 115.700 -0.173 0.000 2.558 215 S HA 0.147 4.617 4.470 -0.001 0.000 0.288 215 S C 0.772 175.329 174.600 -0.072 0.000 1.318 215 S CA 0.193 58.331 58.200 -0.103 0.000 1.056 215 S CB 0.650 63.793 63.200 -0.094 0.000 0.853 215 S HN 0.546 nan 8.310 nan 0.000 0.505 216 S N 1.911 117.587 115.700 -0.040 0.000 3.797 216 S HA -0.126 4.343 4.470 -0.001 0.000 0.374 216 S C 0.052 174.656 174.600 0.006 0.000 0.970 216 S CA 0.515 58.706 58.200 -0.015 0.000 1.177 216 S CB -2.008 61.185 63.200 -0.012 0.000 0.891 216 S HN 0.852 nan 8.310 nan 0.000 0.491 217 N N 0.680 119.387 118.700 0.012 0.000 3.124 217 N HA 0.427 5.166 4.740 -0.001 0.000 0.350 217 N C 0.278 175.810 175.510 0.036 0.000 1.411 217 N CA -0.749 52.328 53.050 0.046 0.000 0.729 217 N CB 0.584 39.124 38.487 0.089 0.000 1.379 217 N HN 0.180 nan 8.380 nan 0.000 0.599 218 K N 0.703 121.130 120.400 0.046 0.000 2.758 218 K HA 0.334 4.653 4.320 -0.001 0.000 0.208 218 K C -0.808 175.811 176.600 0.033 0.000 1.091 218 K CA -0.123 56.183 56.287 0.032 0.000 1.059 218 K CB 0.822 33.340 32.500 0.030 0.000 0.801 218 K HN 0.136 nan 8.250 nan 0.000 0.470 219 V N 1.952 121.888 119.914 0.037 0.000 2.488 219 V HA -0.009 4.111 4.120 -0.001 0.000 0.277 219 V C 1.229 177.337 176.094 0.022 0.000 1.046 219 V CA 0.263 62.585 62.300 0.037 0.000 0.986 219 V CB 1.311 33.163 31.823 0.049 0.000 0.989 219 V HN 0.446 nan 8.190 nan 0.000 0.475 220 S N 2.075 117.787 115.700 0.020 0.000 2.545 220 S HA 0.091 4.561 4.470 -0.001 0.000 0.232 220 S C 0.585 175.193 174.600 0.013 0.000 1.070 220 S CA -0.038 58.170 58.200 0.013 0.000 0.923 220 S CB 0.164 63.370 63.200 0.010 0.000 0.806 220 S HN 0.691 nan 8.310 nan 0.000 0.506 221 D N 2.278 122.688 120.400 0.018 0.000 2.428 221 D HA 0.291 4.930 4.640 -0.001 0.000 0.221 221 D C 0.572 176.885 176.300 0.022 0.000 1.123 221 D CA -0.714 53.296 54.000 0.016 0.000 0.869 221 D CB 0.596 41.405 40.800 0.015 0.000 1.032 221 D HN 0.546 nan 8.370 nan 0.000 0.506 222 I N 1.007 121.587 120.570 0.018 0.000 3.891 222 I HA 0.129 4.298 4.170 -0.001 0.000 0.331 222 I C 1.450 177.578 176.117 0.017 0.000 1.406 222 I CA -0.375 60.937 61.300 0.020 0.000 1.139 222 I CB -0.019 37.989 38.000 0.014 0.000 1.056 222 I HN 0.157 nan 8.210 nan 0.000 0.399 223 S N 1.826 117.535 115.700 0.015 0.000 2.402 223 S HA -0.218 4.251 4.470 -0.001 0.000 0.233 223 S C 1.958 176.567 174.600 0.014 0.000 1.030 223 S CA 1.472 59.680 58.200 0.012 0.000 1.003 223 S CB -1.294 61.912 63.200 0.010 0.000 0.813 223 S HN 0.613 nan 8.310 nan 0.000 0.477 224 V N 0.130 120.056 119.914 0.019 0.000 2.867 224 V HA 0.057 4.176 4.120 -0.001 0.000 0.260 224 V C 2.143 178.251 176.094 0.023 0.000 1.099 224 V CA 1.330 63.643 62.300 0.021 0.000 1.122 224 V CB -1.192 30.647 31.823 0.026 0.000 0.708 224 V HN 0.545 nan 8.190 nan 0.000 0.490 225 L N 0.616 121.853 121.223 0.023 0.000 2.275 225 L HA 0.041 4.381 4.340 -0.001 0.000 0.215 225 L C 2.967 179.844 176.870 0.013 0.000 1.119 225 L CA 1.156 56.008 54.840 0.020 0.000 0.790 225 L CB -0.877 41.191 42.059 0.016 0.000 0.919 225 L HN 0.436 nan 8.230 nan 0.000 0.443 226 A N 0.513 123.339 122.820 0.010 0.000 2.024 226 A HA -0.204 4.115 4.320 -0.001 0.000 0.220 226 A C 2.283 179.872 177.584 0.008 0.000 1.164 226 A CA 1.438 53.479 52.037 0.007 0.000 0.643 226 A CB -0.288 18.716 19.000 0.006 0.000 0.806 226 A HN 0.363 nan 8.150 nan 0.000 0.451 227 K N -0.486 119.921 120.400 0.010 0.000 2.217 227 K HA 0.066 4.386 4.320 -0.001 0.000 0.202 227 K C 0.074 176.681 176.600 0.011 0.000 1.051 227 K CA 0.509 56.802 56.287 0.010 0.000 0.952 227 K CB -0.203 32.304 32.500 0.012 0.000 0.736 227 K HN 0.439 nan 8.250 nan 0.000 0.453 228 L N 2.635 123.866 121.223 0.012 0.000 2.536 228 L HA 0.084 4.423 4.340 -0.001 0.000 0.242 228 L C 1.166 178.040 176.870 0.008 0.000 1.280 228 L CA -0.262 54.586 54.840 0.013 0.000 1.221 228 L CB -0.253 41.816 42.059 0.018 0.000 1.449 228 L HN 0.193 nan 8.230 nan 0.000 0.405 229 T N -4.285 110.273 114.554 0.006 0.000 3.118 229 T HA -0.041 4.309 4.350 -0.001 0.000 0.260 229 T C 1.308 176.010 174.700 0.003 0.000 1.139 229 T CA 0.349 62.451 62.100 0.004 0.000 1.085 229 T CB -0.109 68.761 68.868 0.003 0.000 0.934 229 T HN 0.355 nan 8.240 nan 0.000 0.518 230 N N 1.044 119.746 118.700 0.004 0.000 2.398 230 N HA 0.197 4.937 4.740 -0.001 0.000 0.188 230 N C 0.166 175.676 175.510 0.001 0.000 1.122 230 N CA 0.009 53.061 53.050 0.002 0.000 0.866 230 N CB -0.081 38.408 38.487 0.004 0.000 0.970 230 N HN 0.480 nan 8.380 nan 0.000 0.462 231 L N 1.341 122.564 121.223 0.000 0.000 2.513 231 L HA -0.009 4.331 4.340 -0.001 0.000 0.272 231 L C 1.406 178.272 176.870 -0.007 0.000 1.187 231 L CA 0.427 55.265 54.840 -0.003 0.000 0.895 231 L CB 0.623 42.680 42.059 -0.004 0.000 1.147 231 L HN 0.065 nan 8.230 nan 0.000 0.483 232 E N 0.911 121.105 120.200 -0.010 0.000 2.372 232 E HA 0.050 4.400 4.350 -0.001 0.000 0.201 232 E C 0.121 176.710 176.600 -0.018 0.000 0.938 232 E CA 0.080 56.473 56.400 -0.013 0.000 0.944 232 E CB 1.011 30.704 29.700 -0.012 0.000 0.937 232 E HN 0.492 nan 8.360 nan 0.000 0.495 233 S N 0.838 116.524 115.700 -0.023 0.000 2.614 233 S HA 0.489 4.958 4.470 -0.001 0.000 0.288 233 S C -1.719 172.859 174.600 -0.037 0.000 1.137 233 S CA -0.729 57.452 58.200 -0.031 0.000 0.992 233 S CB 1.069 64.248 63.200 -0.036 0.000 1.026 233 S HN 0.091 nan 8.310 nan 0.000 0.486 234 L N 6.321 127.520 121.223 -0.040 0.000 2.404 234 L HA 0.700 5.039 4.340 -0.001 0.000 0.272 234 L C -1.662 175.173 176.870 -0.057 0.000 0.980 234 L CA -0.293 54.519 54.840 -0.048 0.000 0.836 234 L CB 1.262 43.299 42.059 -0.036 0.000 1.238 234 L HN 0.724 nan 8.230 nan 0.000 0.408 235 I N 5.347 125.871 120.570 -0.077 0.000 2.382 235 I HA 0.636 4.806 4.170 -0.001 0.000 0.286 235 I C 0.326 176.387 176.117 -0.094 0.000 1.002 235 I CA -0.239 61.011 61.300 -0.082 0.000 1.135 235 I CB 1.954 39.899 38.000 -0.093 0.000 1.288 235 I HN 0.809 nan 8.210 nan 0.000 0.448 236 A N 3.839 126.614 122.820 -0.074 0.000 2.585 236 A HA 0.308 4.628 4.320 -0.001 0.000 0.281 236 A C 0.375 177.927 177.584 -0.053 0.000 0.945 236 A CA -0.302 51.693 52.037 -0.069 0.000 1.031 236 A CB 0.009 18.978 19.000 -0.052 0.000 1.221 236 A HN 0.571 nan 8.150 nan 0.000 0.496 237 T N 2.233 116.754 114.554 -0.056 0.000 2.933 237 T HA 0.142 4.492 4.350 -0.001 0.000 0.306 237 T C 0.375 175.054 174.700 -0.036 0.000 1.045 237 T CA 0.823 62.897 62.100 -0.044 0.000 1.143 237 T CB -0.113 68.726 68.868 -0.048 0.000 1.003 237 T HN 0.578 nan 8.240 nan 0.000 0.540 238 N N 2.653 121.338 118.700 -0.026 0.000 2.708 238 N HA -0.150 4.589 4.740 -0.001 0.000 0.255 238 N C -0.313 175.189 175.510 -0.014 0.000 1.046 238 N CA 0.514 53.553 53.050 -0.018 0.000 0.715 238 N CB -1.063 37.413 38.487 -0.017 0.000 0.895 238 N HN 0.599 nan 8.380 nan 0.000 0.545 239 N N 0.186 118.878 118.700 -0.013 0.000 3.255 239 N HA 0.342 5.081 4.740 -0.001 0.000 0.359 239 N C 0.109 175.618 175.510 -0.002 0.000 1.463 239 N CA -0.385 52.662 53.050 -0.005 0.000 0.695 239 N CB 0.481 38.965 38.487 -0.005 0.000 1.581 239 N HN 0.181 nan 8.380 nan 0.000 0.622 240 Q N 0.575 120.376 119.800 0.002 0.000 2.158 240 Q HA 0.441 4.780 4.340 -0.001 0.000 0.306 240 Q C -0.739 175.262 176.000 0.001 0.000 0.878 240 Q CA -0.121 55.683 55.803 0.002 0.000 1.136 240 Q CB 0.491 29.232 28.738 0.005 0.000 1.253 240 Q HN 0.414 nan 8.270 nan 0.000 0.441 241 I N 1.021 121.590 120.570 -0.001 0.000 2.416 241 I HA 0.023 4.192 4.170 -0.001 0.000 0.288 241 I C 1.130 177.245 176.117 -0.003 0.000 1.051 241 I CA 0.234 61.533 61.300 -0.002 0.000 1.375 241 I CB 1.302 39.300 38.000 -0.004 0.000 1.407 241 I HN 0.212 nan 8.210 nan 0.000 0.516 242 S N 1.906 117.605 115.700 -0.002 0.000 2.593 242 S HA 0.103 4.573 4.470 -0.001 0.000 0.235 242 S C 0.169 174.768 174.600 -0.003 0.000 1.059 242 S CA -0.391 57.807 58.200 -0.003 0.000 0.953 242 S CB 0.168 63.367 63.200 -0.002 0.000 0.897 242 S HN 0.661 nan 8.310 nan 0.000 0.507 243 D N 2.031 122.430 120.400 -0.001 0.000 2.414 243 D HA 0.392 5.031 4.640 -0.001 0.000 0.232 243 D C 0.523 176.822 176.300 -0.001 0.000 1.070 243 D CA -0.769 53.230 54.000 -0.001 0.000 0.839 243 D CB 0.935 41.736 40.800 0.001 0.000 1.079 243 D HN 0.452 nan 8.370 nan 0.000 0.521 244 I N 0.963 121.532 120.570 -0.003 0.000 3.941 244 I HA 0.170 4.340 4.170 -0.001 0.000 0.335 244 I C 1.436 177.551 176.117 -0.003 0.000 1.402 244 I CA -0.270 61.028 61.300 -0.003 0.000 1.112 244 I CB 0.001 37.997 38.000 -0.006 0.000 1.043 244 I HN 0.259 nan 8.210 nan 0.000 0.395 245 T N -0.602 113.951 114.554 -0.001 0.000 2.849 245 T HA -0.001 4.349 4.350 -0.001 0.000 0.270 245 T C -0.368 174.332 174.700 -0.000 0.000 1.066 245 T CA 1.080 63.179 62.100 -0.001 0.000 1.130 245 T CB -1.867 67.001 68.868 -0.000 0.000 0.864 245 T HN 0.302 nan 8.240 nan 0.000 0.481 246 P HA 0.055 nan 4.420 nan 0.000 0.221 246 P C 1.335 178.636 177.300 0.001 0.000 1.145 246 P CA 0.730 63.832 63.100 0.002 0.000 0.795 246 P CB -0.322 31.381 31.700 0.005 0.000 0.775 247 L N -1.891 119.332 121.223 -0.001 0.000 2.551 247 L HA 0.049 4.388 4.340 -0.001 0.000 0.228 247 L C 2.456 179.324 176.870 -0.003 0.000 1.153 247 L CA 0.825 55.663 54.840 -0.003 0.000 0.851 247 L CB -1.262 40.794 42.059 -0.005 0.000 0.959 247 L HN 0.064 nan 8.230 nan 0.000 0.451 248 G N 1.863 110.661 108.800 -0.002 0.000 2.442 248 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.219 248 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.219 248 G C 1.449 176.347 174.900 -0.002 0.000 1.141 248 G CA 0.978 46.077 45.100 -0.002 0.000 0.763 248 G HN 0.616 nan 8.290 nan 0.000 0.554 249 I N -1.947 118.623 120.570 -0.001 0.000 3.793 249 I HA 0.378 4.547 4.170 -0.001 0.000 0.315 249 I C 0.622 176.738 176.117 -0.001 0.000 1.275 249 I CA -0.060 61.240 61.300 -0.001 0.000 1.214 249 I CB 0.110 38.111 38.000 0.000 0.000 1.018 249 I HN -0.111 nan 8.210 nan 0.000 0.439 250 L N 2.973 124.195 121.223 -0.002 0.000 2.727 250 L HA 0.161 4.501 4.340 -0.001 0.000 0.237 250 L C 1.578 178.446 176.870 -0.004 0.000 1.370 250 L CA -0.129 54.710 54.840 -0.003 0.000 1.248 250 L CB -0.395 41.662 42.059 -0.003 0.000 1.556 250 L HN 0.374 nan 8.230 nan 0.000 0.420 251 T N -4.280 110.272 114.554 -0.004 0.000 3.113 251 T HA -0.126 4.223 4.350 -0.001 0.000 0.263 251 T C 1.386 176.083 174.700 -0.005 0.000 1.143 251 T CA 0.675 62.772 62.100 -0.004 0.000 1.090 251 T CB -0.179 68.687 68.868 -0.004 0.000 0.922 251 T HN 0.290 nan 8.240 nan 0.000 0.521 252 N N 0.316 119.014 118.700 -0.005 0.000 2.383 252 N HA 0.172 4.912 4.740 -0.001 0.000 0.192 252 N C -0.155 175.350 175.510 -0.008 0.000 1.141 252 N CA -0.157 52.890 53.050 -0.006 0.000 0.851 252 N CB -0.581 37.903 38.487 -0.004 0.000 0.976 252 N HN 0.479 nan 8.380 nan 0.000 0.465 253 L N 0.873 122.091 121.223 -0.009 0.000 2.418 253 L HA 0.107 4.446 4.340 -0.001 0.000 0.274 253 L C 0.669 177.531 176.870 -0.013 0.000 1.135 253 L CA -0.096 54.737 54.840 -0.012 0.000 0.870 253 L CB 0.850 42.901 42.059 -0.013 0.000 1.154 253 L HN 0.299 nan 8.230 nan 0.000 0.462 254 D N 0.411 120.802 120.400 -0.015 0.000 2.454 254 D HA 0.015 4.654 4.640 -0.001 0.000 0.214 254 D C 0.309 176.597 176.300 -0.020 0.000 1.088 254 D CA -0.196 53.794 54.000 -0.016 0.000 0.855 254 D CB 0.509 41.300 40.800 -0.015 0.000 1.025 254 D HN 0.437 nan 8.370 nan 0.000 0.502 255 E N 0.225 120.411 120.200 -0.023 0.000 2.241 255 E HA 0.480 4.830 4.350 -0.001 0.000 0.263 255 E C -1.964 174.617 176.600 -0.031 0.000 0.882 255 E CA -1.059 55.323 56.400 -0.029 0.000 0.769 255 E CB 1.599 31.279 29.700 -0.034 0.000 1.185 255 E HN 0.073 nan 8.360 nan 0.000 0.415 256 L N 3.254 124.458 121.223 -0.031 0.000 2.476 256 L HA 0.492 4.831 4.340 -0.001 0.000 0.269 256 L C -1.713 175.136 176.870 -0.034 0.000 0.965 256 L CA -0.204 54.618 54.840 -0.031 0.000 0.845 256 L CB 2.193 44.237 42.059 -0.025 0.000 1.259 256 L HN 0.406 nan 8.230 nan 0.000 0.403 257 S N 6.104 121.780 115.700 -0.040 0.000 2.640 257 S HA 0.600 5.069 4.470 -0.001 0.000 0.320 257 S C 0.160 174.737 174.600 -0.039 0.000 1.097 257 S CA -0.351 57.824 58.200 -0.041 0.000 1.092 257 S CB 1.028 64.199 63.200 -0.049 0.000 0.988 257 S HN 0.649 nan 8.310 nan 0.000 0.470 258 L N 2.743 123.946 121.223 -0.032 0.000 3.168 258 L HA 0.231 4.570 4.340 -0.001 0.000 0.277 258 L C 0.432 177.286 176.870 -0.026 0.000 1.245 258 L CA -0.430 54.393 54.840 -0.028 0.000 1.035 258 L CB 0.012 42.058 42.059 -0.023 0.000 1.399 258 L HN 0.577 nan 8.230 nan 0.000 0.580 259 N N 0.891 119.574 118.700 -0.028 0.000 2.441 259 N HA 0.025 4.765 4.740 -0.001 0.000 0.251 259 N C 0.937 176.433 175.510 -0.023 0.000 1.242 259 N CA 0.830 53.864 53.050 -0.025 0.000 0.898 259 N CB 0.823 39.294 38.487 -0.026 0.000 1.100 259 N HN 0.187 nan 8.380 nan 0.000 0.443 260 G N 0.228 109.016 108.800 -0.020 0.000 2.225 260 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.264 260 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.264 260 G C -0.304 174.587 174.900 -0.015 0.000 1.060 260 G CA 0.054 45.144 45.100 -0.017 0.000 0.833 260 G HN 0.806 nan 8.290 nan 0.000 0.498 261 N N -0.940 117.751 118.700 -0.015 0.000 3.312 261 N HA 0.450 5.189 4.740 -0.001 0.000 0.361 261 N C 0.436 175.940 175.510 -0.011 0.000 1.476 261 N CA -0.578 52.465 53.050 -0.012 0.000 0.669 261 N CB 0.578 39.057 38.487 -0.013 0.000 1.629 261 N HN 0.250 nan 8.380 nan 0.000 0.612 262 Q N 0.723 120.518 119.800 -0.009 0.000 2.217 262 Q HA 0.359 4.699 4.340 -0.001 0.000 0.340 262 Q C -1.019 174.977 176.000 -0.008 0.000 0.893 262 Q CA -0.259 55.540 55.803 -0.008 0.000 1.142 262 Q CB 0.554 29.289 28.738 -0.005 0.000 1.288 262 Q HN 0.239 nan 8.270 nan 0.000 0.426 263 L N 1.069 122.286 121.223 -0.009 0.000 2.331 263 L HA 0.165 4.505 4.340 -0.001 0.000 0.278 263 L C 0.896 177.760 176.870 -0.009 0.000 1.106 263 L CA 0.939 55.774 54.840 -0.009 0.000 0.824 263 L CB 0.830 42.883 42.059 -0.011 0.000 1.142 263 L HN 0.142 nan 8.230 nan 0.000 0.443 264 K N 1.071 121.467 120.400 -0.008 0.000 2.509 264 K HA 0.106 4.425 4.320 -0.001 0.000 0.205 264 K C -0.194 176.402 176.600 -0.007 0.000 1.336 264 K CA -0.319 55.964 56.287 -0.007 0.000 0.912 264 K CB 0.378 32.874 32.500 -0.006 0.000 1.568 264 K HN 0.568 nan 8.250 nan 0.000 0.475 265 D N 2.063 122.460 120.400 -0.006 0.000 2.338 265 D HA 0.057 4.696 4.640 -0.001 0.000 0.255 265 D C 0.427 176.724 176.300 -0.006 0.000 1.237 265 D CA -0.213 53.784 54.000 -0.005 0.000 0.883 265 D CB 0.649 41.446 40.800 -0.004 0.000 1.087 265 D HN 0.398 nan 8.370 nan 0.000 0.485 266 I N 0.894 121.460 120.570 -0.007 0.000 3.877 266 I HA 0.427 4.596 4.170 -0.001 0.000 0.332 266 I C 1.539 177.652 176.117 -0.007 0.000 1.525 266 I CA -0.790 60.505 61.300 -0.007 0.000 1.146 266 I CB 0.619 38.613 38.000 -0.009 0.000 1.137 266 I HN 0.318 nan 8.210 nan 0.000 0.424 267 G N 1.589 110.386 108.800 -0.006 0.000 2.469 267 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.220 267 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.220 267 G C 1.398 176.295 174.900 -0.005 0.000 1.136 267 G CA 1.665 46.762 45.100 -0.005 0.000 0.759 267 G HN 0.423 nan 8.290 nan 0.000 0.562 268 T N 1.458 116.009 114.554 -0.005 0.000 2.778 268 T HA -0.090 4.259 4.350 -0.001 0.000 0.269 268 T C 2.309 177.006 174.700 -0.006 0.000 1.050 268 T CA 0.910 63.007 62.100 -0.005 0.000 1.137 268 T CB -0.194 68.671 68.868 -0.005 0.000 0.860 268 T HN 0.225 nan 8.240 nan 0.000 0.468 269 L N 0.690 121.909 121.223 -0.007 0.000 2.265 269 L HA -0.041 4.299 4.340 -0.001 0.000 0.215 269 L C 2.948 179.814 176.870 -0.007 0.000 1.117 269 L CA 0.733 55.568 54.840 -0.008 0.000 0.782 269 L CB -0.712 41.341 42.059 -0.009 0.000 0.914 269 L HN 0.243 nan 8.230 nan 0.000 0.441 270 A N 0.286 123.103 122.820 -0.006 0.000 2.076 270 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 270 A C 2.411 179.992 177.584 -0.005 0.000 1.160 270 A CA 1.826 53.860 52.037 -0.006 0.000 0.653 270 A CB -0.474 18.523 19.000 -0.005 0.000 0.801 270 A HN 0.529 nan 8.150 nan 0.000 0.455 271 S N -0.900 114.797 115.700 -0.005 0.000 2.593 271 S HA 0.268 4.737 4.470 -0.001 0.000 0.217 271 S C 0.527 175.124 174.600 -0.005 0.000 0.966 271 S CA -0.102 58.096 58.200 -0.005 0.000 0.914 271 S CB -0.360 62.838 63.200 -0.004 0.000 0.776 271 S HN 0.371 nan 8.310 nan 0.000 0.523 272 L N 3.119 124.338 121.223 -0.006 0.000 2.657 272 L HA 0.292 4.631 4.340 -0.001 0.000 0.239 272 L C 1.309 178.175 176.870 -0.007 0.000 1.215 272 L CA -0.273 54.562 54.840 -0.007 0.000 1.161 272 L CB -0.152 41.902 42.059 -0.008 0.000 1.436 272 L HN 0.370 nan 8.230 nan 0.000 0.414 273 T N -4.414 110.136 114.554 -0.006 0.000 3.160 273 T HA -0.018 4.332 4.350 -0.001 0.000 0.257 273 T C 1.236 175.932 174.700 -0.007 0.000 1.147 273 T CA 0.312 62.408 62.100 -0.006 0.000 1.064 273 T CB -0.103 68.762 68.868 -0.005 0.000 0.949 273 T HN 0.317 nan 8.240 nan 0.000 0.526 274 N N 0.917 119.613 118.700 -0.007 0.000 2.336 274 N HA 0.236 4.976 4.740 -0.001 0.000 0.189 274 N C 0.088 175.592 175.510 -0.010 0.000 1.113 274 N CA -0.030 53.016 53.050 -0.008 0.000 0.858 274 N CB 0.055 38.537 38.487 -0.007 0.000 0.970 274 N HN 0.472 nan 8.380 nan 0.000 0.471 275 L N 1.061 122.278 121.223 -0.010 0.000 2.455 275 L HA 0.016 4.355 4.340 -0.001 0.000 0.272 275 L C 1.765 178.628 176.870 -0.012 0.000 1.174 275 L CA 0.294 55.126 54.840 -0.012 0.000 0.869 275 L CB 0.761 42.812 42.059 -0.013 0.000 1.130 275 L HN 0.149 nan 8.230 nan 0.000 0.474 276 T N -2.826 111.720 114.554 -0.015 0.000 2.964 276 T HA 0.153 4.502 4.350 -0.001 0.000 0.249 276 T C 0.222 174.912 174.700 -0.017 0.000 1.000 276 T CA -0.260 61.831 62.100 -0.015 0.000 0.992 276 T CB 0.319 69.178 68.868 -0.015 0.000 1.087 276 T HN 0.417 nan 8.240 nan 0.000 0.489 277 D N 0.736 121.123 120.400 -0.021 0.000 2.492 277 D HA 0.638 5.277 4.640 -0.001 0.000 0.248 277 D C -1.764 174.521 176.300 -0.025 0.000 1.101 277 D CA -0.400 53.584 54.000 -0.026 0.000 0.840 277 D CB 2.002 42.782 40.800 -0.033 0.000 1.209 277 D HN 0.217 nan 8.370 nan 0.000 0.524 278 L N 3.241 124.450 121.223 -0.023 0.000 2.439 278 L HA 0.513 4.853 4.340 -0.001 0.000 0.270 278 L C -1.844 175.012 176.870 -0.023 0.000 0.972 278 L CA -0.520 54.306 54.840 -0.022 0.000 0.836 278 L CB 1.931 43.980 42.059 -0.018 0.000 1.255 278 L HN 0.197 nan 8.230 nan 0.000 0.404 279 D N 4.953 125.337 120.400 -0.027 0.000 2.471 279 D HA 0.398 5.037 4.640 -0.001 0.000 0.245 279 D C -0.304 175.981 176.300 -0.025 0.000 1.116 279 D CA -0.071 53.912 54.000 -0.027 0.000 0.853 279 D CB 1.223 42.003 40.800 -0.033 0.000 1.123 279 D HN 0.668 nan 8.370 nan 0.000 0.540 280 L N 2.300 123.510 121.223 -0.023 0.000 3.122 280 L HA 0.446 4.786 4.340 -0.001 0.000 0.274 280 L C 0.883 177.739 176.870 -0.023 0.000 1.222 280 L CA -0.512 54.315 54.840 -0.022 0.000 1.028 280 L CB 0.604 42.651 42.059 -0.019 0.000 1.386 280 L HN 0.325 nan 8.230 nan 0.000 0.578 281 A N -0.081 122.724 122.820 -0.024 0.000 2.406 281 A HA 0.251 4.570 4.320 -0.001 0.000 0.243 281 A C 0.559 178.129 177.584 -0.024 0.000 1.082 281 A CA 0.164 52.185 52.037 -0.026 0.000 0.786 281 A CB -0.182 18.804 19.000 -0.024 0.000 1.029 281 A HN 0.634 nan 8.150 nan 0.000 0.495 282 N N 0.530 119.215 118.700 -0.025 0.000 2.681 282 N HA -0.143 4.597 4.740 -0.001 0.000 0.259 282 N C -0.410 175.088 175.510 -0.020 0.000 1.066 282 N CA 1.233 54.269 53.050 -0.023 0.000 0.717 282 N CB -0.983 37.492 38.487 -0.019 0.000 0.885 282 N HN 0.729 nan 8.380 nan 0.000 0.547 283 N N 0.024 118.712 118.700 -0.020 0.000 3.513 283 N HA 0.348 5.087 4.740 -0.001 0.000 0.351 283 N C -0.273 175.227 175.510 -0.016 0.000 1.624 283 N CA -0.464 52.576 53.050 -0.017 0.000 0.712 283 N CB 0.589 39.066 38.487 -0.016 0.000 2.106 283 N HN 0.213 nan 8.380 nan 0.000 0.649 284 Q N 0.546 120.338 119.800 -0.013 0.000 2.129 284 Q HA 0.461 4.801 4.340 -0.001 0.000 0.274 284 Q C -0.627 175.367 176.000 -0.011 0.000 0.854 284 Q CA -0.100 55.697 55.803 -0.012 0.000 1.123 284 Q CB 0.637 29.369 28.738 -0.009 0.000 1.226 284 Q HN 0.414 nan 8.270 nan 0.000 0.454 285 I N 1.042 121.604 120.570 -0.013 0.000 2.441 285 I HA 0.007 4.177 4.170 -0.001 0.000 0.287 285 I C 1.145 177.256 176.117 -0.011 0.000 1.049 285 I CA 0.267 61.559 61.300 -0.012 0.000 1.381 285 I CB 1.311 39.303 38.000 -0.014 0.000 1.409 285 I HN 0.220 nan 8.210 nan 0.000 0.523 286 S N 3.107 118.802 115.700 -0.009 0.000 2.670 286 S HA 0.047 4.517 4.470 -0.001 0.000 0.241 286 S C 0.601 175.196 174.600 -0.008 0.000 1.077 286 S CA -0.407 57.788 58.200 -0.008 0.000 0.899 286 S CB -0.079 63.117 63.200 -0.006 0.000 0.835 286 S HN 0.714 nan 8.310 nan 0.000 0.481 287 N N 1.439 120.134 118.700 -0.007 0.000 2.437 287 N HA 0.327 5.066 4.740 -0.001 0.000 0.243 287 N C 0.121 175.626 175.510 -0.008 0.000 1.041 287 N CA -0.233 52.813 53.050 -0.007 0.000 0.940 287 N CB 0.570 39.054 38.487 -0.006 0.000 1.133 287 N HN 0.307 nan 8.380 nan 0.000 0.506 288 L N 3.194 124.412 121.223 -0.008 0.000 2.592 288 L HA 0.173 4.513 4.340 -0.001 0.000 0.227 288 L C 2.274 179.139 176.870 -0.008 0.000 1.127 288 L CA -0.074 54.761 54.840 -0.009 0.000 0.884 288 L CB -0.105 41.948 42.059 -0.010 0.000 1.065 288 L HN 0.589 nan 8.230 nan 0.000 0.457 289 A N 1.400 124.216 122.820 -0.007 0.000 1.948 289 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 289 A C -0.188 177.392 177.584 -0.006 0.000 1.177 289 A CA 1.573 53.606 52.037 -0.006 0.000 0.636 289 A CB -1.533 17.464 19.000 -0.005 0.000 0.815 289 A HN 0.278 nan 8.150 nan 0.000 0.449 290 P HA -0.077 nan 4.420 nan 0.000 0.228 290 P C 0.927 178.223 177.300 -0.007 0.000 1.151 290 P CA 0.737 63.833 63.100 -0.006 0.000 0.770 290 P CB -0.082 31.614 31.700 -0.006 0.000 0.786 291 L N -1.243 119.976 121.223 -0.007 0.000 2.567 291 L HA 0.031 4.370 4.340 -0.001 0.000 0.225 291 L C 2.234 179.100 176.870 -0.007 0.000 1.119 291 L CA 0.739 55.575 54.840 -0.007 0.000 0.871 291 L CB -0.811 41.243 42.059 -0.008 0.000 1.036 291 L HN 0.078 nan 8.230 nan 0.000 0.459 292 S N 0.044 115.740 115.700 -0.006 0.000 2.419 292 S HA -0.109 4.360 4.470 -0.001 0.000 0.233 292 S C 1.795 176.391 174.600 -0.005 0.000 1.016 292 S CA 1.110 59.306 58.200 -0.006 0.000 0.974 292 S CB -0.534 62.662 63.200 -0.006 0.000 0.786 292 S HN 0.422 nan 8.310 nan 0.000 0.492 293 G N 0.561 109.358 108.800 -0.005 0.000 3.088 293 G HA2 0.371 4.331 3.960 -0.001 0.000 0.217 293 G HA3 0.371 4.331 3.960 -0.001 0.000 0.217 293 G C 0.477 175.374 174.900 -0.005 0.000 1.159 293 G CA -0.423 44.675 45.100 -0.005 0.000 0.760 293 G HN 0.508 nan 8.290 nan 0.000 0.550 294 L N 2.859 124.079 121.223 -0.006 0.000 2.583 294 L HA 0.129 4.468 4.340 -0.001 0.000 0.239 294 L C 1.948 178.815 176.870 -0.006 0.000 1.347 294 L CA -0.076 54.761 54.840 -0.006 0.000 1.246 294 L CB -0.239 41.816 42.059 -0.007 0.000 1.496 294 L HN 0.210 nan 8.230 nan 0.000 0.413 295 T N -4.118 110.433 114.554 -0.005 0.000 3.113 295 T HA -0.066 4.283 4.350 -0.001 0.000 0.263 295 T C 1.422 176.119 174.700 -0.004 0.000 1.143 295 T CA 0.449 62.546 62.100 -0.004 0.000 1.090 295 T CB -0.063 68.803 68.868 -0.004 0.000 0.922 295 T HN 0.379 nan 8.240 nan 0.000 0.521 296 K N 0.499 120.896 120.400 -0.005 0.000 2.459 296 K HA 0.267 4.587 4.320 -0.001 0.000 0.193 296 K C 0.374 176.970 176.600 -0.007 0.000 1.030 296 K CA -0.116 56.167 56.287 -0.006 0.000 1.026 296 K CB -0.100 32.396 32.500 -0.007 0.000 0.809 296 K HN 0.419 nan 8.250 nan 0.000 0.504 297 L N 1.982 123.201 121.223 -0.006 0.000 2.513 297 L HA -0.057 4.282 4.340 -0.001 0.000 0.272 297 L C 1.549 178.417 176.870 -0.005 0.000 1.187 297 L CA 0.297 55.133 54.840 -0.007 0.000 0.895 297 L CB 0.606 42.661 42.059 -0.006 0.000 1.147 297 L HN 0.254 nan 8.230 nan 0.000 0.483 298 T N -1.528 113.022 114.554 -0.007 0.000 2.969 298 T HA 0.207 4.557 4.350 -0.001 0.000 0.250 298 T C 0.447 175.145 174.700 -0.003 0.000 1.021 298 T CA -0.242 61.855 62.100 -0.004 0.000 1.003 298 T CB 0.341 69.205 68.868 -0.008 0.000 1.040 298 T HN 0.548 nan 8.240 nan 0.000 0.492 299 E N 0.821 121.015 120.200 -0.009 0.000 2.246 299 E HA 0.607 4.957 4.350 -0.001 0.000 0.266 299 E C -2.096 174.499 176.600 -0.008 0.000 0.880 299 E CA -0.891 55.503 56.400 -0.010 0.000 0.762 299 E CB 2.602 32.285 29.700 -0.029 0.000 1.180 299 E HN 0.117 nan 8.360 nan 0.000 0.416 300 L N 2.811 124.035 121.223 0.002 0.000 2.441 300 L HA 0.395 4.735 4.340 -0.001 0.000 0.270 300 L C -1.573 175.299 176.870 0.003 0.000 0.973 300 L CA -0.430 54.410 54.840 -0.001 0.000 0.842 300 L CB 1.255 43.314 42.059 0.001 0.000 1.239 300 L HN 0.355 nan 8.230 nan 0.000 0.406 301 K N 6.339 126.736 120.400 -0.007 0.000 2.339 301 K HA 0.541 4.861 4.320 -0.001 0.000 0.264 301 K C -0.253 176.337 176.600 -0.018 0.000 0.986 301 K CA -0.368 55.914 56.287 -0.007 0.000 0.866 301 K CB 1.795 34.288 32.500 -0.012 0.000 1.103 301 K HN 0.642 nan 8.250 nan 0.000 0.441 302 L N 1.924 123.133 121.223 -0.024 0.000 3.333 302 L HA 0.205 4.544 4.340 -0.001 0.000 0.299 302 L C 0.810 177.651 176.870 -0.048 0.000 1.256 302 L CA -0.441 54.380 54.840 -0.032 0.000 1.037 302 L CB 1.185 43.228 42.059 -0.028 0.000 1.423 302 L HN 0.729 nan 8.230 nan 0.000 0.605 303 G N 0.045 108.809 108.800 -0.061 0.000 2.554 303 G HA2 0.311 4.271 3.960 -0.001 0.000 0.238 303 G HA3 0.311 4.271 3.960 -0.001 0.000 0.238 303 G C 0.822 175.682 174.900 -0.067 0.000 1.259 303 G CA 0.414 45.458 45.100 -0.093 0.000 0.843 303 G HN 0.478 nan 8.290 nan 0.000 0.582 304 A N 0.967 123.743 122.820 -0.073 0.000 2.578 304 A HA -0.154 4.165 4.320 -0.001 0.000 0.298 304 A C 0.631 178.192 177.584 -0.038 0.000 1.472 304 A CA 0.957 52.964 52.037 -0.051 0.000 0.734 304 A CB -1.935 17.040 19.000 -0.043 0.000 1.091 304 A HN 0.786 nan 8.150 nan 0.000 0.426 305 N N -0.771 117.908 118.700 -0.035 0.000 3.455 305 N HA 0.459 5.198 4.740 -0.001 0.000 0.358 305 N C 0.148 175.647 175.510 -0.019 0.000 1.580 305 N CA -0.438 52.597 53.050 -0.025 0.000 0.692 305 N CB 0.667 39.139 38.487 -0.026 0.000 1.978 305 N HN 0.518 nan 8.380 nan 0.000 0.651 306 Q N 1.186 120.977 119.800 -0.015 0.000 2.324 306 Q HA 0.398 4.738 4.340 -0.001 0.000 0.373 306 Q C -0.974 175.021 176.000 -0.008 0.000 0.909 306 Q CA -0.200 55.597 55.803 -0.009 0.000 1.135 306 Q CB -0.071 28.663 28.738 -0.006 0.000 1.313 306 Q HN 0.467 nan 8.270 nan 0.000 0.417 307 I N 1.115 121.678 120.570 -0.012 0.000 2.371 307 I HA 0.055 4.225 4.170 -0.001 0.000 0.290 307 I C 1.085 177.197 176.117 -0.008 0.000 1.028 307 I CA 0.145 61.438 61.300 -0.012 0.000 1.345 307 I CB 1.567 39.556 38.000 -0.018 0.000 1.407 307 I HN 0.244 nan 8.210 nan 0.000 0.501 308 S N 2.958 118.655 115.700 -0.006 0.000 2.604 308 S HA 0.194 4.664 4.470 -0.001 0.000 0.235 308 S C 0.338 174.934 174.600 -0.006 0.000 1.043 308 S CA -0.382 57.816 58.200 -0.004 0.000 0.997 308 S CB 0.135 63.335 63.200 0.000 0.000 0.956 308 S HN 0.641 nan 8.310 nan 0.000 0.535 309 N N 1.757 120.453 118.700 -0.008 0.000 2.504 309 N HA 0.373 5.113 4.740 -0.001 0.000 0.280 309 N C -0.142 175.362 175.510 -0.010 0.000 1.052 309 N CA -0.652 52.392 53.050 -0.008 0.000 0.887 309 N CB 1.561 40.044 38.487 -0.007 0.000 1.323 309 N HN 0.460 nan 8.380 nan 0.000 0.509 310 I N 0.287 120.850 120.570 -0.012 0.000 3.891 310 I HA 0.283 4.452 4.170 -0.001 0.000 0.331 310 I C 0.917 177.027 176.117 -0.011 0.000 1.406 310 I CA -0.274 61.019 61.300 -0.013 0.000 1.139 310 I CB 0.252 38.243 38.000 -0.015 0.000 1.056 310 I HN 0.097 nan 8.210 nan 0.000 0.399 311 S N 2.519 118.213 115.700 -0.010 0.000 2.402 311 S HA -0.060 4.410 4.470 -0.001 0.000 0.233 311 S C -0.476 174.119 174.600 -0.008 0.000 1.030 311 S CA 1.635 59.829 58.200 -0.009 0.000 1.003 311 S CB -1.150 62.045 63.200 -0.008 0.000 0.813 311 S HN 0.471 nan 8.310 nan 0.000 0.477 312 P HA 0.038 nan 4.420 nan 0.000 0.228 312 P C 0.744 178.040 177.300 -0.007 0.000 1.151 312 P CA 0.740 63.835 63.100 -0.007 0.000 0.770 312 P CB -0.100 31.596 31.700 -0.007 0.000 0.786 313 L N -1.994 119.224 121.223 -0.008 0.000 2.558 313 L HA 0.163 4.503 4.340 -0.001 0.000 0.225 313 L C 2.181 179.047 176.870 -0.007 0.000 1.128 313 L CA 0.350 55.185 54.840 -0.007 0.000 0.868 313 L CB -0.741 41.313 42.059 -0.008 0.000 1.006 313 L HN -0.056 nan 8.230 nan 0.000 0.454 314 A N 0.755 123.571 122.820 -0.007 0.000 2.019 314 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 314 A C 2.173 179.754 177.584 -0.006 0.000 1.164 314 A CA 1.638 53.671 52.037 -0.007 0.000 0.644 314 A CB -0.694 18.301 19.000 -0.008 0.000 0.805 314 A HN 0.422 nan 8.150 nan 0.000 0.449 315 G N -1.087 107.710 108.800 -0.005 0.000 3.042 315 G HA2 0.340 4.300 3.960 -0.001 0.000 0.212 315 G HA3 0.340 4.300 3.960 -0.001 0.000 0.212 315 G C 0.541 175.439 174.900 -0.004 0.000 1.166 315 G CA -0.250 44.847 45.100 -0.005 0.000 0.767 315 G HN 0.386 nan 8.290 nan 0.000 0.546 316 L N 2.734 123.955 121.223 -0.003 0.000 2.583 316 L HA 0.145 4.485 4.340 -0.001 0.000 0.239 316 L C 1.904 178.774 176.870 -0.000 0.000 1.347 316 L CA -0.141 54.697 54.840 -0.002 0.000 1.246 316 L CB -0.095 41.962 42.059 -0.002 0.000 1.496 316 L HN 0.194 nan 8.230 nan 0.000 0.413 317 T N -3.923 110.630 114.554 -0.001 0.000 3.160 317 T HA -0.006 4.343 4.350 -0.001 0.000 0.257 317 T C 1.596 176.297 174.700 0.002 0.000 1.147 317 T CA 0.657 62.757 62.100 0.000 0.000 1.064 317 T CB 0.263 69.130 68.868 -0.001 0.000 0.949 317 T HN 0.458 nan 8.240 nan 0.000 0.526 318 A N 0.890 123.710 122.820 0.001 0.000 2.238 318 A HA 0.458 4.777 4.320 -0.001 0.000 0.208 318 A C 0.980 178.566 177.584 0.004 0.000 1.177 318 A CA -0.301 51.737 52.037 0.002 0.000 0.804 318 A CB -0.503 18.497 19.000 -0.001 0.000 0.823 318 A HN 0.582 nan 8.150 nan 0.000 0.482 319 L N 1.030 122.257 121.223 0.007 0.000 2.559 319 L HA 0.028 4.367 4.340 -0.001 0.000 0.274 319 L C 1.784 178.666 176.870 0.021 0.000 1.205 319 L CA 0.469 55.317 54.840 0.013 0.000 0.907 319 L CB 0.760 42.828 42.059 0.015 0.000 1.153 319 L HN 0.518 nan 8.230 nan 0.000 0.490 320 T N -1.396 113.173 114.554 0.025 0.000 2.990 320 T HA 0.138 4.487 4.350 -0.001 0.000 0.249 320 T C 0.673 175.416 174.700 0.071 0.000 1.039 320 T CA -0.147 61.975 62.100 0.037 0.000 1.036 320 T CB 0.237 69.118 68.868 0.022 0.000 0.994 320 T HN 0.534 nan 8.240 nan 0.000 0.489 321 N N 0.969 119.710 118.700 0.068 0.000 2.410 321 N HA 0.569 5.309 4.740 -0.001 0.000 0.287 321 N C -2.266 173.311 175.510 0.111 0.000 1.044 321 N CA -0.543 52.583 53.050 0.126 0.000 0.881 321 N CB 2.627 41.139 38.487 0.041 0.000 1.405 321 N HN 0.110 nan 8.380 nan 0.000 0.490 322 L N 1.902 123.216 121.223 0.151 0.000 2.438 322 L HA 0.427 4.767 4.340 -0.001 0.000 0.270 322 L C -1.015 175.915 176.870 0.099 0.000 0.972 322 L CA -0.331 54.562 54.840 0.088 0.000 0.831 322 L CB 1.650 43.738 42.059 0.049 0.000 1.273 322 L HN 0.444 nan 8.230 nan 0.000 0.405 323 E N 5.996 126.233 120.200 0.061 0.000 2.155 323 E HA 0.426 4.776 4.350 -0.001 0.000 0.264 323 E C -0.362 176.212 176.600 -0.043 0.000 0.886 323 E CA -0.251 56.164 56.400 0.025 0.000 0.752 323 E CB 1.909 31.638 29.700 0.048 0.000 1.133 323 E HN 0.653 nan 8.360 nan 0.000 0.414 324 L N 2.844 124.011 121.223 -0.093 0.000 3.333 324 L HA 0.134 4.473 4.340 -0.001 0.000 0.299 324 L C 0.049 176.809 176.870 -0.183 0.000 1.256 324 L CA -0.341 54.437 54.840 -0.103 0.000 1.037 324 L CB 0.030 42.051 42.059 -0.063 0.000 1.423 324 L HN 0.469 nan 8.230 nan 0.000 0.605 325 N N 0.050 118.541 118.700 -0.347 0.000 2.374 325 N HA -0.009 4.730 4.740 -0.001 0.000 0.241 325 N C -0.295 175.039 175.510 -0.292 0.000 1.262 325 N CA -0.300 52.403 53.050 -0.580 0.000 0.880 325 N CB 0.100 37.691 38.487 -1.494 0.000 1.105 325 N HN 0.098 nan 8.380 nan 0.000 0.438 326 E N -1.547 118.564 120.200 -0.149 0.000 2.246 326 E HA -0.264 4.086 4.350 -0.001 0.000 0.211 326 E C -0.869 175.711 176.600 -0.033 0.000 1.278 326 E CA 0.269 56.652 56.400 -0.029 0.000 0.694 326 E CB -1.297 28.364 29.700 -0.066 0.000 1.166 326 E HN 0.620 nan 8.360 nan 0.000 0.370 327 N N -0.203 118.489 118.700 -0.014 0.000 3.512 327 N HA 0.275 5.014 4.740 -0.001 0.000 0.360 327 N C 0.027 175.546 175.510 0.016 0.000 1.593 327 N CA -0.545 52.499 53.050 -0.010 0.000 0.672 327 N CB 0.675 39.145 38.487 -0.028 0.000 2.105 327 N HN 0.008 nan 8.380 nan 0.000 0.645 328 Q N 0.915 120.721 119.800 0.010 0.000 2.141 328 Q HA 0.399 4.739 4.340 -0.001 0.000 0.248 328 Q C -0.477 175.532 176.000 0.014 0.000 0.834 328 Q CA -0.159 55.655 55.803 0.019 0.000 1.096 328 Q CB 0.520 29.267 28.738 0.014 0.000 1.189 328 Q HN 0.414 nan 8.270 nan 0.000 0.471 329 L N 0.837 122.066 121.223 0.009 0.000 2.380 329 L HA 0.108 4.448 4.340 -0.001 0.000 0.273 329 L C 1.476 178.351 176.870 0.007 0.000 1.138 329 L CA 0.353 55.194 54.840 0.002 0.000 0.832 329 L CB 0.825 42.879 42.059 -0.009 0.000 1.124 329 L HN 0.247 nan 8.230 nan 0.000 0.454 330 E N 1.066 121.267 120.200 0.002 0.000 2.629 330 E HA -0.032 4.317 4.350 -0.001 0.000 0.197 330 E C -0.087 176.507 176.600 -0.010 0.000 0.955 330 E CA -0.321 56.080 56.400 0.001 0.000 1.191 330 E CB 0.533 30.236 29.700 0.006 0.000 1.175 330 E HN 0.638 nan 8.360 nan 0.000 0.501 331 D N 1.518 121.911 120.400 -0.011 0.000 2.352 331 D HA 0.062 4.702 4.640 -0.001 0.000 0.245 331 D C 0.666 176.953 176.300 -0.023 0.000 1.224 331 D CA -0.194 53.796 54.000 -0.018 0.000 0.879 331 D CB 0.723 41.515 40.800 -0.013 0.000 1.057 331 D HN 0.403 nan 8.370 nan 0.000 0.491 332 I N 0.958 121.509 120.570 -0.032 0.000 3.914 332 I HA 0.119 4.288 4.170 -0.001 0.000 0.333 332 I C 1.493 177.588 176.117 -0.036 0.000 1.449 332 I CA -0.385 60.893 61.300 -0.036 0.000 1.135 332 I CB 0.032 38.003 38.000 -0.047 0.000 1.073 332 I HN 0.171 nan 8.210 nan 0.000 0.401 333 S N 1.732 117.413 115.700 -0.031 0.000 2.402 333 S HA -0.056 4.414 4.470 -0.001 0.000 0.233 333 S C -0.450 174.136 174.600 -0.024 0.000 1.030 333 S CA 1.106 59.288 58.200 -0.029 0.000 1.003 333 S CB -2.036 61.150 63.200 -0.024 0.000 0.813 333 S HN 0.388 nan 8.310 nan 0.000 0.477 334 P HA 0.046 nan 4.420 nan 0.000 0.223 334 P C 1.238 178.527 177.300 -0.017 0.000 1.144 334 P CA 0.754 63.844 63.100 -0.017 0.000 0.783 334 P CB -0.189 31.503 31.700 -0.015 0.000 0.771 335 I N -0.398 120.160 120.570 -0.021 0.000 2.614 335 I HA -0.209 3.960 4.170 -0.001 0.000 0.258 335 I C 2.071 178.177 176.117 -0.020 0.000 1.189 335 I CA 1.231 62.519 61.300 -0.020 0.000 1.462 335 I CB -0.424 37.560 38.000 -0.026 0.000 1.092 335 I HN 0.064 nan 8.210 nan 0.000 0.442 336 S N 1.209 116.895 115.700 -0.023 0.000 2.440 336 S HA -0.220 4.249 4.470 -0.001 0.000 0.240 336 S C 1.461 176.052 174.600 -0.015 0.000 1.014 336 S CA 1.492 59.679 58.200 -0.022 0.000 0.980 336 S CB -0.842 62.344 63.200 -0.023 0.000 0.775 336 S HN 0.664 nan 8.310 nan 0.000 0.499 337 N N 1.243 119.936 118.700 -0.012 0.000 2.373 337 N HA 0.062 4.801 4.740 -0.001 0.000 0.181 337 N C 0.359 175.866 175.510 -0.005 0.000 1.082 337 N CA 0.076 53.121 53.050 -0.009 0.000 0.885 337 N CB -0.227 38.255 38.487 -0.008 0.000 0.977 337 N HN 0.417 nan 8.380 nan 0.000 0.462 338 L N 2.214 123.434 121.223 -0.005 0.000 2.437 338 L HA 0.204 4.543 4.340 -0.001 0.000 0.243 338 L C 1.103 177.974 176.870 0.003 0.000 1.346 338 L CA -0.273 54.567 54.840 -0.000 0.000 1.233 338 L CB 0.061 42.121 42.059 0.002 0.000 1.436 338 L HN -0.009 nan 8.230 nan 0.000 0.416 339 K N 0.086 120.487 120.400 0.001 0.000 2.439 339 K HA -0.018 4.301 4.320 -0.001 0.000 0.197 339 K C 0.731 177.335 176.600 0.007 0.000 1.041 339 K CA 0.524 56.812 56.287 0.002 0.000 0.970 339 K CB 0.156 32.656 32.500 0.000 0.000 0.773 339 K HN 0.475 nan 8.250 nan 0.000 0.479 340 N N 0.959 119.664 118.700 0.009 0.000 2.336 340 N HA 0.083 4.822 4.740 -0.001 0.000 0.189 340 N C 0.243 175.766 175.510 0.022 0.000 1.113 340 N CA 0.067 53.125 53.050 0.013 0.000 0.858 340 N CB 0.278 38.772 38.487 0.010 0.000 0.970 340 N HN 0.143 nan 8.380 nan 0.000 0.471 341 L N 1.178 122.416 121.223 0.025 0.000 2.499 341 L HA 0.012 4.352 4.340 -0.001 0.000 0.273 341 L C 1.736 178.636 176.870 0.049 0.000 1.195 341 L CA 0.279 55.144 54.840 0.041 0.000 0.882 341 L CB 0.716 42.797 42.059 0.037 0.000 1.133 341 L HN 0.143 nan 8.230 nan 0.000 0.483 342 T N -0.423 114.177 114.554 0.075 0.000 2.969 342 T HA 0.069 4.419 4.350 -0.001 0.000 0.250 342 T C -0.127 174.660 174.700 0.146 0.000 1.021 342 T CA -0.029 62.123 62.100 0.086 0.000 1.003 342 T CB 0.129 69.041 68.868 0.073 0.000 1.040 342 T HN 0.370 nan 8.240 nan 0.000 0.492 343 Y N 0.735 121.051 120.300 0.027 0.000 2.386 343 Y HA 0.661 5.210 4.550 -0.002 0.000 0.334 343 Y C -1.985 173.968 175.900 0.089 0.000 1.002 343 Y CA -1.857 56.281 58.100 0.063 0.000 1.068 343 Y CB 1.819 40.301 38.460 0.037 0.000 1.203 343 Y HN 0.203 nan 8.280 nan 0.000 0.443 344 L N 6.596 127.703 121.223 -0.193 0.000 2.476 344 L HA 0.661 5.001 4.340 -0.001 0.000 0.269 344 L C -1.097 175.748 176.870 -0.043 0.000 0.965 344 L CA -0.175 54.632 54.840 -0.054 0.000 0.845 344 L CB 2.127 44.186 42.059 0.000 0.000 1.259 344 L HN 0.721 nan 8.230 nan 0.000 0.403 345 T N 2.431 116.983 114.554 -0.002 0.000 2.829 345 T HA 0.668 5.017 4.350 -0.001 0.000 0.280 345 T C 0.225 174.900 174.700 -0.042 0.000 0.999 345 T CA -0.548 61.582 62.100 0.050 0.000 0.983 345 T CB 1.325 70.188 68.868 -0.008 0.000 0.968 345 T HN 0.591 nan 8.240 nan 0.000 0.446 346 L N 1.191 122.416 121.223 0.002 0.000 3.386 346 L HA 0.288 4.627 4.340 -0.001 0.000 0.307 346 L C -0.225 176.615 176.870 -0.049 0.000 1.235 346 L CA -1.008 53.813 54.840 -0.032 0.000 1.056 346 L CB 0.082 42.171 42.059 0.051 0.000 1.453 346 L HN 0.792 nan 8.230 nan 0.000 0.615 347 Y N -1.830 118.393 120.300 -0.129 0.000 2.457 347 Y HA 0.360 4.912 4.550 0.003 0.000 0.341 347 Y C 0.242 176.099 175.900 -0.071 0.000 1.240 347 Y CA -1.213 56.677 58.100 -0.350 0.000 1.437 347 Y CB -0.214 37.554 38.460 -1.152 0.000 1.328 347 Y HN 0.057 nan 8.280 nan 0.000 0.588 348 F N 1.224 121.210 119.950 0.059 0.000 2.905 348 F HA -0.280 4.244 4.527 -0.004 0.000 0.311 348 F C -0.205 175.599 175.800 0.007 0.000 1.005 348 F CA 0.680 58.721 58.000 0.067 0.000 1.029 348 F CB -1.417 37.654 39.000 0.119 0.000 1.151 348 F HN 0.771 nan 8.300 nan 0.000 0.805 349 N N 0.078 118.841 118.700 0.104 0.000 3.379 349 N HA 0.333 5.072 4.740 -0.001 0.000 0.350 349 N C -0.037 175.517 175.510 0.073 0.000 1.553 349 N CA -0.683 52.412 53.050 0.075 0.000 0.712 349 N CB 1.023 39.530 38.487 0.033 0.000 1.880 349 N HN 0.334 nan 8.380 nan 0.000 0.648 350 N N 0.540 119.273 118.700 0.054 0.000 2.480 350 N HA 0.302 5.042 4.740 -0.001 0.000 0.281 350 N C -0.997 174.537 175.510 0.041 0.000 1.381 350 N CA -0.059 53.023 53.050 0.053 0.000 0.903 350 N CB 0.447 38.962 38.487 0.047 0.000 1.274 350 N HN 0.377 nan 8.380 nan 0.000 0.505 351 I N 0.907 121.501 120.570 0.041 0.000 2.416 351 I HA 0.053 4.222 4.170 -0.001 0.000 0.288 351 I C 1.128 177.260 176.117 0.025 0.000 1.051 351 I CA -0.048 61.263 61.300 0.018 0.000 1.375 351 I CB 1.692 39.691 38.000 -0.001 0.000 1.407 351 I HN 0.110 nan 8.210 nan 0.000 0.516 352 S N 2.651 118.356 115.700 0.007 0.000 2.452 352 S HA -0.025 4.444 4.470 -0.001 0.000 0.225 352 S C 0.491 175.075 174.600 -0.028 0.000 1.057 352 S CA 0.344 58.548 58.200 0.006 0.000 0.949 352 S CB 0.044 63.248 63.200 0.007 0.000 0.836 352 S HN 0.714 nan 8.310 nan 0.000 0.518 353 D N 1.061 121.434 120.400 -0.044 0.000 2.428 353 D HA 0.254 4.894 4.640 -0.001 0.000 0.221 353 D C 0.160 176.394 176.300 -0.109 0.000 1.123 353 D CA -0.294 53.667 54.000 -0.066 0.000 0.869 353 D CB 0.633 41.404 40.800 -0.048 0.000 1.032 353 D HN 0.005 nan 8.370 nan 0.000 0.506 354 I N 2.947 123.418 120.570 -0.164 0.000 3.578 354 I HA -0.072 4.098 4.170 -0.001 0.000 0.295 354 I C 1.994 177.992 176.117 -0.199 0.000 1.280 354 I CA 0.540 61.678 61.300 -0.269 0.000 1.347 354 I CB -0.191 37.504 38.000 -0.509 0.000 1.051 354 I HN 0.420 nan 8.210 nan 0.000 0.460 355 S N 1.044 116.665 115.700 -0.132 0.000 2.419 355 S HA -0.013 4.457 4.470 -0.001 0.000 0.235 355 S C -0.393 174.157 174.600 -0.083 0.000 1.019 355 S CA 0.762 58.903 58.200 -0.098 0.000 0.982 355 S CB -1.824 61.334 63.200 -0.070 0.000 0.789 355 S HN 0.296 nan 8.310 nan 0.000 0.490 356 P HA -0.039 nan 4.420 nan 0.000 0.221 356 P C 1.683 178.944 177.300 -0.065 0.000 1.145 356 P CA 1.162 64.223 63.100 -0.064 0.000 0.795 356 P CB -0.393 31.272 31.700 -0.059 0.000 0.775 357 V N -2.929 116.932 119.914 -0.089 0.000 3.306 357 V HA -0.077 4.042 4.120 -0.001 0.000 0.264 357 V C 2.125 178.185 176.094 -0.057 0.000 1.149 357 V CA 1.560 63.814 62.300 -0.075 0.000 1.143 357 V CB -1.563 30.197 31.823 -0.105 0.000 0.767 357 V HN 0.165 nan 8.190 nan 0.000 0.476 358 S N 2.128 117.793 115.700 -0.059 0.000 2.447 358 S HA -0.182 4.287 4.470 -0.001 0.000 0.233 358 S C 2.039 176.622 174.600 -0.029 0.000 1.006 358 S CA 1.608 59.782 58.200 -0.044 0.000 0.957 358 S CB -0.810 62.363 63.200 -0.045 0.000 0.773 358 S HN 1.028 nan 8.310 nan 0.000 0.507 359 S N 1.436 117.120 115.700 -0.027 0.000 2.496 359 S HA 0.226 4.695 4.470 -0.001 0.000 0.224 359 S C 0.802 175.394 174.600 -0.013 0.000 0.996 359 S CA -0.312 57.877 58.200 -0.018 0.000 0.927 359 S CB -0.859 62.331 63.200 -0.018 0.000 0.774 359 S HN 0.556 nan 8.310 nan 0.000 0.524 360 L N 3.766 124.981 121.223 -0.014 0.000 2.451 360 L HA 0.158 4.498 4.340 -0.001 0.000 0.272 360 L C 1.973 178.843 176.870 -0.000 0.000 1.258 360 L CA 0.081 54.918 54.840 -0.006 0.000 1.132 360 L CB -0.629 41.427 42.059 -0.006 0.000 1.361 360 L HN 0.441 nan 8.230 nan 0.000 0.438 361 T N -2.036 112.519 114.554 0.001 0.000 2.962 361 T HA -0.150 4.200 4.350 -0.001 0.000 0.270 361 T C 1.445 176.151 174.700 0.010 0.000 1.088 361 T CA 0.890 62.992 62.100 0.005 0.000 1.127 361 T CB -0.033 68.837 68.868 0.003 0.000 0.883 361 T HN 0.466 nan 8.240 nan 0.000 0.493 362 K N 0.060 120.468 120.400 0.013 0.000 2.404 362 K HA 0.304 4.624 4.320 -0.001 0.000 0.194 362 K C 0.047 176.662 176.600 0.026 0.000 1.023 362 K CA -0.441 55.857 56.287 0.019 0.000 1.094 362 K CB 0.006 32.517 32.500 0.019 0.000 0.841 362 K HN 0.246 nan 8.250 nan 0.000 0.523 363 L N 1.796 123.032 121.223 0.022 0.000 2.513 363 L HA -0.074 4.266 4.340 -0.001 0.000 0.272 363 L C 0.823 177.710 176.870 0.029 0.000 1.187 363 L CA 1.040 55.895 54.840 0.025 0.000 0.895 363 L CB 0.614 42.681 42.059 0.013 0.000 1.147 363 L HN 0.147 nan 8.230 nan 0.000 0.483 364 Q N 3.946 123.768 119.800 0.035 0.000 2.431 364 Q HA 0.289 4.629 4.340 -0.001 0.000 0.244 364 Q C -0.259 175.755 176.000 0.023 0.000 0.880 364 Q CA 0.278 56.105 55.803 0.040 0.000 0.954 364 Q CB 0.717 29.479 28.738 0.040 0.000 1.105 364 Q HN 0.538 nan 8.270 nan 0.000 0.558 365 R N 0.794 121.281 120.500 -0.023 0.000 2.538 365 R HA 0.512 4.851 4.340 -0.001 0.000 0.292 365 R C -1.783 174.382 176.300 -0.225 0.000 1.008 365 R CA -0.684 55.333 56.100 -0.137 0.000 0.896 365 R CB 2.094 32.311 30.300 -0.137 0.000 1.187 365 R HN -0.072 nan 8.270 nan 0.000 0.440 366 L N 3.696 124.728 121.223 -0.318 0.000 2.406 366 L HA 0.560 4.899 4.340 -0.001 0.000 0.272 366 L C -1.842 174.891 176.870 -0.230 0.000 0.980 366 L CA -0.441 54.317 54.840 -0.137 0.000 0.831 366 L CB 1.282 43.359 42.059 0.030 0.000 1.253 366 L HN 0.474 nan 8.230 nan 0.000 0.406 367 F N 6.656 126.690 119.950 0.140 0.000 2.460 367 F HA 0.488 5.014 4.527 -0.002 0.000 0.341 367 F C -0.016 175.919 175.800 0.224 0.000 1.130 367 F CA -0.491 57.623 58.000 0.191 0.000 0.962 367 F CB 1.231 40.372 39.000 0.235 0.000 1.171 367 F HN 0.474 nan 8.300 nan 0.000 0.436 368 F N 1.467 121.522 119.950 0.174 0.000 2.811 368 F HA 0.394 4.920 4.527 -0.002 0.000 0.342 368 F C -0.468 175.367 175.800 0.058 0.000 1.203 368 F CA -1.401 56.638 58.000 0.064 0.000 1.173 368 F CB -1.182 37.843 39.000 0.041 0.000 1.094 368 F HN 0.287 nan 8.300 nan 0.000 0.510 369 Y N -0.170 120.115 120.300 -0.025 0.000 2.652 369 Y HA 0.306 4.857 4.550 0.002 0.000 0.344 369 Y C 0.632 176.460 175.900 -0.119 0.000 1.254 369 Y CA -0.725 57.314 58.100 -0.103 0.000 1.480 369 Y CB -0.225 38.175 38.460 -0.100 0.000 1.345 369 Y HN 0.380 nan 8.280 nan 0.000 0.617 370 N N 1.365 120.061 118.700 -0.007 0.000 2.699 370 N HA -0.230 4.509 4.740 -0.001 0.000 0.257 370 N C -1.332 174.120 175.510 -0.098 0.000 1.077 370 N CA 0.917 53.822 53.050 -0.241 0.000 0.702 370 N CB -0.985 36.862 38.487 -1.067 0.000 0.886 370 N HN 0.762 nan 8.380 nan 0.000 0.549 371 N N -0.085 118.653 118.700 0.064 0.000 3.439 371 N HA 0.384 5.124 4.740 -0.001 0.000 0.343 371 N C -0.141 175.447 175.510 0.129 0.000 1.597 371 N CA -0.582 52.535 53.050 0.111 0.000 0.733 371 N CB 0.793 39.392 38.487 0.186 0.000 1.973 371 N HN 0.095 nan 8.380 nan 0.000 0.646 372 K N 0.597 121.071 120.400 0.123 0.000 2.537 372 K HA 0.329 4.649 4.320 -0.001 0.000 0.206 372 K C -0.577 176.086 176.600 0.106 0.000 1.041 372 K CA -0.095 56.258 56.287 0.110 0.000 1.090 372 K CB 0.912 33.460 32.500 0.080 0.000 0.833 372 K HN 0.122 nan 8.250 nan 0.000 0.493 373 V N 2.320 122.323 119.914 0.148 0.000 2.508 373 V HA -0.039 4.081 4.120 -0.001 0.000 0.281 373 V C 1.278 177.432 176.094 0.100 0.000 1.041 373 V CA 0.357 62.732 62.300 0.125 0.000 1.016 373 V CB 1.172 33.127 31.823 0.220 0.000 0.984 373 V HN 0.411 nan 8.190 nan 0.000 0.478 374 S N 1.818 117.531 115.700 0.021 0.000 2.514 374 S HA 0.134 4.603 4.470 -0.001 0.000 0.223 374 S C 0.383 174.947 174.600 -0.060 0.000 1.046 374 S CA -0.135 58.034 58.200 -0.053 0.000 0.914 374 S CB 0.312 63.440 63.200 -0.120 0.000 0.807 374 S HN 0.701 nan 8.310 nan 0.000 0.497 375 D N 1.994 122.373 120.400 -0.036 0.000 2.425 375 D HA 0.388 5.028 4.640 -0.001 0.000 0.240 375 D C 0.367 176.652 176.300 -0.025 0.000 1.080 375 D CA -0.623 53.352 54.000 -0.042 0.000 0.836 375 D CB 2.030 42.800 40.800 -0.049 0.000 1.125 375 D HN 0.124 nan 8.370 nan 0.000 0.525 376 V N 1.395 121.300 119.914 -0.014 0.000 3.214 376 V HA 0.203 4.323 4.120 -0.001 0.000 0.330 376 V C 1.540 177.622 176.094 -0.020 0.000 1.403 376 V CA -0.121 62.179 62.300 0.000 0.000 1.143 376 V CB -0.000 31.855 31.823 0.053 0.000 1.098 376 V HN 0.336 nan 8.190 nan 0.000 0.463 377 S N 2.661 118.343 115.700 -0.031 0.000 2.380 377 S HA -0.242 4.228 4.470 -0.001 0.000 0.229 377 S C 2.205 176.787 174.600 -0.030 0.000 1.043 377 S CA 2.296 60.478 58.200 -0.031 0.000 1.038 377 S CB -0.414 62.767 63.200 -0.032 0.000 0.872 377 S HN 1.019 nan 8.310 nan 0.000 0.456 378 S N 1.693 117.370 115.700 -0.039 0.000 2.447 378 S HA 0.085 4.555 4.470 -0.001 0.000 0.233 378 S C 1.609 176.187 174.600 -0.037 0.000 1.006 378 S CA 0.563 58.739 58.200 -0.041 0.000 0.957 378 S CB -0.631 62.536 63.200 -0.056 0.000 0.773 378 S HN 0.479 nan 8.310 nan 0.000 0.507 379 L N 0.974 122.179 121.223 -0.031 0.000 2.465 379 L HA 0.133 4.473 4.340 -0.001 0.000 0.224 379 L C 2.913 179.778 176.870 -0.009 0.000 1.145 379 L CA 0.629 55.460 54.840 -0.015 0.000 0.834 379 L CB -0.838 41.230 42.059 0.014 0.000 0.944 379 L HN 0.443 nan 8.230 nan 0.000 0.451 380 A N 0.464 123.276 122.820 -0.014 0.000 2.076 380 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 380 A C 1.980 179.559 177.584 -0.010 0.000 1.160 380 A CA 1.498 53.527 52.037 -0.013 0.000 0.653 380 A CB -0.412 18.578 19.000 -0.016 0.000 0.801 380 A HN 0.456 nan 8.150 nan 0.000 0.455 381 N N -0.237 118.456 118.700 -0.012 0.000 2.457 381 N HA 0.034 4.773 4.740 -0.001 0.000 0.180 381 N C 0.412 175.919 175.510 -0.005 0.000 1.050 381 N CA 0.472 53.517 53.050 -0.010 0.000 0.906 381 N CB -0.080 38.398 38.487 -0.014 0.000 0.968 381 N HN 0.458 nan 8.380 nan 0.000 0.445 382 L N 2.003 123.224 121.223 -0.003 0.000 2.727 382 L HA 0.082 4.422 4.340 -0.001 0.000 0.237 382 L C 1.943 178.819 176.870 0.009 0.000 1.370 382 L CA -0.115 54.727 54.840 0.003 0.000 1.248 382 L CB -0.402 41.661 42.059 0.006 0.000 1.556 382 L HN 0.070 nan 8.230 nan 0.000 0.420 383 T N -2.531 112.027 114.554 0.007 0.000 2.849 383 T HA -0.161 4.188 4.350 -0.001 0.000 0.270 383 T C 1.271 175.979 174.700 0.014 0.000 1.066 383 T CA 1.321 63.425 62.100 0.007 0.000 1.130 383 T CB -0.071 68.800 68.868 0.005 0.000 0.864 383 T HN 0.454 nan 8.240 nan 0.000 0.481 384 N N 0.935 119.646 118.700 0.018 0.000 2.214 384 N HA 0.234 4.974 4.740 -0.001 0.000 0.214 384 N C 0.269 175.801 175.510 0.038 0.000 1.132 384 N CA -0.236 52.830 53.050 0.026 0.000 0.856 384 N CB 0.341 38.843 38.487 0.024 0.000 1.020 384 N HN 0.474 nan 8.380 nan 0.000 0.509 385 I N 1.415 122.006 120.570 0.036 0.000 2.872 385 I HA -0.091 4.078 4.170 -0.001 0.000 0.291 385 I C 0.549 176.713 176.117 0.079 0.000 1.216 385 I CA 0.927 62.257 61.300 0.050 0.000 1.424 385 I CB 0.678 38.700 38.000 0.038 0.000 1.351 385 I HN 0.140 nan 8.210 nan 0.000 0.592 386 N N 4.608 123.390 118.700 0.137 0.000 2.606 386 N HA 0.087 4.826 4.740 -0.001 0.000 0.208 386 N C -1.101 174.593 175.510 0.308 0.000 1.046 386 N CA 0.058 53.248 53.050 0.235 0.000 0.891 386 N CB 0.182 38.866 38.487 0.328 0.000 1.344 386 N HN 0.462 nan 8.380 nan 0.000 0.437 387 W N 1.816 123.066 121.300 -0.083 0.000 2.532 387 W HA 0.603 5.262 4.660 -0.001 0.000 0.321 387 W C -0.978 175.391 176.519 -0.251 0.000 1.037 387 W CA -0.639 56.608 57.345 -0.164 0.000 1.220 387 W CB 0.748 30.083 29.460 -0.208 0.000 1.361 387 W HN -0.138 nan 8.180 nan 0.000 0.468 388 L N 3.327 124.519 121.223 -0.053 0.000 2.376 388 L HA 0.558 4.897 4.340 -0.001 0.000 0.275 388 L C -0.308 176.470 176.870 -0.153 0.000 0.987 388 L CA -0.275 54.508 54.840 -0.096 0.000 0.828 388 L CB 1.637 43.672 42.059 -0.039 0.000 1.249 388 L HN 0.300 nan 8.230 nan 0.000 0.409 389 S N 3.264 118.845 115.700 -0.198 0.000 2.733 389 S HA 0.753 5.223 4.470 -0.001 0.000 0.307 389 S C 0.017 174.481 174.600 -0.227 0.000 1.127 389 S CA 0.033 58.180 58.200 -0.088 0.000 1.097 389 S CB 1.415 64.732 63.200 0.195 0.000 1.003 389 S HN 0.709 nan 8.310 nan 0.000 0.477 390 A N 3.614 126.250 122.820 -0.307 0.000 2.568 390 A HA 0.613 4.933 4.320 -0.001 0.000 0.287 390 A C 0.784 178.259 177.584 -0.182 0.000 0.967 390 A CA -0.080 51.600 52.037 -0.595 0.000 1.004 390 A CB -0.256 18.280 19.000 -0.773 0.000 1.233 390 A HN 0.907 nan 8.150 nan 0.000 0.513 391 G N -1.178 107.611 108.800 -0.019 0.000 2.630 391 G HA2 0.353 4.313 3.960 -0.001 0.000 0.236 391 G HA3 0.353 4.313 3.960 -0.001 0.000 0.236 391 G C 0.303 175.317 174.900 0.190 0.000 1.248 391 G CA 0.411 45.562 45.100 0.085 0.000 0.844 391 G HN 0.765 nan 8.290 nan 0.000 0.588 392 H N -0.831 118.251 119.070 0.020 0.000 2.770 392 H HA -0.140 4.416 4.556 -0.001 0.000 0.309 392 H C 0.896 176.256 175.328 0.053 0.000 1.206 392 H CA 1.118 57.177 56.048 0.020 0.000 1.147 392 H CB -1.361 28.383 29.762 -0.030 0.000 1.422 392 H HN 0.511 nan 8.280 nan 0.000 0.420 393 N N -0.172 118.628 118.700 0.167 0.000 3.178 393 N HA 0.283 5.022 4.740 -0.001 0.000 0.352 393 N C 0.397 176.048 175.510 0.235 0.000 1.423 393 N CA -0.553 52.612 53.050 0.191 0.000 0.698 393 N CB 0.734 39.346 38.487 0.209 0.000 1.400 393 N HN 0.325 nan 8.380 nan 0.000 0.586 394 Q N 0.633 120.570 119.800 0.229 0.000 2.155 394 Q HA 0.423 4.762 4.340 -0.001 0.000 0.273 394 Q C -0.657 175.375 176.000 0.053 0.000 0.857 394 Q CA -0.122 55.836 55.803 0.258 0.000 1.116 394 Q CB 0.538 29.370 28.738 0.157 0.000 1.209 394 Q HN 0.414 nan 8.270 nan 0.000 0.460 395 I N 0.499 121.189 120.570 0.200 0.000 2.416 395 I HA 0.009 4.178 4.170 -0.001 0.000 0.288 395 I C 1.120 177.378 176.117 0.236 0.000 1.051 395 I CA 0.239 61.622 61.300 0.139 0.000 1.375 395 I CB 1.375 39.494 38.000 0.198 0.000 1.407 395 I HN 0.097 nan 8.210 nan 0.000 0.516 396 S N 3.198 118.857 115.700 -0.068 0.000 2.524 396 S HA 0.063 4.532 4.470 -0.001 0.000 0.222 396 S C 0.068 174.778 174.600 0.185 0.000 1.040 396 S CA 0.059 58.251 58.200 -0.014 0.000 0.915 396 S CB 0.202 63.119 63.200 -0.472 0.000 0.831 396 S HN 0.738 nan 8.310 nan 0.000 0.492 397 D N 0.924 121.352 120.400 0.047 0.000 2.575 397 D HA 0.274 4.913 4.640 -0.001 0.000 0.250 397 D C 0.272 176.513 176.300 -0.099 0.000 1.279 397 D CA -0.350 53.643 54.000 -0.012 0.000 0.925 397 D CB 1.046 41.825 40.800 -0.035 0.000 1.261 397 D HN 0.190 nan 8.370 nan 0.000 0.567 398 L N 2.646 123.771 121.223 -0.164 0.000 2.592 398 L HA 0.039 4.379 4.340 -0.001 0.000 0.227 398 L C 2.281 179.081 176.870 -0.117 0.000 1.127 398 L CA 0.534 55.239 54.840 -0.225 0.000 0.884 398 L CB -0.286 41.568 42.059 -0.343 0.000 1.065 398 L HN 0.470 nan 8.230 nan 0.000 0.457 399 T N -1.885 112.625 114.554 -0.072 0.000 2.759 399 T HA -0.103 4.246 4.350 -0.001 0.000 0.269 399 T C -0.470 174.204 174.700 -0.043 0.000 1.042 399 T CA 0.812 62.885 62.100 -0.046 0.000 1.140 399 T CB -1.548 67.303 68.868 -0.029 0.000 0.864 399 T HN 0.169 nan 8.240 nan 0.000 0.455 400 P HA 0.130 nan 4.420 nan 0.000 0.225 400 P C 1.167 178.447 177.300 -0.034 0.000 1.148 400 P CA 0.666 63.745 63.100 -0.035 0.000 0.779 400 P CB -0.294 31.387 31.700 -0.033 0.000 0.780 401 L N -2.020 119.175 121.223 -0.047 0.000 2.592 401 L HA 0.202 4.541 4.340 -0.001 0.000 0.227 401 L C 2.180 179.027 176.870 -0.038 0.000 1.127 401 L CA 0.237 55.051 54.840 -0.043 0.000 0.884 401 L CB -0.729 41.291 42.059 -0.066 0.000 1.065 401 L HN -0.072 nan 8.230 nan 0.000 0.457 402 A N 0.343 123.141 122.820 -0.036 0.000 1.972 402 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 402 A C 1.926 179.498 177.584 -0.021 0.000 1.169 402 A CA 1.560 53.580 52.037 -0.030 0.000 0.635 402 A CB -0.461 18.524 19.000 -0.025 0.000 0.810 402 A HN 0.500 nan 8.150 nan 0.000 0.446 403 N N -0.178 118.512 118.700 -0.017 0.000 2.235 403 N HA 0.171 4.911 4.740 -0.001 0.000 0.209 403 N C -0.375 175.131 175.510 -0.008 0.000 1.122 403 N CA -0.155 52.888 53.050 -0.011 0.000 0.845 403 N CB 0.076 38.557 38.487 -0.009 0.000 1.004 403 N HN 0.379 nan 8.380 nan 0.000 0.499 404 L N 1.997 123.213 121.223 -0.010 0.000 2.437 404 L HA 0.107 4.446 4.340 -0.001 0.000 0.243 404 L C 1.519 178.387 176.870 -0.004 0.000 1.346 404 L CA -0.079 54.758 54.840 -0.005 0.000 1.233 404 L CB -0.178 41.878 42.059 -0.006 0.000 1.436 404 L HN 0.125 nan 8.230 nan 0.000 0.416 405 T N -3.881 110.672 114.554 -0.001 0.000 3.148 405 T HA -0.003 4.346 4.350 -0.001 0.000 0.253 405 T C 1.562 176.266 174.700 0.007 0.000 1.134 405 T CA 0.191 62.291 62.100 -0.000 0.000 1.051 405 T CB -0.091 68.776 68.868 -0.000 0.000 0.959 405 T HN 0.401 nan 8.240 nan 0.000 0.525 406 R N 0.248 120.757 120.500 0.015 0.000 2.317 406 R HA 0.369 4.709 4.340 -0.001 0.000 0.208 406 R C 0.258 176.580 176.300 0.037 0.000 0.914 406 R CA -0.171 55.946 56.100 0.029 0.000 1.060 406 R CB -0.133 30.189 30.300 0.037 0.000 1.015 406 R HN 0.445 nan 8.270 nan 0.000 0.498 407 I N 1.569 122.150 120.570 0.018 0.000 2.683 407 I HA -0.116 4.053 4.170 -0.001 0.000 0.286 407 I C 1.534 177.639 176.117 -0.019 0.000 1.175 407 I CA 0.836 62.139 61.300 0.005 0.000 1.429 407 I CB 1.210 39.196 38.000 -0.023 0.000 1.371 407 I HN 0.188 nan 8.210 nan 0.000 0.569 408 T N 1.606 116.132 114.554 -0.045 0.000 2.958 408 T HA 0.225 4.575 4.350 -0.001 0.000 0.256 408 T C 0.444 174.976 174.700 -0.281 0.000 0.983 408 T CA -0.248 61.789 62.100 -0.105 0.000 0.924 408 T CB 0.589 69.442 68.868 -0.024 0.000 1.136 408 T HN 0.466 nan 8.240 nan 0.000 0.506 409 Q N 0.724 120.259 119.800 -0.442 0.000 2.305 409 Q HA 0.719 5.059 4.340 -0.001 0.000 0.271 409 Q C -1.950 173.834 176.000 -0.361 0.000 1.046 409 Q CA -0.633 54.804 55.803 -0.610 0.000 0.798 409 Q CB 2.982 30.879 28.738 -1.401 0.000 1.286 409 Q HN 0.355 nan 8.270 nan 0.000 0.435 410 L N 0.310 121.381 121.223 -0.253 0.000 2.482 410 L HA 0.856 5.196 4.340 -0.001 0.000 0.263 410 L C -1.140 175.656 176.870 -0.125 0.000 0.957 410 L CA -0.075 54.671 54.840 -0.156 0.000 0.836 410 L CB 2.447 44.436 42.059 -0.116 0.000 1.324 410 L HN 0.609 nan 8.230 nan 0.000 0.406 411 G N 4.430 113.171 108.800 -0.099 0.000 2.723 411 G HA2 0.588 4.547 3.960 -0.001 0.000 0.295 411 G HA3 0.588 4.547 3.960 -0.001 0.000 0.295 411 G C -0.787 174.082 174.900 -0.051 0.000 1.464 411 G CA -0.289 44.768 45.100 -0.072 0.000 1.012 411 G HN 0.614 nan 8.290 nan 0.000 0.522 412 L N 1.779 123.006 121.223 0.006 0.000 3.429 412 L HA 0.225 4.565 4.340 -0.001 0.000 0.311 412 L C 0.675 177.636 176.870 0.151 0.000 1.274 412 L CA -0.461 54.431 54.840 0.087 0.000 1.037 412 L CB 0.157 42.285 42.059 0.115 0.000 1.433 412 L HN 0.446 nan 8.230 nan 0.000 0.614 413 N N 1.119 119.843 118.700 0.040 0.000 2.479 413 N HA 0.029 4.768 4.740 -0.001 0.000 0.257 413 N C -0.517 174.897 175.510 -0.159 0.000 1.232 413 N CA -0.114 52.911 53.050 -0.040 0.000 0.920 413 N CB 0.300 38.752 38.487 -0.060 0.000 1.105 413 N HN 0.098 nan 8.380 nan 0.000 0.444 414 D N 0.752 120.982 120.400 -0.284 0.000 2.716 414 D HA -0.137 4.502 4.640 -0.001 0.000 0.239 414 D C -0.437 175.630 176.300 -0.388 0.000 1.125 414 D CA 0.835 54.554 54.000 -0.468 0.000 0.681 414 D CB -0.685 39.630 40.800 -0.809 0.000 1.070 414 D HN 0.492 nan 8.370 nan 0.000 0.432 415 Q N -0.302 119.406 119.800 -0.153 0.000 2.454 415 Q HA 0.574 4.914 4.340 -0.001 0.000 0.247 415 Q C 0.445 176.436 176.000 -0.015 0.000 1.028 415 Q CA 0.276 56.123 55.803 0.072 0.000 0.910 415 Q CB 1.121 30.111 28.738 0.419 0.000 1.276 415 Q HN 0.457 nan 8.270 nan 0.000 0.489 416 A N 1.168 124.075 122.820 0.145 0.000 2.540 416 A HA 0.681 5.001 4.320 -0.001 0.000 0.297 416 A C -1.925 175.812 177.584 0.256 0.000 1.056 416 A CA -0.806 51.238 52.037 0.012 0.000 0.700 416 A CB 0.978 19.946 19.000 -0.053 0.000 1.280 416 A HN 0.739 nan 8.150 nan 0.000 0.398 417 W N 0.126 121.424 121.300 -0.004 0.000 3.137 417 W HA 0.767 5.426 4.660 -0.002 0.000 0.324 417 W C -1.206 175.312 176.519 -0.003 0.000 1.253 417 W CA -0.710 56.643 57.345 0.014 0.000 1.183 417 W CB 0.871 30.354 29.460 0.038 0.000 1.424 417 W HN 0.551 nan 8.180 nan 0.000 0.566 418 T N 3.437 118.145 114.554 0.257 0.000 2.792 418 T HA 0.294 4.644 4.350 -0.001 0.000 0.280 418 T C -0.293 174.555 174.700 0.246 0.000 0.990 418 T CA -0.583 61.596 62.100 0.132 0.000 0.960 418 T CB 0.503 69.419 68.868 0.080 0.000 0.939 418 T HN 0.365 nan 8.240 nan 0.000 0.439 419 N N 1.736 120.566 118.700 0.216 0.000 2.444 419 N HA 0.415 5.155 4.740 -0.001 0.000 0.255 419 N C 0.235 175.825 175.510 0.132 0.000 1.255 419 N CA -0.369 52.815 53.050 0.223 0.000 0.933 419 N CB 0.464 39.076 38.487 0.209 0.000 1.143 419 N HN 0.796 nan 8.380 nan 0.000 0.453 420 A N 1.771 124.662 122.820 0.117 0.000 2.540 420 A HA 0.244 4.563 4.320 -0.001 0.000 0.239 420 A C -2.002 175.624 177.584 0.071 0.000 1.061 420 A CA -0.666 51.420 52.037 0.081 0.000 0.758 420 A CB -0.590 18.452 19.000 0.071 0.000 0.991 420 A HN 0.434 nan 8.150 nan 0.000 0.502 421 P HA 0.245 nan 4.420 nan 0.000 0.267 421 P C -0.153 177.176 177.300 0.048 0.000 1.200 421 P CA -0.022 63.105 63.100 0.044 0.000 0.772 421 P CB 0.686 32.407 31.700 0.035 0.000 0.855 422 V N 2.402 122.343 119.914 0.044 0.000 3.229 422 V HA 0.364 4.484 4.120 -0.001 0.000 0.310 422 V C -0.111 176.011 176.094 0.047 0.000 1.206 422 V CA -0.956 61.372 62.300 0.046 0.000 1.051 422 V CB 1.816 33.669 31.823 0.049 0.000 1.183 422 V HN 0.528 nan 8.190 nan 0.000 0.466 423 N N 1.080 119.808 118.700 0.048 0.000 2.498 423 N HA 0.201 4.941 4.740 -0.001 0.000 0.287 423 N C -0.922 174.634 175.510 0.076 0.000 1.097 423 N CA -0.344 52.748 53.050 0.070 0.000 0.973 423 N CB 1.197 39.722 38.487 0.063 0.000 1.153 423 N HN 0.680 nan 8.380 nan 0.000 0.472 424 Y N 1.508 121.828 120.300 0.033 0.000 2.620 424 Y HA 0.021 4.570 4.550 -0.001 0.000 0.330 424 Y C -0.324 175.608 175.900 0.053 0.000 1.186 424 Y CA 0.607 58.732 58.100 0.042 0.000 1.467 424 Y CB 0.436 38.948 38.460 0.086 0.000 1.262 424 Y HN 0.407 nan 8.280 nan 0.000 0.550 425 K N 3.962 123.842 120.400 -0.867 0.000 2.482 425 K HA 0.629 4.949 4.320 -0.001 0.000 0.257 425 K C 0.293 176.305 176.600 -0.981 0.000 0.969 425 K CA -0.443 55.423 56.287 -0.702 0.000 0.842 425 K CB 1.916 34.256 32.500 -0.268 0.000 1.359 425 K HN 0.604 nan 8.250 nan 0.000 0.441 426 A N 1.326 123.842 122.820 -0.507 0.000 2.019 426 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 426 A C 0.242 177.732 177.584 -0.157 0.000 1.164 426 A CA 1.230 53.111 52.037 -0.260 0.000 0.644 426 A CB -0.263 18.681 19.000 -0.093 0.000 0.805 426 A HN 0.636 nan 8.150 nan 0.000 0.449 427 N N -0.121 118.496 118.700 -0.137 0.000 2.504 427 N HA 0.471 5.210 4.740 -0.001 0.000 0.280 427 N C -1.550 173.944 175.510 -0.027 0.000 1.052 427 N CA -0.110 52.915 53.050 -0.041 0.000 0.887 427 N CB 2.275 40.749 38.487 -0.022 0.000 1.323 427 N HN 0.015 nan 8.380 nan 0.000 0.509 428 V N -0.232 119.716 119.914 0.057 0.000 2.876 428 V HA 0.679 4.798 4.120 -0.001 0.000 0.312 428 V C -0.050 176.188 176.094 0.240 0.000 1.085 428 V CA -0.772 61.588 62.300 0.100 0.000 0.945 428 V CB 1.970 33.826 31.823 0.055 0.000 1.017 428 V HN 0.580 nan 8.190 nan 0.000 0.428 429 S N 3.074 118.882 115.700 0.180 0.000 2.541 429 S HA 0.871 5.341 4.470 -0.001 0.000 0.280 429 S C -0.996 173.721 174.600 0.195 0.000 1.112 429 S CA -0.618 57.694 58.200 0.186 0.000 0.925 429 S CB 1.520 64.756 63.200 0.060 0.000 1.067 429 S HN 1.037 nan 8.310 nan 0.000 0.479 430 I N 0.853 121.564 120.570 0.234 0.000 2.828 430 I HA 0.755 4.924 4.170 -0.001 0.000 0.302 430 I C -2.921 173.282 176.117 0.142 0.000 1.101 430 I CA -3.061 58.365 61.300 0.209 0.000 1.031 430 I CB 2.610 40.797 38.000 0.312 0.000 1.231 430 I HN 0.350 nan 8.210 nan 0.000 0.427 431 P HA 0.091 nan 4.420 nan 0.000 0.276 431 P C -0.986 176.396 177.300 0.137 0.000 1.230 431 P CA -0.139 63.023 63.100 0.103 0.000 0.776 431 P CB 0.587 32.343 31.700 0.094 0.000 0.888 432 N N 1.946 120.708 118.700 0.103 0.000 2.475 432 N HA 0.042 4.781 4.740 -0.001 0.000 0.267 432 N C 0.794 176.391 175.510 0.145 0.000 1.169 432 N CA 0.291 53.405 53.050 0.107 0.000 0.947 432 N CB 0.085 38.619 38.487 0.077 0.000 1.061 432 N HN 0.349 nan 8.380 nan 0.000 0.466 433 T N -0.527 114.156 114.554 0.214 0.000 3.044 433 T HA 0.181 4.531 4.350 -0.001 0.000 0.260 433 T C 0.251 175.023 174.700 0.120 0.000 1.019 433 T CA -0.346 61.852 62.100 0.164 0.000 0.921 433 T CB -0.311 68.673 68.868 0.194 0.000 1.053 433 T HN 0.088 nan 8.240 nan 0.000 0.533 434 V N 2.503 122.467 119.914 0.082 0.000 2.455 434 V HA 0.373 4.492 4.120 -0.001 0.000 0.273 434 V C -0.021 176.069 176.094 -0.007 0.000 1.045 434 V CA -0.385 61.880 62.300 -0.059 0.000 0.976 434 V CB 0.401 31.949 31.823 -0.460 0.000 0.993 434 V HN 0.375 nan 8.190 nan 0.000 0.475 435 K N 3.772 124.218 120.400 0.077 0.000 2.345 435 K HA 0.418 4.738 4.320 -0.001 0.000 0.255 435 K C -0.283 176.393 176.600 0.127 0.000 0.934 435 K CA -0.835 55.499 56.287 0.078 0.000 0.801 435 K CB 1.762 34.286 32.500 0.041 0.000 1.137 435 K HN 0.541 nan 8.250 nan 0.000 0.424 436 N N 0.769 119.531 118.700 0.104 0.000 2.327 436 N HA 0.029 4.768 4.740 -0.001 0.000 0.257 436 N C 0.895 176.410 175.510 0.009 0.000 1.281 436 N CA -0.316 52.786 53.050 0.087 0.000 0.942 436 N CB 1.159 39.700 38.487 0.090 0.000 1.199 436 N HN 0.312 nan 8.380 nan 0.000 0.532 437 V N 0.431 120.333 119.914 -0.020 0.000 2.720 437 V HA -0.161 3.958 4.120 -0.001 0.000 0.256 437 V C 1.823 177.906 176.094 -0.018 0.000 1.082 437 V CA 2.494 64.770 62.300 -0.041 0.000 1.101 437 V CB -0.960 30.832 31.823 -0.051 0.000 0.693 437 V HN 0.922 nan 8.190 nan 0.000 0.479 438 T N -3.207 111.346 114.554 -0.001 0.000 3.113 438 T HA 0.248 4.598 4.350 -0.001 0.000 0.256 438 T C 1.596 176.299 174.700 0.005 0.000 1.131 438 T CA 0.920 63.022 62.100 0.003 0.000 1.074 438 T CB 0.364 69.239 68.868 0.011 0.000 0.944 438 T HN 1.099 nan 8.240 nan 0.000 0.516 439 G N 1.159 109.963 108.800 0.007 0.000 2.195 439 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.246 439 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.246 439 G C 0.338 175.249 174.900 0.020 0.000 0.984 439 G CA -0.116 44.989 45.100 0.010 0.000 0.633 439 G HN 1.185 nan 8.290 nan 0.000 0.525 440 A N 0.535 123.370 122.820 0.025 0.000 2.425 440 A HA 0.684 5.004 4.320 -0.001 0.000 0.249 440 A C 0.809 178.418 177.584 0.041 0.000 1.084 440 A CA -0.130 51.926 52.037 0.032 0.000 0.781 440 A CB 0.306 19.326 19.000 0.032 0.000 1.019 440 A HN 0.889 nan 8.150 nan 0.000 0.490 441 L N 1.912 123.162 121.223 0.045 0.000 2.456 441 L HA 0.142 4.482 4.340 -0.001 0.000 0.272 441 L C -0.098 176.796 176.870 0.040 0.000 1.189 441 L CA 0.254 55.124 54.840 0.049 0.000 0.846 441 L CB 0.344 42.448 42.059 0.076 0.000 1.111 441 L HN 0.539 nan 8.230 nan 0.000 0.475 442 I N 2.955 123.527 120.570 0.002 0.000 2.315 442 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 442 I C 0.599 176.656 176.117 -0.100 0.000 1.006 442 I CA -0.261 61.026 61.300 -0.022 0.000 1.265 442 I CB 1.488 39.466 38.000 -0.037 0.000 1.387 442 I HN 0.661 nan 8.210 nan 0.000 0.475 443 A N 8.651 131.402 122.820 -0.115 0.000 2.462 443 A HA 0.450 4.770 4.320 -0.001 0.000 0.243 443 A C -2.292 175.082 177.584 -0.350 0.000 1.076 443 A CA -1.076 50.730 52.037 -0.384 0.000 0.773 443 A CB -0.453 18.432 19.000 -0.193 0.000 1.010 443 A HN 0.427 nan 8.150 nan 0.000 0.493 444 P HA 0.150 nan 4.420 nan 0.000 0.266 444 P C 0.555 177.778 177.300 -0.129 0.000 1.193 444 P CA 0.766 63.723 63.100 -0.238 0.000 0.770 444 P CB 0.807 32.270 31.700 -0.395 0.000 0.836 445 A N 2.266 125.076 122.820 -0.017 0.000 1.901 445 A HA 0.173 4.492 4.320 -0.001 0.000 0.210 445 A C 0.866 178.435 177.584 -0.025 0.000 1.208 445 A CA 1.664 53.685 52.037 -0.027 0.000 0.644 445 A CB -0.625 18.358 19.000 -0.027 0.000 0.863 445 A HN 0.605 nan 8.150 nan 0.000 0.454 446 T N -2.692 111.863 114.554 0.000 0.000 2.896 446 T HA 0.726 5.075 4.350 -0.001 0.000 0.297 446 T C -0.937 173.801 174.700 0.063 0.000 1.108 446 T CA -0.590 61.517 62.100 0.013 0.000 1.004 446 T CB 1.525 70.397 68.868 0.005 0.000 1.159 446 T HN 0.177 nan 8.240 nan 0.000 0.499 447 I N 2.166 122.776 120.570 0.067 0.000 2.569 447 I HA 0.423 4.593 4.170 -0.001 0.000 0.290 447 I C 0.517 176.755 176.117 0.202 0.000 1.088 447 I CA -0.979 60.402 61.300 0.136 0.000 1.047 447 I CB 2.591 40.567 38.000 -0.041 0.000 1.237 447 I HN 0.982 nan 8.210 nan 0.000 0.421 448 S N 3.347 119.257 115.700 0.351 0.000 2.608 448 S HA 0.152 4.622 4.470 -0.001 0.000 0.261 448 S C 0.394 175.230 174.600 0.394 0.000 1.314 448 S CA -0.167 58.212 58.200 0.297 0.000 0.992 448 S CB 0.692 64.023 63.200 0.219 0.000 0.935 448 S HN 0.831 nan 8.310 nan 0.000 0.564 449 D N 0.400 120.940 120.400 0.233 0.000 2.811 449 D HA -0.191 4.449 4.640 -0.001 0.000 0.231 449 D C 0.945 177.408 176.300 0.272 0.000 1.157 449 D CA 1.178 55.315 54.000 0.229 0.000 0.716 449 D CB -1.743 39.176 40.800 0.199 0.000 1.077 449 D HN 1.496 nan 8.370 nan 0.000 0.428 450 G N -0.983 107.928 108.800 0.184 0.000 2.162 450 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.260 450 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.260 450 G C 0.711 175.646 174.900 0.058 0.000 0.976 450 G CA 0.667 45.832 45.100 0.108 0.000 0.655 450 G HN 0.817 nan 8.290 nan 0.000 0.533 451 G N -0.334 108.487 108.800 0.036 0.000 2.651 451 G HA2 0.681 4.640 3.960 -0.001 0.000 0.260 451 G HA3 0.681 4.640 3.960 -0.001 0.000 0.260 451 G C 0.368 175.081 174.900 -0.312 0.000 1.216 451 G CA 1.000 45.882 45.100 -0.363 0.000 0.913 451 G HN 1.784 nan 8.290 nan 0.000 0.535 452 S N -1.461 114.003 115.700 -0.394 0.000 2.588 452 S HA 0.584 5.053 4.470 -0.001 0.000 0.275 452 S C -1.501 172.980 174.600 -0.200 0.000 1.130 452 S CA -0.863 57.204 58.200 -0.222 0.000 0.855 452 S CB 1.877 64.995 63.200 -0.136 0.000 1.116 452 S HN 0.722 nan 8.310 nan 0.000 0.472 453 Y N 0.972 121.119 120.300 -0.254 0.000 2.387 453 Y HA 0.672 5.222 4.550 -0.001 0.000 0.336 453 Y C -0.567 175.232 175.900 -0.170 0.000 1.067 453 Y CA -0.420 57.536 58.100 -0.240 0.000 1.114 453 Y CB 2.062 40.400 38.460 -0.204 0.000 1.208 453 Y HN 0.861 nan 8.280 nan 0.000 0.458 454 T N 5.521 119.706 114.554 -0.615 0.000 2.965 454 T HA 0.131 4.480 4.350 -0.001 0.000 0.306 454 T C -1.054 173.110 174.700 -0.893 0.000 0.991 454 T CA -0.813 60.923 62.100 -0.607 0.000 1.001 454 T CB 0.776 69.460 68.868 -0.306 0.000 0.984 454 T HN 0.638 nan 8.240 nan 0.000 0.446 455 E N 4.785 124.410 120.200 -0.960 0.000 3.197 455 E HA -0.092 4.257 4.350 -0.001 0.000 0.251 455 E C -1.904 174.456 176.600 -0.399 0.000 0.912 455 E CA -0.101 55.877 56.400 -0.703 0.000 0.960 455 E CB 0.461 30.015 29.700 -0.244 0.000 0.897 455 E HN 0.236 nan 8.360 nan 0.000 0.550 456 P HA 0.345 nan 4.420 nan 0.000 0.328 456 P C -1.380 175.885 177.300 -0.059 0.000 1.741 456 P CA -0.395 62.617 63.100 -0.146 0.000 1.414 456 P CB 0.666 32.360 31.700 -0.010 0.000 1.869 457 D N 0.187 120.473 120.400 -0.189 0.000 2.342 457 D HA 0.498 5.137 4.640 -0.001 0.000 0.243 457 D C -0.269 175.970 176.300 -0.102 0.000 1.019 457 D CA -0.369 53.579 54.000 -0.087 0.000 0.864 457 D CB 1.651 42.398 40.800 -0.088 0.000 1.315 457 D HN -0.054 nan 8.370 nan 0.000 0.468 458 I N 1.149 121.642 120.570 -0.129 0.000 2.359 458 I HA 0.354 4.523 4.170 -0.001 0.000 0.294 458 I C 0.059 175.887 176.117 -0.482 0.000 0.987 458 I CA -0.096 60.978 61.300 -0.377 0.000 1.225 458 I CB 1.828 39.457 38.000 -0.617 0.000 1.366 458 I HN 0.137 nan 8.210 nan 0.000 0.466 459 T N 4.973 119.176 114.554 -0.584 0.000 2.861 459 T HA 0.478 4.828 4.350 -0.001 0.000 0.287 459 T C -1.164 173.290 174.700 -0.411 0.000 1.003 459 T CA -0.519 61.394 62.100 -0.312 0.000 0.977 459 T CB 1.023 69.790 68.868 -0.169 0.000 0.996 459 T HN 0.339 nan 8.240 nan 0.000 0.448 460 W N 2.395 123.689 121.300 -0.010 0.000 2.761 460 W HA 0.430 5.089 4.660 -0.001 0.000 0.340 460 W C 0.055 176.559 176.519 -0.026 0.000 1.072 460 W CA -0.828 56.513 57.345 -0.007 0.000 1.215 460 W CB 1.504 30.968 29.460 0.007 0.000 1.420 460 W HN 0.520 nan 8.180 nan 0.000 0.519 461 N N 3.184 122.005 118.700 0.202 0.000 2.444 461 N HA 0.387 5.127 4.740 -0.001 0.000 0.262 461 N C -1.466 174.119 175.510 0.125 0.000 0.974 461 N CA -0.187 52.928 53.050 0.108 0.000 0.933 461 N CB 0.854 39.377 38.487 0.059 0.000 1.137 461 N HN 0.430 nan 8.380 nan 0.000 0.498 462 L N 6.301 127.575 121.223 0.086 0.000 2.387 462 L HA 0.386 4.725 4.340 -0.001 0.000 0.259 462 L C -1.500 175.441 176.870 0.118 0.000 1.050 462 L CA -1.535 53.377 54.840 0.120 0.000 0.922 462 L CB 1.681 43.833 42.059 0.156 0.000 1.280 462 L HN 0.435 nan 8.230 nan 0.000 0.449 463 P HA -0.003 nan 4.420 nan 0.000 0.225 463 P C 0.356 177.640 177.300 -0.026 0.000 1.156 463 P CA 0.546 63.658 63.100 0.020 0.000 0.787 463 P CB 0.454 32.161 31.700 0.011 0.000 0.802 464 S N -0.688 115.007 115.700 -0.008 0.000 2.651 464 S HA 0.373 4.842 4.470 -0.001 0.000 0.291 464 S C -0.386 174.135 174.600 -0.131 0.000 1.141 464 S CA -0.459 57.688 58.200 -0.088 0.000 1.027 464 S CB 0.144 63.332 63.200 -0.020 0.000 1.043 464 S HN -0.057 nan 8.310 nan 0.000 0.530 465 Y N 1.630 121.809 120.300 -0.202 0.000 2.610 465 Y HA 0.230 4.779 4.550 -0.001 0.000 0.332 465 Y C 1.160 176.880 175.900 -0.299 0.000 1.201 465 Y CA 0.480 58.257 58.100 -0.538 0.000 1.465 465 Y CB 0.133 38.333 38.460 -0.433 0.000 1.283 465 Y HN 0.457 nan 8.280 nan 0.000 0.563 466 T N 2.921 117.386 114.554 -0.149 0.000 2.993 466 T HA 0.163 4.512 4.350 -0.001 0.000 0.312 466 T C 0.220 174.937 174.700 0.029 0.000 1.115 466 T CA -1.065 61.043 62.100 0.014 0.000 1.027 466 T CB 0.985 69.921 68.868 0.113 0.000 1.116 466 T HN 0.649 nan 8.240 nan 0.000 0.464 467 N N 1.161 119.858 118.700 -0.006 0.000 2.236 467 N HA 0.155 4.894 4.740 -0.001 0.000 0.196 467 N C 0.057 175.550 175.510 -0.030 0.000 1.114 467 N CA -0.270 52.775 53.050 -0.008 0.000 0.859 467 N CB 0.892 39.365 38.487 -0.023 0.000 0.982 467 N HN 0.754 nan 8.380 nan 0.000 0.493 468 E N 0.052 120.215 120.200 -0.062 0.000 2.381 468 E HA 0.395 4.744 4.350 -0.001 0.000 0.286 468 E C -1.682 174.801 176.600 -0.195 0.000 0.960 468 E CA -0.835 55.499 56.400 -0.110 0.000 0.793 468 E CB 1.990 31.644 29.700 -0.076 0.000 1.225 468 E HN -0.032 nan 8.360 nan 0.000 0.420 469 V N 0.126 119.851 119.914 -0.317 0.000 3.158 469 V HA 0.960 5.079 4.120 -0.001 0.000 0.311 469 V C -0.544 175.412 176.094 -0.230 0.000 1.181 469 V CA -0.181 61.850 62.300 -0.449 0.000 1.054 469 V CB 1.520 32.552 31.823 -1.319 0.000 1.085 469 V HN 0.833 nan 8.190 nan 0.000 0.446 470 S N 0.172 115.870 115.700 -0.004 0.000 2.615 470 S HA 0.891 5.361 4.470 -0.001 0.000 0.269 470 S C -1.265 173.563 174.600 0.380 0.000 1.161 470 S CA -0.419 57.846 58.200 0.108 0.000 0.817 470 S CB 1.755 64.932 63.200 -0.038 0.000 1.131 470 S HN 2.302 nan 8.310 nan 0.000 0.467 471 Y N -1.523 118.842 120.300 0.109 0.000 2.655 471 Y HA 0.874 5.424 4.550 0.000 0.000 0.336 471 Y C -0.558 175.316 175.900 -0.044 0.000 1.154 471 Y CA -0.583 57.556 58.100 0.066 0.000 1.055 471 Y CB 1.004 39.517 38.460 0.088 0.000 1.295 471 Y HN 1.064 nan 8.280 nan 0.000 0.465 472 T N -0.250 114.359 114.554 0.090 0.000 2.907 472 T HA 0.833 5.182 4.350 -0.001 0.000 0.290 472 T C -1.156 173.600 174.700 0.094 0.000 1.066 472 T CA -0.682 61.358 62.100 -0.099 0.000 1.012 472 T CB 1.977 70.738 68.868 -0.178 0.000 1.184 472 T HN 1.090 nan 8.240 nan 0.000 0.522 473 F N -1.578 118.285 119.950 -0.145 0.000 2.626 473 F HA 0.867 5.393 4.527 -0.001 0.000 0.311 473 F C -0.615 175.076 175.800 -0.180 0.000 1.088 473 F CA -1.116 56.800 58.000 -0.141 0.000 0.949 473 F CB 1.876 40.786 39.000 -0.150 0.000 1.322 473 F HN 0.752 nan 8.300 nan 0.000 0.461 474 S N 1.796 117.497 115.700 0.001 0.000 2.614 474 S HA 0.425 4.895 4.470 -0.001 0.000 0.259 474 S C -1.961 172.665 174.600 0.045 0.000 1.118 474 S CA -0.272 57.887 58.200 -0.069 0.000 1.065 474 S CB 0.962 64.098 63.200 -0.107 0.000 1.121 474 S HN 0.928 nan 8.310 nan 0.000 0.458 475 Q N 4.944 124.810 119.800 0.110 0.000 2.337 475 Q HA 0.560 4.900 4.340 -0.001 0.000 0.264 475 Q C -2.937 173.152 176.000 0.148 0.000 1.007 475 Q CA -1.747 54.142 55.803 0.142 0.000 0.727 475 Q CB 1.768 30.631 28.738 0.209 0.000 1.256 475 Q HN 0.340 nan 8.270 nan 0.000 0.467 476 P HA 0.098 nan 4.420 nan 0.000 0.266 476 P C -1.307 176.042 177.300 0.082 0.000 1.195 476 P CA -0.156 62.987 63.100 0.072 0.000 0.768 476 P CB 0.969 32.691 31.700 0.037 0.000 0.838 477 V N 2.763 122.717 119.914 0.066 0.000 3.048 477 V HA 0.508 4.627 4.120 -0.001 0.000 0.303 477 V C -1.174 174.926 176.094 0.009 0.000 1.214 477 V CA -0.210 62.117 62.300 0.045 0.000 0.984 477 V CB 2.694 34.553 31.823 0.061 0.000 1.054 477 V HN 0.458 nan 8.190 nan 0.000 0.430 478 T N 6.918 121.470 114.554 -0.004 0.000 2.841 478 T HA 0.710 5.059 4.350 -0.001 0.000 0.283 478 T C -0.811 173.874 174.700 -0.025 0.000 1.000 478 T CA -0.197 61.891 62.100 -0.020 0.000 0.977 478 T CB 1.228 70.085 68.868 -0.017 0.000 0.979 478 T HN 0.547 nan 8.240 nan 0.000 0.446 479 I N 2.501 123.049 120.570 -0.036 0.000 2.478 479 I HA 0.521 4.690 4.170 -0.001 0.000 0.287 479 I C 1.043 177.141 176.117 -0.032 0.000 1.042 479 I CA -0.477 60.802 61.300 -0.035 0.000 1.067 479 I CB 1.464 39.437 38.000 -0.044 0.000 1.233 479 I HN 0.901 nan 8.210 nan 0.000 0.431 480 G N 6.198 114.985 108.800 -0.022 0.000 2.601 480 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.306 480 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.306 480 G C 0.615 175.502 174.900 -0.020 0.000 1.172 480 G CA 0.591 45.681 45.100 -0.016 0.000 0.966 480 G HN 0.639 nan 8.290 nan 0.000 0.542 481 K N 1.145 121.528 120.400 -0.027 0.000 2.402 481 K HA 0.408 4.728 4.320 -0.001 0.000 0.204 481 K C 0.993 177.557 176.600 -0.060 0.000 1.056 481 K CA 0.438 56.704 56.287 -0.034 0.000 1.069 481 K CB 1.276 33.761 32.500 -0.025 0.000 0.888 481 K HN 0.645 nan 8.250 nan 0.000 0.546 482 G N 0.948 109.704 108.800 -0.074 0.000 2.338 482 G HA2 0.344 4.304 3.960 -0.001 0.000 0.298 482 G HA3 0.344 4.304 3.960 -0.001 0.000 0.298 482 G C -0.567 174.281 174.900 -0.085 0.000 1.140 482 G CA -0.070 44.965 45.100 -0.110 0.000 0.860 482 G HN -0.093 nan 8.290 nan 0.000 0.470 483 T N 0.505 115.005 114.554 -0.090 0.000 2.893 483 T HA 0.754 5.103 4.350 -0.001 0.000 0.291 483 T C -0.200 174.464 174.700 -0.059 0.000 1.028 483 T CA -0.481 61.583 62.100 -0.060 0.000 0.995 483 T CB 2.168 71.008 68.868 -0.046 0.000 1.051 483 T HN 0.660 nan 8.240 nan 0.000 0.470 484 T N 0.370 114.907 114.554 -0.028 0.000 2.731 484 T HA 0.561 4.910 4.350 -0.001 0.000 0.300 484 T C -1.356 173.361 174.700 0.027 0.000 1.283 484 T CA -0.430 61.661 62.100 -0.014 0.000 1.005 484 T CB 1.670 70.528 68.868 -0.017 0.000 1.420 484 T HN 0.528 nan 8.240 nan 0.000 0.503 485 T N 2.542 117.119 114.554 0.038 0.000 2.758 485 T HA 0.501 4.851 4.350 -0.001 0.000 0.285 485 T C -1.102 173.692 174.700 0.156 0.000 0.981 485 T CA -0.266 61.877 62.100 0.072 0.000 0.965 485 T CB 0.189 69.067 68.868 0.016 0.000 0.927 485 T HN 0.396 nan 8.240 nan 0.000 0.448 486 F N 5.346 125.326 119.950 0.050 0.000 2.404 486 F HA 0.526 5.052 4.527 -0.002 0.000 0.359 486 F C 0.363 176.258 175.800 0.159 0.000 1.134 486 F CA -1.146 56.932 58.000 0.129 0.000 1.160 486 F CB -0.403 38.707 39.000 0.183 0.000 1.186 486 F HN 0.530 nan 8.300 nan 0.000 0.526 487 S N 3.779 119.360 115.700 -0.198 0.000 2.627 487 S HA 1.036 5.506 4.470 -0.001 0.000 0.283 487 S C -0.464 173.425 174.600 -1.184 0.000 1.127 487 S CA -0.338 57.405 58.200 -0.761 0.000 0.863 487 S CB 1.733 64.672 63.200 -0.434 0.000 1.121 487 S HN 1.186 nan 8.310 nan 0.000 0.479 488 G N -0.273 107.460 108.800 -1.780 0.000 2.441 488 G HA2 0.553 4.512 3.960 -0.001 0.000 0.294 488 G HA3 0.553 4.512 3.960 -0.001 0.000 0.294 488 G C -1.735 172.606 174.900 -0.933 0.000 1.393 488 G CA -0.596 43.795 45.100 -1.181 0.000 0.796 488 G HN 0.871 nan 8.290 nan 0.000 0.494 489 T N 0.187 114.363 114.554 -0.630 0.000 2.879 489 T HA 0.578 4.928 4.350 -0.001 0.000 0.290 489 T C -0.676 173.587 174.700 -0.727 0.000 0.993 489 T CA -0.361 61.406 62.100 -0.554 0.000 0.975 489 T CB 1.701 70.351 68.868 -0.364 0.000 0.981 489 T HN 0.619 nan 8.240 nan 0.000 0.439 490 V N 3.573 122.946 119.914 -0.901 0.000 2.417 490 V HA 0.532 4.652 4.120 -0.001 0.000 0.291 490 V C 0.229 175.970 176.094 -0.589 0.000 1.024 490 V CA -0.613 61.034 62.300 -1.090 0.000 0.861 490 V CB 1.722 32.684 31.823 -1.434 0.000 0.985 490 V HN 0.945 nan 8.190 nan 0.000 0.436 491 T N 4.419 118.738 114.554 -0.393 0.000 2.797 491 T HA 0.458 4.808 4.350 -0.001 0.000 0.279 491 T C -0.511 174.134 174.700 -0.092 0.000 0.991 491 T CA -0.347 61.642 62.100 -0.186 0.000 0.979 491 T CB 1.447 70.234 68.868 -0.136 0.000 0.943 491 T HN 0.656 nan 8.240 nan 0.000 0.444 492 Q N 4.191 123.947 119.800 -0.073 0.000 2.413 492 Q HA 0.403 4.743 4.340 -0.001 0.000 0.258 492 Q C -2.795 173.159 176.000 -0.076 0.000 1.037 492 Q CA -2.269 53.509 55.803 -0.041 0.000 0.764 492 Q CB 1.138 29.851 28.738 -0.042 0.000 1.217 492 Q HN 0.230 nan 8.270 nan 0.000 0.490 493 P HA 0.140 nan 4.420 nan 0.000 0.271 493 P C -0.959 176.333 177.300 -0.014 0.000 1.216 493 P CA 0.031 63.116 63.100 -0.024 0.000 0.776 493 P CB 0.671 32.373 31.700 0.003 0.000 0.881 494 L N 2.961 124.182 121.223 -0.003 0.000 2.333 494 L HA 0.380 4.720 4.340 -0.001 0.000 0.280 494 L C 1.317 178.227 176.870 0.066 0.000 1.004 494 L CA -0.687 54.179 54.840 0.043 0.000 0.820 494 L CB 2.081 44.189 42.059 0.082 0.000 1.247 494 L HN 0.382 nan 8.230 nan 0.000 0.416 495 K N 2.756 123.201 120.400 0.076 0.000 2.057 495 K HA 0.469 4.788 4.320 -0.001 0.000 0.209 495 K C 0.261 176.920 176.600 0.099 0.000 1.028 495 K CA 1.044 57.369 56.287 0.063 0.000 0.950 495 K CB 0.570 33.099 32.500 0.049 0.000 0.784 495 K HN 0.755 nan 8.250 nan 0.000 0.448 496 A N 0.000 122.905 122.820 0.142 0.000 2.254 496 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 496 A CA 0.000 nan 52.037 nan 0.000 0.836 496 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486