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 1aa1_1_E DATA FIRST_RESID 21 DATA SEQUENCE KLTYYTPEYE TLDTDILAAF RVSPQPGVPP EEAGAAVAAE SSTGTWTTVW DATA SEQUENCE TDGLTNLDRY KGRCYHIEPV AGEENQYICY VAYPLDLFEE GSVTNMFTSI DATA SEQUENCE VGNVFGFKAL RALRLEDLRI PVAYVKTFQG PPHGIQVERD KLNKYGRPLL DATA SEQUENCE GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP FMRWRDRFLF DATA SEQUENCE CAEALYKAQA ETGEIKGHYL NATAGTCEDM MKRAVFAREL GVPIVMHDYL DATA SEQUENCE TGGFTANTTL SHYCRDNGLL LHIHRAMHAV IDRQKNHGMH FRVLAKALRL DATA SEQUENCE SGGDHIHSGT VVXXXXXERD ITLGFVDLLR DDYTEKDRSR GIYFTQSWVS DATA SEQUENCE TPGVLPVASG GIHVWHMPAL TEIFGDDSVL QFGGGTLGHP WGNAPGAVAN DATA SEQUENCE RVALEACVQA RNEGRDLARE GNTIIREATK WSPELAAACE VWK 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 21 K HA 0.000 nan 4.320 nan 0.000 0.191 21 K C 0.000 176.694 176.600 0.156 0.000 0.988 21 K CA 0.000 56.376 56.287 0.149 0.000 0.838 21 K CB 0.000 32.554 32.500 0.090 0.000 1.064 22 L N 2.630 123.912 121.223 0.099 0.000 2.012 22 L HA -0.022 4.318 4.340 -0.001 0.000 0.210 22 L C 1.856 178.713 176.870 -0.022 0.000 1.073 22 L CA 2.722 57.588 54.840 0.044 0.000 0.748 22 L CB -1.339 40.733 42.059 0.021 0.000 0.891 22 L HN 0.595 nan 8.230 nan 0.000 0.431 23 T N -2.462 112.041 114.554 -0.084 0.000 2.942 23 T HA -0.114 4.236 4.350 -0.001 0.000 0.265 23 T C 1.528 175.923 174.700 -0.509 0.000 1.062 23 T CA 1.060 62.946 62.100 -0.356 0.000 1.139 23 T CB -0.250 68.260 68.868 -0.596 0.000 0.883 23 T HN 0.254 nan 8.240 nan 0.000 0.468 24 Y N -1.094 119.205 120.300 -0.001 0.000 2.481 24 Y HA 0.361 4.910 4.550 -0.001 0.000 0.258 24 Y C 0.454 176.386 175.900 0.055 0.000 1.103 24 Y CA -1.183 56.913 58.100 -0.007 0.000 1.287 24 Y CB 0.295 38.737 38.460 -0.029 0.000 1.108 24 Y HN 0.146 nan 8.280 nan 0.000 0.529 25 Y N 1.587 121.929 120.300 0.071 0.000 2.434 25 Y HA 0.422 4.972 4.550 -0.001 0.000 0.341 25 Y C -0.436 175.485 175.900 0.036 0.000 0.965 25 Y CA -1.209 56.917 58.100 0.044 0.000 1.205 25 Y CB 0.731 39.205 38.460 0.023 0.000 1.121 25 Y HN -0.146 nan 8.280 nan 0.000 0.507 26 T N 9.323 123.702 114.554 -0.292 0.000 3.401 26 T HA 0.179 4.529 4.350 -0.001 0.000 0.341 26 T C -2.005 172.579 174.700 -0.193 0.000 1.674 26 T CA -1.013 60.950 62.100 -0.228 0.000 1.600 26 T CB 0.702 69.518 68.868 -0.086 0.000 0.974 26 T HN 0.493 nan 8.240 nan 0.000 0.672 27 P HA -0.115 nan 4.420 nan 0.000 0.228 27 P C 1.137 178.440 177.300 0.004 0.000 1.151 27 P CA 0.972 63.955 63.100 -0.196 0.000 0.770 27 P CB 0.429 31.949 31.700 -0.301 0.000 0.786 28 E N -0.946 119.251 120.200 -0.005 0.000 2.472 28 E HA -0.084 4.266 4.350 -0.001 0.000 0.196 28 E C 0.270 176.899 176.600 0.047 0.000 1.033 28 E CA -0.616 55.796 56.400 0.019 0.000 0.886 28 E CB -0.989 28.707 29.700 -0.006 0.000 0.944 28 E HN 0.215 nan 8.360 nan 0.000 0.492 29 Y N 2.735 123.016 120.300 -0.033 0.000 2.620 29 Y HA 0.058 4.607 4.550 -0.001 0.000 0.330 29 Y C -0.113 175.727 175.900 -0.100 0.000 1.186 29 Y CA 0.105 58.171 58.100 -0.057 0.000 1.467 29 Y CB 0.509 38.946 38.460 -0.037 0.000 1.262 29 Y HN -0.110 nan 8.280 nan 0.000 0.550 30 E N 4.262 123.991 120.200 -0.784 0.000 2.134 30 E HA 0.171 4.521 4.350 -0.001 0.000 0.278 30 E C -0.343 175.598 176.600 -1.099 0.000 0.959 30 E CA -0.675 55.319 56.400 -0.676 0.000 0.783 30 E CB 0.799 30.259 29.700 -0.399 0.000 1.095 30 E HN 0.747 nan 8.360 nan 0.000 0.399 31 T N 1.019 115.098 114.554 -0.792 0.000 2.932 31 T HA 0.204 4.554 4.350 -0.001 0.000 0.312 31 T C 0.428 174.925 174.700 -0.339 0.000 1.071 31 T CA -0.422 61.346 62.100 -0.552 0.000 1.128 31 T CB 0.447 69.082 68.868 -0.388 0.000 0.984 31 T HN 0.251 nan 8.240 nan 0.000 0.549 32 L N 1.938 123.054 121.223 -0.178 0.000 2.360 32 L HA 0.334 4.674 4.340 -0.001 0.000 0.271 32 L C 1.131 177.956 176.870 -0.075 0.000 1.057 32 L CA -0.999 53.776 54.840 -0.108 0.000 0.803 32 L CB 0.789 42.824 42.059 -0.040 0.000 1.207 32 L HN 0.676 nan 8.230 nan 0.000 0.445 33 D N 0.073 120.435 120.400 -0.063 0.000 2.350 33 D HA -0.100 4.540 4.640 -0.001 0.000 0.216 33 D C 1.670 177.948 176.300 -0.036 0.000 0.968 33 D CA 1.278 55.249 54.000 -0.048 0.000 0.894 33 D CB 0.192 40.970 40.800 -0.036 0.000 0.909 33 D HN 0.725 nan 8.370 nan 0.000 0.520 34 T N -2.732 111.809 114.554 -0.023 0.000 3.040 34 T HA 0.047 4.396 4.350 -0.001 0.000 0.250 34 T C 0.553 175.250 174.700 -0.005 0.000 1.058 34 T CA -0.501 61.596 62.100 -0.005 0.000 0.988 34 T CB 0.538 69.413 68.868 0.012 0.000 0.993 34 T HN -0.231 nan 8.240 nan 0.000 0.519 35 D N 1.510 121.908 120.400 -0.004 0.000 2.341 35 D HA 0.409 5.049 4.640 -0.001 0.000 0.245 35 D C -0.362 175.917 176.300 -0.036 0.000 1.106 35 D CA -0.493 53.523 54.000 0.026 0.000 0.905 35 D CB 0.849 41.680 40.800 0.052 0.000 1.202 35 D HN 0.167 nan 8.370 nan 0.000 0.426 36 I N 1.854 122.422 120.570 -0.003 0.000 2.331 36 I HA 0.190 4.360 4.170 -0.001 0.000 0.292 36 I C -0.157 175.993 176.117 0.055 0.000 0.998 36 I CA -0.243 60.990 61.300 -0.113 0.000 1.267 36 I CB 0.807 38.605 38.000 -0.337 0.000 1.386 36 I HN 0.054 nan 8.210 nan 0.000 0.476 37 L N 6.157 127.294 121.223 -0.143 0.000 2.329 37 L HA 0.864 5.204 4.340 -0.001 0.000 0.279 37 L C -0.084 176.681 176.870 -0.176 0.000 1.014 37 L CA -0.752 54.012 54.840 -0.126 0.000 0.814 37 L CB 1.578 43.380 42.059 -0.427 0.000 1.257 37 L HN 0.651 nan 8.230 nan 0.000 0.424 38 A N 2.319 125.255 122.820 0.193 0.000 2.355 38 A HA 0.863 5.183 4.320 -0.001 0.000 0.317 38 A C -0.545 177.149 177.584 0.182 0.000 1.094 38 A CA -0.539 51.570 52.037 0.121 0.000 0.764 38 A CB 1.658 20.704 19.000 0.077 0.000 1.230 38 A HN 0.751 nan 8.150 nan 0.000 0.448 39 A N 2.115 124.934 122.820 -0.002 0.000 2.277 39 A HA 0.702 5.022 4.320 -0.001 0.000 0.318 39 A C -1.027 176.277 177.584 -0.467 0.000 1.339 39 A CA -0.275 51.539 52.037 -0.372 0.000 0.875 39 A CB -0.276 18.326 19.000 -0.664 0.000 1.158 39 A HN 0.604 nan 8.150 nan 0.000 0.514 40 F N 1.121 120.918 119.950 -0.256 0.000 2.422 40 F HA 0.502 5.028 4.527 -0.001 0.000 0.333 40 F C 1.015 176.698 175.800 -0.196 0.000 1.095 40 F CA -0.319 57.567 58.000 -0.191 0.000 1.038 40 F CB 1.617 40.528 39.000 -0.148 0.000 1.156 40 F HN 0.573 nan 8.300 nan 0.000 0.483 41 R N 3.310 123.844 120.500 0.056 0.000 2.230 41 R HA 0.524 4.864 4.340 -0.001 0.000 0.337 41 R C -1.722 174.603 176.300 0.042 0.000 1.063 41 R CA -0.301 55.816 56.100 0.028 0.000 0.935 41 R CB 0.421 30.732 30.300 0.019 0.000 1.121 41 R HN 0.539 nan 8.270 nan 0.000 0.486 42 V N 3.374 123.320 119.914 0.052 0.000 2.407 42 V HA 0.245 4.365 4.120 -0.001 0.000 0.278 42 V C -0.046 176.098 176.094 0.084 0.000 1.037 42 V CA -0.434 61.886 62.300 0.033 0.000 0.900 42 V CB 1.704 33.533 31.823 0.011 0.000 0.983 42 V HN 0.703 nan 8.190 nan 0.000 0.459 43 S N 6.942 122.675 115.700 0.055 0.000 2.516 43 S HA 0.436 4.906 4.470 -0.001 0.000 0.268 43 S C -2.554 172.081 174.600 0.058 0.000 1.251 43 S CA -0.999 57.240 58.200 0.066 0.000 1.153 43 S CB 1.118 64.349 63.200 0.052 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.160 nan 4.420 nan 0.000 0.274 44 P C -0.211 177.106 177.300 0.029 0.000 1.237 44 P CA -0.573 62.554 63.100 0.045 0.000 0.793 44 P CB 0.479 32.207 31.700 0.047 0.000 0.977 45 Q N 1.850 121.651 119.800 0.002 0.000 2.421 45 Q HA 0.169 4.509 4.340 -0.001 0.000 0.255 45 Q C -1.916 174.084 176.000 -0.001 0.000 1.013 45 Q CA -1.454 54.342 55.803 -0.011 0.000 0.895 45 Q CB -0.617 28.098 28.738 -0.039 0.000 1.271 45 Q HN 0.376 nan 8.270 nan 0.000 0.460 46 P HA -0.014 nan 4.420 nan 0.000 0.267 46 P C 0.445 177.744 177.300 -0.003 0.000 1.205 46 P CA 0.814 63.917 63.100 0.004 0.000 0.765 46 P CB 0.497 32.197 31.700 0.000 0.000 0.828 47 G N 1.664 110.465 108.800 0.002 0.000 2.213 47 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.226 47 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.226 47 G C -0.182 174.711 174.900 -0.012 0.000 0.992 47 G CA -0.194 44.903 45.100 -0.005 0.000 0.632 47 G HN 0.525 nan 8.290 nan 0.000 0.511 48 V N 4.106 124.012 119.914 -0.012 0.000 2.333 48 V HA 0.473 4.593 4.120 -0.001 0.000 0.274 48 V C -1.177 174.890 176.094 -0.046 0.000 1.028 48 V CA -1.393 60.892 62.300 -0.025 0.000 0.851 48 V CB 1.332 33.143 31.823 -0.019 0.000 1.000 48 V HN 0.281 nan 8.190 nan 0.000 0.456 49 P HA 0.198 nan 4.420 nan 0.000 0.270 49 P C -2.287 174.866 177.300 -0.245 0.000 1.223 49 P CA -1.373 61.647 63.100 -0.133 0.000 0.785 49 P CB 0.555 32.185 31.700 -0.118 0.000 0.923 50 P HA -0.220 nan 4.420 nan 0.000 0.214 50 P C 1.347 178.333 177.300 -0.522 0.000 1.169 50 P CA 1.765 64.442 63.100 -0.705 0.000 0.908 50 P CB -0.099 30.985 31.700 -1.026 0.000 0.791 51 E N -0.629 119.243 120.200 -0.547 0.000 2.097 51 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 51 E C 2.030 178.374 176.600 -0.428 0.000 1.000 51 E CA 1.407 57.367 56.400 -0.732 0.000 0.804 51 E CB -0.784 28.476 29.700 -0.734 0.000 0.740 51 E HN 0.287 nan 8.360 nan 0.000 0.454 52 E N 0.409 120.458 120.200 -0.253 0.000 2.107 52 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 52 E C 1.846 178.381 176.600 -0.109 0.000 0.982 52 E CA 1.236 57.560 56.400 -0.125 0.000 0.809 52 E CB -0.374 29.285 29.700 -0.069 0.000 0.756 52 E HN 0.218 nan 8.360 nan 0.000 0.459 53 A N 0.246 122.981 122.820 -0.141 0.000 1.877 53 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 53 A C 2.493 179.987 177.584 -0.149 0.000 1.186 53 A CA 1.871 53.843 52.037 -0.107 0.000 0.620 53 A CB -1.385 17.546 19.000 -0.114 0.000 0.822 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 G N -0.633 108.053 108.800 -0.190 0.000 2.422 54 G HA2 0.009 3.968 3.960 -0.001 0.000 0.218 54 G HA3 0.009 3.968 3.960 -0.001 0.000 0.218 54 G C 1.714 176.553 174.900 -0.101 0.000 1.146 54 G CA 1.465 46.475 45.100 -0.149 0.000 0.769 54 G HN 0.817 nan 8.290 nan 0.000 0.547 55 A N 1.075 123.849 122.820 -0.077 0.000 1.930 55 A HA 0.319 4.639 4.320 -0.001 0.000 0.217 55 A C 2.795 180.283 177.584 -0.159 0.000 1.175 55 A CA 2.094 54.133 52.037 0.004 0.000 0.627 55 A CB -0.678 18.366 19.000 0.074 0.000 0.815 55 A HN 0.728 nan 8.150 nan 0.000 0.443 56 A N -0.464 122.231 122.820 -0.209 0.000 1.902 56 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 56 A C 2.214 179.485 177.584 -0.522 0.000 1.181 56 A CA 1.753 53.554 52.037 -0.393 0.000 0.623 56 A CB -0.938 17.923 19.000 -0.232 0.000 0.818 56 A HN 0.382 nan 8.150 nan 0.000 0.443 57 V N -0.069 119.607 119.914 -0.396 0.000 2.343 57 V HA -0.266 3.853 4.120 -0.001 0.000 0.247 57 V C 3.050 178.925 176.094 -0.365 0.000 1.051 57 V CA 2.013 64.033 62.300 -0.467 0.000 1.036 57 V CB -1.290 30.201 31.823 -0.553 0.000 0.654 57 V HN 0.621 nan 8.190 nan 0.000 0.451 58 A N -0.067 122.600 122.820 -0.255 0.000 1.877 58 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 58 A C 2.429 179.855 177.584 -0.263 0.000 1.186 58 A CA 2.144 54.087 52.037 -0.156 0.000 0.620 58 A CB -0.833 18.150 19.000 -0.028 0.000 0.822 58 A HN 0.560 nan 8.150 nan 0.000 0.443 59 A N -0.490 121.951 122.820 -0.632 0.000 1.858 59 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 59 A C 1.889 179.167 177.584 -0.510 0.000 1.190 59 A CA 1.637 53.059 52.037 -1.025 0.000 0.617 59 A CB -0.500 17.664 19.000 -1.393 0.000 0.827 59 A HN 0.421 nan 8.150 nan 0.000 0.443 60 E N 0.570 120.470 120.200 -0.500 0.000 2.265 60 E HA -0.110 4.240 4.350 -0.001 0.000 0.196 60 E C 1.872 178.367 176.600 -0.174 0.000 0.996 60 E CA 1.331 57.503 56.400 -0.380 0.000 0.832 60 E CB -0.305 29.043 29.700 -0.588 0.000 0.756 60 E HN 0.737 nan 8.360 nan 0.000 0.491 61 S N -1.088 114.553 115.700 -0.099 0.000 2.557 61 S HA 0.165 4.635 4.470 -0.001 0.000 0.223 61 S C 1.161 175.860 174.600 0.165 0.000 0.969 61 S CA 0.241 58.490 58.200 0.081 0.000 0.927 61 S CB 0.289 63.625 63.200 0.226 0.000 0.806 61 S HN 0.162 nan 8.310 nan 0.000 0.489 62 S N 1.466 117.213 115.700 0.078 0.000 3.896 62 S HA 0.337 4.806 4.470 -0.001 0.000 0.190 62 S C 1.209 175.838 174.600 0.049 0.000 1.171 62 S CA 0.385 58.654 58.200 0.115 0.000 1.368 62 S CB -0.213 63.110 63.200 0.204 0.000 1.688 62 S HN 0.405 nan 8.310 nan 0.000 0.791 63 T N 0.251 114.861 114.554 0.093 0.000 3.875 63 T HA 0.486 4.836 4.350 -0.001 0.000 0.189 63 T C 1.362 176.068 174.700 0.011 0.000 0.742 63 T CA 0.536 62.686 62.100 0.084 0.000 2.566 63 T CB -1.725 67.252 68.868 0.180 0.000 1.859 63 T HN 2.255 nan 8.240 nan 0.000 0.318 64 G N 0.713 109.544 108.800 0.051 0.000 3.295 64 G HA2 0.126 4.086 3.960 -0.001 0.000 0.627 64 G HA3 0.126 4.086 3.960 -0.001 0.000 0.627 64 G C -0.214 174.676 174.900 -0.017 0.000 0.847 64 G CA 0.004 45.066 45.100 -0.063 0.000 0.907 64 G HN 1.093 nan 8.290 nan 0.000 0.502 65 T N 3.418 117.976 114.554 0.005 0.000 2.916 65 T HA 0.537 4.886 4.350 -0.001 0.000 0.298 65 T C 1.361 176.060 174.700 -0.001 0.000 1.031 65 T CA 0.174 62.272 62.100 -0.003 0.000 0.993 65 T CB 0.484 69.296 68.868 -0.093 0.000 1.045 65 T HN 1.403 nan 8.240 nan 0.000 0.454 66 W N 3.597 124.906 121.300 0.016 0.000 2.421 66 W HA 0.128 4.788 4.660 -0.001 0.000 0.270 66 W C 0.119 176.656 176.519 0.031 0.000 1.233 66 W CA 0.623 57.986 57.345 0.031 0.000 1.226 66 W CB -0.882 28.601 29.460 0.038 0.000 1.121 66 W HN 0.610 nan 8.180 nan 0.000 0.579 67 T N 0.936 114.949 114.554 -0.902 0.000 2.903 67 T HA 0.322 4.672 4.350 -0.001 0.000 0.299 67 T C -0.485 173.932 174.700 -0.471 0.000 1.093 67 T CA -0.386 61.215 62.100 -0.831 0.000 1.002 67 T CB 1.887 69.832 68.868 -1.538 0.000 1.127 67 T HN -0.206 nan 8.240 nan 0.000 0.488 68 T N 2.882 117.271 114.554 -0.276 0.000 2.870 68 T HA 0.461 4.811 4.350 -0.001 0.000 0.300 68 T C 0.077 174.690 174.700 -0.145 0.000 0.989 68 T CA -0.373 61.632 62.100 -0.158 0.000 1.139 68 T CB 0.205 69.025 68.868 -0.079 0.000 0.920 68 T HN 0.632 nan 8.240 nan 0.000 0.537 69 V N 2.784 122.624 119.914 -0.123 0.000 2.604 69 V HA 0.460 4.579 4.120 -0.001 0.000 0.305 69 V C 1.113 177.156 176.094 -0.086 0.000 1.043 69 V CA -1.245 60.983 62.300 -0.121 0.000 0.888 69 V CB 1.439 33.131 31.823 -0.218 0.000 0.995 69 V HN 1.052 nan 8.190 nan 0.000 0.429 70 W N 2.784 124.052 121.300 -0.054 0.000 2.392 70 W HA -0.135 4.525 4.660 -0.001 0.000 0.279 70 W C 1.388 177.888 176.519 -0.031 0.000 1.225 70 W CA 1.658 58.980 57.345 -0.038 0.000 1.233 70 W CB -1.708 27.733 29.460 -0.032 0.000 1.122 70 W HN 0.770 nan 8.180 nan 0.000 0.561 71 T N -0.885 113.137 114.554 -0.887 0.000 2.881 71 T HA -0.223 4.126 4.350 -0.001 0.000 0.270 71 T C 1.162 175.661 174.700 -0.335 0.000 1.068 71 T CA 1.617 63.212 62.100 -0.841 0.000 1.131 71 T CB -0.656 67.658 68.868 -0.923 0.000 0.871 71 T HN -0.071 nan 8.240 nan 0.000 0.479 72 D N 1.935 122.200 120.400 -0.224 0.000 2.221 72 D HA -0.017 4.622 4.640 -0.001 0.000 0.204 72 D C 2.228 178.497 176.300 -0.052 0.000 0.982 72 D CA 1.203 55.134 54.000 -0.116 0.000 0.857 72 D CB -0.805 39.947 40.800 -0.079 0.000 0.934 72 D HN 0.620 nan 8.370 nan 0.000 0.475 73 G N -0.167 108.624 108.800 -0.015 0.000 2.848 73 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.208 73 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.208 73 G C 1.387 176.308 174.900 0.035 0.000 1.152 73 G CA -0.068 45.052 45.100 0.032 0.000 0.789 73 G HN 0.278 nan 8.290 nan 0.000 0.531 74 L N 0.400 121.625 121.223 0.002 0.000 2.567 74 L HA 0.220 4.559 4.340 -0.001 0.000 0.225 74 L C 0.696 177.565 176.870 -0.002 0.000 1.119 74 L CA 0.267 55.112 54.840 0.009 0.000 0.871 74 L CB 0.001 42.051 42.059 -0.016 0.000 1.036 74 L HN 0.045 nan 8.230 nan 0.000 0.459 75 T N -1.749 112.802 114.554 -0.005 0.000 2.804 75 T HA 0.238 4.588 4.350 -0.001 0.000 0.290 75 T C -0.755 173.976 174.700 0.051 0.000 1.099 75 T CA -0.601 61.515 62.100 0.025 0.000 1.011 75 T CB 1.953 70.819 68.868 -0.004 0.000 1.291 75 T HN -0.157 nan 8.240 nan 0.000 0.523 76 N N 1.170 119.933 118.700 0.105 0.000 2.707 76 N HA 0.234 4.974 4.740 -0.001 0.000 0.235 76 N C 0.303 175.891 175.510 0.131 0.000 1.028 76 N CA -0.574 52.523 53.050 0.078 0.000 0.906 76 N CB 0.117 38.633 38.487 0.048 0.000 1.131 76 N HN 0.349 nan 8.380 nan 0.000 0.509 77 L N 1.752 123.030 121.223 0.092 0.000 2.353 77 L HA -0.028 4.312 4.340 -0.001 0.000 0.220 77 L C 1.249 178.154 176.870 0.057 0.000 1.133 77 L CA 1.208 56.117 54.840 0.115 0.000 0.798 77 L CB -0.299 41.789 42.059 0.048 0.000 0.922 77 L HN 0.528 nan 8.230 nan 0.000 0.445 78 D N -1.092 119.299 120.400 -0.016 0.000 2.310 78 D HA -0.152 4.488 4.640 -0.001 0.000 0.212 78 D C 2.206 178.442 176.300 -0.107 0.000 0.965 78 D CA 0.482 54.435 54.000 -0.079 0.000 0.879 78 D CB 0.015 40.765 40.800 -0.084 0.000 0.921 78 D HN 0.304 nan 8.370 nan 0.000 0.510 79 R N -0.441 119.974 120.500 -0.141 0.000 2.236 79 R HA -0.075 4.264 4.340 -0.001 0.000 0.208 79 R C 0.769 176.736 176.300 -0.555 0.000 1.036 79 R CA 0.717 56.602 56.100 -0.359 0.000 1.001 79 R CB 0.167 30.173 30.300 -0.490 0.000 0.896 79 R HN 0.204 nan 8.270 nan 0.000 0.464 80 Y N 0.143 120.428 120.300 -0.026 0.000 2.453 80 Y HA 0.167 4.716 4.550 -0.001 0.000 0.247 80 Y C 0.058 175.961 175.900 0.004 0.000 1.124 80 Y CA -0.538 57.552 58.100 -0.018 0.000 1.243 80 Y CB 0.460 38.904 38.460 -0.027 0.000 1.213 80 Y HN -0.087 nan 8.280 nan 0.000 0.523 81 K N 0.749 121.204 120.400 0.091 0.000 2.202 81 K HA 0.513 4.832 4.320 -0.001 0.000 0.264 81 K C 0.527 177.159 176.600 0.054 0.000 1.010 81 K CA -0.316 56.037 56.287 0.110 0.000 0.940 81 K CB 0.857 33.369 32.500 0.021 0.000 0.983 81 K HN 0.085 nan 8.250 nan 0.000 0.475 82 G N 1.716 110.585 108.800 0.114 0.000 2.420 82 G HA2 0.364 4.324 3.960 -0.001 0.000 0.284 82 G HA3 0.364 4.324 3.960 -0.001 0.000 0.284 82 G C -0.975 173.893 174.900 -0.054 0.000 1.177 82 G CA -0.960 44.087 45.100 -0.088 0.000 0.841 82 G HN 0.584 nan 8.290 nan 0.000 0.527 83 R N 0.279 120.668 120.500 -0.186 0.000 2.502 83 R HA 0.307 4.646 4.340 -0.001 0.000 0.300 83 R C -1.024 175.301 176.300 0.042 0.000 0.984 83 R CA -0.590 55.444 56.100 -0.109 0.000 0.882 83 R CB 1.885 31.958 30.300 -0.377 0.000 1.180 83 R HN 0.541 nan 8.270 nan 0.000 0.444 84 C N 5.797 125.165 119.300 0.114 0.000 2.322 84 C HA 0.223 4.683 4.460 -0.001 0.000 0.343 84 C C 1.124 176.249 174.990 0.225 0.000 1.190 84 C CA -0.531 58.589 59.018 0.171 0.000 1.704 84 C CB -1.175 26.690 27.740 0.209 0.000 2.293 84 C HN 0.981 nan 8.230 nan 0.000 0.523 85 Y N 2.831 123.257 120.300 0.210 0.000 2.478 85 Y HA 0.442 4.992 4.550 -0.001 0.000 0.261 85 Y C 0.845 176.922 175.900 0.294 0.000 1.127 85 Y CA -0.007 58.212 58.100 0.198 0.000 1.288 85 Y CB -0.417 38.216 38.460 0.290 0.000 1.084 85 Y HN 0.771 nan 8.280 nan 0.000 0.530 86 H N 0.085 119.098 119.070 -0.095 0.000 3.079 86 H HA 0.581 5.137 4.556 -0.001 0.000 0.356 86 H C -1.981 173.477 175.328 0.217 0.000 1.221 86 H CA -0.973 55.102 56.048 0.046 0.000 1.185 86 H CB 2.112 31.776 29.762 -0.163 0.000 1.882 86 H HN 0.118 nan 8.280 nan 0.000 0.543 87 I N 3.389 123.733 120.570 -0.377 0.000 2.656 87 I HA 0.229 4.399 4.170 -0.001 0.000 0.292 87 I C -1.071 174.895 176.117 -0.250 0.000 1.144 87 I CA -0.599 60.608 61.300 -0.155 0.000 1.038 87 I CB 2.535 40.458 38.000 -0.127 0.000 1.244 87 I HN 0.573 nan 8.210 nan 0.000 0.420 88 E N 5.632 125.867 120.200 0.059 0.000 2.321 88 E HA 0.559 4.908 4.350 -0.001 0.000 0.278 88 E C -3.000 173.736 176.600 0.226 0.000 0.902 88 E CA -2.130 54.350 56.400 0.135 0.000 0.758 88 E CB 2.345 32.174 29.700 0.216 0.000 1.213 88 E HN 0.102 nan 8.360 nan 0.000 0.426 89 P HA -0.001 nan 4.420 nan 0.000 0.269 89 P C -0.690 176.584 177.300 -0.043 0.000 1.215 89 P CA -0.358 62.742 63.100 0.000 0.000 0.780 89 P CB 0.657 32.352 31.700 -0.008 0.000 0.898 90 V N 2.421 122.244 119.914 -0.153 0.000 2.407 90 V HA 0.404 4.524 4.120 -0.001 0.000 0.278 90 V C 0.541 176.591 176.094 -0.074 0.000 1.037 90 V CA -0.623 61.635 62.300 -0.071 0.000 0.900 90 V CB 0.771 32.552 31.823 -0.070 0.000 0.983 90 V HN 0.658 nan 8.190 nan 0.000 0.459 91 A N 4.128 126.930 122.820 -0.031 0.000 2.488 91 A HA 0.522 4.841 4.320 -0.001 0.000 0.249 91 A C 1.402 178.969 177.584 -0.028 0.000 1.083 91 A CA 0.510 52.531 52.037 -0.027 0.000 0.768 91 A CB -0.334 18.659 19.000 -0.011 0.000 1.017 91 A HN 2.160 nan 8.150 nan 0.000 0.496 92 G N 0.962 109.743 108.800 -0.032 0.000 2.225 92 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.267 92 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.267 92 G C -0.100 174.781 174.900 -0.031 0.000 1.024 92 G CA 0.862 45.947 45.100 -0.025 0.000 0.784 92 G HN 1.163 nan 8.290 nan 0.000 0.507 93 E N -0.546 119.622 120.200 -0.054 0.000 2.293 93 E HA 0.594 4.943 4.350 -0.001 0.000 0.270 93 E C -0.400 176.151 176.600 -0.082 0.000 0.879 93 E CA -1.044 55.321 56.400 -0.057 0.000 0.756 93 E CB 1.181 30.846 29.700 -0.059 0.000 1.208 93 E HN 0.148 nan 8.360 nan 0.000 0.428 94 E N 3.120 123.285 120.200 -0.058 0.000 2.180 94 E HA 0.223 4.572 4.350 -0.001 0.000 0.283 94 E C -0.696 175.861 176.600 -0.072 0.000 1.061 94 E CA 0.112 56.478 56.400 -0.057 0.000 0.861 94 E CB 0.104 29.787 29.700 -0.027 0.000 1.056 94 E HN 0.545 nan 8.360 nan 0.000 0.407 95 N N 3.462 122.098 118.700 -0.106 0.000 2.667 95 N HA -0.268 4.471 4.740 -0.001 0.000 0.263 95 N C -1.611 173.822 175.510 -0.128 0.000 1.038 95 N CA 1.123 54.120 53.050 -0.090 0.000 0.749 95 N CB -0.696 37.806 38.487 0.025 0.000 0.892 95 N HN 0.678 nan 8.380 nan 0.000 0.546 96 Q N 0.977 120.553 119.800 -0.374 0.000 2.289 96 Q HA 0.502 4.841 4.340 -0.001 0.000 0.270 96 Q C -1.521 174.185 176.000 -0.491 0.000 1.038 96 Q CA -0.697 54.959 55.803 -0.244 0.000 0.812 96 Q CB 1.103 29.771 28.738 -0.116 0.000 1.300 96 Q HN 0.313 nan 8.270 nan 0.000 0.427 97 Y N 1.751 122.049 120.300 -0.004 0.000 2.576 97 Y HA 0.516 5.066 4.550 -0.001 0.000 0.346 97 Y C -0.258 175.641 175.900 -0.002 0.000 1.018 97 Y CA -1.124 56.975 58.100 -0.002 0.000 1.050 97 Y CB 1.526 39.971 38.460 -0.026 0.000 1.280 97 Y HN 0.447 nan 8.280 nan 0.000 0.474 98 I N 2.403 123.078 120.570 0.174 0.000 2.312 98 I HA 0.251 4.421 4.170 -0.001 0.000 0.290 98 I C -0.675 175.456 176.117 0.023 0.000 1.008 98 I CA -0.531 60.800 61.300 0.051 0.000 1.226 98 I CB 0.367 38.415 38.000 0.080 0.000 1.371 98 I HN 0.572 nan 8.210 nan 0.000 0.468 99 C N 6.915 126.191 119.300 -0.041 0.000 2.329 99 C HA 0.504 4.964 4.460 -0.001 0.000 0.329 99 C C -0.089 174.847 174.990 -0.090 0.000 1.275 99 C CA -0.693 58.329 59.018 0.008 0.000 1.726 99 C CB 0.235 27.986 27.740 0.017 0.000 2.291 99 C HN 0.506 nan 8.230 nan 0.000 0.514 100 Y N 1.618 121.907 120.300 -0.018 0.000 2.328 100 Y HA 0.590 5.140 4.550 -0.001 0.000 0.337 100 Y C 0.264 176.053 175.900 -0.185 0.000 1.008 100 Y CA -0.422 57.604 58.100 -0.123 0.000 1.129 100 Y CB 0.985 39.151 38.460 -0.489 0.000 1.185 100 Y HN 0.406 nan 8.280 nan 0.000 0.476 101 V N 2.755 122.817 119.914 0.247 0.000 2.656 101 V HA 0.824 4.943 4.120 -0.001 0.000 0.307 101 V C -0.448 175.778 176.094 0.220 0.000 1.051 101 V CA -1.120 61.291 62.300 0.186 0.000 0.893 101 V CB 1.753 33.632 31.823 0.094 0.000 0.999 101 V HN 0.848 nan 8.190 nan 0.000 0.426 102 A N 3.857 126.742 122.820 0.110 0.000 2.318 102 A HA 0.875 5.194 4.320 -0.001 0.000 0.324 102 A C -1.508 175.931 177.584 -0.241 0.000 1.170 102 A CA -0.381 51.683 52.037 0.045 0.000 0.810 102 A CB 0.671 19.736 19.000 0.110 0.000 1.198 102 A HN 0.737 nan 8.150 nan 0.000 0.484 103 Y N 2.826 123.226 120.300 0.167 0.000 2.350 103 Y HA 0.458 5.007 4.550 -0.001 0.000 0.338 103 Y C -2.130 173.887 175.900 0.196 0.000 0.961 103 Y CA -2.507 55.714 58.100 0.202 0.000 1.100 103 Y CB 1.904 40.596 38.460 0.387 0.000 1.179 103 Y HN 0.500 nan 8.280 nan 0.000 0.454 104 P HA -0.026 nan 4.420 nan 0.000 0.271 104 P C 0.786 178.234 177.300 0.246 0.000 1.218 104 P CA -0.256 62.939 63.100 0.158 0.000 0.780 104 P CB 1.454 33.166 31.700 0.020 0.000 0.901 105 L N 2.791 124.115 121.223 0.168 0.000 2.089 105 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 105 L C 1.450 178.443 176.870 0.205 0.000 1.079 105 L CA 2.102 57.047 54.840 0.174 0.000 0.758 105 L CB -1.333 40.778 42.059 0.086 0.000 0.891 105 L HN 0.236 nan 8.230 nan 0.000 0.433 106 D N -0.723 119.746 120.400 0.115 0.000 2.351 106 D HA -0.132 4.507 4.640 -0.001 0.000 0.216 106 D C 2.143 178.481 176.300 0.064 0.000 0.968 106 D CA 0.937 55.000 54.000 0.106 0.000 0.899 106 D CB -0.109 40.754 40.800 0.105 0.000 0.907 106 D HN 0.429 nan 8.370 nan 0.000 0.514 107 L N -0.838 120.328 121.223 -0.096 0.000 2.395 107 L HA 0.044 4.383 4.340 -0.001 0.000 0.218 107 L C 0.224 176.705 176.870 -0.648 0.000 1.130 107 L CA 0.296 54.880 54.840 -0.427 0.000 0.826 107 L CB -0.187 41.426 42.059 -0.744 0.000 0.941 107 L HN -0.119 nan 8.230 nan 0.000 0.451 108 F N -0.238 119.682 119.950 -0.051 0.000 2.450 108 F HA 0.332 4.859 4.527 -0.001 0.000 0.332 108 F C 0.639 176.477 175.800 0.063 0.000 1.093 108 F CA -1.116 56.848 58.000 -0.060 0.000 1.003 108 F CB 0.949 39.747 39.000 -0.336 0.000 1.151 108 F HN -0.178 nan 8.300 nan 0.000 0.474 109 E N 1.662 122.024 120.200 0.269 0.000 2.289 109 E HA 0.146 4.496 4.350 -0.001 0.000 0.278 109 E C -0.826 175.923 176.600 0.248 0.000 1.032 109 E CA -0.646 55.870 56.400 0.193 0.000 0.854 109 E CB 0.628 30.391 29.700 0.106 0.000 1.046 109 E HN 0.525 nan 8.360 nan 0.000 0.409 110 E N 2.325 122.603 120.200 0.130 0.000 2.465 110 E HA 0.166 4.516 4.350 -0.001 0.000 0.260 110 E C 0.903 177.273 176.600 -0.383 0.000 0.980 110 E CA 1.257 57.617 56.400 -0.066 0.000 0.927 110 E CB 0.549 30.210 29.700 -0.066 0.000 0.934 110 E HN 0.810 nan 8.360 nan 0.000 0.459 111 G N 2.591 110.752 108.800 -1.064 0.000 2.175 111 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.265 111 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.265 111 G C 0.373 174.850 174.900 -0.705 0.000 0.979 111 G CA 0.607 44.864 45.100 -1.406 0.000 0.663 111 G HN 0.533 nan 8.290 nan 0.000 0.533 112 S N -0.456 115.068 115.700 -0.294 0.000 2.532 112 S HA 0.530 5.000 4.470 -0.001 0.000 0.318 112 S C 1.500 176.215 174.600 0.192 0.000 1.083 112 S CA 0.062 58.290 58.200 0.046 0.000 1.131 112 S CB 1.236 64.472 63.200 0.061 0.000 0.973 112 S HN 0.500 nan 8.310 nan 0.000 0.468 113 V N 4.900 124.900 119.914 0.145 0.000 2.427 113 V HA -0.116 4.004 4.120 -0.001 0.000 0.248 113 V C 2.544 178.440 176.094 -0.330 0.000 1.051 113 V CA 2.336 64.477 62.300 -0.266 0.000 1.048 113 V CB -0.937 30.489 31.823 -0.662 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.048 114.555 114.554 -0.079 0.000 2.665 114 T HA -0.257 4.092 4.350 -0.001 0.000 0.268 114 T C 1.898 176.650 174.700 0.087 0.000 1.035 114 T CA 2.002 64.139 62.100 0.061 0.000 1.151 114 T CB -0.452 68.493 68.868 0.129 0.000 0.862 114 T HN 0.565 nan 8.240 nan 0.000 0.438 115 N N 0.364 119.124 118.700 0.100 0.000 2.270 115 N HA -0.030 4.710 4.740 -0.001 0.000 0.181 115 N C 2.087 177.714 175.510 0.195 0.000 1.016 115 N CA 0.794 53.925 53.050 0.135 0.000 0.870 115 N CB -0.172 38.401 38.487 0.144 0.000 0.979 115 N HN 0.397 nan 8.380 nan 0.000 0.431 116 M N -0.183 119.533 119.600 0.194 0.000 2.086 116 M HA -0.167 4.312 4.480 -0.001 0.000 0.261 116 M C 1.352 177.773 176.300 0.202 0.000 1.067 116 M CA 1.510 56.937 55.300 0.211 0.000 1.116 116 M CB -0.126 32.468 32.600 -0.010 0.000 1.348 116 M HN 0.018 nan 8.290 nan 0.000 0.407 117 F N 0.530 120.490 119.950 0.017 0.000 2.186 117 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 117 F C 2.581 178.397 175.800 0.026 0.000 1.090 117 F CA 1.553 59.547 58.000 -0.010 0.000 1.307 117 F CB -1.578 37.392 39.000 -0.049 0.000 1.019 117 F HN 0.196 nan 8.300 nan 0.000 0.489 118 T N -0.706 113.987 114.554 0.233 0.000 2.720 118 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 118 T C 2.308 177.069 174.700 0.102 0.000 1.037 118 T CA 1.807 63.991 62.100 0.139 0.000 1.144 118 T CB -0.430 68.501 68.868 0.105 0.000 0.864 118 T HN 0.150 nan 8.240 nan 0.000 0.444 119 S N 0.914 116.668 115.700 0.091 0.000 2.355 119 S HA 0.069 4.539 4.470 -0.001 0.000 0.222 119 S C 2.068 176.672 174.600 0.006 0.000 1.031 119 S CA 0.877 59.080 58.200 0.005 0.000 0.993 119 S CB -0.293 62.838 63.200 -0.116 0.000 0.859 119 S HN 0.420 nan 8.310 nan 0.000 0.453 120 I N 0.263 120.861 120.570 0.047 0.000 2.339 120 I HA 0.018 4.188 4.170 -0.001 0.000 0.245 120 I C 1.632 177.906 176.117 0.262 0.000 1.096 120 I CA 0.878 62.198 61.300 0.034 0.000 1.408 120 I CB 0.012 38.007 38.000 -0.008 0.000 1.092 120 I HN 0.108 nan 8.210 nan 0.000 0.423 121 V N 0.568 120.618 119.914 0.226 0.000 3.578 121 V HA 0.191 4.310 4.120 -0.001 0.000 0.290 121 V C 2.005 178.175 176.094 0.127 0.000 1.376 121 V CA 0.737 63.177 62.300 0.233 0.000 1.083 121 V CB 0.468 32.270 31.823 -0.036 0.000 0.911 121 V HN 0.462 nan 8.190 nan 0.000 0.433 122 G N 0.255 109.127 108.800 0.121 0.000 2.534 122 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 122 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 122 G C 1.257 176.219 174.900 0.103 0.000 1.128 122 G CA 0.993 46.145 45.100 0.086 0.000 0.784 122 G HN 0.528 nan 8.290 nan 0.000 0.542 123 N N -1.062 117.724 118.700 0.143 0.000 2.428 123 N HA -0.055 4.685 4.740 -0.001 0.000 0.249 123 N C 2.234 177.840 175.510 0.160 0.000 1.092 123 N CA 0.899 54.025 53.050 0.127 0.000 0.833 123 N CB 0.045 38.576 38.487 0.073 0.000 1.575 123 N HN 0.014 nan 8.380 nan 0.000 0.476 124 V N 0.030 120.031 119.914 0.144 0.000 2.380 124 V HA -0.168 3.952 4.120 -0.001 0.000 0.251 124 V C 1.746 177.881 176.094 0.069 0.000 1.063 124 V CA 1.507 63.820 62.300 0.022 0.000 1.055 124 V CB -1.357 30.336 31.823 -0.217 0.000 0.657 124 V HN 0.064 nan 8.190 nan 0.000 0.455 125 F N 2.464 122.436 119.950 0.038 0.000 2.373 125 F HA 0.086 4.612 4.527 -0.001 0.000 0.300 125 F C 2.269 178.167 175.800 0.163 0.000 1.080 125 F CA 1.330 59.379 58.000 0.082 0.000 1.417 125 F CB -0.924 38.107 39.000 0.052 0.000 1.070 125 F HN 0.327 nan 8.300 nan 0.000 0.546 126 G N -1.892 107.075 108.800 0.278 0.000 3.233 126 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.234 126 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.234 126 G C 0.021 175.021 174.900 0.166 0.000 1.137 126 G CA -0.252 44.965 45.100 0.194 0.000 0.763 126 G HN 0.118 nan 8.290 nan 0.000 0.549 127 F N 1.951 121.903 119.950 0.003 0.000 2.541 127 F HA 0.282 4.808 4.527 -0.001 0.000 0.378 127 F C 1.523 177.304 175.800 -0.031 0.000 1.068 127 F CA -0.873 57.107 58.000 -0.034 0.000 1.199 127 F CB 1.071 40.023 39.000 -0.081 0.000 1.091 127 F HN -0.151 nan 8.300 nan 0.000 0.555 128 K N 4.272 124.326 120.400 -0.576 0.000 2.211 128 K HA -0.107 4.213 4.320 -0.001 0.000 0.204 128 K C 1.870 178.208 176.600 -0.437 0.000 1.047 128 K CA 1.091 57.113 56.287 -0.443 0.000 0.935 128 K CB -0.448 31.826 32.500 -0.376 0.000 0.728 128 K HN 0.709 nan 8.250 nan 0.000 0.452 129 A N 0.634 123.036 122.820 -0.698 0.000 2.209 129 A HA 0.051 4.370 4.320 -0.001 0.000 0.212 129 A C 0.896 178.427 177.584 -0.088 0.000 1.158 129 A CA 0.391 52.247 52.037 -0.302 0.000 0.742 129 A CB -0.136 18.765 19.000 -0.164 0.000 0.790 129 A HN 0.118 nan 8.150 nan 0.000 0.472 130 L N -1.013 120.178 121.223 -0.054 0.000 2.334 130 L HA 0.420 4.760 4.340 -0.001 0.000 0.276 130 L C 1.500 178.369 176.870 -0.001 0.000 1.014 130 L CA -0.683 54.162 54.840 0.008 0.000 0.815 130 L CB 1.690 43.771 42.059 0.038 0.000 1.268 130 L HN 0.430 nan 8.230 nan 0.000 0.428 131 R N 1.930 122.440 120.500 0.017 0.000 2.237 131 R HA 0.468 4.808 4.340 -0.001 0.000 0.195 131 R C 0.122 176.461 176.300 0.065 0.000 0.956 131 R CA 0.653 56.764 56.100 0.019 0.000 1.029 131 R CB 0.550 30.857 30.300 0.011 0.000 0.972 131 R HN 0.673 nan 8.270 nan 0.000 0.493 132 A N 0.557 123.440 122.820 0.105 0.000 2.601 132 A HA 0.623 4.943 4.320 -0.001 0.000 0.291 132 A C -2.140 175.517 177.584 0.122 0.000 1.075 132 A CA -0.742 51.440 52.037 0.242 0.000 0.671 132 A CB 1.735 20.856 19.000 0.201 0.000 1.277 132 A HN 0.155 nan 8.150 nan 0.000 0.417 133 L N 0.215 121.472 121.223 0.056 0.000 2.549 133 L HA 0.770 5.110 4.340 -0.001 0.000 0.259 133 L C -0.830 175.898 176.870 -0.237 0.000 0.934 133 L CA -0.050 54.631 54.840 -0.264 0.000 0.865 133 L CB 1.967 43.620 42.059 -0.676 0.000 1.352 133 L HN 0.874 nan 8.230 nan 0.000 0.410 134 R N 3.896 124.383 120.500 -0.022 0.000 2.574 134 R HA 0.614 4.953 4.340 -0.001 0.000 0.288 134 R C -1.850 174.548 176.300 0.162 0.000 1.004 134 R CA -0.891 55.295 56.100 0.144 0.000 0.895 134 R CB 1.773 32.137 30.300 0.107 0.000 1.191 134 R HN 0.668 nan 8.270 nan 0.000 0.444 135 L N 4.367 125.718 121.223 0.214 0.000 2.278 135 L HA 0.248 4.587 4.340 -0.001 0.000 0.287 135 L C 0.701 177.510 176.870 -0.100 0.000 1.072 135 L CA 0.548 55.346 54.840 -0.070 0.000 0.819 135 L CB 1.159 43.186 42.059 -0.054 0.000 1.176 135 L HN 0.716 nan 8.230 nan 0.000 0.435 136 E N 2.248 122.295 120.200 -0.254 0.000 2.166 136 E HA 0.107 4.457 4.350 -0.001 0.000 0.192 136 E C -0.278 176.173 176.600 -0.248 0.000 0.967 136 E CA 0.474 56.699 56.400 -0.292 0.000 0.840 136 E CB 0.462 29.757 29.700 -0.676 0.000 0.795 136 E HN 0.681 nan 8.360 nan 0.000 0.470 137 D N -1.060 119.199 120.400 -0.235 0.000 2.623 137 D HA 0.402 5.042 4.640 -0.001 0.000 0.241 137 D C -1.539 174.865 176.300 0.173 0.000 1.241 137 D CA -0.453 53.560 54.000 0.022 0.000 0.788 137 D CB 1.428 42.275 40.800 0.077 0.000 1.413 137 D HN -0.151 nan 8.370 nan 0.000 0.429 138 L N 1.341 122.663 121.223 0.164 0.000 2.431 138 L HA 0.518 4.857 4.340 -0.001 0.000 0.266 138 L C -0.315 176.462 176.870 -0.154 0.000 0.978 138 L CA -0.920 53.902 54.840 -0.030 0.000 0.822 138 L CB 2.266 44.288 42.059 -0.062 0.000 1.310 138 L HN 0.189 nan 8.230 nan 0.000 0.409 139 R N 4.199 124.386 120.500 -0.522 0.000 2.215 139 R HA 0.392 4.731 4.340 -0.001 0.000 0.337 139 R C -0.964 175.130 176.300 -0.343 0.000 1.010 139 R CA -0.663 55.160 56.100 -0.462 0.000 0.871 139 R CB 0.568 30.444 30.300 -0.707 0.000 1.134 139 R HN 0.434 nan 8.270 nan 0.000 0.477 140 I N 7.709 128.087 120.570 -0.319 0.000 2.337 140 I HA 0.253 4.422 4.170 -0.001 0.000 0.291 140 I C -1.855 174.115 176.117 -0.246 0.000 1.046 140 I CA -2.806 58.326 61.300 -0.279 0.000 1.324 140 I CB 0.934 38.740 38.000 -0.323 0.000 1.409 140 I HN 0.277 nan 8.210 nan 0.000 0.494 141 P HA 0.025 nan 4.420 nan 0.000 0.271 141 P C 1.175 178.445 177.300 -0.050 0.000 1.218 141 P CA -0.145 62.896 63.100 -0.098 0.000 0.780 141 P CB 1.358 33.021 31.700 -0.062 0.000 0.901 142 V N 0.382 120.268 119.914 -0.047 0.000 2.594 142 V HA -0.210 3.910 4.120 -0.001 0.000 0.253 142 V C 2.245 178.363 176.094 0.040 0.000 1.069 142 V CA 2.031 64.323 62.300 -0.014 0.000 1.082 142 V CB -2.111 29.710 31.823 -0.003 0.000 0.680 142 V HN 0.534 nan 8.190 nan 0.000 0.469 143 A N -0.965 121.887 122.820 0.055 0.000 2.015 143 A HA -0.122 4.198 4.320 -0.001 0.000 0.219 143 A C 2.128 179.806 177.584 0.156 0.000 1.163 143 A CA 1.852 53.939 52.037 0.084 0.000 0.646 143 A CB -0.754 18.289 19.000 0.072 0.000 0.806 143 A HN 0.719 nan 8.150 nan 0.000 0.448 144 Y N -0.134 120.176 120.300 0.018 0.000 2.347 144 Y HA 0.009 4.558 4.550 -0.001 0.000 0.294 144 Y C 2.308 178.326 175.900 0.197 0.000 1.117 144 Y CA 0.937 59.080 58.100 0.072 0.000 1.184 144 Y CB -0.145 38.320 38.460 0.009 0.000 1.047 144 Y HN 0.052 nan 8.280 nan 0.000 0.546 145 V N 0.657 120.651 119.914 0.133 0.000 2.392 145 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 145 V C 2.156 178.346 176.094 0.160 0.000 1.059 145 V CA 1.943 64.305 62.300 0.104 0.000 1.051 145 V CB -0.486 31.353 31.823 0.026 0.000 0.658 145 V HN 0.222 nan 8.190 nan 0.000 0.455 146 K N 0.573 121.030 120.400 0.096 0.000 2.515 146 K HA -0.061 4.259 4.320 -0.001 0.000 0.196 146 K C 1.970 178.578 176.600 0.012 0.000 1.038 146 K CA 1.411 57.735 56.287 0.063 0.000 0.967 146 K CB -0.642 31.884 32.500 0.044 0.000 0.780 146 K HN 0.755 nan 8.250 nan 0.000 0.483 147 T N -2.429 112.095 114.554 -0.050 0.000 3.107 147 T HA 0.152 4.501 4.350 -0.001 0.000 0.249 147 T C 0.484 174.949 174.700 -0.393 0.000 1.096 147 T CA -0.264 61.692 62.100 -0.241 0.000 1.012 147 T CB -0.167 68.480 68.868 -0.368 0.000 0.977 147 T HN -0.169 nan 8.240 nan 0.000 0.527 148 F N 1.190 121.054 119.950 -0.143 0.000 2.470 148 F HA 0.505 5.031 4.527 -0.001 0.000 0.329 148 F C 1.595 177.375 175.800 -0.033 0.000 1.072 148 F CA -1.322 56.626 58.000 -0.087 0.000 0.989 148 F CB 1.879 40.815 39.000 -0.107 0.000 1.193 148 F HN -0.124 nan 8.300 nan 0.000 0.481 149 Q N 1.725 121.642 119.800 0.196 0.000 2.137 149 Q HA 0.240 4.580 4.340 -0.001 0.000 0.198 149 Q C 0.958 177.014 176.000 0.093 0.000 0.960 149 Q CA 1.107 56.963 55.803 0.089 0.000 0.847 149 Q CB -0.005 28.768 28.738 0.058 0.000 0.915 149 Q HN 1.002 nan 8.270 nan 0.000 0.448 150 G N 0.537 109.417 108.800 0.133 0.000 2.632 150 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.224 150 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.224 150 G C -2.581 172.320 174.900 0.003 0.000 1.341 150 G CA -0.443 44.684 45.100 0.045 0.000 0.880 150 G HN 0.315 nan 8.290 nan 0.000 0.566 151 P HA 0.209 nan 4.420 nan 0.000 0.266 151 P C -1.744 175.503 177.300 -0.088 0.000 1.195 151 P CA -0.414 62.648 63.100 -0.064 0.000 0.768 151 P CB 0.439 32.095 31.700 -0.074 0.000 0.838 152 P HA -0.168 nan 4.420 nan 0.000 0.216 152 P C 0.775 177.678 177.300 -0.660 0.000 1.150 152 P CA 1.844 64.754 63.100 -0.317 0.000 0.837 152 P CB 0.062 31.626 31.700 -0.227 0.000 0.786 153 H N -3.438 115.624 119.070 -0.014 0.000 2.027 153 H HA 0.365 4.921 4.556 -0.001 0.000 0.209 153 H C 1.114 176.438 175.328 -0.006 0.000 0.903 153 H CA 1.051 57.094 56.048 -0.008 0.000 1.078 153 H CB 0.134 29.892 29.762 -0.005 0.000 1.248 153 H HN 0.059 nan 8.280 nan 0.000 0.432 154 G N 1.033 109.895 108.800 0.104 0.000 2.662 154 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.686 154 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.686 154 G C 0.811 175.751 174.900 0.067 0.000 1.271 154 G CA -0.101 45.026 45.100 0.046 0.000 0.816 154 G HN 0.202 nan 8.290 nan 0.000 0.608 155 I N 0.299 120.894 120.570 0.040 0.000 2.087 155 I HA -0.341 3.829 4.170 -0.001 0.000 0.240 155 I C 2.992 179.145 176.117 0.060 0.000 1.054 155 I CA 2.587 63.915 61.300 0.048 0.000 1.311 155 I CB -0.402 37.614 38.000 0.028 0.000 1.024 155 I HN 0.656 nan 8.210 nan 0.000 0.402 156 Q N 0.276 120.114 119.800 0.063 0.000 2.050 156 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 156 Q C 2.295 178.347 176.000 0.086 0.000 0.980 156 Q CA 1.522 57.374 55.803 0.082 0.000 0.840 156 Q CB -0.604 28.181 28.738 0.078 0.000 0.898 156 Q HN 0.382 nan 8.270 nan 0.000 0.424 157 V N 0.785 120.750 119.914 0.086 0.000 2.343 157 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 157 V C 2.226 178.358 176.094 0.064 0.000 1.051 157 V CA 2.080 64.435 62.300 0.093 0.000 1.036 157 V CB -0.604 31.301 31.823 0.136 0.000 0.654 157 V HN 0.468 nan 8.190 nan 0.000 0.451 158 E N 0.374 120.613 120.200 0.066 0.000 2.058 158 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 158 E C 2.447 179.051 176.600 0.006 0.000 0.997 158 E CA 1.470 57.894 56.400 0.040 0.000 0.801 158 E CB -0.115 29.641 29.700 0.094 0.000 0.746 158 E HN 0.503 nan 8.360 nan 0.000 0.450 159 R N 0.299 120.789 120.500 -0.016 0.000 2.081 159 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 159 R C 1.987 178.145 176.300 -0.237 0.000 1.131 159 R CA 1.520 57.521 56.100 -0.166 0.000 0.960 159 R CB -0.196 30.012 30.300 -0.152 0.000 0.856 159 R HN 0.300 nan 8.270 nan 0.000 0.436 160 D N 0.399 120.786 120.400 -0.022 0.000 2.144 160 D HA -0.109 4.530 4.640 -0.001 0.000 0.200 160 D C 1.821 178.138 176.300 0.029 0.000 0.978 160 D CA 1.019 55.068 54.000 0.082 0.000 0.833 160 D CB 0.033 40.913 40.800 0.133 0.000 0.961 160 D HN 0.029 nan 8.370 nan 0.000 0.470 161 K N 0.458 120.858 120.400 -0.000 0.000 2.025 161 K HA 0.003 4.322 4.320 -0.001 0.000 0.207 161 K C 2.251 178.839 176.600 -0.020 0.000 1.049 161 K CA 0.463 56.744 56.287 -0.011 0.000 0.933 161 K CB -0.396 32.077 32.500 -0.046 0.000 0.714 161 K HN 0.261 nan 8.250 nan 0.000 0.438 162 L N 0.387 121.584 121.223 -0.044 0.000 2.418 162 L HA 0.050 4.390 4.340 -0.001 0.000 0.218 162 L C 0.631 177.440 176.870 -0.102 0.000 1.125 162 L CA 0.067 54.874 54.840 -0.054 0.000 0.835 162 L CB -0.549 41.489 42.059 -0.035 0.000 0.953 162 L HN 0.432 nan 8.230 nan 0.000 0.454 163 N N 1.366 119.973 118.700 -0.156 0.000 2.756 163 N HA -0.176 4.563 4.740 -0.001 0.000 0.248 163 N C -0.516 174.818 175.510 -0.293 0.000 1.062 163 N CA 0.318 53.275 53.050 -0.155 0.000 0.696 163 N CB -0.394 38.101 38.487 0.014 0.000 0.946 163 N HN 0.374 nan 8.380 nan 0.000 0.548 164 K N 1.575 121.632 120.400 -0.571 0.000 2.413 164 K HA 0.405 4.725 4.320 -0.001 0.000 0.257 164 K C -1.385 174.851 176.600 -0.606 0.000 0.946 164 K CA -0.358 55.690 56.287 -0.400 0.000 0.823 164 K CB 1.073 33.434 32.500 -0.232 0.000 1.109 164 K HN 0.117 nan 8.250 nan 0.000 0.427 165 Y N -0.549 119.757 120.300 0.010 0.000 2.576 165 Y HA 0.408 4.958 4.550 -0.000 0.000 0.346 165 Y C 1.079 176.988 175.900 0.014 0.000 1.018 165 Y CA -0.838 57.271 58.100 0.015 0.000 1.050 165 Y CB 2.421 40.890 38.460 0.015 0.000 1.280 165 Y HN 0.771 nan 8.280 nan 0.000 0.474 166 G N 1.630 110.547 108.800 0.195 0.000 2.179 166 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.257 166 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.257 166 G C -0.235 174.710 174.900 0.076 0.000 1.010 166 G CA 0.617 45.786 45.100 0.115 0.000 0.736 166 G HN 0.903 nan 8.290 nan 0.000 0.513 167 R N -2.314 118.223 120.500 0.061 0.000 2.709 167 R HA 0.587 4.927 4.340 -0.001 0.000 0.270 167 R C -3.520 172.799 176.300 0.031 0.000 1.038 167 R CA -1.833 54.294 56.100 0.044 0.000 0.872 167 R CB 0.362 30.683 30.300 0.035 0.000 1.259 167 R HN 0.017 nan 8.270 nan 0.000 0.473 168 P HA 0.133 nan 4.420 nan 0.000 0.272 168 P C -0.515 176.792 177.300 0.012 0.000 1.223 168 P CA -0.328 62.782 63.100 0.017 0.000 0.784 168 P CB 0.520 32.234 31.700 0.023 0.000 0.923 169 L N 1.873 123.104 121.223 0.013 0.000 2.421 169 L HA 0.414 4.754 4.340 -0.001 0.000 0.263 169 L C 0.199 177.107 176.870 0.063 0.000 1.122 169 L CA -0.560 54.301 54.840 0.035 0.000 0.804 169 L CB 0.170 42.320 42.059 0.151 0.000 1.150 169 L HN 0.172 nan 8.230 nan 0.000 0.457 170 L N 0.826 122.082 121.223 0.055 0.000 2.365 170 L HA 0.755 5.095 4.340 -0.001 0.000 0.273 170 L C 0.110 177.066 176.870 0.143 0.000 1.000 170 L CA -0.368 54.539 54.840 0.112 0.000 0.819 170 L CB 1.940 44.053 42.059 0.090 0.000 1.284 170 L HN 0.686 nan 8.230 nan 0.000 0.418 171 G N 0.420 109.317 108.800 0.161 0.000 2.733 171 G HA2 0.633 4.593 3.960 -0.001 0.000 0.288 171 G HA3 0.633 4.593 3.960 -0.001 0.000 0.288 171 G C -2.001 172.935 174.900 0.061 0.000 1.373 171 G CA -0.529 44.639 45.100 0.115 0.000 0.895 171 G HN 0.683 nan 8.290 nan 0.000 0.479 172 C N 0.201 119.486 119.300 -0.024 0.000 2.752 172 C HA 0.734 5.193 4.460 -0.001 0.000 0.360 172 C C -0.072 174.884 174.990 -0.058 0.000 1.081 172 C CA -0.400 58.617 59.018 -0.002 0.000 1.272 172 C CB 0.511 28.260 27.740 0.015 0.000 1.754 172 C HN 0.804 nan 8.230 nan 0.000 0.483 173 T N 7.014 121.561 114.554 -0.012 0.000 2.780 173 T HA 0.392 4.741 4.350 -0.001 0.000 0.294 173 T C 0.306 175.001 174.700 -0.009 0.000 0.949 173 T CA -0.206 61.893 62.100 -0.002 0.000 1.074 173 T CB 0.349 69.253 68.868 0.061 0.000 0.910 173 T HN 0.554 nan 8.240 nan 0.000 0.501 174 I N 4.660 125.202 120.570 -0.046 0.000 2.496 174 I HA 0.264 4.434 4.170 -0.001 0.000 0.285 174 I C 0.684 176.796 176.117 -0.007 0.000 1.080 174 I CA -0.180 61.044 61.300 -0.125 0.000 1.404 174 I CB 0.000 37.701 38.000 -0.499 0.000 1.403 174 I HN 0.643 nan 8.210 nan 0.000 0.539 175 K N 7.102 127.510 120.400 0.013 0.000 2.477 175 K HA 0.635 4.954 4.320 -0.001 0.000 0.255 175 K C -2.731 173.913 176.600 0.074 0.000 0.952 175 K CA -1.723 54.608 56.287 0.074 0.000 0.826 175 K CB 1.545 34.091 32.500 0.077 0.000 1.331 175 K HN 0.282 nan 8.250 nan 0.000 0.437 176 P HA -0.010 nan 4.420 nan 0.000 0.269 176 P C -0.082 177.319 177.300 0.168 0.000 1.209 176 P CA -0.262 62.906 63.100 0.113 0.000 0.776 176 P CB 0.854 32.613 31.700 0.098 0.000 0.876 177 K N 1.687 122.178 120.400 0.152 0.000 2.057 177 K HA -0.005 4.315 4.320 -0.001 0.000 0.206 177 K C 0.531 177.241 176.600 0.184 0.000 1.050 177 K CA 0.873 57.272 56.287 0.187 0.000 0.935 177 K CB -0.216 32.358 32.500 0.124 0.000 0.715 177 K HN 0.350 nan 8.250 nan 0.000 0.439 178 L N -0.251 121.054 121.223 0.135 0.000 2.365 178 L HA 0.435 4.775 4.340 -0.001 0.000 0.273 178 L C 0.462 177.403 176.870 0.118 0.000 1.000 178 L CA -0.150 54.763 54.840 0.121 0.000 0.819 178 L CB 2.184 44.293 42.059 0.083 0.000 1.284 178 L HN 0.590 nan 8.230 nan 0.000 0.418 179 G N 2.371 111.261 108.800 0.150 0.000 2.617 179 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.197 179 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.197 179 G C -0.069 174.959 174.900 0.214 0.000 1.017 179 G CA -0.682 44.479 45.100 0.102 0.000 0.713 179 G HN 0.326 nan 8.290 nan 0.000 0.481 180 L N 2.690 124.076 121.223 0.272 0.000 2.436 180 L HA 0.544 4.883 4.340 -0.001 0.000 0.265 180 L C 1.424 178.507 176.870 0.355 0.000 1.168 180 L CA -0.017 55.006 54.840 0.306 0.000 0.815 180 L CB 1.286 43.527 42.059 0.305 0.000 1.109 180 L HN 0.488 nan 8.230 nan 0.000 0.462 181 S N 1.055 116.924 115.700 0.281 0.000 2.603 181 S HA 0.320 4.790 4.470 -0.001 0.000 0.268 181 S C 1.066 175.625 174.600 -0.068 0.000 1.317 181 S CA -0.246 57.933 58.200 -0.035 0.000 1.012 181 S CB 1.592 64.741 63.200 -0.086 0.000 0.926 181 S HN 0.707 nan 8.310 nan 0.000 0.539 182 A N 1.780 124.497 122.820 -0.171 0.000 1.917 182 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 182 A C 2.153 179.596 177.584 -0.235 0.000 1.182 182 A CA 2.065 54.043 52.037 -0.097 0.000 0.633 182 A CB -0.943 18.081 19.000 0.041 0.000 0.819 182 A HN 0.970 nan 8.150 nan 0.000 0.448 183 K N -0.287 119.741 120.400 -0.621 0.000 2.057 183 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 183 K C 1.756 178.191 176.600 -0.275 0.000 1.050 183 K CA 1.576 57.349 56.287 -0.857 0.000 0.935 183 K CB -0.316 31.608 32.500 -0.961 0.000 0.715 183 K HN 0.658 nan 8.250 nan 0.000 0.439 184 N N -0.758 117.871 118.700 -0.117 0.000 2.244 184 N HA -0.181 4.559 4.740 -0.001 0.000 0.183 184 N C 1.596 177.156 175.510 0.083 0.000 1.016 184 N CA 0.847 53.900 53.050 0.006 0.000 0.866 184 N CB -0.103 38.418 38.487 0.057 0.000 0.980 184 N HN 0.203 nan 8.380 nan 0.000 0.430 185 Y N 1.393 121.676 120.300 -0.029 0.000 2.163 185 Y HA -0.090 4.460 4.550 -0.001 0.000 0.288 185 Y C 2.474 178.381 175.900 0.011 0.000 1.136 185 Y CA 1.700 59.812 58.100 0.019 0.000 1.147 185 Y CB -0.624 37.859 38.460 0.039 0.000 0.987 185 Y HN -0.041 nan 8.280 nan 0.000 0.509 186 G N -0.141 108.770 108.800 0.185 0.000 2.422 186 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.218 186 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.218 186 G C 1.766 176.720 174.900 0.090 0.000 1.146 186 G CA 0.854 46.028 45.100 0.124 0.000 0.769 186 G HN 0.378 nan 8.290 nan 0.000 0.547 187 R N 0.579 121.119 120.500 0.066 0.000 2.083 187 R HA -0.018 4.322 4.340 -0.001 0.000 0.237 187 R C 2.819 179.174 176.300 0.091 0.000 1.137 187 R CA 1.587 57.748 56.100 0.102 0.000 0.951 187 R CB -0.428 29.908 30.300 0.061 0.000 0.851 187 R HN 0.271 nan 8.270 nan 0.000 0.434 188 A N 0.315 123.145 122.820 0.016 0.000 1.933 188 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 188 A C 2.280 179.835 177.584 -0.049 0.000 1.175 188 A CA 1.543 53.560 52.037 -0.033 0.000 0.628 188 A CB -0.513 18.430 19.000 -0.095 0.000 0.814 188 A HN 0.243 nan 8.150 nan 0.000 0.444 189 V N -1.160 118.727 119.914 -0.046 0.000 2.295 189 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 189 V C 2.387 178.500 176.094 0.032 0.000 1.049 189 V CA 2.241 64.531 62.300 -0.017 0.000 1.024 189 V CB -1.011 30.788 31.823 -0.039 0.000 0.648 189 V HN 0.762 nan 8.190 nan 0.000 0.447 190 Y N 1.428 121.715 120.300 -0.021 0.000 2.145 190 Y HA -0.205 4.345 4.550 -0.001 0.000 0.286 190 Y C 2.543 178.439 175.900 -0.007 0.000 1.145 190 Y CA 1.911 60.007 58.100 -0.007 0.000 1.148 190 Y CB -0.351 38.115 38.460 0.009 0.000 0.981 190 Y HN 0.276 nan 8.280 nan 0.000 0.507 191 E N -0.440 119.540 120.200 -0.367 0.000 2.153 191 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 191 E C 2.476 178.914 176.600 -0.270 0.000 0.988 191 E CA 1.310 57.462 56.400 -0.413 0.000 0.811 191 E CB -0.874 28.726 29.700 -0.167 0.000 0.746 191 E HN 0.550 nan 8.360 nan 0.000 0.466 192 C N 0.595 119.796 119.300 -0.165 0.000 2.462 192 C HA -0.054 4.405 4.460 -0.001 0.000 0.278 192 C C 2.874 177.788 174.990 -0.126 0.000 1.253 192 C CA 0.319 59.267 59.018 -0.116 0.000 1.713 192 C CB -1.113 26.584 27.740 -0.071 0.000 2.049 192 C HN 0.359 nan 8.230 nan 0.000 0.477 193 L N 1.329 122.482 121.223 -0.116 0.000 2.046 193 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 193 L C 2.857 179.657 176.870 -0.117 0.000 1.077 193 L CA 1.882 56.665 54.840 -0.096 0.000 0.747 193 L CB -0.791 41.241 42.059 -0.044 0.000 0.896 193 L HN 0.478 nan 8.230 nan 0.000 0.432 194 R N 0.611 120.997 120.500 -0.191 0.000 2.241 194 R HA -0.076 4.264 4.340 -0.001 0.000 0.224 194 R C 1.897 178.119 176.300 -0.130 0.000 1.101 194 R CA 1.285 57.284 56.100 -0.169 0.000 0.995 194 R CB -0.719 29.391 30.300 -0.316 0.000 0.870 194 R HN 0.273 nan 8.270 nan 0.000 0.463 195 G N -0.574 108.141 108.800 -0.142 0.000 2.813 195 G HA2 0.232 4.192 3.960 -0.001 0.000 0.209 195 G HA3 0.232 4.192 3.960 -0.001 0.000 0.209 195 G C 0.920 175.765 174.900 -0.091 0.000 1.150 195 G CA 0.285 45.318 45.100 -0.112 0.000 0.785 195 G HN 0.591 nan 8.290 nan 0.000 0.535 196 G N -0.878 107.869 108.800 -0.088 0.000 2.273 196 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.162 196 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.162 196 G C 0.287 175.133 174.900 -0.090 0.000 1.006 196 G CA -0.276 44.777 45.100 -0.078 0.000 0.704 196 G HN 0.329 nan 8.290 nan 0.000 0.487 197 L N 1.151 122.317 121.223 -0.095 0.000 2.436 197 L HA 0.389 4.729 4.340 -0.001 0.000 0.265 197 L C 1.036 177.812 176.870 -0.157 0.000 1.168 197 L CA -0.618 54.166 54.840 -0.093 0.000 0.815 197 L CB 0.577 42.600 42.059 -0.059 0.000 1.109 197 L HN -0.004 nan 8.230 nan 0.000 0.462 198 D N 0.909 121.158 120.400 -0.252 0.000 2.216 198 D HA 0.080 4.720 4.640 -0.001 0.000 0.208 198 D C -0.141 175.781 176.300 -0.629 0.000 0.960 198 D CA 1.360 55.038 54.000 -0.536 0.000 0.861 198 D CB 0.367 40.658 40.800 -0.850 0.000 0.985 198 D HN 0.144 nan 8.370 nan 0.000 0.493 199 F N 0.058 119.956 119.950 -0.087 0.000 2.603 199 F HA 0.360 4.886 4.527 -0.001 0.000 0.317 199 F C 0.624 176.236 175.800 -0.314 0.000 1.066 199 F CA -1.031 56.839 58.000 -0.216 0.000 0.941 199 F CB 1.686 40.501 39.000 -0.308 0.000 1.291 199 F HN -0.341 nan 8.300 nan 0.000 0.472 203 D N 0.501 121.002 120.400 0.168 0.000 2.368 203 D HA 0.035 4.674 4.640 -0.001 0.000 0.240 203 D C 1.635 177.910 176.300 -0.042 0.000 1.169 203 D CA -0.069 53.969 54.000 0.064 0.000 0.906 203 D CB 0.995 41.847 40.800 0.086 0.000 1.187 203 D HN 0.316 nan 8.370 nan 0.000 0.435 204 E N 2.224 122.265 120.200 -0.266 0.000 2.209 204 E HA -0.273 4.077 4.350 -0.001 0.000 0.196 204 E C 0.712 177.215 176.600 -0.162 0.000 0.993 204 E CA 1.082 57.248 56.400 -0.390 0.000 0.819 204 E CB -0.294 28.867 29.700 -0.898 0.000 0.745 204 E HN 0.413 nan 8.360 nan 0.000 0.477 205 N N 0.765 119.410 118.700 -0.092 0.000 2.409 205 N HA -0.008 4.732 4.740 -0.001 0.000 0.179 205 N C 0.137 175.655 175.510 0.013 0.000 1.032 205 N CA 0.424 53.456 53.050 -0.030 0.000 0.898 205 N CB 0.131 38.614 38.487 -0.007 0.000 0.971 205 N HN 0.009 nan 8.380 nan 0.000 0.441 206 V N 2.350 122.287 119.914 0.039 0.000 2.381 206 V HA 0.089 4.209 4.120 -0.001 0.000 0.257 206 V C 0.652 176.801 176.094 0.093 0.000 1.057 206 V CA 0.185 62.528 62.300 0.071 0.000 1.013 206 V CB -0.337 31.548 31.823 0.102 0.000 1.069 206 V HN 0.242 nan 8.190 nan 0.000 0.484 207 N N 2.515 121.265 118.700 0.084 0.000 3.048 207 N HA 0.220 4.959 4.740 -0.001 0.000 0.225 207 N C -0.036 175.555 175.510 0.134 0.000 1.103 207 N CA -0.178 52.930 53.050 0.096 0.000 1.182 207 N CB 0.584 39.097 38.487 0.043 0.000 1.553 207 N HN 0.503 nan 8.380 nan 0.000 0.584 208 S N 0.318 116.084 115.700 0.110 0.000 2.689 208 S HA 0.400 4.870 4.470 -0.001 0.000 0.274 208 S C -1.867 172.789 174.600 0.092 0.000 1.176 208 S CA -0.426 57.864 58.200 0.151 0.000 1.014 208 S CB 1.092 64.444 63.200 0.253 0.000 1.071 208 S HN 0.231 nan 8.310 nan 0.000 0.478 209 Q N 3.373 123.217 119.800 0.074 0.000 2.544 209 Q HA 0.527 4.867 4.340 -0.001 0.000 0.291 209 Q C -2.030 174.009 176.000 0.064 0.000 1.068 209 Q CA -1.841 54.001 55.803 0.066 0.000 0.785 209 Q CB 1.395 30.175 28.738 0.070 0.000 1.481 209 Q HN 0.268 nan 8.270 nan 0.000 0.430 210 P HA -0.224 nan 4.420 nan 0.000 0.217 210 P C 0.481 177.857 177.300 0.126 0.000 1.162 210 P CA 1.455 64.609 63.100 0.090 0.000 0.901 210 P CB 0.069 31.830 31.700 0.101 0.000 0.793 211 F N -1.669 118.283 119.950 0.003 0.000 2.780 211 F HA 0.243 4.770 4.527 -0.001 0.000 0.299 211 F C 1.076 176.872 175.800 -0.007 0.000 1.146 211 F CA 0.529 58.529 58.000 -0.000 0.000 1.428 211 F CB 0.071 39.074 39.000 0.005 0.000 1.115 211 F HN -0.172 nan 8.300 nan 0.000 0.583 212 M N 1.327 120.898 119.600 -0.049 0.000 2.210 212 M HA 0.285 4.765 4.480 -0.001 0.000 0.235 212 M C -1.176 175.093 176.300 -0.052 0.000 0.974 212 M CA -0.563 54.670 55.300 -0.111 0.000 1.043 212 M CB 0.462 33.007 32.600 -0.092 0.000 2.331 212 M HN -0.376 nan 8.290 nan 0.000 0.452 213 R N 3.209 123.656 120.500 -0.089 0.000 2.539 213 R HA 0.165 4.505 4.340 -0.001 0.000 0.275 213 R C 1.161 177.404 176.300 -0.096 0.000 1.077 213 R CA -0.112 55.936 56.100 -0.086 0.000 1.097 213 R CB 0.378 30.573 30.300 -0.175 0.000 1.018 213 R HN 0.912 nan 8.270 nan 0.000 0.483 214 W N 4.356 125.583 121.300 -0.121 0.000 2.335 214 W HA -0.213 4.447 4.660 -0.001 0.000 0.311 214 W C 1.207 177.568 176.519 -0.265 0.000 1.213 214 W CA 0.859 58.093 57.345 -0.185 0.000 1.274 214 W CB -0.569 28.705 29.460 -0.310 0.000 1.148 214 W HN 0.579 nan 8.180 nan 0.000 0.498 215 R N 1.002 120.651 120.500 -1.419 0.000 2.081 215 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 215 R C 1.936 178.008 176.300 -0.380 0.000 1.131 215 R CA 2.212 57.556 56.100 -1.261 0.000 0.960 215 R CB -0.425 28.884 30.300 -1.652 0.000 0.856 215 R HN 0.031 nan 8.270 nan 0.000 0.436 216 D N -0.283 119.948 120.400 -0.282 0.000 2.117 216 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 216 D C 1.871 178.284 176.300 0.189 0.000 0.987 216 D CA 1.019 55.000 54.000 -0.032 0.000 0.829 216 D CB -0.197 40.608 40.800 0.008 0.000 0.961 216 D HN 0.263 nan 8.370 nan 0.000 0.460 217 R N -0.263 120.341 120.500 0.174 0.000 2.073 217 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 217 R C 2.256 178.800 176.300 0.407 0.000 1.134 217 R CA 0.981 57.238 56.100 0.262 0.000 0.952 217 R CB -0.289 30.118 30.300 0.179 0.000 0.850 217 R HN 0.013 nan 8.270 nan 0.000 0.433 218 F N 1.121 121.187 119.950 0.192 0.000 2.095 218 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 218 F C 2.270 178.145 175.800 0.125 0.000 1.104 218 F CA 1.138 59.272 58.000 0.223 0.000 1.232 218 F CB -0.930 38.336 39.000 0.444 0.000 0.987 218 F HN 0.079 nan 8.300 nan 0.000 0.475 219 L N -1.463 119.967 121.223 0.345 0.000 2.017 219 L HA -0.260 4.079 4.340 -0.001 0.000 0.208 219 L C 2.368 179.220 176.870 -0.029 0.000 1.073 219 L CA 1.532 56.431 54.840 0.099 0.000 0.745 219 L CB -0.473 41.564 42.059 -0.036 0.000 0.894 219 L HN -0.016 nan 8.230 nan 0.000 0.432 220 F N -1.134 118.870 119.950 0.089 0.000 2.206 220 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 220 F C 2.611 178.423 175.800 0.020 0.000 1.090 220 F CA 1.129 59.160 58.000 0.051 0.000 1.323 220 F CB -0.997 38.033 39.000 0.051 0.000 1.028 220 F HN 0.177 nan 8.300 nan 0.000 0.492 221 C N -0.200 119.201 119.300 0.168 0.000 2.425 221 C HA -0.122 4.338 4.460 -0.001 0.000 0.277 221 C C 3.112 178.051 174.990 -0.085 0.000 1.280 221 C CA 1.007 59.997 59.018 -0.046 0.000 1.744 221 C CB -1.523 26.052 27.740 -0.275 0.000 1.989 221 C HN 0.510 nan 8.230 nan 0.000 0.491 222 A N 0.119 122.904 122.820 -0.059 0.000 1.877 222 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 222 A C 2.162 179.719 177.584 -0.045 0.000 1.186 222 A CA 1.853 53.806 52.037 -0.139 0.000 0.620 222 A CB -0.689 18.284 19.000 -0.044 0.000 0.822 222 A HN 0.700 nan 8.150 nan 0.000 0.443 223 E N -0.121 120.119 120.200 0.067 0.000 2.077 223 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 223 E C 2.173 178.821 176.600 0.080 0.000 0.989 223 E CA 1.076 57.543 56.400 0.112 0.000 0.800 223 E CB -0.241 29.520 29.700 0.102 0.000 0.746 223 E HN 0.534 nan 8.360 nan 0.000 0.452 224 A N 1.317 124.178 122.820 0.069 0.000 1.877 224 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 224 A C 2.234 179.877 177.584 0.097 0.000 1.186 224 A CA 1.745 53.837 52.037 0.091 0.000 0.620 224 A CB -0.823 18.250 19.000 0.121 0.000 0.822 224 A HN 0.402 nan 8.150 nan 0.000 0.443 225 L N -3.202 118.009 121.223 -0.021 0.000 2.141 225 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 225 L C 2.213 179.048 176.870 -0.058 0.000 1.094 225 L CA 1.840 56.638 54.840 -0.070 0.000 0.763 225 L CB -1.130 40.825 42.059 -0.174 0.000 0.908 225 L HN 0.264 nan 8.230 nan 0.000 0.437 226 Y N 0.667 120.994 120.300 0.045 0.000 2.314 226 Y HA -0.080 4.470 4.550 -0.001 0.000 0.293 226 Y C 2.756 178.676 175.900 0.033 0.000 1.129 226 Y CA 1.380 59.497 58.100 0.028 0.000 1.201 226 Y CB -0.555 37.909 38.460 0.007 0.000 0.999 226 Y HN 0.324 nan 8.280 nan 0.000 0.541 227 K N 0.148 120.650 120.400 0.170 0.000 2.057 227 K HA -0.123 4.197 4.320 -0.001 0.000 0.206 227 K C 2.273 178.988 176.600 0.191 0.000 1.050 227 K CA 1.105 57.445 56.287 0.088 0.000 0.935 227 K CB -0.208 32.220 32.500 -0.120 0.000 0.715 227 K HN 0.199 nan 8.250 nan 0.000 0.439 228 A N 1.200 124.192 122.820 0.287 0.000 1.902 228 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 228 A C 2.101 179.767 177.584 0.136 0.000 1.181 228 A CA 1.678 53.875 52.037 0.267 0.000 0.623 228 A CB -0.647 18.465 19.000 0.185 0.000 0.818 228 A HN 0.571 nan 8.150 nan 0.000 0.443 229 Q N -0.584 119.286 119.800 0.117 0.000 2.084 229 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 229 Q C 2.160 178.214 176.000 0.090 0.000 0.978 229 Q CA 1.568 57.426 55.803 0.091 0.000 0.844 229 Q CB -0.338 28.472 28.738 0.120 0.000 0.898 229 Q HN 0.603 nan 8.270 nan 0.000 0.426 230 A N 0.728 123.613 122.820 0.108 0.000 1.898 230 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 230 A C 1.896 179.522 177.584 0.070 0.000 1.181 230 A CA 1.606 53.690 52.037 0.078 0.000 0.620 230 A CB -0.648 18.394 19.000 0.070 0.000 0.819 230 A HN 0.622 nan 8.150 nan 0.000 0.442 231 E N -0.408 119.848 120.200 0.094 0.000 2.031 231 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 231 E C 2.113 178.749 176.600 0.060 0.000 0.994 231 E CA 1.991 58.445 56.400 0.090 0.000 0.800 231 E CB -0.138 29.651 29.700 0.148 0.000 0.752 231 E HN 0.716 nan 8.360 nan 0.000 0.447 232 T N -3.659 110.925 114.554 0.051 0.000 3.035 232 T HA 0.194 4.544 4.350 -0.001 0.000 0.259 232 T C 1.571 176.283 174.700 0.020 0.000 1.078 232 T CA 0.912 63.028 62.100 0.026 0.000 1.132 232 T CB 0.349 69.221 68.868 0.008 0.000 0.900 232 T HN 0.399 nan 8.240 nan 0.000 0.480 233 G N 0.991 109.807 108.800 0.027 0.000 2.176 233 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.253 233 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.253 233 G C -0.220 174.688 174.900 0.013 0.000 0.979 233 G CA 0.143 45.257 45.100 0.022 0.000 0.641 233 G HN 0.669 nan 8.290 nan 0.000 0.530 234 E N -0.171 120.031 120.200 0.003 0.000 2.191 234 E HA 0.575 4.924 4.350 -0.001 0.000 0.274 234 E C 0.457 177.044 176.600 -0.022 0.000 0.948 234 E CA -0.983 55.406 56.400 -0.018 0.000 0.802 234 E CB 1.633 31.309 29.700 -0.041 0.000 1.137 234 E HN 0.326 nan 8.360 nan 0.000 0.397 235 I N 3.227 123.778 120.570 -0.032 0.000 2.710 235 I HA -0.016 4.153 4.170 -0.001 0.000 0.286 235 I C 0.398 176.470 176.117 -0.075 0.000 1.181 235 I CA 0.502 61.786 61.300 -0.026 0.000 1.430 235 I CB 0.095 38.083 38.000 -0.020 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.434 124.809 120.400 -0.042 0.000 2.395 236 K HA 0.788 5.107 4.320 -0.001 0.000 0.247 236 K C -0.313 176.289 176.600 0.004 0.000 0.973 236 K CA -0.730 55.516 56.287 -0.069 0.000 0.828 236 K CB 2.254 34.729 32.500 -0.042 0.000 1.272 236 K HN 0.783 nan 8.250 nan 0.000 0.439 237 G N 0.164 109.018 108.800 0.091 0.000 2.690 237 G HA2 0.404 4.363 3.960 -0.001 0.000 0.291 237 G HA3 0.404 4.363 3.960 -0.001 0.000 0.291 237 G C -1.876 173.168 174.900 0.240 0.000 1.403 237 G CA -0.277 44.969 45.100 0.243 0.000 0.864 237 G HN 0.548 nan 8.290 nan 0.000 0.480 238 H N 0.597 119.692 119.070 0.042 0.000 2.840 238 H HA 0.303 4.858 4.556 -0.001 0.000 0.340 238 H C -1.067 174.249 175.328 -0.019 0.000 1.004 238 H CA -0.558 55.447 56.048 -0.073 0.000 1.288 238 H CB 1.328 31.048 29.762 -0.070 0.000 1.607 238 H HN 0.368 nan 8.280 nan 0.000 0.522 239 Y N 5.680 125.720 120.300 -0.433 0.000 2.730 239 Y HA 0.084 4.634 4.550 -0.001 0.000 0.357 239 Y C 0.631 176.410 175.900 -0.201 0.000 1.167 239 Y CA -0.518 57.389 58.100 -0.322 0.000 1.579 239 Y CB -0.608 37.602 38.460 -0.417 0.000 1.262 239 Y HN 0.347 nan 8.280 nan 0.000 0.510 240 L N 3.924 125.167 121.223 0.033 0.000 2.325 240 L HA 0.161 4.501 4.340 -0.001 0.000 0.284 240 L C 0.707 177.601 176.870 0.039 0.000 1.089 240 L CA 0.012 54.789 54.840 -0.105 0.000 0.836 240 L CB 0.205 41.827 42.059 -0.728 0.000 1.184 240 L HN 0.603 nan 8.230 nan 0.000 0.444 241 N N 2.271 121.090 118.700 0.198 0.000 2.438 241 N HA 0.142 4.882 4.740 -0.001 0.000 0.267 241 N C 0.658 176.352 175.510 0.306 0.000 1.222 241 N CA -0.050 53.139 53.050 0.232 0.000 0.930 241 N CB 0.903 39.510 38.487 0.201 0.000 1.083 241 N HN 0.774 nan 8.380 nan 0.000 0.476 242 A N 2.870 125.826 122.820 0.227 0.000 2.348 242 A HA 0.094 4.413 4.320 -0.001 0.000 0.224 242 A C 0.634 178.263 177.584 0.075 0.000 1.227 242 A CA -0.151 51.972 52.037 0.142 0.000 0.885 242 A CB 0.102 19.154 19.000 0.086 0.000 0.933 242 A HN 0.592 nan 8.150 nan 0.000 0.506 243 T N 1.795 116.449 114.554 0.166 0.000 2.905 243 T HA 0.433 4.783 4.350 -0.001 0.000 0.299 243 T C 0.267 174.989 174.700 0.035 0.000 1.024 243 T CA 0.988 63.190 62.100 0.170 0.000 1.151 243 T CB 0.669 69.581 68.868 0.073 0.000 0.987 243 T HN 0.766 nan 8.240 nan 0.000 0.535 244 A N 2.299 125.130 122.820 0.018 0.000 2.568 244 A HA 0.805 5.125 4.320 -0.001 0.000 0.291 244 A C 1.300 178.868 177.584 -0.026 0.000 1.159 244 A CA -0.278 51.731 52.037 -0.047 0.000 0.679 244 A CB 0.555 19.476 19.000 -0.132 0.000 1.285 244 A HN 0.761 nan 8.150 nan 0.000 0.428 245 G N -0.808 107.969 108.800 -0.038 0.000 2.448 245 G HA2 0.336 4.295 3.960 -0.001 0.000 0.218 245 G HA3 0.336 4.295 3.960 -0.001 0.000 0.218 245 G C 0.722 175.609 174.900 -0.023 0.000 1.135 245 G CA 1.874 46.959 45.100 -0.024 0.000 0.784 245 G HN 1.617 nan 8.290 nan 0.000 0.543 246 T N -4.306 110.225 114.554 -0.038 0.000 2.887 246 T HA 0.310 4.659 4.350 -0.001 0.000 0.292 246 T C 0.958 175.626 174.700 -0.053 0.000 1.087 246 T CA -0.166 61.912 62.100 -0.035 0.000 1.009 246 T CB 1.394 70.241 68.868 -0.034 0.000 1.203 246 T HN -0.075 nan 8.240 nan 0.000 0.518 247 C N 0.527 119.799 119.300 -0.047 0.000 2.425 247 C HA 0.001 4.460 4.460 -0.001 0.000 0.277 247 C C 2.656 177.593 174.990 -0.089 0.000 1.280 247 C CA 0.882 59.861 59.018 -0.065 0.000 1.744 247 C CB -1.371 26.342 27.740 -0.045 0.000 1.989 247 C HN 1.018 nan 8.230 nan 0.000 0.491 248 E N 1.383 121.539 120.200 -0.072 0.000 2.058 248 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 248 E C 1.685 178.215 176.600 -0.116 0.000 0.997 248 E CA 1.485 57.839 56.400 -0.078 0.000 0.801 248 E CB -0.340 29.330 29.700 -0.050 0.000 0.746 248 E HN 0.542 nan 8.360 nan 0.000 0.450 249 D N -0.202 120.124 120.400 -0.124 0.000 2.117 249 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 249 D C 1.853 177.983 176.300 -0.284 0.000 0.982 249 D CA 0.826 54.711 54.000 -0.191 0.000 0.828 249 D CB -0.224 40.478 40.800 -0.164 0.000 0.967 249 D HN 0.166 nan 8.370 nan 0.000 0.464 250 M N -0.344 119.126 119.600 -0.217 0.000 2.117 250 M HA -0.174 4.306 4.480 -0.001 0.000 0.262 250 M C 1.691 177.832 176.300 -0.265 0.000 1.065 250 M CA 1.235 56.399 55.300 -0.227 0.000 1.114 250 M CB 0.052 32.549 32.600 -0.172 0.000 1.361 250 M HN -0.096 nan 8.290 nan 0.000 0.408 251 M N 0.324 119.776 119.600 -0.247 0.000 2.175 251 M HA -0.157 4.323 4.480 -0.001 0.000 0.264 251 M C 1.907 178.045 176.300 -0.270 0.000 1.063 251 M CA 1.677 56.797 55.300 -0.299 0.000 1.119 251 M CB -1.154 31.302 32.600 -0.239 0.000 1.377 251 M HN 0.282 nan 8.290 nan 0.000 0.415 252 K N -0.225 120.040 120.400 -0.226 0.000 2.103 252 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 252 K C 2.134 178.599 176.600 -0.226 0.000 1.048 252 K CA 1.280 57.469 56.287 -0.164 0.000 0.930 252 K CB -0.061 32.352 32.500 -0.144 0.000 0.716 252 K HN 0.326 nan 8.250 nan 0.000 0.444 253 R N 0.067 120.252 120.500 -0.525 0.000 2.073 253 R HA -0.028 4.312 4.340 -0.001 0.000 0.229 253 R C 2.373 178.736 176.300 0.105 0.000 1.120 253 R CA 1.128 56.883 56.100 -0.575 0.000 0.967 253 R CB -0.286 29.532 30.300 -0.802 0.000 0.862 253 R HN 0.152 nan 8.270 nan 0.000 0.436 254 A N 0.807 123.610 122.820 -0.029 0.000 1.902 254 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 254 A C 2.340 179.995 177.584 0.120 0.000 1.181 254 A CA 1.283 53.332 52.037 0.019 0.000 0.623 254 A CB -0.514 18.326 19.000 -0.266 0.000 0.818 254 A HN 0.108 nan 8.150 nan 0.000 0.443 255 V N -1.264 118.669 119.914 0.033 0.000 2.343 255 V HA -0.222 3.898 4.120 -0.001 0.000 0.247 255 V C 2.266 178.571 176.094 0.351 0.000 1.051 255 V CA 2.073 64.494 62.300 0.201 0.000 1.036 255 V CB -0.872 31.026 31.823 0.125 0.000 0.654 255 V HN 0.622 nan 8.190 nan 0.000 0.451 256 F N 1.437 121.541 119.950 0.257 0.000 2.186 256 F HA -0.041 4.485 4.527 -0.000 0.000 0.299 256 F C 2.245 178.264 175.800 0.365 0.000 1.090 256 F CA 0.897 59.098 58.000 0.335 0.000 1.307 256 F CB -0.695 38.592 39.000 0.477 0.000 1.019 256 F HN 0.086 nan 8.300 nan 0.000 0.489 257 A N 0.611 123.644 122.820 0.355 0.000 1.902 257 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 257 A C 2.467 180.101 177.584 0.083 0.000 1.181 257 A CA 1.446 53.569 52.037 0.144 0.000 0.623 257 A CB -0.723 18.374 19.000 0.162 0.000 0.818 257 A HN 0.286 nan 8.150 nan 0.000 0.443 258 R N -0.052 120.553 120.500 0.175 0.000 2.073 258 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 258 R C 2.124 178.484 176.300 0.099 0.000 1.134 258 R CA 1.914 58.108 56.100 0.158 0.000 0.952 258 R CB -0.613 29.837 30.300 0.249 0.000 0.850 258 R HN 0.784 nan 8.270 nan 0.000 0.433 259 E N 0.284 120.547 120.200 0.105 0.000 2.118 259 E HA -0.172 4.177 4.350 -0.001 0.000 0.195 259 E C 1.979 178.568 176.600 -0.019 0.000 0.992 259 E CA 1.044 57.488 56.400 0.072 0.000 0.804 259 E CB -0.061 29.741 29.700 0.170 0.000 0.741 259 E HN 0.319 nan 8.360 nan 0.000 0.458 260 L N -0.576 120.565 121.223 -0.137 0.000 2.465 260 L HA 0.047 4.386 4.340 -0.001 0.000 0.224 260 L C 1.588 178.499 176.870 0.069 0.000 1.145 260 L CA 0.554 55.334 54.840 -0.100 0.000 0.834 260 L CB -0.110 41.813 42.059 -0.228 0.000 0.944 260 L HN 0.420 nan 8.230 nan 0.000 0.451 261 G N 0.521 109.359 108.800 0.062 0.000 2.153 261 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 261 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 261 G C 0.392 175.376 174.900 0.140 0.000 0.994 261 G CA 0.292 45.454 45.100 0.105 0.000 0.698 261 G HN 0.278 nan 8.290 nan 0.000 0.521 262 V N -2.143 117.817 119.914 0.076 0.000 3.003 262 V HA 0.706 4.826 4.120 -0.001 0.000 0.305 262 V C 0.053 176.164 176.094 0.028 0.000 1.078 262 V CA -0.820 61.491 62.300 0.017 0.000 1.083 262 V CB 1.242 33.016 31.823 -0.081 0.000 1.039 262 V HN 0.085 nan 8.190 nan 0.000 0.481 263 P HA 0.270 nan 4.420 nan 0.000 0.235 263 P C 0.100 177.407 177.300 0.013 0.000 1.177 263 P CA 0.688 63.805 63.100 0.028 0.000 0.785 263 P CB 0.608 32.344 31.700 0.060 0.000 0.885 264 I N 0.078 120.662 120.570 0.023 0.000 2.752 264 I HA 0.322 4.491 4.170 -0.001 0.000 0.295 264 I C -1.138 174.978 176.117 -0.002 0.000 1.219 264 I CA -1.290 60.005 61.300 -0.010 0.000 1.030 264 I CB 2.548 40.526 38.000 -0.036 0.000 1.259 264 I HN -0.288 nan 8.210 nan 0.000 0.423 265 V N 4.181 124.087 119.914 -0.013 0.000 3.158 265 V HA 0.724 4.844 4.120 -0.001 0.000 0.315 265 V C -0.718 175.388 176.094 0.019 0.000 1.148 265 V CA -0.775 61.533 62.300 0.014 0.000 1.042 265 V CB 1.906 33.763 31.823 0.056 0.000 1.101 265 V HN 0.912 nan 8.190 nan 0.000 0.448 266 M N 1.639 121.289 119.600 0.083 0.000 2.572 266 M HA 0.743 5.222 4.480 -0.001 0.000 0.299 266 M C -1.866 174.556 176.300 0.203 0.000 1.205 266 M CA -0.408 54.972 55.300 0.135 0.000 0.876 266 M CB 2.245 34.953 32.600 0.180 0.000 1.728 266 M HN 1.152 nan 8.290 nan 0.000 0.458 267 H N 0.975 120.084 119.070 0.065 0.000 2.954 267 H HA 0.428 4.983 4.556 -0.001 0.000 0.361 267 H C -1.928 173.454 175.328 0.089 0.000 1.122 267 H CA -0.533 55.547 56.048 0.054 0.000 1.217 267 H CB 1.647 31.425 29.762 0.028 0.000 1.776 267 H HN 0.666 nan 8.280 nan 0.000 0.533 268 D N 4.921 125.081 120.400 -0.399 0.000 2.468 268 D HA 0.003 4.643 4.640 -0.001 0.000 0.218 268 D C 0.817 176.821 176.300 -0.494 0.000 1.155 268 D CA -0.196 53.653 54.000 -0.253 0.000 0.924 268 D CB -0.130 40.555 40.800 -0.191 0.000 1.029 268 D HN 0.605 nan 8.370 nan 0.000 0.515 269 Y N 1.169 121.188 120.300 -0.467 0.000 2.333 269 Y HA -0.120 4.430 4.550 -0.000 0.000 0.290 269 Y C 1.260 176.899 175.900 -0.435 0.000 1.144 269 Y CA 1.016 58.866 58.100 -0.418 0.000 1.228 269 Y CB -0.489 37.840 38.460 -0.218 0.000 0.985 269 Y HN 0.252 nan 8.280 nan 0.000 0.542 270 L N 0.286 121.079 121.223 -0.718 0.000 2.162 270 L HA -0.047 4.293 4.340 -0.001 0.000 0.205 270 L C 2.583 179.236 176.870 -0.361 0.000 1.086 270 L CA 1.478 55.911 54.840 -0.678 0.000 0.778 270 L CB -0.812 40.894 42.059 -0.588 0.000 0.928 270 L HN 0.408 nan 8.230 nan 0.000 0.446 271 T N -3.362 111.032 114.554 -0.267 0.000 2.978 271 T HA -0.003 4.347 4.350 -0.001 0.000 0.262 271 T C 1.902 176.514 174.700 -0.146 0.000 1.063 271 T CA 0.813 62.810 62.100 -0.172 0.000 1.140 271 T CB -0.497 68.293 68.868 -0.130 0.000 0.886 271 T HN 0.311 nan 8.240 nan 0.000 0.470 272 G N 1.450 110.132 108.800 -0.195 0.000 2.394 272 G HA2 0.422 4.382 3.960 -0.001 0.000 0.215 272 G HA3 0.422 4.382 3.960 -0.001 0.000 0.215 272 G C 0.858 175.750 174.900 -0.013 0.000 1.165 272 G CA 0.258 45.322 45.100 -0.059 0.000 0.784 272 G HN 1.236 nan 8.290 nan 0.000 0.535 273 G N -2.065 106.671 108.800 -0.106 0.000 2.539 273 G HA2 0.003 3.963 3.960 -0.001 0.000 0.686 273 G HA3 0.003 3.963 3.960 -0.001 0.000 0.686 273 G C 0.082 174.947 174.900 -0.059 0.000 1.258 273 G CA -0.189 44.850 45.100 -0.102 0.000 0.846 273 G HN 0.069 nan 8.290 nan 0.000 0.647 274 F N 0.571 120.590 119.950 0.115 0.000 2.234 274 F HA 0.020 4.547 4.527 -0.001 0.000 0.299 274 F C 3.089 178.939 175.800 0.084 0.000 1.087 274 F CA 2.242 60.318 58.000 0.128 0.000 1.340 274 F CB -0.463 38.605 39.000 0.113 0.000 1.031 274 F HN 0.546 nan 8.300 nan 0.000 0.500 275 T N -0.261 114.431 114.554 0.230 0.000 2.708 275 T HA -0.178 4.172 4.350 -0.001 0.000 0.266 275 T C 2.312 177.051 174.700 0.065 0.000 1.037 275 T CA 1.418 63.593 62.100 0.125 0.000 1.146 275 T CB -0.636 68.290 68.868 0.096 0.000 0.865 275 T HN 0.275 nan 8.240 nan 0.000 0.435 276 A N 1.893 124.752 122.820 0.065 0.000 1.930 276 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 276 A C 2.258 179.807 177.584 -0.059 0.000 1.175 276 A CA 1.462 53.500 52.037 0.002 0.000 0.627 276 A CB -0.772 18.250 19.000 0.036 0.000 0.815 276 A HN 0.539 nan 8.150 nan 0.000 0.443 277 N N -0.319 118.425 118.700 0.073 0.000 2.069 277 N HA -0.157 4.583 4.740 -0.001 0.000 0.191 277 N C 1.600 177.102 175.510 -0.014 0.000 1.031 277 N CA 2.103 55.195 53.050 0.069 0.000 0.852 277 N CB -0.173 38.479 38.487 0.275 0.000 1.018 277 N HN 0.427 nan 8.380 nan 0.000 0.423 278 T N -0.151 114.399 114.554 -0.007 0.000 2.746 278 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 278 T C 1.860 176.335 174.700 -0.375 0.000 1.039 278 T CA 1.613 63.602 62.100 -0.184 0.000 1.142 278 T CB -0.597 68.192 68.868 -0.131 0.000 0.866 278 T HN 0.312 nan 8.240 nan 0.000 0.444 279 T N 2.235 116.668 114.554 -0.201 0.000 2.684 279 T HA -0.052 4.298 4.350 -0.001 0.000 0.267 279 T C 1.885 176.546 174.700 -0.066 0.000 1.036 279 T CA 0.942 62.966 62.100 -0.125 0.000 1.148 279 T CB -0.480 68.345 68.868 -0.072 0.000 0.863 279 T HN 0.108 nan 8.240 nan 0.000 0.436 280 L N 1.103 122.258 121.223 -0.113 0.000 2.046 280 L HA -0.014 4.325 4.340 -0.001 0.000 0.208 280 L C 2.638 179.527 176.870 0.031 0.000 1.077 280 L CA 1.893 56.687 54.840 -0.077 0.000 0.747 280 L CB -1.051 40.861 42.059 -0.244 0.000 0.896 280 L HN 0.215 nan 8.230 nan 0.000 0.432 281 S N -1.575 114.116 115.700 -0.015 0.000 2.370 281 S HA -0.247 4.223 4.470 -0.001 0.000 0.226 281 S C 2.081 176.776 174.600 0.159 0.000 1.033 281 S CA 1.372 59.598 58.200 0.043 0.000 1.011 281 S CB -0.422 62.787 63.200 0.015 0.000 0.852 281 S HN 0.670 nan 8.310 nan 0.000 0.457 282 H N -0.727 118.369 119.070 0.043 0.000 2.357 282 H HA 0.011 4.566 4.556 -0.001 0.000 0.301 282 H C 1.779 177.133 175.328 0.044 0.000 1.082 282 H CA 1.538 57.604 56.048 0.030 0.000 1.342 282 H CB -1.088 28.695 29.762 0.035 0.000 1.389 282 H HN 0.653 nan 8.280 nan 0.000 0.511 283 Y N 0.579 120.944 120.300 0.108 0.000 2.181 283 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 283 Y C 2.485 178.419 175.900 0.056 0.000 1.146 283 Y CA 1.313 59.450 58.100 0.062 0.000 1.164 283 Y CB -0.577 37.903 38.460 0.034 0.000 0.982 283 Y HN 0.136 nan 8.280 nan 0.000 0.515 284 C N 0.283 119.684 119.300 0.168 0.000 2.425 284 C HA -0.152 4.308 4.460 -0.001 0.000 0.277 284 C C 2.753 177.757 174.990 0.023 0.000 1.280 284 C CA 1.470 60.554 59.018 0.109 0.000 1.744 284 C CB -1.223 26.604 27.740 0.145 0.000 1.989 284 C HN 0.585 nan 8.230 nan 0.000 0.491 285 R N 1.852 122.322 120.500 -0.049 0.000 2.073 285 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 285 R C 1.519 177.755 176.300 -0.106 0.000 1.134 285 R CA 2.015 58.023 56.100 -0.153 0.000 0.952 285 R CB -0.951 29.268 30.300 -0.134 0.000 0.850 285 R HN 0.420 nan 8.270 nan 0.000 0.433 286 D N -0.173 120.152 120.400 -0.124 0.000 2.310 286 D HA -0.067 4.573 4.640 -0.001 0.000 0.212 286 D C 0.418 176.604 176.300 -0.189 0.000 0.965 286 D CA 0.870 54.782 54.000 -0.148 0.000 0.879 286 D CB -0.021 40.684 40.800 -0.158 0.000 0.921 286 D HN 0.361 nan 8.370 nan 0.000 0.510 287 N N -0.718 117.837 118.700 -0.241 0.000 2.177 287 N HA 0.116 4.856 4.740 -0.001 0.000 0.218 287 N C 0.906 176.389 175.510 -0.045 0.000 1.182 287 N CA 0.360 53.282 53.050 -0.213 0.000 0.882 287 N CB 1.816 40.021 38.487 -0.471 0.000 1.052 287 N HN 0.073 nan 8.380 nan 0.000 0.519 288 G N 1.579 110.416 108.800 0.063 0.000 2.179 288 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.257 288 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.257 288 G C -0.104 174.829 174.900 0.055 0.000 1.010 288 G CA 0.137 45.322 45.100 0.142 0.000 0.736 288 G HN 0.252 nan 8.290 nan 0.000 0.513 289 L N 0.034 121.347 121.223 0.150 0.000 2.307 289 L HA 0.564 4.904 4.340 -0.001 0.000 0.282 289 L C 1.120 178.054 176.870 0.106 0.000 1.051 289 L CA -0.983 53.907 54.840 0.084 0.000 0.804 289 L CB 1.216 43.349 42.059 0.125 0.000 1.197 289 L HN 0.062 nan 8.230 nan 0.000 0.431 290 L N 3.551 124.742 121.223 -0.053 0.000 2.436 290 L HA 0.309 4.649 4.340 -0.001 0.000 0.265 290 L C -0.473 176.353 176.870 -0.074 0.000 1.168 290 L CA -0.397 54.406 54.840 -0.061 0.000 0.815 290 L CB 1.155 43.105 42.059 -0.181 0.000 1.109 290 L HN 0.382 nan 8.230 nan 0.000 0.462 291 L N 2.119 123.273 121.223 -0.115 0.000 2.372 291 L HA 0.360 4.700 4.340 -0.001 0.000 0.274 291 L C -0.704 176.007 176.870 -0.265 0.000 0.988 291 L CA -0.234 54.530 54.840 -0.128 0.000 0.833 291 L CB 1.218 43.255 42.059 -0.037 0.000 1.236 291 L HN 0.464 nan 8.230 nan 0.000 0.410 292 H N 5.464 124.281 119.070 -0.422 0.000 2.517 292 H HA 0.603 5.159 4.556 -0.001 0.000 0.317 292 H C -0.937 174.274 175.328 -0.195 0.000 1.080 292 H CA -0.546 55.205 56.048 -0.494 0.000 1.301 292 H CB 0.804 30.015 29.762 -0.919 0.000 1.425 292 H HN 0.507 nan 8.280 nan 0.000 0.471 293 I N 5.649 125.901 120.570 -0.531 0.000 2.354 293 I HA 0.132 4.301 4.170 -0.001 0.000 0.292 293 I C 0.052 176.012 176.117 -0.262 0.000 0.989 293 I CA -0.441 60.677 61.300 -0.302 0.000 1.188 293 I CB 1.009 38.800 38.000 -0.350 0.000 1.342 293 I HN 0.722 nan 8.210 nan 0.000 0.457 294 H N 7.334 126.329 119.070 -0.126 0.000 2.458 294 H HA 0.335 4.890 4.556 -0.001 0.000 0.330 294 H C 0.241 175.568 175.328 -0.001 0.000 1.111 294 H CA -0.514 55.445 56.048 -0.149 0.000 1.245 294 H CB 1.534 31.217 29.762 -0.131 0.000 1.456 294 H HN 0.576 nan 8.280 nan 0.000 0.488 295 R N 3.057 123.446 120.500 -0.184 0.000 2.721 295 R HA 0.432 4.771 4.340 -0.001 0.000 0.296 295 R C 0.039 176.413 176.300 0.124 0.000 1.174 295 R CA -0.518 55.625 56.100 0.072 0.000 1.129 295 R CB -0.065 30.196 30.300 -0.065 0.000 1.316 295 R HN 0.342 nan 8.270 nan 0.000 0.571 296 A N 1.559 124.544 122.820 0.275 0.000 2.565 296 A HA 0.097 4.416 4.320 -0.001 0.000 0.237 296 A C 0.962 178.581 177.584 0.059 0.000 1.053 296 A CA 0.741 52.902 52.037 0.206 0.000 0.755 296 A CB -0.091 18.982 19.000 0.122 0.000 0.980 296 A HN 0.884 nan 8.150 nan 0.000 0.506 297 M N 0.625 120.239 119.600 0.023 0.000 3.007 297 M HA -0.303 4.176 4.480 -0.001 0.000 0.210 297 M C 0.979 177.238 176.300 -0.069 0.000 0.585 297 M CA 1.949 57.217 55.300 -0.053 0.000 0.804 297 M CB -2.156 30.399 32.600 -0.076 0.000 2.870 297 M HN 1.270 nan 8.290 nan 0.000 0.297 298 H N -0.504 118.519 119.070 -0.078 0.000 2.353 298 H HA 0.159 4.715 4.556 -0.001 0.000 0.298 298 H C 1.764 177.058 175.328 -0.056 0.000 1.103 298 H CA 2.163 58.176 56.048 -0.058 0.000 1.293 298 H CB -0.671 29.070 29.762 -0.035 0.000 1.372 298 H HN 0.516 nan 8.280 nan 0.000 0.501 299 A N 1.119 123.463 122.820 -0.793 0.000 2.125 299 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 299 A C 2.469 179.923 177.584 -0.216 0.000 1.156 299 A CA 1.218 52.953 52.037 -0.503 0.000 0.671 299 A CB -0.747 17.939 19.000 -0.523 0.000 0.794 299 A HN 0.380 nan 8.150 nan 0.000 0.459 300 V N -0.495 119.317 119.914 -0.170 0.000 2.515 300 V HA -0.193 3.927 4.120 -0.001 0.000 0.250 300 V C 2.145 178.201 176.094 -0.063 0.000 1.058 300 V CA 1.950 64.192 62.300 -0.096 0.000 1.064 300 V CB -0.447 31.326 31.823 -0.083 0.000 0.675 300 V HN 0.615 nan 8.190 nan 0.000 0.461 301 I N 0.399 120.929 120.570 -0.066 0.000 3.300 301 I HA 0.024 4.193 4.170 -0.001 0.000 0.279 301 I C 1.620 177.728 176.117 -0.016 0.000 1.172 301 I CA 0.813 62.087 61.300 -0.044 0.000 1.431 301 I CB -0.015 37.943 38.000 -0.071 0.000 1.240 301 I HN 0.421 nan 8.210 nan 0.000 0.453 302 D N 0.243 120.636 120.400 -0.011 0.000 2.363 302 D HA -0.043 4.596 4.640 -0.001 0.000 0.214 302 D C 1.758 178.052 176.300 -0.010 0.000 1.093 302 D CA -0.006 53.995 54.000 0.003 0.000 0.837 302 D CB -0.073 40.754 40.800 0.045 0.000 0.948 302 D HN 0.104 nan 8.370 nan 0.000 0.507 303 R N -0.190 120.300 120.500 -0.017 0.000 2.057 303 R HA 0.028 4.367 4.340 -0.001 0.000 0.224 303 R C 0.263 176.585 176.300 0.037 0.000 1.136 303 R CA 0.589 56.685 56.100 -0.007 0.000 0.968 303 R CB 0.138 30.413 30.300 -0.042 0.000 0.863 303 R HN 0.067 nan 8.270 nan 0.000 0.433 304 Q N 1.393 121.224 119.800 0.053 0.000 2.304 304 Q HA -0.026 4.313 4.340 -0.001 0.000 0.260 304 Q C 0.231 176.295 176.000 0.106 0.000 0.965 304 Q CA 0.211 56.060 55.803 0.076 0.000 0.898 304 Q CB 1.520 30.307 28.738 0.083 0.000 1.196 304 Q HN 0.187 nan 8.270 nan 0.000 0.402 305 K N 3.400 123.862 120.400 0.103 0.000 2.209 305 K HA -0.156 4.164 4.320 -0.001 0.000 0.204 305 K C 0.912 177.581 176.600 0.116 0.000 1.048 305 K CA 1.369 57.727 56.287 0.118 0.000 0.940 305 K CB 0.293 32.854 32.500 0.101 0.000 0.729 305 K HN 0.625 nan 8.250 nan 0.000 0.451 306 N N -0.665 118.106 118.700 0.118 0.000 2.395 306 N HA -0.121 4.619 4.740 -0.001 0.000 0.175 306 N C -0.052 175.576 175.510 0.196 0.000 1.029 306 N CA 0.635 53.762 53.050 0.129 0.000 0.897 306 N CB -0.067 38.486 38.487 0.111 0.000 0.991 306 N HN 0.227 nan 8.380 nan 0.000 0.441 307 H N -1.285 117.849 119.070 0.108 0.000 2.954 307 H HA 0.568 5.124 4.556 -0.001 0.000 0.361 307 H C 0.097 175.530 175.328 0.174 0.000 1.122 307 H CA 0.375 56.520 56.048 0.162 0.000 1.217 307 H CB 1.622 31.465 29.762 0.134 0.000 1.776 307 H HN 0.367 nan 8.280 nan 0.000 0.533 308 G N 2.405 111.247 108.800 0.069 0.000 2.255 308 G HA2 -0.008 3.952 3.960 -0.001 0.000 0.216 308 G HA3 -0.008 3.952 3.960 -0.001 0.000 0.216 308 G C -1.489 173.450 174.900 0.064 0.000 1.307 308 G CA -0.389 44.749 45.100 0.063 0.000 1.162 308 G HN 0.638 nan 8.290 nan 0.000 0.494 309 M N 0.805 120.403 119.600 -0.003 0.000 2.326 309 M HA 0.375 4.855 4.480 -0.001 0.000 0.292 309 M C -0.325 176.001 176.300 0.044 0.000 1.081 309 M CA -0.811 54.483 55.300 -0.009 0.000 0.919 309 M CB 2.363 34.868 32.600 -0.158 0.000 1.634 309 M HN 0.757 nan 8.290 nan 0.000 0.451 310 H N 1.982 121.059 119.070 0.012 0.000 2.790 310 H HA 0.056 4.612 4.556 -0.001 0.000 0.358 310 H C 0.206 175.568 175.328 0.056 0.000 1.103 310 H CA 0.739 56.825 56.048 0.063 0.000 1.426 310 H CB 0.859 30.660 29.762 0.065 0.000 1.424 310 H HN 0.784 nan 8.280 nan 0.000 0.599 311 F N 5.061 124.718 119.950 -0.489 0.000 2.192 311 F HA -0.233 4.294 4.527 -0.001 0.000 0.301 311 F C 2.612 178.312 175.800 -0.167 0.000 1.079 311 F CA 1.826 59.637 58.000 -0.315 0.000 1.303 311 F CB -0.142 38.551 39.000 -0.510 0.000 1.024 311 F HN 0.689 nan 8.300 nan 0.000 0.494 312 R N -0.337 120.145 120.500 -0.030 0.000 2.127 312 R HA -0.123 4.216 4.340 -0.001 0.000 0.238 312 R C 1.788 178.030 176.300 -0.097 0.000 1.134 312 R CA 1.885 57.940 56.100 -0.076 0.000 0.975 312 R CB -1.389 29.067 30.300 0.261 0.000 0.865 312 R HN 0.301 nan 8.270 nan 0.000 0.447 313 V N 1.817 121.717 119.914 -0.023 0.000 2.379 313 V HA -0.154 3.966 4.120 -0.001 0.000 0.245 313 V C 2.428 178.554 176.094 0.053 0.000 1.044 313 V CA 1.481 63.803 62.300 0.036 0.000 1.036 313 V CB -0.341 31.506 31.823 0.041 0.000 0.664 313 V HN 0.291 nan 8.190 nan 0.000 0.453 314 L N 0.034 121.210 121.223 -0.079 0.000 2.201 314 L HA -0.092 4.247 4.340 -0.001 0.000 0.212 314 L C 2.641 179.454 176.870 -0.096 0.000 1.105 314 L CA 1.281 56.148 54.840 0.045 0.000 0.775 314 L CB -0.744 41.331 42.059 0.027 0.000 0.913 314 L HN 0.357 nan 8.230 nan 0.000 0.440 315 A N 0.175 122.661 122.820 -0.557 0.000 1.897 315 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 315 A C 2.354 179.846 177.584 -0.154 0.000 1.181 315 A CA 1.203 52.950 52.037 -0.483 0.000 0.620 315 A CB -0.216 18.382 19.000 -0.670 0.000 0.821 315 A HN 0.249 nan 8.150 nan 0.000 0.443 316 K N -0.195 120.182 120.400 -0.040 0.000 2.057 316 K HA -0.075 4.244 4.320 -0.001 0.000 0.207 316 K C 2.317 178.935 176.600 0.030 0.000 1.049 316 K CA 1.105 57.468 56.287 0.126 0.000 0.931 316 K CB -0.328 32.277 32.500 0.175 0.000 0.714 316 K HN 0.429 nan 8.250 nan 0.000 0.440 317 A N 1.956 124.762 122.820 -0.023 0.000 1.908 317 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 317 A C 2.055 179.614 177.584 -0.041 0.000 1.181 317 A CA 1.110 53.041 52.037 -0.176 0.000 0.627 317 A CB -0.579 18.302 19.000 -0.199 0.000 0.818 317 A HN 0.252 nan 8.150 nan 0.000 0.445 318 L N -0.370 120.907 121.223 0.089 0.000 2.093 318 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 318 L C 2.446 179.243 176.870 -0.121 0.000 1.085 318 L CA 2.284 57.108 54.840 -0.028 0.000 0.755 318 L CB -0.832 41.014 42.059 -0.356 0.000 0.904 318 L HN 0.544 nan 8.230 nan 0.000 0.435 319 R N -0.467 119.936 120.500 -0.162 0.000 2.120 319 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 319 R C 2.344 178.541 176.300 -0.171 0.000 1.123 319 R CA 1.222 57.179 56.100 -0.238 0.000 0.975 319 R CB -0.027 29.990 30.300 -0.470 0.000 0.866 319 R HN 0.412 nan 8.270 nan 0.000 0.446 320 L N -0.865 120.253 121.223 -0.175 0.000 2.049 320 L HA -0.080 4.260 4.340 -0.001 0.000 0.203 320 L C 2.581 179.388 176.870 -0.106 0.000 1.074 320 L CA 1.230 55.879 54.840 -0.317 0.000 0.749 320 L CB -0.583 40.930 42.059 -0.911 0.000 0.907 320 L HN 0.216 nan 8.230 nan 0.000 0.439 321 S N -0.754 114.915 115.700 -0.052 0.000 2.359 321 S HA 0.001 4.470 4.470 -0.001 0.000 0.224 321 S C 0.843 175.494 174.600 0.084 0.000 1.035 321 S CA 1.148 59.415 58.200 0.112 0.000 1.018 321 S CB -0.288 63.051 63.200 0.232 0.000 0.876 321 S HN 0.617 nan 8.310 nan 0.000 0.448 322 G N -1.685 107.126 108.800 0.018 0.000 2.931 322 G HA2 0.438 4.398 3.960 -0.001 0.000 0.675 322 G HA3 0.438 4.398 3.960 -0.001 0.000 0.675 322 G C -0.326 174.541 174.900 -0.054 0.000 1.339 322 G CA -0.464 44.630 45.100 -0.010 0.000 0.866 322 G HN 1.116 nan 8.290 nan 0.000 0.616 323 G N 0.346 109.095 108.800 -0.086 0.000 2.556 323 G HA2 0.604 4.564 3.960 -0.001 0.000 0.294 323 G HA3 0.604 4.564 3.960 -0.001 0.000 0.294 323 G C -0.245 174.596 174.900 -0.098 0.000 1.516 323 G CA 0.316 45.348 45.100 -0.114 0.000 0.824 323 G HN 0.408 nan 8.290 nan 0.000 0.535 324 D N -0.556 119.787 120.400 -0.094 0.000 2.338 324 D HA 0.117 4.757 4.640 -0.001 0.000 0.208 324 D C 0.381 176.733 176.300 0.087 0.000 0.997 324 D CA 0.946 54.929 54.000 -0.027 0.000 0.880 324 D CB 0.447 41.223 40.800 -0.040 0.000 0.980 324 D HN 0.551 nan 8.370 nan 0.000 0.509 325 H N -0.674 118.272 119.070 -0.207 0.000 2.747 325 H HA 0.637 5.193 4.556 -0.001 0.000 0.371 325 H C -0.804 174.314 175.328 -0.351 0.000 1.161 325 H CA -0.828 55.059 56.048 -0.267 0.000 1.167 325 H CB 3.189 32.757 29.762 -0.323 0.000 1.732 325 H HN -0.152 nan 8.280 nan 0.000 0.544 326 I N 1.568 122.029 120.570 -0.182 0.000 2.680 326 I HA 0.117 4.286 4.170 -0.001 0.000 0.291 326 I C -0.792 175.242 176.117 -0.139 0.000 1.244 326 I CA -0.516 60.672 61.300 -0.187 0.000 1.042 326 I CB 1.753 39.679 38.000 -0.123 0.000 1.277 326 I HN 0.688 nan 8.210 nan 0.000 0.423 327 H N 5.109 124.019 119.070 -0.266 0.000 2.848 327 H HA 0.135 4.691 4.556 -0.001 0.000 0.341 327 H C 0.426 175.626 175.328 -0.214 0.000 1.060 327 H CA 0.794 56.687 56.048 -0.259 0.000 1.444 327 H CB 1.085 30.615 29.762 -0.387 0.000 1.446 327 H HN 0.631 nan 8.280 nan 0.000 0.583 328 S N 1.740 117.395 115.700 -0.076 0.000 2.937 328 S HA 0.343 4.812 4.470 -0.001 0.000 0.252 328 S C 0.788 175.444 174.600 0.092 0.000 1.022 328 S CA -0.002 58.246 58.200 0.080 0.000 1.079 328 S CB 0.793 64.252 63.200 0.433 0.000 1.035 328 S HN 1.094 nan 8.310 nan 0.000 0.594 329 G N 0.892 109.660 108.800 -0.053 0.000 2.757 329 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.638 329 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.638 329 G C 0.232 175.160 174.900 0.047 0.000 1.344 329 G CA -0.077 45.025 45.100 0.003 0.000 0.855 329 G HN 0.566 nan 8.290 nan 0.000 0.537 330 T N -1.298 113.279 114.554 0.039 0.000 2.990 330 T HA 0.364 4.713 4.350 -0.001 0.000 0.249 330 T C 2.089 176.849 174.700 0.101 0.000 1.039 330 T CA 1.900 64.019 62.100 0.032 0.000 1.036 330 T CB -0.302 68.518 68.868 -0.080 0.000 0.994 330 T HN 2.024 nan 8.240 nan 0.000 0.489 331 V N 0.108 120.062 119.914 0.068 0.000 0.524 331 V HA -0.311 3.809 4.120 -0.001 0.000 0.092 331 V C 1.238 177.340 176.094 0.012 0.000 2.204 331 V CA 2.068 64.381 62.300 0.022 0.000 3.556 331 V CB -1.641 30.158 31.823 -0.040 0.000 0.846 331 V HN 0.442 nan 8.190 nan 0.000 0.884 339 R N 2.525 123.004 120.500 -0.034 0.000 2.115 339 R HA -0.221 4.118 4.340 -0.001 0.000 0.239 339 R C 0.775 177.003 176.300 -0.120 0.000 1.133 339 R CA 2.634 58.679 56.100 -0.092 0.000 0.935 339 R CB -0.032 30.218 30.300 -0.083 0.000 0.853 339 R HN 0.427 nan 8.270 nan 0.000 0.433 340 D N 0.381 120.734 120.400 -0.079 0.000 2.123 340 D HA -0.174 4.466 4.640 -0.001 0.000 0.196 340 D C 1.961 178.213 176.300 -0.080 0.000 0.992 340 D CA 1.126 55.078 54.000 -0.079 0.000 0.833 340 D CB -0.199 40.571 40.800 -0.049 0.000 0.954 340 D HN 0.276 nan 8.370 nan 0.000 0.455 341 I N 1.145 121.697 120.570 -0.030 0.000 2.226 341 I HA -0.196 3.974 4.170 -0.001 0.000 0.245 341 I C 2.263 178.322 176.117 -0.097 0.000 1.100 341 I CA 1.155 62.478 61.300 0.039 0.000 1.374 341 I CB -1.413 36.696 38.000 0.181 0.000 1.057 341 I HN 0.011 nan 8.210 nan 0.000 0.413 342 T N 1.759 116.150 114.554 -0.272 0.000 2.708 342 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 342 T C 2.160 176.362 174.700 -0.830 0.000 1.037 342 T CA 1.119 62.718 62.100 -0.834 0.000 1.146 342 T CB -0.445 68.160 68.868 -0.439 0.000 0.865 342 T HN 0.226 nan 8.240 nan 0.000 0.435 343 L N 0.763 121.718 121.223 -0.446 0.000 2.127 343 L HA -0.046 4.293 4.340 -0.001 0.000 0.211 343 L C 2.943 179.682 176.870 -0.218 0.000 1.089 343 L CA 1.214 55.858 54.840 -0.326 0.000 0.757 343 L CB -0.956 40.960 42.059 -0.239 0.000 0.899 343 L HN 0.374 nan 8.230 nan 0.000 0.434 344 G N 0.939 109.633 108.800 -0.176 0.000 2.421 344 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.216 344 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.216 344 G C 1.298 176.236 174.900 0.063 0.000 1.171 344 G CA 0.956 46.035 45.100 -0.036 0.000 0.775 344 G HN 0.494 nan 8.290 nan 0.000 0.543 345 F N 0.542 120.563 119.950 0.118 0.000 2.558 345 F HA 0.279 4.805 4.527 -0.001 0.000 0.298 345 F C 2.088 177.961 175.800 0.121 0.000 1.119 345 F CA -0.093 57.992 58.000 0.142 0.000 1.451 345 F CB -0.730 38.395 39.000 0.209 0.000 1.091 345 F HN -0.012 nan 8.300 nan 0.000 0.563 346 V N 1.181 121.123 119.914 0.047 0.000 2.358 346 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 346 V C 2.098 178.247 176.094 0.093 0.000 1.047 346 V CA 2.232 64.595 62.300 0.105 0.000 1.035 346 V CB -0.626 31.187 31.823 -0.017 0.000 0.658 346 V HN 0.224 nan 8.190 nan 0.000 0.452 347 D N 0.090 120.525 120.400 0.058 0.000 2.144 347 D HA -0.116 4.523 4.640 -0.001 0.000 0.199 347 D C 2.086 178.450 176.300 0.107 0.000 0.984 347 D CA 1.150 55.191 54.000 0.067 0.000 0.834 347 D CB -0.218 40.614 40.800 0.053 0.000 0.955 347 D HN 0.333 nan 8.370 nan 0.000 0.465 348 L N 0.004 121.326 121.223 0.164 0.000 2.191 348 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 348 L C 2.344 179.259 176.870 0.076 0.000 1.103 348 L CA 0.489 55.471 54.840 0.237 0.000 0.769 348 L CB -0.144 42.091 42.059 0.294 0.000 0.908 348 L HN 0.054 nan 8.230 nan 0.000 0.438 349 L N -1.120 120.119 121.223 0.026 0.000 2.209 349 L HA -0.044 4.296 4.340 -0.001 0.000 0.207 349 L C 2.647 179.405 176.870 -0.186 0.000 1.094 349 L CA 0.823 55.595 54.840 -0.113 0.000 0.790 349 L CB -0.149 41.921 42.059 0.019 0.000 0.932 349 L HN 0.167 nan 8.230 nan 0.000 0.447 350 R N -0.906 119.545 120.500 -0.082 0.000 2.146 350 R HA 0.081 4.420 4.340 -0.001 0.000 0.206 350 R C 0.015 176.278 176.300 -0.062 0.000 1.049 350 R CA 0.066 56.126 56.100 -0.068 0.000 1.029 350 R CB 0.100 30.400 30.300 0.000 0.000 0.949 350 R HN 0.223 nan 8.270 nan 0.000 0.471 351 D N 0.537 120.931 120.400 -0.011 0.000 2.383 351 D HA -0.012 4.628 4.640 -0.001 0.000 0.248 351 D C 0.275 176.647 176.300 0.120 0.000 1.170 351 D CA 0.055 54.095 54.000 0.067 0.000 0.977 351 D CB 0.936 41.810 40.800 0.123 0.000 1.120 351 D HN -0.067 nan 8.370 nan 0.000 0.481 352 D N -1.505 119.019 120.400 0.207 0.000 2.327 352 D HA -0.048 4.591 4.640 -0.001 0.000 0.205 352 D C -0.744 175.841 176.300 0.475 0.000 0.989 352 D CA 0.293 54.482 54.000 0.314 0.000 0.873 352 D CB 0.268 41.197 40.800 0.215 0.000 0.955 352 D HN 0.337 nan 8.370 nan 0.000 0.515 353 Y N -0.536 119.904 120.300 0.233 0.000 2.399 353 Y HA 0.410 4.960 4.550 -0.001 0.000 0.327 353 Y C -1.693 174.298 175.900 0.151 0.000 1.111 353 Y CA -0.723 57.481 58.100 0.173 0.000 1.047 353 Y CB 1.721 40.241 38.460 0.101 0.000 1.259 353 Y HN -0.297 nan 8.280 nan 0.000 0.434 354 T N 5.448 119.796 114.554 -0.344 0.000 2.890 354 T HA 0.232 4.582 4.350 -0.001 0.000 0.295 354 T C -0.961 173.482 174.700 -0.428 0.000 0.993 354 T CA -0.655 61.310 62.100 -0.225 0.000 0.979 354 T CB 1.359 70.229 68.868 0.004 0.000 0.967 354 T HN 0.653 nan 8.240 nan 0.000 0.441 355 E N 2.306 122.319 120.200 -0.311 0.000 2.373 355 E HA 0.220 4.570 4.350 -0.001 0.000 0.263 355 E C 0.276 176.823 176.600 -0.090 0.000 1.073 355 E CA -0.572 55.708 56.400 -0.199 0.000 0.894 355 E CB 0.663 30.354 29.700 -0.014 0.000 1.008 355 E HN 0.428 nan 8.360 nan 0.000 0.420 356 K N 2.328 122.694 120.400 -0.055 0.000 2.524 356 K HA -0.079 4.240 4.320 -0.001 0.000 0.279 356 K C -1.020 175.548 176.600 -0.053 0.000 0.993 356 K CA 0.570 56.834 56.287 -0.038 0.000 1.030 356 K CB 0.306 32.791 32.500 -0.025 0.000 0.891 356 K HN 0.418 nan 8.250 nan 0.000 0.488 357 D N 3.617 123.970 120.400 -0.078 0.000 2.362 357 D HA 0.145 4.784 4.640 -0.001 0.000 0.232 357 D C 0.286 176.502 176.300 -0.139 0.000 1.329 357 D CA -0.474 53.476 54.000 -0.084 0.000 0.944 357 D CB 0.587 41.356 40.800 -0.052 0.000 1.471 357 D HN 0.493 nan 8.370 nan 0.000 0.533 358 R N 0.818 121.205 120.500 -0.188 0.000 2.152 358 R HA -0.077 4.263 4.340 -0.001 0.000 0.232 358 R C 1.802 177.988 176.300 -0.190 0.000 1.117 358 R CA 1.269 57.200 56.100 -0.281 0.000 0.981 358 R CB -0.698 29.438 30.300 -0.274 0.000 0.870 358 R HN 0.506 nan 8.270 nan 0.000 0.451 359 S N 0.246 115.875 115.700 -0.117 0.000 2.507 359 S HA -0.039 4.431 4.470 -0.001 0.000 0.235 359 S C 1.434 175.995 174.600 -0.066 0.000 0.988 359 S CA 0.637 58.790 58.200 -0.079 0.000 0.944 359 S CB -0.012 63.154 63.200 -0.056 0.000 0.762 359 S HN 0.285 nan 8.310 nan 0.000 0.526 360 R N 0.048 120.504 120.500 -0.073 0.000 2.596 360 R HA 0.328 4.668 4.340 -0.001 0.000 0.369 360 R C 1.133 177.416 176.300 -0.028 0.000 1.042 360 R CA 0.258 56.331 56.100 -0.045 0.000 1.120 360 R CB 0.471 30.747 30.300 -0.039 0.000 1.353 360 R HN 0.479 nan 8.270 nan 0.000 0.564 361 G N 1.802 110.557 108.800 -0.075 0.000 2.155 361 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.257 361 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.257 361 G C 0.192 175.127 174.900 0.058 0.000 0.983 361 G CA -0.008 45.074 45.100 -0.030 0.000 0.676 361 G HN 0.306 nan 8.290 nan 0.000 0.528 362 I N 0.986 121.541 120.570 -0.024 0.000 2.269 362 I HA 0.288 4.457 4.170 -0.001 0.000 0.293 362 I C 1.264 177.358 176.117 -0.038 0.000 1.106 362 I CA -0.851 60.479 61.300 0.049 0.000 1.248 362 I CB 0.280 38.297 38.000 0.027 0.000 1.444 362 I HN 0.060 nan 8.210 nan 0.000 0.497 363 Y N 5.062 125.269 120.300 -0.154 0.000 2.457 363 Y HA 0.130 4.679 4.550 -0.001 0.000 0.292 363 Y C 0.302 175.864 175.900 -0.563 0.000 1.125 363 Y CA 0.521 58.393 58.100 -0.379 0.000 1.254 363 Y CB -0.099 38.005 38.460 -0.592 0.000 1.012 363 Y HN 0.303 nan 8.280 nan 0.000 0.555 364 F N -1.953 118.112 119.950 0.193 0.000 2.599 364 F HA 0.405 4.932 4.527 -0.001 0.000 0.311 364 F C 0.191 175.989 175.800 -0.003 0.000 1.076 364 F CA -1.704 56.357 58.000 0.102 0.000 0.937 364 F CB 1.026 40.084 39.000 0.096 0.000 1.282 364 F HN -0.507 nan 8.300 nan 0.000 0.460 365 T N 1.588 116.231 114.554 0.149 0.000 2.884 365 T HA 0.330 4.679 4.350 -0.001 0.000 0.298 365 T C -0.584 174.059 174.700 -0.095 0.000 0.998 365 T CA -0.131 61.934 62.100 -0.059 0.000 1.124 365 T CB 0.827 69.650 68.868 -0.075 0.000 0.931 365 T HN 0.436 nan 8.240 nan 0.000 0.531 366 Q N 1.998 121.663 119.800 -0.226 0.000 2.321 366 Q HA 0.535 4.874 4.340 -0.001 0.000 0.270 366 Q C -1.246 174.557 176.000 -0.328 0.000 1.032 366 Q CA -0.400 55.236 55.803 -0.279 0.000 0.784 366 Q CB 1.491 30.092 28.738 -0.228 0.000 1.264 366 Q HN 0.604 nan 8.270 nan 0.000 0.448 367 S N 3.031 118.547 115.700 -0.306 0.000 2.537 367 S HA 0.484 4.954 4.470 -0.001 0.000 0.301 367 S C -0.730 173.677 174.600 -0.321 0.000 1.092 367 S CA -0.521 57.634 58.200 -0.074 0.000 1.048 367 S CB 0.632 63.899 63.200 0.113 0.000 1.053 367 S HN 0.818 nan 8.310 nan 0.000 0.501 368 W N 0.703 122.052 121.300 0.081 0.000 2.870 368 W HA 0.232 4.892 4.660 -0.001 0.000 0.358 368 W C 0.422 176.966 176.519 0.041 0.000 1.043 368 W CA -0.527 56.842 57.345 0.041 0.000 1.692 368 W CB -0.111 29.367 29.460 0.029 0.000 1.100 368 W HN 0.590 nan 8.180 nan 0.000 0.557 369 V N -0.014 120.026 119.914 0.210 0.000 5.637 369 V HA -0.377 3.742 4.120 -0.001 0.000 0.246 369 V C 0.694 176.871 176.094 0.139 0.000 0.678 369 V CA 0.746 63.130 62.300 0.140 0.000 0.578 369 V CB -2.510 29.367 31.823 0.090 0.000 0.235 369 V HN 0.494 nan 8.190 nan 0.000 0.609 370 S N -1.803 113.988 115.700 0.152 0.000 3.382 370 S HA -0.198 4.272 4.470 -0.001 0.000 0.293 370 S C 0.635 175.293 174.600 0.097 0.000 1.262 370 S CA 1.315 59.580 58.200 0.110 0.000 0.969 370 S CB -1.761 61.483 63.200 0.073 0.000 1.136 370 S HN 1.475 nan 8.310 nan 0.000 0.635 371 T N 3.686 118.326 114.554 0.142 0.000 2.834 371 T HA 0.352 4.701 4.350 -0.001 0.000 0.298 371 T C -1.851 172.843 174.700 -0.009 0.000 0.966 371 T CA -0.632 61.522 62.100 0.089 0.000 1.141 371 T CB 0.485 69.462 68.868 0.181 0.000 0.905 371 T HN 0.069 nan 8.240 nan 0.000 0.535 372 P HA 0.191 nan 4.420 nan 0.000 0.267 372 P C 0.419 177.631 177.300 -0.146 0.000 1.201 372 P CA -0.161 62.902 63.100 -0.060 0.000 0.775 372 P CB 0.376 32.053 31.700 -0.037 0.000 0.854 373 G N 0.415 109.143 108.800 -0.120 0.000 2.504 373 G HA2 0.480 4.439 3.960 -0.001 0.000 0.288 373 G HA3 0.480 4.439 3.960 -0.001 0.000 0.288 373 G C -0.976 173.849 174.900 -0.125 0.000 1.182 373 G CA -0.438 44.562 45.100 -0.166 0.000 0.894 373 G HN 0.365 nan 8.290 nan 0.000 0.521 374 V N 1.169 121.000 119.914 -0.139 0.000 2.513 374 V HA 0.271 4.390 4.120 -0.001 0.000 0.299 374 V C -0.261 175.800 176.094 -0.054 0.000 1.035 374 V CA -0.909 61.336 62.300 -0.093 0.000 0.889 374 V CB 1.598 33.342 31.823 -0.132 0.000 0.988 374 V HN 0.527 nan 8.190 nan 0.000 0.440 375 L N 8.530 129.732 121.223 -0.034 0.000 2.361 375 L HA 0.396 4.735 4.340 -0.001 0.000 0.278 375 L C -1.970 174.821 176.870 -0.132 0.000 1.113 375 L CA -1.594 53.196 54.840 -0.083 0.000 0.849 375 L CB 0.734 42.708 42.059 -0.142 0.000 1.155 375 L HN 0.453 nan 8.230 nan 0.000 0.452 376 P HA 0.143 nan 4.420 nan 0.000 0.279 376 P C -1.060 176.066 177.300 -0.291 0.000 1.239 376 P CA -0.310 62.731 63.100 -0.099 0.000 0.789 376 P CB 1.436 33.176 31.700 0.066 0.000 0.933 377 V N 2.931 122.635 119.914 -0.350 0.000 2.357 377 V HA 0.472 4.592 4.120 -0.001 0.000 0.284 377 V C 0.573 176.346 176.094 -0.536 0.000 1.018 377 V CA -0.776 61.227 62.300 -0.496 0.000 0.841 377 V CB 0.983 32.436 31.823 -0.617 0.000 0.991 377 V HN 0.693 nan 8.190 nan 0.000 0.437 378 A N 4.061 126.508 122.820 -0.621 0.000 2.289 378 A HA 0.821 5.141 4.320 -0.001 0.000 0.298 378 A C 0.113 177.437 177.584 -0.432 0.000 1.208 378 A CA -0.142 51.563 52.037 -0.554 0.000 0.845 378 A CB 1.043 19.570 19.000 -0.790 0.000 1.125 378 A HN 0.853 nan 8.150 nan 0.000 0.517 379 S N 1.142 116.670 115.700 -0.288 0.000 2.570 379 S HA 0.778 5.248 4.470 -0.001 0.000 0.270 379 S C -0.516 174.000 174.600 -0.139 0.000 1.149 379 S CA 0.385 58.451 58.200 -0.223 0.000 0.837 379 S CB 1.516 64.672 63.200 -0.073 0.000 1.124 379 S HN 2.599 nan 8.310 nan 0.000 0.465 380 G N 1.036 109.759 108.800 -0.128 0.000 2.730 380 G HA2 0.443 4.403 3.960 -0.001 0.000 0.644 380 G HA3 0.443 4.403 3.960 -0.001 0.000 0.644 380 G C 0.902 175.736 174.900 -0.111 0.000 1.168 380 G CA 0.329 45.380 45.100 -0.080 0.000 1.240 380 G HN 2.113 nan 8.290 nan 0.000 0.551 381 G N 0.552 109.312 108.800 -0.067 0.000 2.296 381 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.282 381 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.282 381 G C 0.790 175.632 174.900 -0.096 0.000 1.014 381 G CA 1.225 46.301 45.100 -0.040 0.000 0.812 381 G HN 2.263 nan 8.290 nan 0.000 0.508 382 I N -2.046 118.412 120.570 -0.186 0.000 2.577 382 I HA 0.879 5.048 4.170 -0.001 0.000 0.300 382 I C 0.367 176.574 176.117 0.149 0.000 0.990 382 I CA -1.017 60.142 61.300 -0.235 0.000 1.283 382 I CB 1.236 39.009 38.000 -0.378 0.000 1.411 382 I HN 0.357 nan 8.210 nan 0.000 0.515 383 H N 1.287 120.577 119.070 0.367 0.000 2.942 383 H HA 0.424 4.980 4.556 -0.001 0.000 0.316 383 H C 0.711 176.065 175.328 0.044 0.000 1.323 383 H CA -0.430 55.604 56.048 -0.024 0.000 1.144 383 H CB 0.618 30.022 29.762 -0.596 0.000 1.866 383 H HN 0.365 nan 8.280 nan 0.000 0.545 384 V N -2.800 117.105 119.914 -0.015 0.000 2.311 384 V HA -0.345 3.774 4.120 -0.001 0.000 0.256 384 V C 1.410 177.441 176.094 -0.106 0.000 1.077 384 V CA 2.187 64.387 62.300 -0.167 0.000 1.067 384 V CB -1.378 30.260 31.823 -0.308 0.000 0.659 384 V HN 0.824 nan 8.190 nan 0.000 0.451 385 W N -0.281 121.097 121.300 0.130 0.000 2.525 385 W HA 0.022 4.682 4.660 -0.000 0.000 0.259 385 W C 2.577 178.980 176.519 -0.194 0.000 1.253 385 W CA 1.094 58.414 57.345 -0.041 0.000 1.262 385 W CB -0.421 29.057 29.460 0.030 0.000 1.122 385 W HN 0.403 nan 8.180 nan 0.000 0.607 386 H N -1.079 118.033 119.070 0.069 0.000 2.551 386 H HA 0.044 4.600 4.556 -0.001 0.000 0.266 386 H C 1.883 177.265 175.328 0.089 0.000 0.964 386 H CA 0.737 56.809 56.048 0.041 0.000 1.180 386 H CB -0.126 29.610 29.762 -0.044 0.000 1.408 386 H HN 0.155 nan 8.280 nan 0.000 0.563 387 M N 1.566 121.278 119.600 0.188 0.000 2.089 387 M HA -0.099 4.381 4.480 -0.001 0.000 0.257 387 M C -0.905 175.468 176.300 0.121 0.000 1.071 387 M CA 1.772 57.157 55.300 0.142 0.000 1.096 387 M CB -0.885 31.737 32.600 0.037 0.000 1.330 387 M HN 0.096 nan 8.290 nan 0.000 0.403 388 P HA -0.060 nan 4.420 nan 0.000 0.216 388 P C 1.082 178.442 177.300 0.100 0.000 1.153 388 P CA 2.078 65.234 63.100 0.094 0.000 0.848 388 P CB -0.292 31.465 31.700 0.096 0.000 0.787 389 A N -0.531 122.360 122.820 0.118 0.000 1.877 389 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 389 A C 2.212 179.871 177.584 0.124 0.000 1.186 389 A CA 1.449 53.551 52.037 0.109 0.000 0.620 389 A CB -1.667 17.409 19.000 0.127 0.000 0.822 389 A HN 0.098 nan 8.150 nan 0.000 0.443 390 L N -0.759 120.568 121.223 0.172 0.000 2.056 390 L HA -0.150 4.190 4.340 -0.001 0.000 0.207 390 L C 2.780 179.794 176.870 0.241 0.000 1.078 390 L CA 1.722 56.711 54.840 0.247 0.000 0.749 390 L CB -0.952 41.227 42.059 0.199 0.000 0.901 390 L HN 0.341 nan 8.230 nan 0.000 0.433 391 T N -1.048 113.600 114.554 0.158 0.000 2.746 391 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 391 T C 1.755 176.518 174.700 0.105 0.000 1.039 391 T CA 1.592 63.767 62.100 0.125 0.000 1.142 391 T CB -0.117 68.806 68.868 0.092 0.000 0.866 391 T HN 0.256 nan 8.240 nan 0.000 0.444 392 E N 1.106 121.355 120.200 0.081 0.000 2.051 392 E HA -0.060 4.290 4.350 -0.001 0.000 0.192 392 E C 1.992 178.598 176.600 0.010 0.000 0.991 392 E CA 1.196 57.622 56.400 0.044 0.000 0.799 392 E CB -0.477 29.245 29.700 0.036 0.000 0.748 392 E HN 0.529 nan 8.360 nan 0.000 0.449 393 I N -0.741 119.820 120.570 -0.016 0.000 2.233 393 I HA -0.166 4.004 4.170 -0.001 0.000 0.243 393 I C 1.675 177.643 176.117 -0.247 0.000 1.093 393 I CA 0.891 62.089 61.300 -0.169 0.000 1.380 393 I CB -0.161 37.667 38.000 -0.286 0.000 1.067 393 I HN 0.097 nan 8.210 nan 0.000 0.413 394 F N 0.492 120.428 119.950 -0.024 0.000 2.387 394 F HA 0.285 4.811 4.527 -0.001 0.000 0.294 394 F C 1.607 177.397 175.800 -0.016 0.000 1.093 394 F CA 0.790 58.772 58.000 -0.031 0.000 1.420 394 F CB -0.517 38.459 39.000 -0.041 0.000 1.086 394 F HN 0.159 nan 8.300 nan 0.000 0.531 395 G N 0.489 109.391 108.800 0.169 0.000 2.681 395 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.220 395 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.220 395 G C 0.122 175.084 174.900 0.103 0.000 1.353 395 G CA -0.068 45.095 45.100 0.105 0.000 0.872 395 G HN 0.097 nan 8.290 nan 0.000 0.557 396 D N 0.513 120.959 120.400 0.076 0.000 2.144 396 D HA 0.018 4.658 4.640 -0.001 0.000 0.200 396 D C 0.932 177.262 176.300 0.050 0.000 0.978 396 D CA 1.428 55.466 54.000 0.063 0.000 0.833 396 D CB -0.142 40.697 40.800 0.063 0.000 0.961 396 D HN 0.402 nan 8.370 nan 0.000 0.470 397 D N 0.821 121.254 120.400 0.054 0.000 2.551 397 D HA 0.169 4.809 4.640 -0.001 0.000 0.223 397 D C 0.029 176.336 176.300 0.011 0.000 1.144 397 D CA 0.111 54.130 54.000 0.033 0.000 1.025 397 D CB -0.034 40.789 40.800 0.039 0.000 1.085 397 D HN 0.028 nan 8.370 nan 0.000 0.506 398 S N -1.189 114.488 115.700 -0.038 0.000 2.587 398 S HA 0.564 5.033 4.470 -0.001 0.000 0.269 398 S C -1.053 173.439 174.600 -0.179 0.000 1.154 398 S CA -0.940 57.175 58.200 -0.142 0.000 0.824 398 S CB 1.639 64.727 63.200 -0.187 0.000 1.118 398 S HN -0.068 nan 8.310 nan 0.000 0.462 399 V N 1.826 121.571 119.914 -0.282 0.000 2.444 399 V HA 0.485 4.605 4.120 -0.001 0.000 0.294 399 V C -0.757 175.166 176.094 -0.285 0.000 1.022 399 V CA -0.628 61.543 62.300 -0.214 0.000 0.850 399 V CB 1.201 32.867 31.823 -0.261 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 4.446 125.548 121.223 -0.202 0.000 2.265 400 L HA 0.574 4.914 4.340 -0.001 0.000 0.289 400 L C -0.233 176.402 176.870 -0.392 0.000 1.033 400 L CA -0.428 54.205 54.840 -0.345 0.000 0.814 400 L CB 1.375 43.328 42.059 -0.176 0.000 1.203 400 L HN 0.587 nan 8.230 nan 0.000 0.423 401 Q N 2.722 122.201 119.800 -0.534 0.000 2.314 401 Q HA 0.473 4.812 4.340 -0.001 0.000 0.259 401 Q C -1.442 174.197 176.000 -0.602 0.000 0.951 401 Q CA -0.041 55.538 55.803 -0.372 0.000 0.909 401 Q CB 1.093 29.718 28.738 -0.189 0.000 1.236 401 Q HN 0.365 nan 8.270 nan 0.000 0.444 402 F N 2.745 122.661 119.950 -0.056 0.000 2.443 402 F HA 0.415 4.941 4.527 -0.001 0.000 0.369 402 F C 1.006 176.778 175.800 -0.048 0.000 1.090 402 F CA -0.660 57.297 58.000 -0.072 0.000 1.129 402 F CB 1.141 40.087 39.000 -0.090 0.000 1.367 402 F HN 0.746 nan 8.300 nan 0.000 0.465 403 G N 1.483 110.328 108.800 0.075 0.000 2.662 403 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.215 403 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.215 403 G C 1.794 176.749 174.900 0.093 0.000 1.310 403 G CA 0.630 45.772 45.100 0.071 0.000 0.849 403 G HN 0.712 nan 8.290 nan 0.000 0.568 404 G N 0.474 109.327 108.800 0.089 0.000 2.470 404 G HA2 0.117 4.077 3.960 -0.001 0.000 0.220 404 G HA3 0.117 4.077 3.960 -0.001 0.000 0.220 404 G C 1.630 176.603 174.900 0.122 0.000 1.121 404 G CA 1.282 46.459 45.100 0.129 0.000 0.766 404 G HN 0.698 nan 8.290 nan 0.000 0.553 405 G N -0.479 108.320 108.800 -0.002 0.000 2.559 405 G HA2 0.070 4.030 3.960 -0.001 0.000 0.216 405 G HA3 0.070 4.030 3.960 -0.001 0.000 0.216 405 G C 1.501 176.376 174.900 -0.041 0.000 1.126 405 G CA 1.568 46.516 45.100 -0.253 0.000 0.778 405 G HN 0.403 nan 8.290 nan 0.000 0.543 406 T N 0.338 114.962 114.554 0.117 0.000 3.114 406 T HA 0.127 4.477 4.350 -0.001 0.000 0.240 406 T C 2.140 176.949 174.700 0.182 0.000 0.983 406 T CA -0.158 62.014 62.100 0.120 0.000 1.151 406 T CB -0.055 68.849 68.868 0.061 0.000 0.974 406 T HN 0.102 nan 8.240 nan 0.000 0.442 407 L N 1.255 122.573 121.223 0.158 0.000 2.551 407 L HA 0.218 4.558 4.340 -0.001 0.000 0.228 407 L C 2.215 179.206 176.870 0.201 0.000 1.153 407 L CA 0.659 55.585 54.840 0.144 0.000 0.851 407 L CB -0.297 41.820 42.059 0.098 0.000 0.959 407 L HN 0.326 nan 8.230 nan 0.000 0.451 408 G N -2.668 106.329 108.800 0.329 0.000 3.159 408 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.232 408 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.232 408 G C 0.446 175.490 174.900 0.240 0.000 1.116 408 G CA -0.317 44.994 45.100 0.351 0.000 0.767 408 G HN 0.254 nan 8.290 nan 0.000 0.547 409 H N 2.060 121.246 119.070 0.193 0.000 2.848 409 H HA 0.092 4.648 4.556 -0.001 0.000 0.341 409 H C -1.015 174.263 175.328 -0.084 0.000 1.060 409 H CA -1.028 54.997 56.048 -0.038 0.000 1.444 409 H CB 2.104 31.881 29.762 0.025 0.000 1.446 409 H HN 0.003 nan 8.280 nan 0.000 0.583 410 P HA -0.167 nan 4.420 nan 0.000 0.218 410 P C 0.863 178.351 177.300 0.314 0.000 1.148 410 P CA 1.237 64.277 63.100 -0.100 0.000 0.822 410 P CB 0.014 31.568 31.700 -0.244 0.000 0.784 411 W N 0.345 121.779 121.300 0.223 0.000 3.139 411 W HA 0.460 5.119 4.660 -0.001 0.000 0.260 411 W C 1.231 177.824 176.519 0.123 0.000 1.312 411 W CA 0.724 58.180 57.345 0.184 0.000 1.606 411 W CB -0.813 28.769 29.460 0.204 0.000 1.118 411 W HN 0.097 nan 8.180 nan 0.000 0.675 412 G N 0.192 109.201 108.800 0.348 0.000 2.408 412 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.682 412 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.682 412 G C 0.531 175.481 174.900 0.084 0.000 1.303 412 G CA -0.291 44.911 45.100 0.170 0.000 0.966 412 G HN -0.094 nan 8.290 nan 0.000 0.560 413 N N -0.037 118.683 118.700 0.033 0.000 2.069 413 N HA -0.068 4.672 4.740 -0.001 0.000 0.191 413 N C 2.756 178.215 175.510 -0.085 0.000 1.031 413 N CA 2.698 55.736 53.050 -0.020 0.000 0.852 413 N CB -0.708 37.758 38.487 -0.034 0.000 1.018 413 N HN 1.090 nan 8.380 nan 0.000 0.423 414 A N 1.396 124.158 122.820 -0.097 0.000 1.865 414 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 414 A C -0.163 177.333 177.584 -0.148 0.000 1.191 414 A CA 1.510 53.472 52.037 -0.126 0.000 0.623 414 A CB -1.574 17.356 19.000 -0.117 0.000 0.826 414 A HN 0.237 nan 8.150 nan 0.000 0.444 415 P HA -0.031 nan 4.420 nan 0.000 0.221 415 P C 1.621 178.514 177.300 -0.679 0.000 1.150 415 P CA 1.484 64.404 63.100 -0.301 0.000 0.800 415 P CB -0.250 31.381 31.700 -0.115 0.000 0.787 416 G N 0.197 108.625 108.800 -0.619 0.000 2.408 416 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 416 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 416 G C 1.597 176.356 174.900 -0.235 0.000 1.150 416 G CA 0.850 45.702 45.100 -0.414 0.000 0.776 416 G HN 0.292 nan 8.290 nan 0.000 0.542 417 A N 0.164 122.868 122.820 -0.193 0.000 1.898 417 A HA 0.138 4.457 4.320 -0.001 0.000 0.216 417 A C 2.587 180.070 177.584 -0.168 0.000 1.181 417 A CA 1.645 53.590 52.037 -0.154 0.000 0.620 417 A CB -0.589 18.337 19.000 -0.123 0.000 0.819 417 A HN 0.229 nan 8.150 nan 0.000 0.442 418 V N 0.084 119.893 119.914 -0.175 0.000 2.332 418 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 418 V C 3.060 179.050 176.094 -0.174 0.000 1.055 418 V CA 1.989 64.203 62.300 -0.143 0.000 1.038 418 V CB -1.299 30.456 31.823 -0.114 0.000 0.651 418 V HN 0.611 nan 8.190 nan 0.000 0.450 419 A N 0.356 123.037 122.820 -0.232 0.000 1.908 419 A HA -0.292 4.027 4.320 -0.001 0.000 0.218 419 A C 2.045 179.479 177.584 -0.249 0.000 1.181 419 A CA 2.448 54.347 52.037 -0.230 0.000 0.627 419 A CB -0.867 18.031 19.000 -0.170 0.000 0.818 419 A HN 0.698 nan 8.150 nan 0.000 0.445 420 N N -1.276 117.254 118.700 -0.283 0.000 2.142 420 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 420 N C 1.984 177.345 175.510 -0.248 0.000 1.023 420 N CA 1.275 54.092 53.050 -0.389 0.000 0.852 420 N CB -0.124 38.033 38.487 -0.551 0.000 0.998 420 N HN 0.418 nan 8.380 nan 0.000 0.424 421 R N 1.168 121.568 120.500 -0.167 0.000 2.075 421 R HA 0.003 4.343 4.340 -0.001 0.000 0.232 421 R C 1.767 178.028 176.300 -0.065 0.000 1.126 421 R CA 1.064 57.108 56.100 -0.094 0.000 0.963 421 R CB -0.749 29.508 30.300 -0.072 0.000 0.858 421 R HN 0.009 nan 8.270 nan 0.000 0.435 422 V N 0.937 120.802 119.914 -0.082 0.000 2.295 422 V HA -0.204 3.915 4.120 -0.001 0.000 0.246 422 V C 2.371 178.417 176.094 -0.080 0.000 1.049 422 V CA 1.966 64.238 62.300 -0.046 0.000 1.024 422 V CB -1.021 30.723 31.823 -0.133 0.000 0.648 422 V HN 0.543 nan 8.190 nan 0.000 0.447 423 A N -0.180 122.542 122.820 -0.163 0.000 1.892 423 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 423 A C 2.191 179.725 177.584 -0.084 0.000 1.188 423 A CA 2.388 54.323 52.037 -0.169 0.000 0.631 423 A CB -0.668 18.187 19.000 -0.242 0.000 0.822 423 A HN 0.464 nan 8.150 nan 0.000 0.447 424 L N 0.034 121.216 121.223 -0.069 0.000 1.994 424 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 424 L C 2.272 179.151 176.870 0.015 0.000 1.071 424 L CA 2.508 57.341 54.840 -0.012 0.000 0.745 424 L CB -0.662 41.396 42.059 -0.001 0.000 0.892 424 L HN 0.522 nan 8.230 nan 0.000 0.431 425 E N -0.425 119.788 120.200 0.022 0.000 2.153 425 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 425 E C 2.113 178.755 176.600 0.069 0.000 0.988 425 E CA 1.001 57.431 56.400 0.049 0.000 0.811 425 E CB -0.273 29.464 29.700 0.062 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.910 123.776 122.820 0.076 0.000 1.902 426 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 426 A C 2.451 180.073 177.584 0.063 0.000 1.181 426 A CA 1.166 53.261 52.037 0.097 0.000 0.623 426 A CB -0.795 18.248 19.000 0.072 0.000 0.818 426 A HN 0.340 nan 8.150 nan 0.000 0.443 427 C N -1.326 117.998 119.300 0.040 0.000 2.446 427 C HA -0.034 4.426 4.460 -0.001 0.000 0.277 427 C C 2.744 177.763 174.990 0.048 0.000 1.275 427 C CA 0.935 59.979 59.018 0.043 0.000 1.727 427 C CB -1.215 26.549 27.740 0.040 0.000 2.010 427 C HN 0.452 nan 8.230 nan 0.000 0.486 428 V N 0.663 120.605 119.914 0.047 0.000 2.295 428 V HA -0.294 3.825 4.120 -0.001 0.000 0.246 428 V C 2.554 178.675 176.094 0.044 0.000 1.049 428 V CA 2.282 64.610 62.300 0.047 0.000 1.024 428 V CB -0.905 30.945 31.823 0.045 0.000 0.648 428 V HN 0.629 nan 8.190 nan 0.000 0.447 429 Q N -0.106 119.722 119.800 0.047 0.000 2.061 429 Q HA -0.243 4.096 4.340 -0.001 0.000 0.204 429 Q C 2.256 178.281 176.000 0.041 0.000 0.984 429 Q CA 2.197 58.025 55.803 0.042 0.000 0.846 429 Q CB -0.304 28.462 28.738 0.047 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.410 124.259 122.820 0.048 0.000 1.883 430 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 430 A C 2.159 179.766 177.584 0.039 0.000 1.186 430 A CA 1.649 53.713 52.037 0.045 0.000 0.624 430 A CB -0.777 18.254 19.000 0.051 0.000 0.822 430 A HN 0.470 nan 8.150 nan 0.000 0.444 431 R N 0.076 120.600 120.500 0.040 0.000 2.083 431 R HA -0.156 4.183 4.340 -0.001 0.000 0.237 431 R C 1.858 178.177 176.300 0.031 0.000 1.137 431 R CA 1.916 58.038 56.100 0.036 0.000 0.951 431 R CB -0.537 29.787 30.300 0.040 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.026 118.745 118.700 0.031 0.000 2.289 432 N HA -0.142 4.598 4.740 -0.001 0.000 0.184 432 N C 1.004 176.528 175.510 0.022 0.000 1.016 432 N CA 0.969 54.035 53.050 0.027 0.000 0.872 432 N CB 0.033 38.536 38.487 0.026 0.000 0.973 432 N HN 0.425 nan 8.380 nan 0.000 0.433 433 E N -0.284 119.930 120.200 0.024 0.000 2.502 433 E HA 0.038 4.387 4.350 -0.001 0.000 0.194 433 E C 0.926 177.538 176.600 0.020 0.000 1.062 433 E CA 0.095 56.507 56.400 0.020 0.000 0.867 433 E CB 0.323 30.036 29.700 0.022 0.000 0.888 433 E HN 0.456 nan 8.360 nan 0.000 0.510 434 G N 1.794 110.607 108.800 0.022 0.000 2.176 434 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.232 434 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.232 434 G C 0.193 175.107 174.900 0.023 0.000 0.986 434 G CA -0.427 44.685 45.100 0.021 0.000 0.643 434 G HN 0.064 nan 8.290 nan 0.000 0.522 435 R N 0.659 121.175 120.500 0.027 0.000 2.594 435 R HA 0.309 4.649 4.340 -0.001 0.000 0.272 435 R C -0.629 175.689 176.300 0.030 0.000 1.074 435 R CA -0.409 55.709 56.100 0.030 0.000 1.105 435 R CB 0.616 30.937 30.300 0.035 0.000 1.008 435 R HN 0.217 nan 8.270 nan 0.000 0.472 436 D N 2.980 123.398 120.400 0.029 0.000 2.339 436 D HA 0.045 4.684 4.640 -0.001 0.000 0.241 436 D C 1.154 177.475 176.300 0.034 0.000 1.183 436 D CA -0.110 53.907 54.000 0.028 0.000 0.859 436 D CB 0.850 41.665 40.800 0.023 0.000 1.067 436 D HN 0.407 nan 8.370 nan 0.000 0.484 437 L N 3.140 124.385 121.223 0.037 0.000 2.201 437 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 437 L C 2.266 179.163 176.870 0.046 0.000 1.105 437 L CA 1.001 55.868 54.840 0.045 0.000 0.775 437 L CB -0.266 41.822 42.059 0.048 0.000 0.913 437 L HN 0.443 nan 8.230 nan 0.000 0.440 438 A N 0.151 122.992 122.820 0.035 0.000 1.897 438 A HA -0.131 4.188 4.320 -0.001 0.000 0.215 438 A C 2.411 180.013 177.584 0.031 0.000 1.181 438 A CA 1.045 53.100 52.037 0.031 0.000 0.620 438 A CB -0.264 18.748 19.000 0.020 0.000 0.821 438 A HN 0.286 nan 8.150 nan 0.000 0.443 439 R N 0.018 120.535 120.500 0.029 0.000 2.062 439 R HA -0.043 4.297 4.340 -0.001 0.000 0.226 439 R C 1.070 177.391 176.300 0.035 0.000 1.125 439 R CA 1.396 57.512 56.100 0.027 0.000 0.966 439 R CB -0.156 30.158 30.300 0.023 0.000 0.861 439 R HN 0.787 nan 8.270 nan 0.000 0.433 440 E N 0.230 120.455 120.200 0.042 0.000 2.609 440 E HA 0.145 4.495 4.350 -0.001 0.000 0.208 440 E C 1.039 177.680 176.600 0.069 0.000 1.013 440 E CA 0.015 56.446 56.400 0.052 0.000 1.093 440 E CB 0.834 30.561 29.700 0.046 0.000 1.129 440 E HN 0.230 nan 8.360 nan 0.000 0.450 441 G N 2.622 111.468 108.800 0.077 0.000 2.491 441 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.218 441 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.218 441 G C 1.423 176.409 174.900 0.144 0.000 1.180 441 G CA 0.961 46.121 45.100 0.099 0.000 0.774 441 G HN 0.204 nan 8.290 nan 0.000 0.562 442 N N 0.392 119.204 118.700 0.186 0.000 2.149 442 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 442 N C 2.372 178.021 175.510 0.233 0.000 1.019 442 N CA 1.642 54.880 53.050 0.313 0.000 0.857 442 N CB -0.805 37.807 38.487 0.208 0.000 0.997 442 N HN 0.286 nan 8.380 nan 0.000 0.426 443 T N 1.286 115.921 114.554 0.135 0.000 2.746 443 T HA -0.008 4.342 4.350 -0.001 0.000 0.267 443 T C 2.057 176.807 174.700 0.084 0.000 1.039 443 T CA 0.740 62.899 62.100 0.099 0.000 1.142 443 T CB -0.229 68.682 68.868 0.072 0.000 0.866 443 T HN 0.193 nan 8.240 nan 0.000 0.444 444 I N 0.713 121.329 120.570 0.077 0.000 2.226 444 I HA -0.152 4.018 4.170 -0.001 0.000 0.245 444 I C 2.197 178.324 176.117 0.015 0.000 1.100 444 I CA 0.939 62.273 61.300 0.056 0.000 1.374 444 I CB -0.359 37.674 38.000 0.054 0.000 1.057 444 I HN 0.188 nan 8.210 nan 0.000 0.413 445 I N 0.674 121.239 120.570 -0.009 0.000 2.163 445 I HA -0.223 3.946 4.170 -0.001 0.000 0.240 445 I C 2.656 178.681 176.117 -0.153 0.000 1.081 445 I CA 1.589 62.796 61.300 -0.156 0.000 1.353 445 I CB -1.268 36.527 38.000 -0.342 0.000 1.054 445 I HN 0.227 nan 8.210 nan 0.000 0.407 446 R N 0.675 121.170 120.500 -0.008 0.000 2.105 446 R HA -0.192 4.147 4.340 -0.001 0.000 0.239 446 R C 2.140 178.428 176.300 -0.021 0.000 1.135 446 R CA 1.400 57.514 56.100 0.023 0.000 0.967 446 R CB -0.266 30.109 30.300 0.126 0.000 0.861 446 R HN 0.495 nan 8.270 nan 0.000 0.442 447 E N 0.281 120.487 120.200 0.009 0.000 2.085 447 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 447 E C 1.998 178.594 176.600 -0.007 0.000 0.994 447 E CA 1.255 57.681 56.400 0.042 0.000 0.801 447 E CB -0.110 29.644 29.700 0.090 0.000 0.743 447 E HN 0.395 nan 8.360 nan 0.000 0.453 448 A N 1.170 123.909 122.820 -0.135 0.000 2.014 448 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 448 A C 2.393 179.485 177.584 -0.820 0.000 1.163 448 A CA 1.739 53.466 52.037 -0.517 0.000 0.652 448 A CB -0.850 17.903 19.000 -0.412 0.000 0.808 448 A HN 0.395 nan 8.150 nan 0.000 0.449 449 T N -1.596 112.694 114.554 -0.439 0.000 2.915 449 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 449 T C 1.607 176.150 174.700 -0.263 0.000 1.071 449 T CA 1.306 63.192 62.100 -0.358 0.000 1.132 449 T CB -0.310 68.431 68.868 -0.212 0.000 0.878 449 T HN 0.458 nan 8.240 nan 0.000 0.479 450 K N 0.768 121.063 120.400 -0.175 0.000 2.280 450 K HA -0.045 4.274 4.320 -0.001 0.000 0.202 450 K C 1.949 178.591 176.600 0.069 0.000 1.047 450 K CA 1.298 57.575 56.287 -0.017 0.000 0.942 450 K CB -0.213 32.330 32.500 0.071 0.000 0.739 450 K HN 0.852 nan 8.250 nan 0.000 0.457 451 W N -0.500 120.800 121.300 -0.000 0.000 2.725 451 W HA 0.333 4.993 4.660 0.000 0.000 0.336 451 W C -0.056 176.465 176.519 0.004 0.000 1.012 451 W CA -0.450 56.897 57.345 0.004 0.000 1.566 451 W CB 0.093 29.554 29.460 0.001 0.000 1.068 451 W HN -0.194 nan 8.180 nan 0.000 0.546 452 S N 2.793 118.222 115.700 -0.452 0.000 2.601 452 S HA 0.401 4.871 4.470 -0.001 0.000 0.312 452 S C -1.654 172.815 174.600 -0.218 0.000 1.107 452 S CA -1.264 56.711 58.200 -0.375 0.000 1.129 452 S CB 1.436 64.164 63.200 -0.788 0.000 0.982 452 S HN -0.303 nan 8.310 nan 0.000 0.469 453 P HA -0.068 nan 4.420 nan 0.000 0.217 453 P C 0.957 178.146 177.300 -0.185 0.000 1.150 453 P CA 1.002 64.121 63.100 0.032 0.000 0.832 453 P CB 0.238 32.108 31.700 0.283 0.000 0.787 454 E N -0.666 119.431 120.200 -0.172 0.000 2.058 454 E HA -0.174 4.176 4.350 -0.001 0.000 0.194 454 E C 1.848 178.270 176.600 -0.296 0.000 0.997 454 E CA 0.922 57.118 56.400 -0.340 0.000 0.801 454 E CB -1.277 28.314 29.700 -0.183 0.000 0.746 454 E HN 0.116 nan 8.360 nan 0.000 0.450 455 L N 0.304 121.354 121.223 -0.288 0.000 2.056 455 L HA -0.000 4.339 4.340 -0.001 0.000 0.207 455 L C 2.028 178.715 176.870 -0.304 0.000 1.078 455 L CA 1.926 56.583 54.840 -0.304 0.000 0.749 455 L CB -0.872 40.951 42.059 -0.393 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.255 122.391 122.820 -0.290 0.000 1.883 456 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 456 A C 2.468 179.903 177.584 -0.250 0.000 1.186 456 A CA 2.050 53.953 52.037 -0.224 0.000 0.624 456 A CB -1.263 17.645 19.000 -0.153 0.000 0.822 456 A HN 0.575 nan 8.150 nan 0.000 0.444 457 A N -0.331 122.256 122.820 -0.388 0.000 1.933 457 A HA 0.149 4.468 4.320 -0.001 0.000 0.218 457 A C 2.492 179.731 177.584 -0.574 0.000 1.175 457 A CA 2.163 53.867 52.037 -0.554 0.000 0.628 457 A CB -0.956 17.363 19.000 -1.136 0.000 0.814 457 A HN 1.064 nan 8.150 nan 0.000 0.444 458 A N -0.990 121.559 122.820 -0.452 0.000 1.873 458 A HA -0.155 4.164 4.320 -0.001 0.000 0.215 458 A C 2.280 179.772 177.584 -0.153 0.000 1.186 458 A CA 1.603 53.465 52.037 -0.291 0.000 0.616 458 A CB -1.300 17.723 19.000 0.038 0.000 0.823 458 A HN 0.598 nan 8.150 nan 0.000 0.442 459 C N -0.294 118.917 119.300 -0.149 0.000 2.411 459 C HA -0.063 4.396 4.460 -0.001 0.000 0.279 459 C C 2.622 177.698 174.990 0.145 0.000 1.288 459 C CA 1.082 60.118 59.018 0.029 0.000 1.764 459 C CB -1.080 26.616 27.740 -0.075 0.000 1.974 459 C HN 0.564 nan 8.230 nan 0.000 0.498 460 E N 0.500 120.667 120.200 -0.056 0.000 2.150 460 E HA -0.102 4.248 4.350 -0.001 0.000 0.193 460 E C 2.273 178.785 176.600 -0.147 0.000 0.985 460 E CA 1.004 57.357 56.400 -0.078 0.000 0.814 460 E CB -0.290 29.332 29.700 -0.130 0.000 0.752 460 E HN 0.528 nan 8.360 nan 0.000 0.466 461 V N -0.387 119.341 119.914 -0.309 0.000 2.446 461 V HA -0.117 4.003 4.120 -0.001 0.000 0.244 461 V C 1.973 177.783 176.094 -0.472 0.000 1.039 461 V CA 1.077 63.065 62.300 -0.520 0.000 1.045 461 V CB -0.293 30.933 31.823 -0.995 0.000 0.681 461 V HN 0.290 nan 8.190 nan 0.000 0.459 462 W N -0.064 121.182 121.300 -0.089 0.000 2.588 462 W HA 0.293 4.953 4.660 -0.001 0.000 0.277 462 W C 1.434 177.884 176.519 -0.115 0.000 1.221 462 W CA -0.182 57.049 57.345 -0.191 0.000 1.355 462 W CB -0.109 29.032 29.460 -0.532 0.000 1.083 462 W HN 0.125 nan 8.180 nan 0.000 0.581 463 K N 0.000 120.551 120.400 0.252 0.000 2.780 463 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 463 K CA 0.000 56.207 56.287 -0.133 0.000 0.838 463 K CB 0.000 32.100 32.500 -0.667 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543