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 2omy_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE TSLQQLNFGN QVTDLKPLAN LTTLERLDIS SNKVSDISVL AKLTNLESLI DATA SEQUENCE ATNNQISDIT PLGILTNLDE LSLNGNQLKD IGTLASLTNL TDLDLANNQI DATA SEQUENCE SNLAPLSGLT KLTELKLGAN QISNISPLAG LTALTNLELN ENQLEDISPI DATA SEQUENCE SNLKNLTYLT LYFNNISDIS PVSSLTKLQR LFFYNNKVSD VSSLANLTNI DATA SEQUENCE NWLSAGHNQI SDLTPLANLT RITQLGLNDQ AWTNAPVNYK ANVSIPNTVK DATA SEQUENCE NVTGALIAPA TISDGGSYTE PDITWNLPSY TNEVSYTFSQ PVTIGKGTTT DATA SEQUENCE FSGTVTQPLK A 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 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.652 177.584 0.113 0.000 1.274 36 A CA 0.000 51.960 52.037 -0.128 0.000 0.836 36 A CB 0.000 18.695 19.000 -0.508 0.000 0.831 37 T N 1.547 116.273 114.554 0.286 0.000 3.032 37 T HA 0.622 4.972 4.350 0.000 0.000 0.312 37 T C -0.312 174.482 174.700 0.157 0.000 1.078 37 T CA -0.302 61.951 62.100 0.256 0.000 1.028 37 T CB 0.504 69.441 68.868 0.115 0.000 1.091 37 T HN 1.639 nan 8.240 nan 0.000 0.457 38 I N 3.403 123.977 120.570 0.007 0.000 2.396 38 I HA 0.475 4.645 4.170 0.000 0.000 0.289 38 I C 1.133 177.222 176.117 -0.048 0.000 1.056 38 I CA -0.449 60.770 61.300 -0.134 0.000 1.365 38 I CB 1.246 39.069 38.000 -0.295 0.000 1.407 38 I HN 0.789 nan 8.210 nan 0.000 0.509 39 T N 1.725 116.256 114.554 -0.038 0.000 3.060 39 T HA 0.157 4.507 4.350 0.000 0.000 0.249 39 T C 0.458 175.144 174.700 -0.024 0.000 1.079 39 T CA 0.155 62.245 62.100 -0.018 0.000 1.013 39 T CB -0.108 68.756 68.868 -0.006 0.000 0.975 39 T HN 0.864 nan 8.240 nan 0.000 0.518 40 Q N 0.049 119.824 119.800 -0.040 0.000 2.418 40 Q HA 0.451 4.791 4.340 0.000 0.000 0.282 40 Q C -2.103 173.869 176.000 -0.048 0.000 1.044 40 Q CA -1.060 54.722 55.803 -0.036 0.000 0.813 40 Q CB 0.908 29.628 28.738 -0.030 0.000 1.428 40 Q HN -0.133 nan 8.270 nan 0.000 0.402 41 D N 2.380 122.758 120.400 -0.035 0.000 2.479 41 D HA 0.117 4.757 4.640 0.000 0.000 0.257 41 D C -0.765 175.509 176.300 -0.044 0.000 1.230 41 D CA 0.980 54.959 54.000 -0.034 0.000 0.912 41 D CB 0.596 41.384 40.800 -0.020 0.000 1.130 41 D HN 0.431 nan 8.370 nan 0.000 0.515 42 T N 3.518 118.035 114.554 -0.061 0.000 2.841 42 T HA 0.424 4.774 4.350 0.000 0.000 0.283 42 T C -2.485 172.182 174.700 -0.054 0.000 1.000 42 T CA -1.616 60.440 62.100 -0.074 0.000 0.977 42 T CB 1.994 70.779 68.868 -0.138 0.000 0.979 42 T HN 0.008 nan 8.240 nan 0.000 0.446 43 P HA 0.189 nan 4.420 nan 0.000 0.265 43 P C 0.862 178.164 177.300 0.003 0.000 1.193 43 P CA -0.038 63.056 63.100 -0.010 0.000 0.765 43 P CB 0.390 32.086 31.700 -0.007 0.000 0.823 44 I N 2.352 122.953 120.570 0.052 0.000 2.194 44 I HA -0.322 3.848 4.170 0.000 0.000 0.246 44 I C 2.012 178.226 176.117 0.163 0.000 1.093 44 I CA 1.751 63.140 61.300 0.148 0.000 1.355 44 I CB -0.561 37.536 38.000 0.161 0.000 1.046 44 I HN 0.495 nan 8.210 nan 0.000 0.413 45 N N 0.961 119.719 118.700 0.096 0.000 2.512 45 N HA -0.202 4.538 4.740 0.000 0.000 0.183 45 N C 1.436 176.973 175.510 0.045 0.000 1.073 45 N CA 1.109 54.210 53.050 0.084 0.000 0.911 45 N CB -0.392 38.130 38.487 0.058 0.000 0.964 45 N HN 0.541 nan 8.380 nan 0.000 0.447 46 Q N -0.390 119.413 119.800 0.004 0.000 2.402 46 Q HA 0.274 4.614 4.340 0.000 0.000 0.206 46 Q C 1.673 177.616 176.000 -0.095 0.000 0.919 46 Q CA 0.254 56.035 55.803 -0.036 0.000 0.923 46 Q CB 0.478 29.190 28.738 -0.044 0.000 1.048 46 Q HN 0.429 nan 8.270 nan 0.000 0.515 47 I N -0.558 119.912 120.570 -0.168 0.000 2.364 47 I HA -0.065 4.105 4.170 0.000 0.000 0.241 47 I C 0.111 175.962 176.117 -0.443 0.000 1.082 47 I CA 0.575 61.630 61.300 -0.408 0.000 1.401 47 I CB 0.287 37.889 38.000 -0.663 0.000 1.126 47 I HN -0.021 nan 8.210 nan 0.000 0.429 48 F N 1.834 121.811 119.950 0.046 0.000 2.334 48 F HA 0.146 4.673 4.527 0.000 0.000 0.365 48 F C 1.685 177.506 175.800 0.035 0.000 1.124 48 F CA -0.622 57.410 58.000 0.055 0.000 1.166 48 F CB 0.324 39.360 39.000 0.060 0.000 1.355 48 F HN -0.012 nan 8.300 nan 0.000 0.532 49 T N -2.381 112.249 114.554 0.126 0.000 2.951 49 T HA -0.136 4.214 4.350 0.000 0.000 0.268 49 T C 0.649 175.398 174.700 0.081 0.000 1.073 49 T CA 0.356 62.503 62.100 0.078 0.000 1.134 49 T CB -0.124 68.768 68.868 0.040 0.000 0.884 49 T HN 0.455 nan 8.240 nan 0.000 0.479 50 D N 1.343 121.804 120.400 0.101 0.000 2.371 50 D HA 0.069 4.709 4.640 0.000 0.000 0.256 50 D C 0.750 177.101 176.300 0.085 0.000 1.193 50 D CA 0.115 54.161 54.000 0.078 0.000 0.881 50 D CB 1.473 42.317 40.800 0.073 0.000 1.143 50 D HN 0.086 nan 8.370 nan 0.000 0.473 51 T N 3.554 118.143 114.554 0.059 0.000 2.635 51 T HA -0.216 4.134 4.350 0.000 0.000 0.267 51 T C 1.782 176.511 174.700 0.047 0.000 1.040 51 T CA 1.977 64.107 62.100 0.051 0.000 1.156 51 T CB -0.141 68.748 68.868 0.035 0.000 0.863 51 T HN 0.651 nan 8.240 nan 0.000 0.430 52 A N 0.727 123.572 122.820 0.043 0.000 1.933 52 A HA -0.023 4.297 4.320 0.000 0.000 0.218 52 A C 2.218 179.824 177.584 0.036 0.000 1.175 52 A CA 1.319 53.378 52.037 0.036 0.000 0.628 52 A CB -0.693 18.329 19.000 0.038 0.000 0.814 52 A HN 0.416 nan 8.150 nan 0.000 0.444 53 L N -0.582 120.677 121.223 0.060 0.000 2.109 53 L HA 0.095 4.435 4.340 0.000 0.000 0.207 53 L C 2.634 179.492 176.870 -0.019 0.000 1.086 53 L CA 1.800 56.667 54.840 0.044 0.000 0.760 53 L CB -0.795 41.335 42.059 0.118 0.000 0.910 53 L HN 0.329 nan 8.230 nan 0.000 0.437 54 A N -0.645 122.214 122.820 0.065 0.000 1.902 54 A HA -0.242 4.079 4.320 0.000 0.000 0.217 54 A C 2.246 179.834 177.584 0.007 0.000 1.181 54 A CA 1.713 53.798 52.037 0.080 0.000 0.623 54 A CB -0.658 18.417 19.000 0.125 0.000 0.818 54 A HN 0.500 nan 8.150 nan 0.000 0.443 55 E N 0.313 120.516 120.200 0.005 0.000 2.077 55 E HA -0.218 4.132 4.350 0.000 0.000 0.193 55 E C 1.963 178.542 176.600 -0.035 0.000 0.989 55 E CA 1.913 58.309 56.400 -0.007 0.000 0.800 55 E CB -0.199 29.501 29.700 0.001 0.000 0.746 55 E HN 0.445 nan 8.360 nan 0.000 0.452 56 K N -0.146 120.222 120.400 -0.054 0.000 2.002 56 K HA -0.094 4.226 4.320 0.000 0.000 0.209 56 K C 1.953 178.476 176.600 -0.128 0.000 1.048 56 K CA 1.939 58.176 56.287 -0.084 0.000 0.930 56 K CB -0.379 32.068 32.500 -0.088 0.000 0.714 56 K HN 0.147 nan 8.250 nan 0.000 0.438 57 M N 1.316 120.792 119.600 -0.207 0.000 2.213 57 M HA -0.124 4.356 4.480 0.000 0.000 0.263 57 M C 2.048 178.277 176.300 -0.119 0.000 1.062 57 M CA 1.577 56.711 55.300 -0.277 0.000 1.105 57 M CB -1.000 31.201 32.600 -0.664 0.000 1.385 57 M HN 0.286 nan 8.290 nan 0.000 0.417 58 K N 0.117 120.479 120.400 -0.063 0.000 2.032 58 K HA -0.160 4.160 4.320 0.000 0.000 0.209 58 K C 1.730 178.314 176.600 -0.027 0.000 1.048 58 K CA 2.015 58.290 56.287 -0.020 0.000 0.927 58 K CB -0.067 32.431 32.500 -0.005 0.000 0.712 58 K HN 0.267 nan 8.250 nan 0.000 0.441 59 T N 1.023 115.554 114.554 -0.039 0.000 2.737 59 T HA -0.087 4.263 4.350 0.000 0.000 0.265 59 T C 1.953 176.628 174.700 -0.041 0.000 1.038 59 T CA 1.340 63.418 62.100 -0.036 0.000 1.144 59 T CB -0.168 68.677 68.868 -0.038 0.000 0.866 59 T HN 0.021 nan 8.240 nan 0.000 0.434 60 V N 1.546 121.423 119.914 -0.061 0.000 2.392 60 V HA -0.097 4.023 4.120 0.000 0.000 0.249 60 V C 2.160 178.232 176.094 -0.036 0.000 1.059 60 V CA 1.500 63.764 62.300 -0.060 0.000 1.051 60 V CB -0.592 31.175 31.823 -0.093 0.000 0.658 60 V HN 0.464 nan 8.190 nan 0.000 0.455 61 L N 0.077 121.283 121.223 -0.028 0.000 2.592 61 L HA 0.330 4.670 4.340 0.000 0.000 0.227 61 L C 1.679 178.548 176.870 -0.001 0.000 1.127 61 L CA 0.713 55.550 54.840 -0.004 0.000 0.884 61 L CB -0.408 41.659 42.059 0.015 0.000 1.065 61 L HN 0.524 nan 8.230 nan 0.000 0.457 62 G N 0.019 108.814 108.800 -0.008 0.000 2.153 62 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 62 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 62 G C 0.276 175.175 174.900 -0.002 0.000 0.994 62 G CA 0.103 45.200 45.100 -0.005 0.000 0.698 62 G HN 0.179 nan 8.290 nan 0.000 0.521 63 K N -0.259 120.141 120.400 -0.000 0.000 2.090 63 K HA 0.675 4.995 4.320 0.000 0.000 0.249 63 K C 1.495 178.095 176.600 0.001 0.000 0.995 63 K CA 0.050 56.339 56.287 0.004 0.000 0.914 63 K CB 1.063 33.570 32.500 0.011 0.000 1.057 63 K HN 0.349 nan 8.250 nan 0.000 0.462 64 T N -2.794 111.762 114.554 0.003 0.000 3.023 64 T HA 0.124 4.474 4.350 0.000 0.000 0.253 64 T C 0.193 174.896 174.700 0.004 0.000 1.038 64 T CA -0.029 62.072 62.100 0.002 0.000 0.962 64 T CB 0.111 68.979 68.868 0.001 0.000 1.018 64 T HN 0.396 nan 8.240 nan 0.000 0.521 65 N N 0.767 119.472 118.700 0.008 0.000 2.264 65 N HA 0.257 4.997 4.740 0.000 0.000 0.288 65 N C 1.090 176.610 175.510 0.017 0.000 1.094 65 N CA -0.081 52.976 53.050 0.011 0.000 0.817 65 N CB 2.667 41.160 38.487 0.010 0.000 1.604 65 N HN 0.028 nan 8.380 nan 0.000 0.473 66 V N 0.524 120.451 119.914 0.022 0.000 2.759 66 V HA -0.093 4.027 4.120 0.000 0.000 0.256 66 V C 1.886 178.003 176.094 0.038 0.000 1.080 66 V CA 2.162 64.483 62.300 0.035 0.000 1.101 66 V CB -1.294 30.553 31.823 0.040 0.000 0.698 66 V HN 0.815 nan 8.190 nan 0.000 0.477 67 T N -3.073 111.496 114.554 0.025 0.000 3.088 67 T HA 0.026 4.376 4.350 0.000 0.000 0.259 67 T C 0.489 175.198 174.700 0.015 0.000 1.122 67 T CA 0.183 62.294 62.100 0.018 0.000 1.095 67 T CB -0.694 68.181 68.868 0.012 0.000 0.930 67 T HN 0.488 nan 8.240 nan 0.000 0.508 68 D N 3.777 124.187 120.400 0.017 0.000 2.488 68 D HA 0.159 4.799 4.640 0.000 0.000 0.238 68 D C 0.697 177.006 176.300 0.015 0.000 1.138 68 D CA 0.521 54.529 54.000 0.013 0.000 0.873 68 D CB 1.064 41.872 40.800 0.014 0.000 1.183 68 D HN 0.532 nan 8.370 nan 0.000 0.458 69 T N -1.562 112.996 114.554 0.006 0.000 2.913 69 T HA 0.559 4.909 4.350 0.000 0.000 0.287 69 T C 0.298 175.001 174.700 0.004 0.000 1.008 69 T CA -0.862 61.238 62.100 -0.000 0.000 1.067 69 T CB 1.142 70.004 68.868 -0.009 0.000 0.996 69 T HN 0.220 nan 8.240 nan 0.000 0.513 70 V N -1.146 118.768 119.914 -0.001 0.000 3.040 70 V HA 0.871 4.992 4.120 0.000 0.000 0.312 70 V C -0.100 175.984 176.094 -0.017 0.000 1.115 70 V CA -0.953 61.350 62.300 0.005 0.000 0.998 70 V CB 1.593 33.437 31.823 0.036 0.000 1.042 70 V HN 1.020 nan 8.190 nan 0.000 0.433 71 S N -0.328 115.367 115.700 -0.008 0.000 2.767 71 S HA 0.407 4.877 4.470 0.000 0.000 0.300 71 S C 0.648 175.243 174.600 -0.009 0.000 1.123 71 S CA -0.056 58.134 58.200 -0.017 0.000 0.992 71 S CB 1.822 65.018 63.200 -0.007 0.000 1.138 71 S HN 0.999 nan 8.310 nan 0.000 0.550 72 Q N 0.762 120.557 119.800 -0.007 0.000 2.119 72 Q HA -0.082 4.259 4.340 0.000 0.000 0.201 72 Q C 1.954 177.973 176.000 0.032 0.000 0.972 72 Q CA 2.718 58.531 55.803 0.017 0.000 0.847 72 Q CB -1.003 27.750 28.738 0.025 0.000 0.903 72 Q HN 0.892 nan 8.270 nan 0.000 0.433 73 T N -1.585 112.983 114.554 0.023 0.000 2.759 73 T HA -0.158 4.192 4.350 0.000 0.000 0.269 73 T C 1.242 175.959 174.700 0.029 0.000 1.042 73 T CA 1.393 63.508 62.100 0.025 0.000 1.140 73 T CB -0.412 68.467 68.868 0.017 0.000 0.864 73 T HN 0.218 nan 8.240 nan 0.000 0.455 74 D N 1.670 122.087 120.400 0.029 0.000 2.097 74 D HA 0.023 4.663 4.640 0.000 0.000 0.197 74 D C 2.182 178.514 176.300 0.053 0.000 0.984 74 D CA 0.873 54.894 54.000 0.034 0.000 0.826 74 D CB -0.376 40.444 40.800 0.033 0.000 0.973 74 D HN 0.378 nan 8.370 nan 0.000 0.460 75 L N 0.885 122.150 121.223 0.070 0.000 2.201 75 L HA -0.132 4.208 4.340 0.000 0.000 0.212 75 L C 1.693 178.620 176.870 0.095 0.000 1.105 75 L CA 0.798 55.704 54.840 0.111 0.000 0.775 75 L CB -0.260 41.883 42.059 0.141 0.000 0.913 75 L HN -0.113 nan 8.230 nan 0.000 0.440 76 D N -0.411 120.030 120.400 0.070 0.000 2.310 76 D HA -0.133 4.507 4.640 0.000 0.000 0.212 76 D C 2.192 178.519 176.300 0.045 0.000 0.965 76 D CA 0.699 54.733 54.000 0.058 0.000 0.879 76 D CB 0.007 40.834 40.800 0.045 0.000 0.921 76 D HN 0.287 nan 8.370 nan 0.000 0.510 77 Q N 0.014 119.838 119.800 0.040 0.000 2.369 77 Q HA 0.029 4.369 4.340 0.000 0.000 0.206 77 Q C 0.396 176.412 176.000 0.026 0.000 0.963 77 Q CA 0.175 55.995 55.803 0.028 0.000 0.894 77 Q CB 0.111 28.861 28.738 0.022 0.000 0.965 77 Q HN 0.147 nan 8.270 nan 0.000 0.475 78 V N 2.679 122.616 119.914 0.038 0.000 2.356 78 V HA 0.068 4.188 4.120 0.000 0.000 0.258 78 V C 1.361 177.475 176.094 0.033 0.000 1.065 78 V CA 0.567 62.885 62.300 0.031 0.000 0.935 78 V CB 0.474 32.324 31.823 0.045 0.000 1.061 78 V HN 0.320 nan 8.190 nan 0.000 0.484 79 T N -0.206 114.359 114.554 0.017 0.000 3.014 79 T HA 0.109 4.459 4.350 0.000 0.000 0.250 79 T C 0.777 175.481 174.700 0.007 0.000 1.060 79 T CA 0.531 62.641 62.100 0.017 0.000 1.040 79 T CB 0.564 69.440 68.868 0.013 0.000 0.971 79 T HN 0.589 nan 8.240 nan 0.000 0.497 80 T N 0.907 115.455 114.554 -0.009 0.000 2.893 80 T HA 0.650 5.000 4.350 0.000 0.000 0.293 80 T C -2.168 172.495 174.700 -0.061 0.000 1.027 80 T CA -0.817 61.264 62.100 -0.031 0.000 0.988 80 T CB 1.668 70.516 68.868 -0.033 0.000 1.043 80 T HN 0.210 nan 8.240 nan 0.000 0.461 81 L N 4.509 125.669 121.223 -0.106 0.000 2.491 81 L HA 0.548 4.888 4.340 0.000 0.000 0.267 81 L C -1.226 175.469 176.870 -0.292 0.000 0.971 81 L CA -0.285 54.442 54.840 -0.189 0.000 0.857 81 L CB 1.945 43.894 42.059 -0.184 0.000 1.226 81 L HN 0.556 nan 8.230 nan 0.000 0.408 82 Q N 4.923 124.576 119.800 -0.245 0.000 2.569 82 Q HA 0.555 4.896 4.340 0.000 0.000 0.226 82 Q C 0.215 176.051 176.000 -0.274 0.000 1.136 82 Q CA 0.118 55.778 55.803 -0.238 0.000 0.947 82 Q CB 1.416 30.069 28.738 -0.142 0.000 1.218 82 Q HN 0.671 nan 8.270 nan 0.000 0.547 83 A N 2.303 124.855 122.820 -0.446 0.000 2.713 83 A HA 0.145 4.465 4.320 0.000 0.000 0.296 83 A C 0.068 177.527 177.584 -0.208 0.000 1.255 83 A CA -0.603 51.205 52.037 -0.382 0.000 0.955 83 A CB -0.005 18.650 19.000 -0.575 0.000 1.149 83 A HN 0.487 nan 8.150 nan 0.000 0.538 84 D N -0.372 119.934 120.400 -0.157 0.000 2.339 84 D HA 0.198 4.838 4.640 0.000 0.000 0.245 84 D C 0.031 176.315 176.300 -0.026 0.000 1.115 84 D CA -0.329 53.635 54.000 -0.060 0.000 0.917 84 D CB 0.430 41.192 40.800 -0.062 0.000 1.192 84 D HN 0.273 nan 8.370 nan 0.000 0.428 85 R N 0.170 120.670 120.500 0.001 0.000 3.531 85 R HA -0.155 4.185 4.340 0.000 0.000 0.280 85 R C 0.129 176.433 176.300 0.008 0.000 1.130 85 R CA 0.338 56.441 56.100 0.004 0.000 0.757 85 R CB -2.149 28.148 30.300 -0.005 0.000 1.218 85 R HN 0.550 nan 8.270 nan 0.000 0.454 86 L N -1.073 120.163 121.223 0.023 0.000 2.906 86 L HA 0.260 4.600 4.340 0.000 0.000 0.255 86 L C 1.410 178.299 176.870 0.032 0.000 1.166 86 L CA 0.426 55.280 54.840 0.024 0.000 0.977 86 L CB 1.088 43.162 42.059 0.024 0.000 1.313 86 L HN 0.506 nan 8.230 nan 0.000 0.549 87 G N 1.540 110.360 108.800 0.033 0.000 2.198 87 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 87 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 87 G C 0.205 175.127 174.900 0.035 0.000 1.025 87 G CA 0.004 45.121 45.100 0.029 0.000 0.769 87 G HN 0.327 nan 8.290 nan 0.000 0.507 88 I N -0.429 120.174 120.570 0.054 0.000 2.496 88 I HA 0.192 4.362 4.170 0.000 0.000 0.285 88 I C 1.471 177.601 176.117 0.021 0.000 1.080 88 I CA 0.141 61.473 61.300 0.055 0.000 1.404 88 I CB 1.116 39.182 38.000 0.111 0.000 1.403 88 I HN 0.080 nan 8.210 nan 0.000 0.539 89 K N 2.686 123.090 120.400 0.007 0.000 2.365 89 K HA 0.153 4.473 4.320 0.000 0.000 0.195 89 K C 0.397 176.978 176.600 -0.033 0.000 1.079 89 K CA 0.279 56.559 56.287 -0.011 0.000 0.979 89 K CB 0.639 33.138 32.500 -0.002 0.000 0.929 89 K HN 0.552 nan 8.250 nan 0.000 0.523 90 S N 0.616 116.296 115.700 -0.033 0.000 2.547 90 S HA 0.356 4.826 4.470 0.000 0.000 0.281 90 S C -0.090 174.470 174.600 -0.068 0.000 1.118 90 S CA -0.874 57.296 58.200 -0.049 0.000 0.947 90 S CB 1.050 64.242 63.200 -0.014 0.000 1.053 90 S HN 0.281 nan 8.310 nan 0.000 0.482 91 I N 0.118 120.606 120.570 -0.136 0.000 3.891 91 I HA 0.475 4.645 4.170 0.000 0.000 0.331 91 I C -0.444 175.666 176.117 -0.012 0.000 1.406 91 I CA -0.579 60.624 61.300 -0.163 0.000 1.139 91 I CB -0.192 37.504 38.000 -0.507 0.000 1.056 91 I HN 0.299 nan 8.210 nan 0.000 0.399 92 D N 3.004 123.408 120.400 0.008 0.000 2.533 92 D HA 0.285 4.925 4.640 0.000 0.000 0.236 92 D C 1.345 177.685 176.300 0.067 0.000 1.137 92 D CA 1.852 55.862 54.000 0.016 0.000 0.867 92 D CB 1.154 41.960 40.800 0.009 0.000 1.170 92 D HN 0.574 nan 8.370 nan 0.000 0.474 93 G N 0.727 109.527 108.800 -0.000 0.000 2.284 93 G HA2 -0.332 3.628 3.960 0.000 0.000 0.216 93 G HA3 -0.332 3.628 3.960 0.000 0.000 0.216 93 G C 1.212 176.151 174.900 0.064 0.000 1.009 93 G CA 0.187 45.187 45.100 -0.166 0.000 0.625 93 G HN 0.701 nan 8.290 nan 0.000 0.501 94 V N -0.727 119.357 119.914 0.282 0.000 2.982 94 V HA 0.107 4.227 4.120 0.000 0.000 0.265 94 V C 1.954 178.146 176.094 0.163 0.000 1.122 94 V CA 2.738 65.247 62.300 0.349 0.000 1.143 94 V CB -0.476 31.488 31.823 0.235 0.000 0.726 94 V HN 0.541 nan 8.190 nan 0.000 0.507 95 E N -0.440 119.747 120.200 -0.023 0.000 2.122 95 E HA -0.035 4.315 4.350 0.000 0.000 0.190 95 E C 1.849 178.343 176.600 -0.177 0.000 0.977 95 E CA 1.104 57.393 56.400 -0.184 0.000 0.820 95 E CB -0.190 29.264 29.700 -0.409 0.000 0.770 95 E HN 0.773 nan 8.360 nan 0.000 0.462 96 Y N 0.372 120.669 120.300 -0.005 0.000 2.574 96 Y HA -0.023 4.527 4.550 0.000 0.000 0.294 96 Y C 0.755 176.690 175.900 0.059 0.000 1.142 96 Y CA 0.440 58.540 58.100 -0.000 0.000 1.314 96 Y CB -0.069 38.352 38.460 -0.065 0.000 0.991 96 Y HN -0.044 nan 8.280 nan 0.000 0.555 97 L N 1.240 122.599 121.223 0.227 0.000 2.480 97 L HA 0.094 4.434 4.340 0.000 0.000 0.243 97 L C 1.224 178.165 176.870 0.119 0.000 1.315 97 L CA -0.154 54.801 54.840 0.192 0.000 1.231 97 L CB -0.306 41.889 42.059 0.227 0.000 1.444 97 L HN 0.135 nan 8.230 nan 0.000 0.409 98 N N 1.399 120.160 118.700 0.101 0.000 2.348 98 N HA -0.170 4.570 4.740 0.000 0.000 0.185 98 N C 1.124 176.665 175.510 0.052 0.000 1.019 98 N CA 1.232 54.320 53.050 0.064 0.000 0.880 98 N CB 0.199 38.724 38.487 0.064 0.000 0.965 98 N HN 0.374 nan 8.380 nan 0.000 0.437 99 N N -0.232 118.502 118.700 0.058 0.000 2.214 99 N HA 0.117 4.857 4.740 0.000 0.000 0.214 99 N C -0.591 174.945 175.510 0.043 0.000 1.132 99 N CA -0.097 52.980 53.050 0.045 0.000 0.856 99 N CB 0.370 38.881 38.487 0.041 0.000 1.020 99 N HN 0.264 nan 8.380 nan 0.000 0.509 100 L N 1.325 122.581 121.223 0.054 0.000 2.462 100 L HA 0.032 4.372 4.340 0.000 0.000 0.272 100 L C 1.694 178.588 176.870 0.040 0.000 1.166 100 L CA 0.321 55.193 54.840 0.052 0.000 0.880 100 L CB 0.767 42.871 42.059 0.076 0.000 1.142 100 L HN 0.190 nan 8.230 nan 0.000 0.473 101 T N -0.468 114.104 114.554 0.029 0.000 2.999 101 T HA 0.164 4.514 4.350 0.000 0.000 0.247 101 T C 0.556 175.269 174.700 0.021 0.000 1.012 101 T CA -0.127 61.987 62.100 0.023 0.000 1.048 101 T CB 0.462 69.340 68.868 0.017 0.000 1.020 101 T HN 0.565 nan 8.240 nan 0.000 0.478 102 Q N 1.163 120.972 119.800 0.014 0.000 2.305 102 Q HA 0.676 5.016 4.340 0.000 0.000 0.271 102 Q C -1.278 174.716 176.000 -0.010 0.000 1.046 102 Q CA -0.867 54.939 55.803 0.006 0.000 0.798 102 Q CB 3.043 31.778 28.738 -0.005 0.000 1.286 102 Q HN 0.646 nan 8.270 nan 0.000 0.435 103 I N -0.734 119.834 120.570 -0.003 0.000 2.730 103 I HA 0.666 4.836 4.170 0.000 0.000 0.298 103 I C -1.102 174.969 176.117 -0.076 0.000 1.089 103 I CA -0.921 60.350 61.300 -0.048 0.000 1.041 103 I CB 2.319 40.382 38.000 0.105 0.000 1.235 103 I HN 0.373 nan 8.210 nan 0.000 0.423 104 N N 4.439 122.999 118.700 -0.233 0.000 2.576 104 N HA 0.424 5.165 4.740 0.000 0.000 0.269 104 N C -1.493 173.805 175.510 -0.353 0.000 1.058 104 N CA -0.558 52.378 53.050 -0.190 0.000 0.860 104 N CB 0.891 39.285 38.487 -0.155 0.000 1.249 104 N HN 0.679 nan 8.380 nan 0.000 0.525 105 F N 0.801 120.729 119.950 -0.037 0.000 2.791 105 F HA 0.234 4.761 4.527 0.000 0.000 0.308 105 F C 1.237 177.004 175.800 -0.054 0.000 1.138 105 F CA -0.489 57.489 58.000 -0.038 0.000 1.294 105 F CB 0.034 39.017 39.000 -0.028 0.000 0.975 105 F HN 0.270 nan 8.300 nan 0.000 0.512 106 S N -0.007 115.722 115.700 0.048 0.000 2.584 106 S HA 0.085 4.555 4.470 0.000 0.000 0.270 106 S C 0.648 175.246 174.600 -0.004 0.000 1.346 106 S CA -0.489 57.700 58.200 -0.018 0.000 1.018 106 S CB 0.324 63.480 63.200 -0.075 0.000 0.899 106 S HN 0.470 nan 8.310 nan 0.000 0.542 107 N N 1.722 120.405 118.700 -0.029 0.000 2.727 107 N HA -0.143 4.597 4.740 0.000 0.000 0.251 107 N C -0.785 174.734 175.510 0.016 0.000 1.040 107 N CA 0.722 53.766 53.050 -0.009 0.000 0.712 107 N CB -1.542 36.941 38.487 -0.006 0.000 0.912 107 N HN 0.704 nan 8.380 nan 0.000 0.545 108 N N 0.296 119.010 118.700 0.024 0.000 3.455 108 N HA 0.313 5.053 4.740 0.000 0.000 0.358 108 N C 0.047 175.566 175.510 0.016 0.000 1.580 108 N CA -0.343 52.730 53.050 0.038 0.000 0.692 108 N CB 0.483 39.024 38.487 0.090 0.000 1.978 108 N HN 0.143 nan 8.380 nan 0.000 0.651 109 Q N 0.779 120.586 119.800 0.012 0.000 2.217 109 Q HA 0.423 4.763 4.340 0.000 0.000 0.340 109 Q C -0.681 175.310 176.000 -0.015 0.000 0.893 109 Q CA -0.110 55.693 55.803 -0.001 0.000 1.142 109 Q CB 0.711 29.451 28.738 0.003 0.000 1.288 109 Q HN 0.306 nan 8.270 nan 0.000 0.426 110 L N 0.783 121.991 121.223 -0.026 0.000 2.426 110 L HA 0.199 4.539 4.340 0.000 0.000 0.271 110 L C 1.284 178.129 176.870 -0.043 0.000 1.169 110 L CA 0.366 55.174 54.840 -0.053 0.000 0.836 110 L CB 0.725 42.734 42.059 -0.084 0.000 1.112 110 L HN 0.386 nan 8.230 nan 0.000 0.465 111 T N -2.480 112.047 114.554 -0.046 0.000 3.447 111 T HA 0.057 4.407 4.350 0.000 0.000 0.218 111 T C 0.275 174.949 174.700 -0.043 0.000 0.972 111 T CA -0.326 61.753 62.100 -0.035 0.000 1.264 111 T CB -0.038 68.814 68.868 -0.026 0.000 1.284 111 T HN 0.408 nan 8.240 nan 0.000 0.361 112 D N 2.170 122.542 120.400 -0.047 0.000 2.343 112 D HA 0.224 4.864 4.640 0.000 0.000 0.255 112 D C 0.647 176.904 176.300 -0.072 0.000 1.187 112 D CA -0.667 53.303 54.000 -0.050 0.000 0.875 112 D CB 0.437 41.211 40.800 -0.043 0.000 1.136 112 D HN 0.645 nan 8.370 nan 0.000 0.469 113 I N 0.643 121.172 120.570 -0.068 0.000 3.856 113 I HA 0.169 4.339 4.170 0.000 0.000 0.330 113 I C 1.396 177.473 176.117 -0.068 0.000 1.546 113 I CA -0.424 60.826 61.300 -0.083 0.000 1.132 113 I CB 0.071 38.025 38.000 -0.077 0.000 1.157 113 I HN 0.238 nan 8.210 nan 0.000 0.440 114 T N -0.806 113.713 114.554 -0.059 0.000 2.849 114 T HA 0.002 4.352 4.350 0.000 0.000 0.270 114 T C -0.433 174.230 174.700 -0.062 0.000 1.066 114 T CA 1.176 63.244 62.100 -0.053 0.000 1.130 114 T CB -1.831 67.009 68.868 -0.048 0.000 0.864 114 T HN 0.297 nan 8.240 nan 0.000 0.481 115 P HA 0.078 nan 4.420 nan 0.000 0.221 115 P C 1.343 178.607 177.300 -0.060 0.000 1.145 115 P CA 0.700 63.754 63.100 -0.077 0.000 0.795 115 P CB -0.281 31.374 31.700 -0.075 0.000 0.775 116 L N -0.903 120.292 121.223 -0.048 0.000 2.395 116 L HA -0.046 4.294 4.340 0.000 0.000 0.218 116 L C 2.399 179.257 176.870 -0.020 0.000 1.130 116 L CA 0.799 55.627 54.840 -0.020 0.000 0.826 116 L CB -0.665 41.387 42.059 -0.012 0.000 0.941 116 L HN -0.018 nan 8.230 nan 0.000 0.451 117 K N 1.404 121.784 120.400 -0.033 0.000 2.089 117 K HA -0.231 4.089 4.320 0.000 0.000 0.210 117 K C 1.020 177.604 176.600 -0.026 0.000 1.048 117 K CA 2.144 58.413 56.287 -0.029 0.000 0.926 117 K CB -0.055 32.423 32.500 -0.036 0.000 0.714 117 K HN 0.445 nan 8.250 nan 0.000 0.448 118 N N -0.067 118.612 118.700 -0.034 0.000 2.235 118 N HA 0.118 4.858 4.740 0.000 0.000 0.209 118 N C -0.651 174.848 175.510 -0.018 0.000 1.122 118 N CA -0.247 52.785 53.050 -0.030 0.000 0.845 118 N CB 0.509 38.968 38.487 -0.047 0.000 1.004 118 N HN 0.042 nan 8.380 nan 0.000 0.499 119 L N 1.710 122.929 121.223 -0.007 0.000 2.480 119 L HA 0.136 4.476 4.340 0.000 0.000 0.243 119 L C 1.362 178.240 176.870 0.014 0.000 1.315 119 L CA -0.131 54.716 54.840 0.012 0.000 1.231 119 L CB -0.471 41.606 42.059 0.030 0.000 1.444 119 L HN 0.280 nan 8.230 nan 0.000 0.409 120 T N -3.812 110.747 114.554 0.008 0.000 3.072 120 T HA -0.103 4.247 4.350 0.000 0.000 0.266 120 T C 1.463 176.171 174.700 0.013 0.000 1.127 120 T CA 0.566 62.671 62.100 0.009 0.000 1.107 120 T CB -0.089 68.781 68.868 0.004 0.000 0.910 120 T HN 0.385 nan 8.240 nan 0.000 0.513 121 K N 0.613 121.023 120.400 0.017 0.000 2.486 121 K HA 0.245 4.565 4.320 0.000 0.000 0.194 121 K C 0.337 176.950 176.600 0.022 0.000 1.033 121 K CA 0.005 56.303 56.287 0.019 0.000 1.004 121 K CB -0.202 32.310 32.500 0.021 0.000 0.798 121 K HN 0.414 nan 8.250 nan 0.000 0.495 122 L N 1.380 122.618 121.223 0.026 0.000 2.477 122 L HA -0.044 4.297 4.340 0.000 0.000 0.272 122 L C 1.211 178.096 176.870 0.024 0.000 1.157 122 L CA -0.162 54.696 54.840 0.030 0.000 0.889 122 L CB 0.948 43.030 42.059 0.038 0.000 1.158 122 L HN -0.078 nan 8.230 nan 0.000 0.473 123 V N 2.047 121.975 119.914 0.023 0.000 3.212 123 V HA 0.089 4.209 4.120 0.000 0.000 0.244 123 V C 0.017 176.124 176.094 0.022 0.000 1.151 123 V CA 0.733 63.045 62.300 0.020 0.000 1.119 123 V CB 0.724 32.557 31.823 0.016 0.000 0.838 123 V HN 0.822 nan 8.190 nan 0.000 0.470 124 D N -0.841 119.573 120.400 0.024 0.000 2.896 124 D HA 0.548 5.188 4.640 0.000 0.000 0.241 124 D C -1.170 175.148 176.300 0.030 0.000 1.188 124 D CA -0.236 53.779 54.000 0.025 0.000 0.879 124 D CB 1.724 42.535 40.800 0.018 0.000 1.553 124 D HN 0.083 nan 8.370 nan 0.000 0.515 125 I N 3.844 124.436 120.570 0.036 0.000 2.466 125 I HA 0.341 4.511 4.170 0.000 0.000 0.289 125 I C -0.886 175.252 176.117 0.034 0.000 1.026 125 I CA -0.769 60.559 61.300 0.047 0.000 1.078 125 I CB 1.746 39.779 38.000 0.055 0.000 1.249 125 I HN 0.246 nan 8.210 nan 0.000 0.429 126 L N 7.026 128.265 121.223 0.027 0.000 2.294 126 L HA 0.537 4.877 4.340 0.000 0.000 0.283 126 L C 0.050 176.922 176.870 0.003 0.000 1.015 126 L CA -0.074 54.765 54.840 -0.002 0.000 0.831 126 L CB 1.522 43.572 42.059 -0.016 0.000 1.217 126 L HN 0.716 nan 8.230 nan 0.000 0.420 127 M N 2.997 122.571 119.600 -0.042 0.000 3.039 127 M HA 0.128 4.608 4.480 0.000 0.000 0.442 127 M C -0.288 175.920 176.300 -0.153 0.000 1.408 127 M CA -0.361 54.916 55.300 -0.038 0.000 0.804 127 M CB 0.533 33.140 32.600 0.012 0.000 1.471 127 M HN 0.605 nan 8.290 nan 0.000 0.516 128 N N 0.480 118.979 118.700 -0.334 0.000 2.453 128 N HA 0.010 4.750 4.740 0.000 0.000 0.253 128 N C -0.029 175.272 175.510 -0.348 0.000 1.252 128 N CA 0.281 52.952 53.050 -0.632 0.000 0.917 128 N CB 0.286 37.801 38.487 -1.620 0.000 1.117 128 N HN 0.284 nan 8.380 nan 0.000 0.442 129 N N -0.086 118.454 118.700 -0.266 0.000 2.726 129 N HA -0.176 4.564 4.740 0.000 0.000 0.253 129 N C -1.484 173.989 175.510 -0.061 0.000 1.059 129 N CA 0.482 53.467 53.050 -0.108 0.000 0.701 129 N CB -1.104 37.339 38.487 -0.072 0.000 0.899 129 N HN 0.719 nan 8.380 nan 0.000 0.548 130 N N 0.139 118.807 118.700 -0.052 0.000 3.283 130 N HA 0.341 5.081 4.740 0.000 0.000 0.338 130 N C -0.357 175.142 175.510 -0.019 0.000 1.517 130 N CA -0.420 52.612 53.050 -0.029 0.000 0.733 130 N CB 0.424 38.892 38.487 -0.031 0.000 1.797 130 N HN 0.291 nan 8.380 nan 0.000 0.637 131 Q N 0.632 120.422 119.800 -0.017 0.000 2.211 131 Q HA 0.453 4.793 4.340 0.000 0.000 0.301 131 Q C -0.539 175.452 176.000 -0.014 0.000 0.884 131 Q CA -0.134 55.663 55.803 -0.011 0.000 1.115 131 Q CB 0.318 29.051 28.738 -0.008 0.000 1.217 131 Q HN 0.411 nan 8.270 nan 0.000 0.451 132 I N 0.457 121.017 120.570 -0.018 0.000 2.496 132 I HA 0.080 4.250 4.170 0.000 0.000 0.285 132 I C 0.864 176.975 176.117 -0.009 0.000 1.080 132 I CA 0.013 61.302 61.300 -0.019 0.000 1.404 132 I CB 1.269 39.255 38.000 -0.023 0.000 1.403 132 I HN 0.271 nan 8.210 nan 0.000 0.539 133 A N 4.153 126.967 122.820 -0.009 0.000 1.988 133 A HA 0.101 4.421 4.320 0.000 0.000 0.201 133 A C 0.594 178.175 177.584 -0.006 0.000 1.410 133 A CA 0.192 52.227 52.037 -0.004 0.000 0.832 133 A CB 0.132 19.129 19.000 -0.005 0.000 0.981 133 A HN 0.629 nan 8.150 nan 0.000 0.492 134 D N 0.764 121.158 120.400 -0.011 0.000 2.359 134 D HA 0.385 5.025 4.640 0.000 0.000 0.230 134 D C 0.504 176.795 176.300 -0.014 0.000 1.118 134 D CA -0.379 53.614 54.000 -0.012 0.000 0.844 134 D CB 0.502 41.293 40.800 -0.015 0.000 1.059 134 D HN 0.421 nan 8.370 nan 0.000 0.493 135 I N 0.550 121.115 120.570 -0.009 0.000 3.891 135 I HA 0.174 4.344 4.170 0.000 0.000 0.331 135 I C 1.077 177.189 176.117 -0.009 0.000 1.406 135 I CA -0.442 60.853 61.300 -0.008 0.000 1.139 135 I CB 0.223 38.223 38.000 -0.001 0.000 1.056 135 I HN 0.037 nan 8.210 nan 0.000 0.399 136 T N 2.441 116.988 114.554 -0.012 0.000 2.759 136 T HA -0.042 4.308 4.350 0.000 0.000 0.269 136 T C -0.395 174.297 174.700 -0.014 0.000 1.042 136 T CA 1.790 63.883 62.100 -0.012 0.000 1.140 136 T CB -1.039 67.821 68.868 -0.014 0.000 0.864 136 T HN 0.381 nan 8.240 nan 0.000 0.455 137 P HA 0.028 nan 4.420 nan 0.000 0.223 137 P C 1.111 178.402 177.300 -0.014 0.000 1.144 137 P CA 0.806 63.894 63.100 -0.020 0.000 0.783 137 P CB -0.268 31.415 31.700 -0.028 0.000 0.771 138 L N -1.957 119.261 121.223 -0.008 0.000 2.418 138 L HA 0.066 4.406 4.340 0.000 0.000 0.218 138 L C 2.361 179.230 176.870 -0.000 0.000 1.125 138 L CA 0.614 55.453 54.840 -0.001 0.000 0.835 138 L CB -1.064 40.997 42.059 0.004 0.000 0.953 138 L HN -0.073 nan 8.230 nan 0.000 0.454 139 A N 1.077 123.895 122.820 -0.004 0.000 1.948 139 A HA -0.220 4.100 4.320 0.000 0.000 0.220 139 A C 1.824 179.407 177.584 -0.003 0.000 1.177 139 A CA 2.014 54.049 52.037 -0.003 0.000 0.636 139 A CB -0.449 18.547 19.000 -0.006 0.000 0.815 139 A HN 0.480 nan 8.150 nan 0.000 0.449 140 N N -0.406 118.292 118.700 -0.004 0.000 2.280 140 N HA 0.152 4.892 4.740 0.000 0.000 0.192 140 N C -0.075 175.435 175.510 -0.000 0.000 1.109 140 N CA 0.179 53.227 53.050 -0.003 0.000 0.855 140 N CB 0.124 38.606 38.487 -0.007 0.000 0.974 140 N HN 0.454 nan 8.380 nan 0.000 0.482 141 L N 1.683 122.908 121.223 0.003 0.000 2.480 141 L HA 0.163 4.503 4.340 0.000 0.000 0.243 141 L C 1.370 178.246 176.870 0.009 0.000 1.315 141 L CA -0.133 54.711 54.840 0.008 0.000 1.231 141 L CB -0.525 41.541 42.059 0.011 0.000 1.444 141 L HN 0.064 nan 8.230 nan 0.000 0.409 142 T N -4.188 110.371 114.554 0.007 0.000 3.072 142 T HA -0.059 4.291 4.350 0.000 0.000 0.266 142 T C 1.353 176.058 174.700 0.010 0.000 1.127 142 T CA 0.442 62.547 62.100 0.008 0.000 1.107 142 T CB -0.107 68.764 68.868 0.005 0.000 0.910 142 T HN 0.378 nan 8.240 nan 0.000 0.513 143 N N 1.079 119.786 118.700 0.011 0.000 2.467 143 N HA 0.168 4.908 4.740 0.000 0.000 0.184 143 N C 0.316 175.835 175.510 0.015 0.000 1.106 143 N CA 0.039 53.096 53.050 0.012 0.000 0.892 143 N CB -0.182 38.312 38.487 0.012 0.000 0.969 143 N HN 0.469 nan 8.380 nan 0.000 0.454 144 L N 1.638 122.871 121.223 0.017 0.000 2.584 144 L HA -0.039 4.301 4.340 0.000 0.000 0.272 144 L C 1.669 178.551 176.870 0.020 0.000 1.195 144 L CA 0.247 55.099 54.840 0.020 0.000 0.920 144 L CB 0.446 42.519 42.059 0.022 0.000 1.173 144 L HN 0.187 nan 8.230 nan 0.000 0.489 145 T N -1.520 113.047 114.554 0.021 0.000 2.990 145 T HA 0.218 4.568 4.350 0.000 0.000 0.249 145 T C 0.643 175.359 174.700 0.026 0.000 1.039 145 T CA 0.284 62.397 62.100 0.022 0.000 1.036 145 T CB 0.574 69.453 68.868 0.018 0.000 0.994 145 T HN 0.607 nan 8.240 nan 0.000 0.489 146 G N 1.287 110.104 108.800 0.029 0.000 2.707 146 G HA2 0.621 4.581 3.960 0.000 0.000 0.299 146 G HA3 0.621 4.581 3.960 0.000 0.000 0.299 146 G C -2.091 172.833 174.900 0.040 0.000 1.442 146 G CA -0.639 44.483 45.100 0.036 0.000 1.009 146 G HN 0.328 nan 8.290 nan 0.000 0.515 147 L N 1.763 123.015 121.223 0.049 0.000 2.441 147 L HA 0.731 5.071 4.340 0.000 0.000 0.270 147 L C -0.521 176.389 176.870 0.067 0.000 0.973 147 L CA -0.330 54.540 54.840 0.050 0.000 0.842 147 L CB 2.268 44.354 42.059 0.046 0.000 1.239 147 L HN 0.394 nan 8.230 nan 0.000 0.406 148 T N 6.757 121.344 114.554 0.056 0.000 2.791 148 T HA 0.544 4.894 4.350 0.000 0.000 0.288 148 T C 0.510 175.202 174.700 -0.013 0.000 0.999 148 T CA -0.091 62.050 62.100 0.070 0.000 0.952 148 T CB 0.752 69.657 68.868 0.063 0.000 0.938 148 T HN 0.571 nan 8.240 nan 0.000 0.444 149 L N 3.115 124.351 121.223 0.022 0.000 3.429 149 L HA 0.362 4.703 4.340 0.000 0.000 0.311 149 L C -0.005 176.865 176.870 0.001 0.000 1.274 149 L CA -0.604 54.221 54.840 -0.025 0.000 1.037 149 L CB 0.179 42.257 42.059 0.031 0.000 1.433 149 L HN 0.622 nan 8.230 nan 0.000 0.614 150 F N -0.842 119.126 119.950 0.030 0.000 2.496 150 F HA 0.330 4.857 4.527 0.000 0.000 0.344 150 F C 1.087 176.900 175.800 0.022 0.000 1.155 150 F CA -0.637 57.378 58.000 0.025 0.000 1.302 150 F CB 0.033 39.042 39.000 0.016 0.000 1.159 150 F HN 0.119 nan 8.300 nan 0.000 0.595 151 N N 2.070 120.906 118.700 0.226 0.000 2.699 151 N HA -0.239 4.501 4.740 0.000 0.000 0.257 151 N C -1.490 174.033 175.510 0.022 0.000 1.077 151 N CA 0.659 53.780 53.050 0.119 0.000 0.702 151 N CB -1.103 37.481 38.487 0.161 0.000 0.886 151 N HN 0.887 nan 8.380 nan 0.000 0.549 152 N N 0.231 118.950 118.700 0.032 0.000 3.513 152 N HA 0.356 5.096 4.740 0.000 0.000 0.351 152 N C -0.447 175.076 175.510 0.022 0.000 1.624 152 N CA -0.371 52.685 53.050 0.011 0.000 0.712 152 N CB 0.444 38.930 38.487 -0.003 0.000 2.106 152 N HN 0.331 nan 8.380 nan 0.000 0.649 153 Q N 0.779 120.588 119.800 0.015 0.000 2.182 153 Q HA 0.445 4.785 4.340 0.000 0.000 0.305 153 Q C -0.601 175.408 176.000 0.015 0.000 0.880 153 Q CA -0.080 55.732 55.803 0.015 0.000 1.131 153 Q CB 0.633 29.376 28.738 0.008 0.000 1.237 153 Q HN 0.421 nan 8.270 nan 0.000 0.447 154 I N 0.349 120.932 120.570 0.022 0.000 2.416 154 I HA 0.080 4.250 4.170 0.000 0.000 0.288 154 I C 0.885 177.015 176.117 0.022 0.000 1.051 154 I CA 0.320 61.633 61.300 0.021 0.000 1.375 154 I CB 1.458 39.475 38.000 0.027 0.000 1.407 154 I HN 0.111 nan 8.210 nan 0.000 0.516 155 T N 1.874 116.436 114.554 0.013 0.000 3.138 155 T HA 0.028 4.378 4.350 0.000 0.000 0.245 155 T C 0.153 174.854 174.700 0.002 0.000 0.982 155 T CA 0.140 62.245 62.100 0.010 0.000 1.134 155 T CB 0.088 68.959 68.868 0.006 0.000 1.032 155 T HN 0.537 nan 8.240 nan 0.000 0.442 156 D N 2.104 122.503 120.400 -0.001 0.000 2.347 156 D HA 0.218 4.858 4.640 0.000 0.000 0.235 156 D C 0.666 176.962 176.300 -0.006 0.000 1.149 156 D CA -0.558 53.438 54.000 -0.007 0.000 0.850 156 D CB 0.416 41.212 40.800 -0.008 0.000 1.061 156 D HN 0.445 nan 8.370 nan 0.000 0.487 157 I N -0.044 120.519 120.570 -0.012 0.000 3.941 157 I HA 0.251 4.421 4.170 0.000 0.000 0.335 157 I C 0.613 176.721 176.117 -0.015 0.000 1.402 157 I CA -0.409 60.885 61.300 -0.010 0.000 1.112 157 I CB 0.410 38.403 38.000 -0.012 0.000 1.043 157 I HN 0.017 nan 8.210 nan 0.000 0.395 158 D N 3.250 123.640 120.400 -0.017 0.000 2.158 158 D HA -0.133 4.507 4.640 0.000 0.000 0.197 158 D C -0.365 175.928 176.300 -0.012 0.000 0.995 158 D CA 1.562 55.552 54.000 -0.017 0.000 0.846 158 D CB -1.434 39.356 40.800 -0.017 0.000 0.941 158 D HN 0.388 nan 8.370 nan 0.000 0.456 159 P HA -0.058 nan 4.420 nan 0.000 0.221 159 P C 1.523 178.822 177.300 -0.003 0.000 1.145 159 P CA 0.604 63.700 63.100 -0.006 0.000 0.795 159 P CB -0.084 31.613 31.700 -0.005 0.000 0.775 160 L N -0.721 120.501 121.223 -0.001 0.000 2.376 160 L HA -0.085 4.255 4.340 0.000 0.000 0.219 160 L C 2.413 179.283 176.870 0.000 0.000 1.133 160 L CA 0.950 55.791 54.840 0.003 0.000 0.816 160 L CB -0.736 41.328 42.059 0.007 0.000 0.933 160 L HN 0.004 nan 8.230 nan 0.000 0.449 161 K N 0.707 121.103 120.400 -0.005 0.000 2.113 161 K HA -0.226 4.094 4.320 0.000 0.000 0.208 161 K C 1.626 178.224 176.600 -0.003 0.000 1.047 161 K CA 1.456 57.739 56.287 -0.006 0.000 0.928 161 K CB 0.013 32.508 32.500 -0.010 0.000 0.716 161 K HN 0.262 nan 8.250 nan 0.000 0.446 162 N N 0.699 119.398 118.700 -0.001 0.000 2.336 162 N HA 0.020 4.760 4.740 0.000 0.000 0.189 162 N C -0.246 175.266 175.510 0.004 0.000 1.113 162 N CA 0.203 53.254 53.050 0.000 0.000 0.858 162 N CB 0.293 38.779 38.487 -0.001 0.000 0.970 162 N HN 0.177 nan 8.380 nan 0.000 0.471 163 L N 1.568 122.795 121.223 0.006 0.000 2.648 163 L HA 0.151 4.491 4.340 0.000 0.000 0.238 163 L C 1.552 178.429 176.870 0.012 0.000 1.316 163 L CA -0.133 54.713 54.840 0.010 0.000 1.241 163 L CB -0.335 41.732 42.059 0.014 0.000 1.499 163 L HN 0.009 nan 8.230 nan 0.000 0.411 164 T N -4.207 110.353 114.554 0.009 0.000 3.035 164 T HA -0.072 4.278 4.350 0.000 0.000 0.268 164 T C 1.368 176.075 174.700 0.012 0.000 1.109 164 T CA 0.583 62.688 62.100 0.010 0.000 1.119 164 T CB -0.104 68.768 68.868 0.007 0.000 0.900 164 T HN 0.332 nan 8.240 nan 0.000 0.503 165 N N 0.923 119.630 118.700 0.013 0.000 2.398 165 N HA 0.217 4.957 4.740 0.000 0.000 0.188 165 N C 0.175 175.696 175.510 0.017 0.000 1.122 165 N CA 0.008 53.066 53.050 0.014 0.000 0.866 165 N CB -0.248 38.247 38.487 0.012 0.000 0.970 165 N HN 0.481 nan 8.380 nan 0.000 0.462 166 L N 1.998 123.234 121.223 0.020 0.000 2.513 166 L HA -0.027 4.313 4.340 0.000 0.000 0.272 166 L C 1.291 178.177 176.870 0.026 0.000 1.187 166 L CA -0.081 54.774 54.840 0.026 0.000 0.895 166 L CB 0.362 42.439 42.059 0.031 0.000 1.147 166 L HN 0.215 nan 8.230 nan 0.000 0.483 167 N N 2.232 120.948 118.700 0.027 0.000 2.348 167 N HA 0.030 4.770 4.740 0.000 0.000 0.183 167 N C 0.360 175.888 175.510 0.031 0.000 1.094 167 N CA -0.178 52.888 53.050 0.026 0.000 0.885 167 N CB 0.425 38.924 38.487 0.020 0.000 1.065 167 N HN 0.458 nan 8.380 nan 0.000 0.472 168 R N 0.201 120.722 120.500 0.036 0.000 2.513 168 R HA 0.534 4.874 4.340 0.000 0.000 0.301 168 R C -2.039 174.296 176.300 0.057 0.000 0.968 168 R CA -0.819 55.307 56.100 0.043 0.000 0.872 168 R CB 0.991 31.316 30.300 0.041 0.000 1.177 168 R HN 0.185 nan 8.270 nan 0.000 0.444 169 L N 3.245 124.510 121.223 0.070 0.000 2.528 169 L HA 0.440 4.780 4.340 0.000 0.000 0.267 169 L C -1.708 175.229 176.870 0.112 0.000 0.961 169 L CA -0.173 54.720 54.840 0.089 0.000 0.866 169 L CB 2.191 44.303 42.059 0.088 0.000 1.248 169 L HN 0.643 nan 8.230 nan 0.000 0.404 170 E N 5.681 125.966 120.200 0.141 0.000 2.185 170 E HA 0.518 4.868 4.350 0.000 0.000 0.261 170 E C -0.216 176.514 176.600 0.217 0.000 0.879 170 E CA -0.094 56.416 56.400 0.184 0.000 0.756 170 E CB 1.800 31.669 29.700 0.282 0.000 1.152 170 E HN 0.653 nan 8.360 nan 0.000 0.416 171 L N 1.819 123.162 121.223 0.200 0.000 3.184 171 L HA 0.181 4.522 4.340 0.000 0.000 0.283 171 L C 0.304 177.291 176.870 0.194 0.000 1.218 171 L CA -0.231 54.728 54.840 0.199 0.000 1.028 171 L CB 0.527 42.707 42.059 0.202 0.000 1.400 171 L HN 0.430 nan 8.230 nan 0.000 0.591 172 S N -1.396 114.400 115.700 0.160 0.000 2.596 172 S HA 0.194 4.664 4.470 0.000 0.000 0.260 172 S C 0.960 175.645 174.600 0.141 0.000 1.336 172 S CA -0.002 58.252 58.200 0.090 0.000 0.993 172 S CB 1.178 64.353 63.200 -0.041 0.000 0.923 172 S HN 0.239 nan 8.310 nan 0.000 0.567 173 S N 1.065 116.821 115.700 0.093 0.000 3.614 173 S HA -0.134 4.336 4.470 0.000 0.000 0.360 173 S C 0.011 174.672 174.600 0.101 0.000 1.023 173 S CA 0.733 58.992 58.200 0.099 0.000 1.114 173 S CB -2.039 61.236 63.200 0.124 0.000 0.907 173 S HN 0.788 nan 8.310 nan 0.000 0.470 174 N N 0.117 118.874 118.700 0.095 0.000 2.989 174 N HA 0.494 5.234 4.740 0.000 0.000 0.338 174 N C -0.081 175.467 175.510 0.063 0.000 1.369 174 N CA -0.506 52.590 53.050 0.077 0.000 0.794 174 N CB 1.092 39.629 38.487 0.084 0.000 1.359 174 N HN 0.104 nan 8.380 nan 0.000 0.609 175 T N 0.721 115.305 114.554 0.050 0.000 3.416 175 T HA 0.457 4.807 4.350 0.000 0.000 0.245 175 T C 0.336 175.057 174.700 0.035 0.000 1.081 175 T CA -0.208 61.916 62.100 0.040 0.000 1.190 175 T CB -0.505 68.380 68.868 0.028 0.000 1.068 175 T HN 0.259 nan 8.240 nan 0.000 0.580 176 I N 2.013 122.612 120.570 0.048 0.000 2.428 176 I HA 0.245 4.415 4.170 0.000 0.000 0.289 176 I C 1.235 177.366 176.117 0.023 0.000 1.019 176 I CA -0.214 61.104 61.300 0.030 0.000 1.351 176 I CB 1.569 39.592 38.000 0.038 0.000 1.412 176 I HN 0.351 nan 8.210 nan 0.000 0.513 177 S N 1.791 117.488 115.700 -0.005 0.000 2.632 177 S HA 0.219 4.689 4.470 0.000 0.000 0.237 177 S C -0.005 174.568 174.600 -0.045 0.000 1.037 177 S CA -0.383 57.810 58.200 -0.012 0.000 1.009 177 S CB 0.367 63.565 63.200 -0.004 0.000 0.974 177 S HN 0.661 nan 8.310 nan 0.000 0.544 178 D N 1.521 121.878 120.400 -0.072 0.000 2.855 178 D HA 0.344 4.984 4.640 0.000 0.000 0.241 178 D C 0.010 176.225 176.300 -0.143 0.000 1.277 178 D CA -0.514 53.429 54.000 -0.095 0.000 0.918 178 D CB 1.900 42.664 40.800 -0.061 0.000 1.462 178 D HN 0.347 nan 8.370 nan 0.000 0.559 179 I N 0.558 121.004 120.570 -0.207 0.000 3.914 179 I HA 0.211 4.381 4.170 0.000 0.000 0.333 179 I C 1.102 177.123 176.117 -0.160 0.000 1.449 179 I CA -0.398 60.746 61.300 -0.261 0.000 1.135 179 I CB 0.443 38.123 38.000 -0.533 0.000 1.073 179 I HN -0.029 nan 8.210 nan 0.000 0.401 180 S N 2.100 117.736 115.700 -0.106 0.000 2.387 180 S HA -0.214 4.256 4.470 0.000 0.000 0.230 180 S C 2.260 176.825 174.600 -0.058 0.000 1.035 180 S CA 1.803 59.961 58.200 -0.070 0.000 1.014 180 S CB -0.228 62.941 63.200 -0.051 0.000 0.836 180 S HN 0.763 nan 8.310 nan 0.000 0.466 181 A N 1.028 123.813 122.820 -0.059 0.000 2.070 181 A HA 0.056 4.376 4.320 0.000 0.000 0.220 181 A C 1.863 179.424 177.584 -0.037 0.000 1.159 181 A CA 0.885 52.897 52.037 -0.042 0.000 0.656 181 A CB -0.548 18.430 19.000 -0.037 0.000 0.800 181 A HN 0.512 nan 8.150 nan 0.000 0.453 182 L N 0.469 121.659 121.223 -0.054 0.000 2.554 182 L HA -0.067 4.273 4.340 0.000 0.000 0.226 182 L C 2.660 179.516 176.870 -0.024 0.000 1.137 182 L CA 0.914 55.732 54.840 -0.037 0.000 0.863 182 L CB -0.492 41.532 42.059 -0.057 0.000 0.985 182 L HN 0.580 nan 8.230 nan 0.000 0.451 183 S N 0.230 115.912 115.700 -0.029 0.000 2.400 183 S HA -0.138 4.332 4.470 0.000 0.000 0.232 183 S C 1.847 176.442 174.600 -0.008 0.000 1.025 183 S CA 1.221 59.410 58.200 -0.019 0.000 0.993 183 S CB -0.643 62.544 63.200 -0.022 0.000 0.808 183 S HN 0.442 nan 8.310 nan 0.000 0.478 184 G N 0.587 109.383 108.800 -0.007 0.000 3.042 184 G HA2 0.355 4.315 3.960 0.000 0.000 0.212 184 G HA3 0.355 4.315 3.960 0.000 0.000 0.212 184 G C 0.540 175.441 174.900 0.003 0.000 1.166 184 G CA -0.382 44.717 45.100 -0.002 0.000 0.767 184 G HN 0.523 nan 8.290 nan 0.000 0.546 185 L N 2.876 124.103 121.223 0.006 0.000 2.583 185 L HA 0.146 4.486 4.340 0.000 0.000 0.239 185 L C 1.841 178.721 176.870 0.017 0.000 1.347 185 L CA -0.078 54.770 54.840 0.013 0.000 1.246 185 L CB -0.227 41.842 42.059 0.018 0.000 1.496 185 L HN 0.181 nan 8.230 nan 0.000 0.413 186 T N -5.254 109.307 114.554 0.013 0.000 3.160 186 T HA -0.031 4.319 4.350 0.000 0.000 0.257 186 T C 1.362 176.070 174.700 0.014 0.000 1.147 186 T CA 0.347 62.455 62.100 0.013 0.000 1.064 186 T CB 0.111 68.985 68.868 0.009 0.000 0.949 186 T HN 0.321 nan 8.240 nan 0.000 0.526 187 S N 0.406 116.115 115.700 0.016 0.000 2.554 187 S HA 0.403 4.873 4.470 0.000 0.000 0.226 187 S C 0.462 175.074 174.600 0.020 0.000 0.980 187 S CA -0.522 57.687 58.200 0.016 0.000 0.939 187 S CB -0.180 63.029 63.200 0.014 0.000 0.832 187 S HN 0.485 nan 8.310 nan 0.000 0.486 188 L N 2.105 123.343 121.223 0.025 0.000 2.455 188 L HA 0.100 4.440 4.340 0.000 0.000 0.272 188 L C 1.298 178.185 176.870 0.028 0.000 1.174 188 L CA 0.339 55.198 54.840 0.032 0.000 0.869 188 L CB 0.586 42.672 42.059 0.044 0.000 1.130 188 L HN 0.267 nan 8.230 nan 0.000 0.474 189 Q N 1.805 121.620 119.800 0.025 0.000 2.431 189 Q HA 0.155 4.495 4.340 0.000 0.000 0.244 189 Q C -0.288 175.721 176.000 0.016 0.000 0.880 189 Q CA 0.314 56.128 55.803 0.018 0.000 0.954 189 Q CB 0.831 29.577 28.738 0.014 0.000 1.105 189 Q HN 0.623 nan 8.270 nan 0.000 0.558 190 Q N 0.756 120.568 119.800 0.020 0.000 2.304 190 Q HA 0.596 4.936 4.340 0.000 0.000 0.270 190 Q C -1.852 174.164 176.000 0.027 0.000 1.035 190 Q CA -0.493 55.318 55.803 0.013 0.000 0.781 190 Q CB 2.607 31.351 28.738 0.010 0.000 1.261 190 Q HN -0.029 nan 8.270 nan 0.000 0.444 191 L N 2.960 124.191 121.223 0.014 0.000 2.505 191 L HA 0.629 4.969 4.340 0.000 0.000 0.259 191 L C -2.017 174.823 176.870 -0.049 0.000 0.952 191 L CA -0.253 54.611 54.840 0.040 0.000 0.840 191 L CB 2.260 44.382 42.059 0.105 0.000 1.358 191 L HN 0.817 nan 8.230 nan 0.000 0.409 192 N N 2.102 120.778 118.700 -0.039 0.000 2.525 192 N HA 0.847 5.587 4.740 0.000 0.000 0.270 192 N C -1.358 174.121 175.510 -0.052 0.000 1.321 192 N CA -0.480 52.438 53.050 -0.221 0.000 0.797 192 N CB 1.756 40.122 38.487 -0.202 0.000 1.529 192 N HN 0.495 nan 8.380 nan 0.000 0.491 193 F N -3.745 116.210 119.950 0.010 0.000 2.770 193 F HA 0.897 5.424 4.527 0.000 0.000 0.313 193 F C -0.371 175.437 175.800 0.013 0.000 1.154 193 F CA -0.691 57.321 58.000 0.020 0.000 0.923 193 F CB 1.213 40.224 39.000 0.018 0.000 1.301 193 F HN 0.835 nan 8.300 nan 0.000 0.449 194 G N 0.596 109.576 108.800 0.300 0.000 2.451 194 G HA2 0.384 4.344 3.960 0.000 0.000 0.292 194 G HA3 0.384 4.344 3.960 0.000 0.000 0.292 194 G C -1.763 173.220 174.900 0.138 0.000 1.427 194 G CA -0.499 44.715 45.100 0.190 0.000 0.792 194 G HN 1.308 nan 8.290 nan 0.000 0.498 195 N N -1.203 117.555 118.700 0.096 0.000 2.238 195 N HA 0.084 4.824 4.740 0.000 0.000 0.235 195 N C 0.191 175.744 175.510 0.070 0.000 1.209 195 N CA -0.155 52.943 53.050 0.080 0.000 0.879 195 N CB 0.859 39.376 38.487 0.051 0.000 1.136 195 N HN 0.552 nan 8.380 nan 0.000 0.517 196 Q N 0.371 120.216 119.800 0.074 0.000 2.089 196 Q HA 0.254 4.594 4.340 0.000 0.000 0.248 196 Q C -0.686 175.345 176.000 0.053 0.000 0.828 196 Q CA -0.174 55.661 55.803 0.053 0.000 1.102 196 Q CB 1.695 30.453 28.738 0.033 0.000 1.221 196 Q HN 0.075 nan 8.270 nan 0.000 0.455 197 V N 2.539 122.507 119.914 0.091 0.000 2.313 197 V HA 0.030 4.150 4.120 0.000 0.000 0.252 197 V C 1.523 177.665 176.094 0.080 0.000 1.112 197 V CA 0.590 62.930 62.300 0.067 0.000 0.984 197 V CB 0.276 32.145 31.823 0.078 0.000 1.157 197 V HN 0.411 nan 8.190 nan 0.000 0.493 198 T N -0.672 113.905 114.554 0.039 0.000 3.051 198 T HA 0.031 4.381 4.350 0.000 0.000 0.255 198 T C 0.577 175.294 174.700 0.028 0.000 1.085 198 T CA 0.174 62.297 62.100 0.038 0.000 1.109 198 T CB 0.146 69.028 68.868 0.024 0.000 0.921 198 T HN 0.487 nan 8.240 nan 0.000 0.488 199 D N 0.833 121.238 120.400 0.007 0.000 2.427 199 D HA 0.321 4.961 4.640 0.000 0.000 0.226 199 D C 0.658 176.949 176.300 -0.015 0.000 1.076 199 D CA -0.706 53.291 54.000 -0.004 0.000 0.849 199 D CB 0.763 41.552 40.800 -0.018 0.000 1.052 199 D HN 0.216 nan 8.370 nan 0.000 0.515 200 L N 3.309 124.542 121.223 0.015 0.000 2.592 200 L HA 0.130 4.470 4.340 0.000 0.000 0.227 200 L C 2.153 179.029 176.870 0.009 0.000 1.127 200 L CA -0.096 54.762 54.840 0.029 0.000 0.884 200 L CB 0.019 42.130 42.059 0.087 0.000 1.065 200 L HN 0.283 nan 8.230 nan 0.000 0.457 201 K N 0.902 121.300 120.400 -0.003 0.000 2.144 201 K HA -0.209 4.112 4.320 0.000 0.000 0.209 201 K C -0.534 176.058 176.600 -0.014 0.000 1.047 201 K CA 1.648 57.932 56.287 -0.006 0.000 0.927 201 K CB -1.123 31.372 32.500 -0.009 0.000 0.716 201 K HN 0.297 nan 8.250 nan 0.000 0.454 202 P HA -0.122 nan 4.420 nan 0.000 0.226 202 P C 0.769 178.056 177.300 -0.023 0.000 1.146 202 P CA 0.978 64.054 63.100 -0.040 0.000 0.773 202 P CB 0.004 31.659 31.700 -0.075 0.000 0.772 203 L N -1.668 119.553 121.223 -0.002 0.000 2.478 203 L HA -0.006 4.335 4.340 0.000 0.000 0.223 203 L C 2.346 179.231 176.870 0.024 0.000 1.140 203 L CA 0.557 55.414 54.840 0.029 0.000 0.842 203 L CB -0.970 41.130 42.059 0.069 0.000 0.953 203 L HN -0.027 nan 8.230 nan 0.000 0.452 204 A N 1.009 123.837 122.820 0.013 0.000 1.927 204 A HA -0.243 4.077 4.320 0.000 0.000 0.220 204 A C 1.830 179.421 177.584 0.011 0.000 1.185 204 A CA 2.150 54.194 52.037 0.012 0.000 0.639 204 A CB -0.435 18.569 19.000 0.006 0.000 0.820 204 A HN 0.480 nan 8.150 nan 0.000 0.451 205 N N -0.452 118.254 118.700 0.009 0.000 2.270 205 N HA 0.168 4.908 4.740 0.000 0.000 0.198 205 N C -0.049 175.468 175.510 0.012 0.000 1.117 205 N CA 0.163 53.218 53.050 0.009 0.000 0.845 205 N CB 0.209 38.699 38.487 0.005 0.000 0.980 205 N HN 0.457 nan 8.380 nan 0.000 0.486 206 L N 1.612 122.846 121.223 0.018 0.000 2.648 206 L HA 0.163 4.503 4.340 0.000 0.000 0.238 206 L C 1.358 178.241 176.870 0.022 0.000 1.316 206 L CA -0.088 54.766 54.840 0.023 0.000 1.241 206 L CB -0.599 41.481 42.059 0.034 0.000 1.499 206 L HN 0.058 nan 8.230 nan 0.000 0.411 207 T N -5.268 109.296 114.554 0.016 0.000 3.072 207 T HA -0.114 4.236 4.350 0.000 0.000 0.266 207 T C 1.560 176.268 174.700 0.013 0.000 1.127 207 T CA 0.927 63.035 62.100 0.014 0.000 1.107 207 T CB -0.251 68.624 68.868 0.010 0.000 0.910 207 T HN 0.352 nan 8.240 nan 0.000 0.513 208 T N 1.975 116.537 114.554 0.014 0.000 3.118 208 T HA 0.270 4.620 4.350 0.000 0.000 0.260 208 T C 0.660 175.369 174.700 0.015 0.000 1.139 208 T CA -0.018 62.090 62.100 0.013 0.000 1.085 208 T CB -0.432 68.444 68.868 0.014 0.000 0.934 208 T HN 0.402 nan 8.240 nan 0.000 0.518 209 L N 2.035 123.269 121.223 0.019 0.000 2.513 209 L HA 0.068 4.408 4.340 0.000 0.000 0.272 209 L C 1.322 178.199 176.870 0.011 0.000 1.187 209 L CA 0.396 55.248 54.840 0.019 0.000 0.895 209 L CB 0.542 42.618 42.059 0.029 0.000 1.147 209 L HN 0.221 nan 8.230 nan 0.000 0.483 210 E N 2.836 123.040 120.200 0.006 0.000 2.364 210 E HA 0.165 4.515 4.350 0.000 0.000 0.203 210 E C -0.124 176.471 176.600 -0.008 0.000 0.888 210 E CA 0.141 56.541 56.400 -0.001 0.000 0.989 210 E CB 0.678 30.377 29.700 -0.001 0.000 0.985 210 E HN 0.503 nan 8.360 nan 0.000 0.499 211 R N 1.078 121.572 120.500 -0.011 0.000 2.502 211 R HA 0.457 4.797 4.340 0.000 0.000 0.298 211 R C -1.582 174.697 176.300 -0.035 0.000 1.018 211 R CA -0.579 55.505 56.100 -0.026 0.000 0.899 211 R CB 2.025 32.309 30.300 -0.027 0.000 1.181 211 R HN -0.078 nan 8.270 nan 0.000 0.444 212 L N 1.788 122.979 121.223 -0.053 0.000 2.401 212 L HA 0.558 4.898 4.340 0.000 0.000 0.266 212 L C -1.551 175.240 176.870 -0.132 0.000 0.991 212 L CA -0.380 54.410 54.840 -0.083 0.000 0.818 212 L CB 2.183 44.211 42.059 -0.052 0.000 1.321 212 L HN 0.486 nan 8.230 nan 0.000 0.413 213 D N 4.053 124.325 120.400 -0.214 0.000 2.542 213 D HA 0.351 4.991 4.640 0.000 0.000 0.252 213 D C -0.050 176.005 176.300 -0.407 0.000 1.222 213 D CA -0.222 53.632 54.000 -0.242 0.000 0.895 213 D CB 1.076 41.752 40.800 -0.206 0.000 1.207 213 D HN 0.590 nan 8.370 nan 0.000 0.558 214 I N 0.305 120.672 120.570 -0.338 0.000 3.856 214 I HA 0.375 4.545 4.170 0.000 0.000 0.330 214 I C -0.098 175.911 176.117 -0.179 0.000 1.546 214 I CA -0.592 60.487 61.300 -0.368 0.000 1.132 214 I CB 0.480 38.352 38.000 -0.214 0.000 1.157 214 I HN -0.042 nan 8.210 nan 0.000 0.440 215 S N 1.141 116.746 115.700 -0.159 0.000 2.568 215 S HA 0.106 4.576 4.470 0.000 0.000 0.282 215 S C 1.053 175.615 174.600 -0.063 0.000 1.338 215 S CA 0.360 58.503 58.200 -0.094 0.000 1.045 215 S CB 0.585 63.729 63.200 -0.094 0.000 0.873 215 S HN 0.647 nan 8.310 nan 0.000 0.516 216 S N 1.677 117.357 115.700 -0.034 0.000 3.698 216 S HA -0.139 4.331 4.470 0.000 0.000 0.338 216 S C 0.490 175.096 174.600 0.011 0.000 1.089 216 S CA 0.340 58.533 58.200 -0.012 0.000 0.991 216 S CB -1.480 61.710 63.200 -0.016 0.000 0.909 216 S HN 0.795 nan 8.310 nan 0.000 0.485 217 N N 0.786 119.499 118.700 0.023 0.000 2.203 217 N HA 0.043 4.783 4.740 0.000 0.000 0.207 217 N C -0.131 175.407 175.510 0.047 0.000 1.130 217 N CA -0.110 52.975 53.050 0.058 0.000 0.861 217 N CB 0.298 38.852 38.487 0.112 0.000 1.005 217 N HN 0.302 nan 8.380 nan 0.000 0.507 218 K N 0.003 120.420 120.400 0.028 0.000 3.071 218 K HA -0.121 4.199 4.320 0.000 0.000 0.265 218 K C -0.514 176.102 176.600 0.026 0.000 1.060 218 K CA 0.238 56.538 56.287 0.022 0.000 0.767 218 K CB -2.502 30.010 32.500 0.020 0.000 1.241 218 K HN 0.011 nan 8.250 nan 0.000 0.486 219 V N 1.531 121.464 119.914 0.031 0.000 2.530 219 V HA 0.136 4.256 4.120 0.000 0.000 0.282 219 V C 1.733 177.840 176.094 0.022 0.000 1.048 219 V CA 0.672 62.993 62.300 0.035 0.000 0.997 219 V CB 1.685 33.538 31.823 0.049 0.000 0.987 219 V HN 0.574 nan 8.190 nan 0.000 0.477 220 S N 2.030 117.742 115.700 0.020 0.000 2.641 220 S HA 0.109 4.579 4.470 0.000 0.000 0.239 220 S C 0.579 175.187 174.600 0.014 0.000 1.081 220 S CA -0.057 58.151 58.200 0.014 0.000 0.904 220 S CB 0.155 63.361 63.200 0.011 0.000 0.803 220 S HN 0.671 nan 8.310 nan 0.000 0.510 221 D N 2.369 122.780 120.400 0.018 0.000 2.411 221 D HA 0.286 4.926 4.640 0.000 0.000 0.225 221 D C 0.595 176.909 176.300 0.023 0.000 1.156 221 D CA -0.627 53.383 54.000 0.017 0.000 0.874 221 D CB 0.510 41.319 40.800 0.015 0.000 1.034 221 D HN 0.581 nan 8.370 nan 0.000 0.502 222 I N 0.884 121.465 120.570 0.020 0.000 3.891 222 I HA 0.127 4.297 4.170 0.000 0.000 0.331 222 I C 1.469 177.597 176.117 0.019 0.000 1.406 222 I CA -0.365 60.949 61.300 0.023 0.000 1.139 222 I CB 0.027 38.038 38.000 0.017 0.000 1.056 222 I HN 0.147 nan 8.210 nan 0.000 0.399 223 S N 0.707 116.416 115.700 0.016 0.000 2.387 223 S HA -0.217 4.254 4.470 0.000 0.000 0.230 223 S C 1.883 176.492 174.600 0.014 0.000 1.035 223 S CA 1.480 59.687 58.200 0.013 0.000 1.014 223 S CB -1.002 62.204 63.200 0.010 0.000 0.836 223 S HN 0.454 nan 8.310 nan 0.000 0.466 224 V N 1.963 121.888 119.914 0.019 0.000 2.594 224 V HA -0.052 4.068 4.120 0.000 0.000 0.253 224 V C 2.222 178.329 176.094 0.023 0.000 1.069 224 V CA 1.586 63.898 62.300 0.020 0.000 1.082 224 V CB -0.684 31.154 31.823 0.025 0.000 0.680 224 V HN 0.624 nan 8.190 nan 0.000 0.469 225 L N 0.142 121.380 121.223 0.024 0.000 2.187 225 L HA -0.138 4.202 4.340 0.000 0.000 0.213 225 L C 2.715 179.594 176.870 0.015 0.000 1.100 225 L CA 1.329 56.182 54.840 0.022 0.000 0.765 225 L CB -0.976 41.095 42.059 0.019 0.000 0.904 225 L HN 0.427 nan 8.230 nan 0.000 0.437 226 A N 0.532 123.359 122.820 0.012 0.000 2.024 226 A HA -0.226 4.094 4.320 0.000 0.000 0.220 226 A C 2.283 179.873 177.584 0.009 0.000 1.164 226 A CA 1.668 53.710 52.037 0.008 0.000 0.643 226 A CB -0.326 18.678 19.000 0.007 0.000 0.806 226 A HN 0.376 nan 8.150 nan 0.000 0.451 227 K N -0.533 119.874 120.400 0.011 0.000 2.365 227 K HA 0.133 4.453 4.320 0.000 0.000 0.199 227 K C 0.069 176.676 176.600 0.012 0.000 1.045 227 K CA 0.364 56.658 56.287 0.011 0.000 0.962 227 K CB -0.115 32.392 32.500 0.012 0.000 0.759 227 K HN 0.434 nan 8.250 nan 0.000 0.469 228 L N 2.497 123.728 121.223 0.013 0.000 2.536 228 L HA 0.084 4.424 4.340 0.000 0.000 0.242 228 L C 1.105 177.981 176.870 0.009 0.000 1.280 228 L CA -0.256 54.593 54.840 0.014 0.000 1.221 228 L CB -0.345 41.725 42.059 0.019 0.000 1.449 228 L HN 0.218 nan 8.230 nan 0.000 0.405 229 T N -3.982 110.577 114.554 0.007 0.000 3.051 229 T HA -0.075 4.275 4.350 0.000 0.000 0.269 229 T C 1.299 176.002 174.700 0.004 0.000 1.127 229 T CA 0.608 62.711 62.100 0.005 0.000 1.107 229 T CB -0.110 68.760 68.868 0.004 0.000 0.898 229 T HN 0.368 nan 8.240 nan 0.000 0.517 230 N N 0.830 119.533 118.700 0.005 0.000 2.322 230 N HA 0.240 4.980 4.740 0.000 0.000 0.194 230 N C 0.065 175.576 175.510 0.001 0.000 1.126 230 N CA -0.045 53.007 53.050 0.003 0.000 0.845 230 N CB 0.026 38.515 38.487 0.004 0.000 0.976 230 N HN 0.464 nan 8.380 nan 0.000 0.475 231 L N 1.286 122.510 121.223 0.001 0.000 2.513 231 L HA 0.002 4.342 4.340 0.000 0.000 0.272 231 L C 1.249 178.115 176.870 -0.006 0.000 1.187 231 L CA 0.455 55.293 54.840 -0.002 0.000 0.895 231 L CB 0.682 42.740 42.059 -0.002 0.000 1.147 231 L HN 0.093 nan 8.230 nan 0.000 0.483 232 E N 1.030 121.224 120.200 -0.009 0.000 2.330 232 E HA 0.042 4.392 4.350 0.000 0.000 0.200 232 E C 0.097 176.687 176.600 -0.017 0.000 0.922 232 E CA 0.063 56.456 56.400 -0.012 0.000 0.935 232 E CB 0.895 30.588 29.700 -0.011 0.000 0.917 232 E HN 0.457 nan 8.360 nan 0.000 0.491 233 S N 0.813 116.500 115.700 -0.022 0.000 2.672 233 S HA 0.486 4.956 4.470 0.000 0.000 0.291 233 S C -1.746 172.832 174.600 -0.036 0.000 1.145 233 S CA -0.750 57.432 58.200 -0.030 0.000 1.013 233 S CB 1.021 64.200 63.200 -0.035 0.000 1.017 233 S HN 0.100 nan 8.310 nan 0.000 0.487 234 L N 6.505 127.705 121.223 -0.038 0.000 2.372 234 L HA 0.688 5.028 4.340 0.000 0.000 0.274 234 L C -1.683 175.155 176.870 -0.054 0.000 0.988 234 L CA -0.495 54.317 54.840 -0.046 0.000 0.833 234 L CB 1.308 43.347 42.059 -0.033 0.000 1.236 234 L HN 0.575 nan 8.230 nan 0.000 0.410 235 I N 5.385 125.911 120.570 -0.075 0.000 2.339 235 I HA 0.619 4.789 4.170 0.000 0.000 0.290 235 I C 0.507 176.570 176.117 -0.089 0.000 0.994 235 I CA -0.432 60.820 61.300 -0.080 0.000 1.191 235 I CB 1.099 39.042 38.000 -0.095 0.000 1.343 235 I HN 0.794 nan 8.210 nan 0.000 0.458 236 A N 4.073 126.852 122.820 -0.069 0.000 2.897 236 A HA 0.341 4.662 4.320 0.000 0.000 0.230 236 A C 0.510 178.066 177.584 -0.047 0.000 0.896 236 A CA -0.416 51.584 52.037 -0.061 0.000 1.114 236 A CB -0.121 18.852 19.000 -0.044 0.000 1.230 236 A HN 0.692 nan 8.150 nan 0.000 0.481 237 T N -0.996 113.526 114.554 -0.052 0.000 2.900 237 T HA 0.298 4.648 4.350 0.000 0.000 0.307 237 T C 0.455 175.134 174.700 -0.035 0.000 1.065 237 T CA 0.316 62.391 62.100 -0.042 0.000 1.105 237 T CB 0.140 68.981 68.868 -0.046 0.000 0.979 237 T HN 0.567 nan 8.240 nan 0.000 0.544 238 N N 2.080 120.764 118.700 -0.026 0.000 2.727 238 N HA -0.157 4.583 4.740 0.000 0.000 0.251 238 N C -0.671 174.831 175.510 -0.014 0.000 1.040 238 N CA 0.554 53.592 53.050 -0.020 0.000 0.712 238 N CB -1.285 37.189 38.487 -0.022 0.000 0.912 238 N HN 0.705 nan 8.380 nan 0.000 0.545 239 N N 0.274 118.967 118.700 -0.012 0.000 3.201 239 N HA 0.309 5.049 4.740 0.000 0.000 0.344 239 N C 0.278 175.787 175.510 -0.002 0.000 1.465 239 N CA -0.374 52.674 53.050 -0.004 0.000 0.731 239 N CB 0.528 39.012 38.487 -0.004 0.000 1.677 239 N HN 0.135 nan 8.380 nan 0.000 0.631 240 Q N 0.637 120.438 119.800 0.003 0.000 2.263 240 Q HA 0.439 4.779 4.340 0.000 0.000 0.337 240 Q C -0.587 175.414 176.000 0.003 0.000 0.906 240 Q CA -0.100 55.705 55.803 0.003 0.000 1.124 240 Q CB 0.290 29.031 28.738 0.005 0.000 1.255 240 Q HN 0.403 nan 8.270 nan 0.000 0.435 241 I N 1.196 121.766 120.570 0.001 0.000 2.352 241 I HA 0.007 4.177 4.170 0.000 0.000 0.290 241 I C 1.137 177.254 176.117 -0.001 0.000 1.036 241 I CA 0.181 61.482 61.300 0.001 0.000 1.336 241 I CB 1.236 39.235 38.000 -0.001 0.000 1.407 241 I HN 0.213 nan 8.210 nan 0.000 0.497 242 S N 2.011 117.711 115.700 0.001 0.000 2.549 242 S HA 0.106 4.576 4.470 0.000 0.000 0.225 242 S C 0.218 174.819 174.600 0.000 0.000 1.039 242 S CA -0.367 57.833 58.200 -0.000 0.000 0.942 242 S CB 0.161 63.361 63.200 0.000 0.000 0.881 242 S HN 0.649 nan 8.310 nan 0.000 0.503 243 D N 1.980 122.381 120.400 0.001 0.000 2.453 243 D HA 0.367 5.007 4.640 0.000 0.000 0.238 243 D C 0.567 176.868 176.300 0.001 0.000 1.088 243 D CA -0.758 53.243 54.000 0.002 0.000 0.854 243 D CB 0.873 41.675 40.800 0.003 0.000 1.076 243 D HN 0.437 nan 8.370 nan 0.000 0.533 244 I N 0.980 121.550 120.570 0.000 0.000 3.875 244 I HA 0.145 4.316 4.170 0.000 0.000 0.329 244 I C 1.501 177.618 176.117 0.000 0.000 1.295 244 I CA -0.142 61.158 61.300 -0.001 0.000 1.129 244 I CB -0.136 37.862 38.000 -0.003 0.000 1.008 244 I HN 0.250 nan 8.210 nan 0.000 0.413 245 T N -0.377 114.178 114.554 0.001 0.000 2.778 245 T HA -0.028 4.322 4.350 0.000 0.000 0.269 245 T C -0.305 174.397 174.700 0.002 0.000 1.050 245 T CA 1.213 63.314 62.100 0.001 0.000 1.137 245 T CB -1.940 66.929 68.868 0.002 0.000 0.860 245 T HN 0.312 nan 8.240 nan 0.000 0.468 246 P HA 0.082 nan 4.420 nan 0.000 0.221 246 P C 1.371 178.673 177.300 0.003 0.000 1.145 246 P CA 0.700 63.802 63.100 0.004 0.000 0.795 246 P CB -0.318 31.387 31.700 0.007 0.000 0.775 247 L N -1.888 119.336 121.223 0.002 0.000 2.465 247 L HA 0.013 4.353 4.340 0.000 0.000 0.224 247 L C 2.498 179.368 176.870 -0.000 0.000 1.145 247 L CA 0.885 55.725 54.840 -0.000 0.000 0.834 247 L CB -1.405 40.653 42.059 -0.002 0.000 0.944 247 L HN 0.067 nan 8.230 nan 0.000 0.451 248 G N 2.213 111.013 108.800 0.000 0.000 2.513 248 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 248 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 248 G C 1.445 176.345 174.900 0.000 0.000 1.160 248 G CA 1.278 46.378 45.100 -0.000 0.000 0.767 248 G HN 0.628 nan 8.290 nan 0.000 0.571 249 I N -1.681 118.890 120.570 0.001 0.000 3.684 249 I HA 0.356 4.526 4.170 0.000 0.000 0.304 249 I C 0.652 176.769 176.117 0.001 0.000 1.278 249 I CA 0.013 61.314 61.300 0.001 0.000 1.272 249 I CB 0.040 38.041 38.000 0.002 0.000 1.029 249 I HN -0.070 nan 8.210 nan 0.000 0.458 250 L N 2.842 124.065 121.223 0.000 0.000 2.796 250 L HA 0.165 4.505 4.340 0.000 0.000 0.235 250 L C 1.662 178.530 176.870 -0.002 0.000 1.344 250 L CA -0.128 54.712 54.840 -0.001 0.000 1.245 250 L CB -0.437 41.621 42.059 -0.001 0.000 1.556 250 L HN 0.371 nan 8.230 nan 0.000 0.423 251 T N -4.373 110.180 114.554 -0.002 0.000 3.051 251 T HA -0.089 4.261 4.350 0.000 0.000 0.269 251 T C 1.360 176.059 174.700 -0.003 0.000 1.127 251 T CA 0.586 62.685 62.100 -0.002 0.000 1.107 251 T CB -0.161 68.706 68.868 -0.002 0.000 0.898 251 T HN 0.371 nan 8.240 nan 0.000 0.517 252 N N 1.042 119.740 118.700 -0.003 0.000 2.461 252 N HA 0.160 4.900 4.740 0.000 0.000 0.188 252 N C 0.168 175.675 175.510 -0.006 0.000 1.134 252 N CA 0.079 53.126 53.050 -0.004 0.000 0.878 252 N CB -0.099 38.386 38.487 -0.003 0.000 0.972 252 N HN 0.479 nan 8.380 nan 0.000 0.456 253 L N 1.847 123.066 121.223 -0.007 0.000 2.477 253 L HA -0.018 4.322 4.340 0.000 0.000 0.272 253 L C 1.118 177.982 176.870 -0.010 0.000 1.157 253 L CA -0.020 54.814 54.840 -0.010 0.000 0.889 253 L CB 0.542 42.595 42.059 -0.010 0.000 1.158 253 L HN 0.140 nan 8.230 nan 0.000 0.473 254 D N 0.575 120.968 120.400 -0.012 0.000 2.423 254 D HA 0.004 4.644 4.640 0.000 0.000 0.212 254 D C 0.385 176.675 176.300 -0.017 0.000 1.060 254 D CA -0.136 53.856 54.000 -0.013 0.000 0.872 254 D CB 0.500 41.292 40.800 -0.012 0.000 1.012 254 D HN 0.446 nan 8.370 nan 0.000 0.503 255 E N 0.006 120.194 120.200 -0.020 0.000 2.246 255 E HA 0.489 4.839 4.350 0.000 0.000 0.266 255 E C -1.988 174.596 176.600 -0.027 0.000 0.880 255 E CA -1.058 55.327 56.400 -0.025 0.000 0.762 255 E CB 1.588 31.270 29.700 -0.030 0.000 1.180 255 E HN 0.081 nan 8.360 nan 0.000 0.416 256 L N 3.396 124.603 121.223 -0.026 0.000 2.470 256 L HA 0.494 4.834 4.340 0.000 0.000 0.268 256 L C -1.620 175.233 176.870 -0.029 0.000 0.964 256 L CA -0.236 54.588 54.840 -0.027 0.000 0.839 256 L CB 2.125 44.171 42.059 -0.020 0.000 1.276 256 L HN 0.387 nan 8.230 nan 0.000 0.403 257 S N 5.239 120.918 115.700 -0.035 0.000 2.659 257 S HA 0.655 5.125 4.470 0.000 0.000 0.312 257 S C -0.313 174.266 174.600 -0.035 0.000 1.114 257 S CA -0.413 57.766 58.200 -0.036 0.000 1.063 257 S CB 0.555 63.729 63.200 -0.044 0.000 0.996 257 S HN 0.684 nan 8.310 nan 0.000 0.478 258 L N 4.078 125.284 121.223 -0.028 0.000 3.289 258 L HA 0.383 4.723 4.340 0.000 0.000 0.291 258 L C 0.588 177.444 176.870 -0.023 0.000 1.279 258 L CA -0.398 54.428 54.840 -0.024 0.000 1.025 258 L CB 0.224 42.271 42.059 -0.019 0.000 1.413 258 L HN 0.549 nan 8.230 nan 0.000 0.593 259 N N 2.162 120.846 118.700 -0.026 0.000 2.447 259 N HA 0.037 4.777 4.740 0.000 0.000 0.263 259 N C 0.821 176.317 175.510 -0.023 0.000 1.226 259 N CA 1.520 54.556 53.050 -0.024 0.000 0.906 259 N CB 0.983 39.453 38.487 -0.028 0.000 1.060 259 N HN 0.430 nan 8.380 nan 0.000 0.468 260 G N 2.493 111.281 108.800 -0.019 0.000 2.401 260 G HA2 -0.207 3.753 3.960 0.000 0.000 0.283 260 G HA3 -0.207 3.753 3.960 0.000 0.000 0.283 260 G C -0.242 174.649 174.900 -0.015 0.000 1.117 260 G CA -0.265 44.825 45.100 -0.018 0.000 1.051 260 G HN 0.733 nan 8.290 nan 0.000 0.510 261 N N -1.089 117.603 118.700 -0.013 0.000 3.455 261 N HA 0.462 5.202 4.740 0.000 0.000 0.358 261 N C 0.036 175.541 175.510 -0.008 0.000 1.580 261 N CA -0.629 52.415 53.050 -0.010 0.000 0.692 261 N CB 0.701 39.182 38.487 -0.010 0.000 1.978 261 N HN 0.120 nan 8.380 nan 0.000 0.651 262 Q N 1.231 121.028 119.800 -0.006 0.000 2.233 262 Q HA 0.408 4.748 4.340 0.000 0.000 0.340 262 Q C -0.679 175.319 176.000 -0.004 0.000 0.899 262 Q CA -0.159 55.642 55.803 -0.004 0.000 1.139 262 Q CB 0.352 29.088 28.738 -0.002 0.000 1.273 262 Q HN 0.418 nan 8.270 nan 0.000 0.431 263 L N 0.399 121.619 121.223 -0.005 0.000 2.380 263 L HA 0.221 4.561 4.340 0.000 0.000 0.273 263 L C 1.279 178.146 176.870 -0.004 0.000 1.138 263 L CA 0.305 55.142 54.840 -0.005 0.000 0.832 263 L CB 0.808 42.863 42.059 -0.006 0.000 1.124 263 L HN 0.123 nan 8.230 nan 0.000 0.454 264 K N 0.967 121.365 120.400 -0.003 0.000 2.638 264 K HA 0.045 4.365 4.320 0.000 0.000 0.207 264 K C 0.062 176.661 176.600 -0.002 0.000 1.429 264 K CA -0.372 55.914 56.287 -0.002 0.000 0.957 264 K CB 0.477 32.976 32.500 -0.001 0.000 1.733 264 K HN 0.568 nan 8.250 nan 0.000 0.474 265 D N 2.120 122.519 120.400 -0.001 0.000 2.344 265 D HA 0.056 4.696 4.640 0.000 0.000 0.253 265 D C 0.454 176.752 176.300 -0.002 0.000 1.255 265 D CA -0.185 53.814 54.000 -0.001 0.000 0.894 265 D CB 0.593 41.393 40.800 -0.001 0.000 1.067 265 D HN 0.401 nan 8.370 nan 0.000 0.492 266 I N 0.848 121.417 120.570 -0.002 0.000 3.889 266 I HA 0.418 4.588 4.170 0.000 0.000 0.332 266 I C 1.609 177.724 176.117 -0.002 0.000 1.493 266 I CA -0.770 60.528 61.300 -0.003 0.000 1.158 266 I CB 0.581 38.579 38.000 -0.004 0.000 1.117 266 I HN 0.309 nan 8.210 nan 0.000 0.411 267 G N 1.700 110.499 108.800 -0.002 0.000 2.469 267 G HA2 -0.265 3.695 3.960 0.000 0.000 0.220 267 G HA3 -0.265 3.695 3.960 0.000 0.000 0.220 267 G C 1.417 176.316 174.900 -0.001 0.000 1.136 267 G CA 1.775 46.874 45.100 -0.001 0.000 0.759 267 G HN 0.426 nan 8.290 nan 0.000 0.562 268 T N 1.492 116.045 114.554 -0.002 0.000 2.737 268 T HA -0.096 4.254 4.350 0.000 0.000 0.269 268 T C 2.319 177.018 174.700 -0.002 0.000 1.040 268 T CA 1.016 63.115 62.100 -0.002 0.000 1.142 268 T CB -0.215 68.652 68.868 -0.001 0.000 0.861 268 T HN 0.227 nan 8.240 nan 0.000 0.456 269 L N 0.738 121.959 121.223 -0.003 0.000 2.265 269 L HA -0.051 4.289 4.340 0.000 0.000 0.215 269 L C 2.964 179.832 176.870 -0.003 0.000 1.117 269 L CA 0.743 55.581 54.840 -0.004 0.000 0.782 269 L CB -0.765 41.291 42.059 -0.005 0.000 0.914 269 L HN 0.248 nan 8.230 nan 0.000 0.441 270 A N -0.285 122.533 122.820 -0.002 0.000 2.024 270 A HA -0.174 4.146 4.320 0.000 0.000 0.220 270 A C 2.457 180.040 177.584 -0.002 0.000 1.164 270 A CA 1.947 53.982 52.037 -0.002 0.000 0.643 270 A CB -0.397 18.602 19.000 -0.002 0.000 0.806 270 A HN 0.411 nan 8.150 nan 0.000 0.451 271 S N -0.425 115.274 115.700 -0.002 0.000 2.481 271 S HA 0.107 4.577 4.470 0.000 0.000 0.231 271 S C 0.742 175.340 174.600 -0.002 0.000 0.996 271 S CA 0.329 58.528 58.200 -0.002 0.000 0.942 271 S CB -0.214 62.986 63.200 -0.001 0.000 0.768 271 S HN 0.500 nan 8.310 nan 0.000 0.520 272 L N 3.111 124.332 121.223 -0.003 0.000 2.536 272 L HA 0.183 4.523 4.340 0.000 0.000 0.242 272 L C 1.577 178.445 176.870 -0.004 0.000 1.280 272 L CA -0.249 54.589 54.840 -0.004 0.000 1.221 272 L CB -0.569 41.487 42.059 -0.005 0.000 1.449 272 L HN 0.274 nan 8.230 nan 0.000 0.405 273 T N -4.232 110.320 114.554 -0.003 0.000 3.072 273 T HA -0.058 4.292 4.350 0.000 0.000 0.266 273 T C 1.348 176.046 174.700 -0.004 0.000 1.127 273 T CA 0.466 62.564 62.100 -0.003 0.000 1.107 273 T CB -0.104 68.762 68.868 -0.002 0.000 0.910 273 T HN 0.360 nan 8.240 nan 0.000 0.513 274 N N 1.061 119.759 118.700 -0.004 0.000 2.461 274 N HA 0.182 4.922 4.740 0.000 0.000 0.188 274 N C 0.209 175.715 175.510 -0.007 0.000 1.134 274 N CA 0.057 53.104 53.050 -0.005 0.000 0.878 274 N CB -0.136 38.348 38.487 -0.005 0.000 0.972 274 N HN 0.480 nan 8.380 nan 0.000 0.456 275 L N 1.281 122.500 121.223 -0.007 0.000 2.462 275 L HA 0.012 4.352 4.340 0.000 0.000 0.272 275 L C 1.780 178.645 176.870 -0.008 0.000 1.166 275 L CA 0.162 54.996 54.840 -0.008 0.000 0.880 275 L CB 0.720 42.774 42.059 -0.008 0.000 1.142 275 L HN 0.139 nan 8.230 nan 0.000 0.473 276 T N -2.725 111.823 114.554 -0.010 0.000 2.990 276 T HA 0.080 4.430 4.350 0.000 0.000 0.249 276 T C 0.237 174.930 174.700 -0.011 0.000 1.039 276 T CA -0.161 61.934 62.100 -0.009 0.000 1.036 276 T CB 0.350 69.212 68.868 -0.010 0.000 0.994 276 T HN 0.461 nan 8.240 nan 0.000 0.489 277 D N 0.586 120.977 120.400 -0.015 0.000 2.575 277 D HA 0.490 5.130 4.640 0.000 0.000 0.250 277 D C -1.743 174.546 176.300 -0.019 0.000 1.279 277 D CA -0.628 53.361 54.000 -0.019 0.000 0.925 277 D CB 1.648 42.433 40.800 -0.025 0.000 1.261 277 D HN 0.248 nan 8.370 nan 0.000 0.567 278 L N 3.622 124.836 121.223 -0.015 0.000 2.409 278 L HA 0.574 4.914 4.340 0.000 0.000 0.272 278 L C -1.604 175.257 176.870 -0.015 0.000 0.980 278 L CA -0.439 54.392 54.840 -0.015 0.000 0.826 278 L CB 1.933 43.986 42.059 -0.010 0.000 1.268 278 L HN 0.207 nan 8.230 nan 0.000 0.407 279 D N 4.977 125.365 120.400 -0.019 0.000 2.471 279 D HA 0.367 5.007 4.640 0.000 0.000 0.245 279 D C -0.298 175.991 176.300 -0.018 0.000 1.116 279 D CA -0.073 53.915 54.000 -0.019 0.000 0.853 279 D CB 1.130 41.914 40.800 -0.026 0.000 1.123 279 D HN 0.662 nan 8.370 nan 0.000 0.540 280 L N 2.307 123.521 121.223 -0.015 0.000 3.168 280 L HA 0.447 4.787 4.340 0.000 0.000 0.277 280 L C 0.921 177.781 176.870 -0.015 0.000 1.245 280 L CA -0.528 54.303 54.840 -0.015 0.000 1.035 280 L CB 0.584 42.636 42.059 -0.012 0.000 1.399 280 L HN 0.306 nan 8.230 nan 0.000 0.580 281 A N 0.127 122.937 122.820 -0.017 0.000 2.425 281 A HA 0.238 4.558 4.320 0.000 0.000 0.242 281 A C 0.703 178.276 177.584 -0.019 0.000 1.077 281 A CA 0.010 52.036 52.037 -0.019 0.000 0.781 281 A CB -0.005 18.985 19.000 -0.018 0.000 1.020 281 A HN 0.599 nan 8.150 nan 0.000 0.494 282 N N 1.019 119.707 118.700 -0.020 0.000 2.726 282 N HA -0.133 4.607 4.740 0.000 0.000 0.253 282 N C -0.523 174.977 175.510 -0.016 0.000 1.059 282 N CA 1.087 54.125 53.050 -0.019 0.000 0.701 282 N CB -1.110 37.366 38.487 -0.019 0.000 0.899 282 N HN 0.775 nan 8.380 nan 0.000 0.548 283 N N 0.097 118.788 118.700 -0.014 0.000 3.439 283 N HA 0.315 5.055 4.740 0.000 0.000 0.343 283 N C -0.095 175.410 175.510 -0.009 0.000 1.597 283 N CA -0.376 52.668 53.050 -0.011 0.000 0.733 283 N CB 0.374 38.855 38.487 -0.010 0.000 1.973 283 N HN 0.025 nan 8.380 nan 0.000 0.646 284 Q N 0.769 120.565 119.800 -0.006 0.000 2.182 284 Q HA 0.494 4.834 4.340 0.000 0.000 0.305 284 Q C -0.820 175.178 176.000 -0.003 0.000 0.880 284 Q CA -0.096 55.705 55.803 -0.004 0.000 1.131 284 Q CB 0.036 28.773 28.738 -0.002 0.000 1.237 284 Q HN 0.428 nan 8.270 nan 0.000 0.447 285 I N -0.033 120.534 120.570 -0.004 0.000 2.471 285 I HA 0.054 4.224 4.170 0.000 0.000 0.286 285 I C 0.933 177.048 176.117 -0.002 0.000 1.079 285 I CA 0.389 61.687 61.300 -0.004 0.000 1.398 285 I CB 1.317 39.314 38.000 -0.006 0.000 1.403 285 I HN 0.155 nan 8.210 nan 0.000 0.530 286 S N 3.271 118.970 115.700 -0.001 0.000 2.613 286 S HA 0.072 4.542 4.470 0.000 0.000 0.235 286 S C 0.582 175.182 174.600 -0.000 0.000 1.073 286 S CA -0.067 58.133 58.200 0.000 0.000 0.899 286 S CB 0.096 63.297 63.200 0.002 0.000 0.818 286 S HN 0.686 nan 8.310 nan 0.000 0.484 287 N N 1.990 120.690 118.700 -0.001 0.000 2.527 287 N HA 0.307 5.047 4.740 0.000 0.000 0.236 287 N C 0.101 175.611 175.510 -0.001 0.000 0.999 287 N CA -0.127 52.923 53.050 -0.001 0.000 0.935 287 N CB 0.312 38.799 38.487 -0.000 0.000 1.132 287 N HN 0.152 nan 8.380 nan 0.000 0.511 288 L N 2.123 123.345 121.223 -0.002 0.000 2.591 288 L HA 0.212 4.552 4.340 0.000 0.000 0.228 288 L C 2.048 178.917 176.870 -0.002 0.000 1.133 288 L CA 0.090 54.928 54.840 -0.002 0.000 0.880 288 L CB -0.246 41.812 42.059 -0.002 0.000 1.033 288 L HN 0.528 nan 8.230 nan 0.000 0.450 289 A N 1.435 124.254 122.820 -0.001 0.000 1.958 289 A HA -0.159 4.161 4.320 0.000 0.000 0.221 289 A C -0.046 177.537 177.584 -0.001 0.000 1.178 289 A CA 1.716 53.752 52.037 -0.001 0.000 0.642 289 A CB -1.602 17.398 19.000 -0.001 0.000 0.816 289 A HN 0.288 nan 8.150 nan 0.000 0.453 290 P HA -0.118 nan 4.420 nan 0.000 0.219 290 P C 1.084 178.383 177.300 -0.002 0.000 1.146 290 P CA 0.806 63.905 63.100 -0.002 0.000 0.808 290 P CB -0.109 31.590 31.700 -0.002 0.000 0.779 291 L N -1.099 120.123 121.223 -0.002 0.000 2.492 291 L HA -0.025 4.315 4.340 0.000 0.000 0.223 291 L C 2.345 179.214 176.870 -0.001 0.000 1.132 291 L CA 1.018 55.856 54.840 -0.002 0.000 0.850 291 L CB -0.981 41.077 42.059 -0.002 0.000 0.966 291 L HN 0.111 nan 8.230 nan 0.000 0.454 292 S N 0.260 115.959 115.700 -0.001 0.000 2.400 292 S HA -0.143 4.327 4.470 0.000 0.000 0.232 292 S C 1.825 176.424 174.600 -0.001 0.000 1.025 292 S CA 1.260 59.460 58.200 -0.001 0.000 0.993 292 S CB -0.693 62.506 63.200 -0.001 0.000 0.808 292 S HN 0.438 nan 8.310 nan 0.000 0.478 293 G N 0.438 109.237 108.800 -0.001 0.000 3.088 293 G HA2 0.383 4.343 3.960 0.000 0.000 0.217 293 G HA3 0.383 4.343 3.960 0.000 0.000 0.217 293 G C 0.482 175.381 174.900 -0.001 0.000 1.159 293 G CA -0.422 44.678 45.100 -0.001 0.000 0.760 293 G HN 0.508 nan 8.290 nan 0.000 0.550 294 L N 2.832 124.054 121.223 -0.001 0.000 2.583 294 L HA 0.129 4.469 4.340 0.000 0.000 0.239 294 L C 2.018 178.887 176.870 -0.001 0.000 1.347 294 L CA -0.082 54.757 54.840 -0.002 0.000 1.246 294 L CB -0.180 41.878 42.059 -0.002 0.000 1.496 294 L HN 0.216 nan 8.230 nan 0.000 0.413 295 T N -3.962 110.592 114.554 -0.001 0.000 3.113 295 T HA -0.079 4.271 4.350 0.000 0.000 0.263 295 T C 1.405 176.105 174.700 -0.000 0.000 1.143 295 T CA 0.529 62.629 62.100 -0.000 0.000 1.090 295 T CB -0.068 68.800 68.868 -0.000 0.000 0.922 295 T HN 0.391 nan 8.240 nan 0.000 0.521 296 K N 0.543 120.942 120.400 -0.001 0.000 2.444 296 K HA 0.294 4.614 4.320 0.000 0.000 0.193 296 K C 0.230 176.829 176.600 -0.002 0.000 1.024 296 K CA -0.146 56.140 56.287 -0.002 0.000 1.077 296 K CB -0.029 32.469 32.500 -0.003 0.000 0.833 296 K HN 0.401 nan 8.250 nan 0.000 0.517 297 L N 2.257 123.479 121.223 -0.001 0.000 2.534 297 L HA -0.041 4.300 4.340 0.000 0.000 0.271 297 L C 1.633 178.505 176.870 0.002 0.000 1.178 297 L CA 0.124 54.964 54.840 -0.001 0.000 0.907 297 L CB 0.551 42.611 42.059 0.001 0.000 1.164 297 L HN 0.250 nan 8.230 nan 0.000 0.482 298 T N -1.141 113.414 114.554 0.001 0.000 3.015 298 T HA 0.162 4.512 4.350 0.000 0.000 0.250 298 T C 0.517 175.221 174.700 0.007 0.000 1.057 298 T CA -0.093 62.009 62.100 0.004 0.000 1.066 298 T CB 0.286 69.153 68.868 -0.001 0.000 0.959 298 T HN 0.557 nan 8.240 nan 0.000 0.488 299 E N 0.776 120.978 120.200 0.002 0.000 2.241 299 E HA 0.587 4.937 4.350 0.000 0.000 0.263 299 E C -2.066 174.538 176.600 0.006 0.000 0.882 299 E CA -0.865 55.538 56.400 0.005 0.000 0.769 299 E CB 2.481 32.172 29.700 -0.014 0.000 1.185 299 E HN 0.138 nan 8.360 nan 0.000 0.415 300 L N 2.740 123.973 121.223 0.018 0.000 2.441 300 L HA 0.401 4.741 4.340 0.000 0.000 0.270 300 L C -1.547 175.334 176.870 0.019 0.000 0.973 300 L CA -0.449 54.399 54.840 0.013 0.000 0.842 300 L CB 1.299 43.365 42.059 0.012 0.000 1.239 300 L HN 0.346 nan 8.230 nan 0.000 0.406 301 K N 6.206 126.611 120.400 0.008 0.000 2.307 301 K HA 0.559 4.879 4.320 0.000 0.000 0.263 301 K C -0.241 176.357 176.600 -0.004 0.000 0.973 301 K CA -0.321 55.970 56.287 0.008 0.000 0.846 301 K CB 1.713 34.215 32.500 0.003 0.000 1.100 301 K HN 0.635 nan 8.250 nan 0.000 0.438 302 L N 1.964 123.181 121.223 -0.010 0.000 3.333 302 L HA 0.224 4.564 4.340 0.000 0.000 0.299 302 L C 0.743 177.593 176.870 -0.033 0.000 1.256 302 L CA -0.466 54.363 54.840 -0.018 0.000 1.037 302 L CB 1.209 43.260 42.059 -0.014 0.000 1.423 302 L HN 0.715 nan 8.230 nan 0.000 0.605 303 G N -0.070 108.703 108.800 -0.045 0.000 2.544 303 G HA2 0.367 4.327 3.960 0.000 0.000 0.242 303 G HA3 0.367 4.327 3.960 0.000 0.000 0.242 303 G C 0.778 175.647 174.900 -0.052 0.000 1.247 303 G CA 0.437 45.491 45.100 -0.076 0.000 0.840 303 G HN 0.447 nan 8.290 nan 0.000 0.578 304 A N 1.015 123.802 122.820 -0.056 0.000 2.648 304 A HA -0.150 4.170 4.320 0.000 0.000 0.297 304 A C 0.563 178.133 177.584 -0.023 0.000 1.467 304 A CA 0.847 52.863 52.037 -0.035 0.000 0.731 304 A CB -2.004 16.977 19.000 -0.033 0.000 1.085 304 A HN 0.771 nan 8.150 nan 0.000 0.437 305 N N -0.942 117.747 118.700 -0.018 0.000 3.379 305 N HA 0.515 5.255 4.740 0.000 0.000 0.350 305 N C -0.133 175.375 175.510 -0.003 0.000 1.553 305 N CA -0.575 52.469 53.050 -0.011 0.000 0.712 305 N CB 0.526 39.006 38.487 -0.012 0.000 1.880 305 N HN 0.333 nan 8.380 nan 0.000 0.648 306 Q N 1.105 120.905 119.800 -0.001 0.000 2.302 306 Q HA 0.442 4.782 4.340 0.000 0.000 0.332 306 Q C -0.569 175.434 176.000 0.004 0.000 0.913 306 Q CA -0.137 55.669 55.803 0.004 0.000 1.098 306 Q CB 0.098 28.838 28.738 0.004 0.000 1.236 306 Q HN 0.466 nan 8.270 nan 0.000 0.436 307 I N 1.139 121.710 120.570 0.003 0.000 2.342 307 I HA 0.071 4.241 4.170 0.000 0.000 0.291 307 I C 1.155 177.276 176.117 0.006 0.000 1.010 307 I CA 0.037 61.338 61.300 0.002 0.000 1.308 307 I CB 1.267 39.265 38.000 -0.003 0.000 1.400 307 I HN 0.083 nan 8.210 nan 0.000 0.488 308 S N 2.973 118.677 115.700 0.006 0.000 2.578 308 S HA 0.215 4.685 4.470 0.000 0.000 0.228 308 S C 0.386 174.989 174.600 0.004 0.000 1.022 308 S CA -0.341 57.863 58.200 0.007 0.000 0.967 308 S CB 0.129 63.334 63.200 0.009 0.000 0.914 308 S HN 0.636 nan 8.310 nan 0.000 0.515 309 N N 1.597 120.298 118.700 0.002 0.000 2.519 309 N HA 0.390 5.130 4.740 0.000 0.000 0.286 309 N C -0.160 175.350 175.510 -0.001 0.000 1.079 309 N CA -0.578 52.472 53.050 0.000 0.000 0.878 309 N CB 1.719 40.206 38.487 0.000 0.000 1.375 309 N HN 0.441 nan 8.380 nan 0.000 0.514 310 I N 0.086 120.655 120.570 -0.003 0.000 3.904 310 I HA 0.272 4.442 4.170 0.000 0.000 0.333 310 I C 1.053 177.168 176.117 -0.003 0.000 1.361 310 I CA -0.222 61.076 61.300 -0.003 0.000 1.116 310 I CB 0.273 38.270 38.000 -0.004 0.000 1.028 310 I HN 0.093 nan 8.210 nan 0.000 0.398 311 S N 2.584 118.282 115.700 -0.003 0.000 2.392 311 S HA -0.090 4.380 4.470 0.000 0.000 0.232 311 S C -0.389 174.209 174.600 -0.002 0.000 1.041 311 S CA 1.867 60.065 58.200 -0.003 0.000 1.026 311 S CB -1.221 61.977 63.200 -0.003 0.000 0.845 311 S HN 0.463 nan 8.310 nan 0.000 0.465 312 P HA 0.002 nan 4.420 nan 0.000 0.225 312 P C 0.824 178.123 177.300 -0.001 0.000 1.148 312 P CA 0.806 63.905 63.100 -0.001 0.000 0.779 312 P CB -0.084 31.615 31.700 -0.001 0.000 0.780 313 L N -2.036 119.187 121.223 -0.001 0.000 2.591 313 L HA 0.148 4.488 4.340 0.000 0.000 0.228 313 L C 2.171 179.041 176.870 0.000 0.000 1.133 313 L CA 0.299 55.139 54.840 -0.000 0.000 0.880 313 L CB -0.742 41.317 42.059 0.000 0.000 1.033 313 L HN -0.048 nan 8.230 nan 0.000 0.450 314 A N 0.772 123.591 122.820 -0.001 0.000 1.972 314 A HA -0.101 4.219 4.320 0.000 0.000 0.219 314 A C 2.198 179.782 177.584 -0.001 0.000 1.169 314 A CA 1.686 53.722 52.037 -0.002 0.000 0.635 314 A CB -0.726 18.273 19.000 -0.003 0.000 0.810 314 A HN 0.425 nan 8.150 nan 0.000 0.446 315 G N -0.988 107.812 108.800 -0.000 0.000 2.985 315 G HA2 0.324 4.285 3.960 0.000 0.000 0.209 315 G HA3 0.324 4.285 3.960 0.000 0.000 0.209 315 G C 0.572 175.472 174.900 0.001 0.000 1.165 315 G CA -0.211 44.889 45.100 0.000 0.000 0.776 315 G HN 0.401 nan 8.290 nan 0.000 0.541 316 L N 2.670 123.895 121.223 0.002 0.000 2.583 316 L HA 0.143 4.483 4.340 0.000 0.000 0.239 316 L C 2.098 178.971 176.870 0.005 0.000 1.347 316 L CA -0.100 54.742 54.840 0.004 0.000 1.246 316 L CB -0.180 41.881 42.059 0.004 0.000 1.496 316 L HN 0.201 nan 8.230 nan 0.000 0.413 317 T N -3.486 111.070 114.554 0.004 0.000 3.007 317 T HA -0.109 4.241 4.350 0.000 0.000 0.270 317 T C 1.714 176.418 174.700 0.007 0.000 1.107 317 T CA 0.861 62.964 62.100 0.005 0.000 1.118 317 T CB 0.136 69.006 68.868 0.004 0.000 0.889 317 T HN 0.471 nan 8.240 nan 0.000 0.506 318 A N 0.836 123.660 122.820 0.006 0.000 2.235 318 A HA 0.429 4.750 4.320 0.000 0.000 0.208 318 A C 1.013 178.603 177.584 0.011 0.000 1.172 318 A CA -0.170 51.871 52.037 0.007 0.000 0.786 318 A CB -0.667 18.335 19.000 0.004 0.000 0.804 318 A HN 0.596 nan 8.150 nan 0.000 0.479 319 L N 0.894 122.125 121.223 0.014 0.000 2.462 319 L HA 0.058 4.398 4.340 0.000 0.000 0.272 319 L C 1.845 178.733 176.870 0.030 0.000 1.166 319 L CA 0.346 55.199 54.840 0.021 0.000 0.880 319 L CB 0.875 42.949 42.059 0.024 0.000 1.142 319 L HN 0.520 nan 8.230 nan 0.000 0.473 320 T N -1.368 113.207 114.554 0.035 0.000 3.018 320 T HA 0.132 4.482 4.350 0.000 0.000 0.246 320 T C 0.615 175.368 174.700 0.089 0.000 1.026 320 T CA -0.133 61.996 62.100 0.048 0.000 1.081 320 T CB 0.162 69.049 68.868 0.031 0.000 0.970 320 T HN 0.457 nan 8.240 nan 0.000 0.475 321 N N 0.900 119.654 118.700 0.091 0.000 2.354 321 N HA 0.684 5.424 4.740 0.000 0.000 0.287 321 N C -1.999 173.593 175.510 0.135 0.000 1.016 321 N CA -0.632 52.518 53.050 0.165 0.000 0.871 321 N CB 2.235 40.781 38.487 0.098 0.000 1.299 321 N HN 0.224 nan 8.380 nan 0.000 0.482 322 L N 1.120 122.439 121.223 0.159 0.000 2.438 322 L HA 0.505 4.845 4.340 0.000 0.000 0.270 322 L C -1.184 175.740 176.870 0.090 0.000 0.972 322 L CA -0.349 54.547 54.840 0.093 0.000 0.831 322 L CB 1.646 43.737 42.059 0.053 0.000 1.273 322 L HN 0.513 nan 8.230 nan 0.000 0.405 323 E N 6.104 126.342 120.200 0.063 0.000 2.155 323 E HA 0.403 4.753 4.350 0.000 0.000 0.264 323 E C -0.322 176.261 176.600 -0.027 0.000 0.886 323 E CA -0.246 56.168 56.400 0.024 0.000 0.752 323 E CB 1.890 31.621 29.700 0.051 0.000 1.133 323 E HN 0.658 nan 8.360 nan 0.000 0.414 324 L N 2.592 123.776 121.223 -0.064 0.000 3.184 324 L HA 0.106 4.446 4.340 0.000 0.000 0.283 324 L C 0.404 177.198 176.870 -0.127 0.000 1.218 324 L CA -0.361 54.438 54.840 -0.069 0.000 1.028 324 L CB 0.094 42.134 42.059 -0.032 0.000 1.400 324 L HN 0.475 nan 8.230 nan 0.000 0.591 325 N N 1.152 119.683 118.700 -0.281 0.000 2.374 325 N HA -0.102 4.638 4.740 0.000 0.000 0.241 325 N C -0.227 175.137 175.510 -0.243 0.000 1.262 325 N CA 0.194 52.947 53.050 -0.494 0.000 0.880 325 N CB 0.489 38.110 38.487 -1.444 0.000 1.105 325 N HN 0.162 nan 8.380 nan 0.000 0.438 326 E N -1.221 118.924 120.200 -0.092 0.000 2.287 326 E HA -0.190 4.160 4.350 0.000 0.000 0.229 326 E C -0.731 175.875 176.600 0.009 0.000 1.194 326 E CA 0.430 56.840 56.400 0.017 0.000 0.704 326 E CB -1.055 28.626 29.700 -0.031 0.000 1.216 326 E HN 0.643 nan 8.360 nan 0.000 0.381 327 N N -0.134 118.581 118.700 0.026 0.000 3.369 327 N HA 0.337 5.077 4.740 0.000 0.000 0.362 327 N C -0.255 175.280 175.510 0.042 0.000 1.523 327 N CA -0.542 52.520 53.050 0.020 0.000 0.684 327 N CB 0.686 39.172 38.487 -0.001 0.000 1.796 327 N HN -0.018 nan 8.380 nan 0.000 0.641 328 Q N 0.839 120.658 119.800 0.031 0.000 2.324 328 Q HA 0.467 4.807 4.340 0.000 0.000 0.373 328 Q C -0.765 175.251 176.000 0.026 0.000 0.909 328 Q CA -0.066 55.758 55.803 0.034 0.000 1.135 328 Q CB 0.395 29.150 28.738 0.029 0.000 1.313 328 Q HN 0.311 nan 8.270 nan 0.000 0.417 329 L N 0.067 121.305 121.223 0.026 0.000 2.395 329 L HA 0.279 4.619 4.340 0.000 0.000 0.269 329 L C 1.008 177.890 176.870 0.019 0.000 1.133 329 L CA 0.248 55.098 54.840 0.017 0.000 0.812 329 L CB 1.054 43.120 42.059 0.012 0.000 1.125 329 L HN 0.397 nan 8.230 nan 0.000 0.452 330 E N -0.143 120.064 120.200 0.011 0.000 3.844 330 E HA 0.025 4.375 4.350 0.000 0.000 0.201 330 E C -0.497 176.101 176.600 -0.002 0.000 1.278 330 E CA -0.426 55.979 56.400 0.008 0.000 1.565 330 E CB 0.411 30.117 29.700 0.010 0.000 1.543 330 E HN 0.531 nan 8.360 nan 0.000 0.584 331 D N 1.814 122.212 120.400 -0.004 0.000 2.346 331 D HA 0.050 4.691 4.640 0.000 0.000 0.260 331 D C 0.370 176.662 176.300 -0.013 0.000 1.252 331 D CA 0.119 54.113 54.000 -0.010 0.000 0.895 331 D CB 0.567 41.363 40.800 -0.008 0.000 1.097 331 D HN 0.224 nan 8.370 nan 0.000 0.489 332 I N 0.440 120.997 120.570 -0.021 0.000 3.927 332 I HA 0.164 4.334 4.170 0.000 0.000 0.332 332 I C 1.292 177.394 176.117 -0.025 0.000 1.485 332 I CA -0.518 60.767 61.300 -0.024 0.000 1.131 332 I CB 0.418 38.400 38.000 -0.031 0.000 1.092 332 I HN -0.023 nan 8.210 nan 0.000 0.410 333 S N 2.624 118.311 115.700 -0.022 0.000 2.380 333 S HA -0.090 4.380 4.470 0.000 0.000 0.229 333 S C -0.486 174.104 174.600 -0.017 0.000 1.043 333 S CA 1.865 60.053 58.200 -0.021 0.000 1.038 333 S CB -1.281 61.908 63.200 -0.017 0.000 0.872 333 S HN 0.454 nan 8.310 nan 0.000 0.456 334 P HA -0.060 nan 4.420 nan 0.000 0.221 334 P C 1.400 178.694 177.300 -0.009 0.000 1.145 334 P CA 0.786 63.880 63.100 -0.010 0.000 0.795 334 P CB -0.383 31.312 31.700 -0.007 0.000 0.775 335 I N -3.319 117.244 120.570 -0.012 0.000 3.111 335 I HA -0.073 4.097 4.170 0.000 0.000 0.272 335 I C 1.940 178.050 176.117 -0.011 0.000 1.268 335 I CA 0.985 62.279 61.300 -0.010 0.000 1.467 335 I CB -1.049 36.944 38.000 -0.012 0.000 1.087 335 I HN -0.123 nan 8.210 nan 0.000 0.467 336 S N 2.699 118.390 115.700 -0.015 0.000 2.441 336 S HA -0.244 4.226 4.470 0.000 0.000 0.242 336 S C 1.520 176.114 174.600 -0.009 0.000 1.018 336 S CA 1.693 59.884 58.200 -0.014 0.000 0.988 336 S CB -1.140 62.050 63.200 -0.016 0.000 0.778 336 S HN 0.785 nan 8.310 nan 0.000 0.498 337 N N 1.115 119.812 118.700 -0.006 0.000 2.299 337 N HA 0.113 4.853 4.740 0.000 0.000 0.187 337 N C 0.234 175.744 175.510 0.000 0.000 1.099 337 N CA 0.067 53.115 53.050 -0.003 0.000 0.867 337 N CB -0.096 38.389 38.487 -0.003 0.000 0.974 337 N HN 0.434 nan 8.380 nan 0.000 0.477 338 L N 1.739 122.963 121.223 0.001 0.000 2.480 338 L HA 0.215 4.555 4.340 0.000 0.000 0.243 338 L C 1.230 178.105 176.870 0.009 0.000 1.315 338 L CA -0.119 54.725 54.840 0.006 0.000 1.231 338 L CB -0.048 42.016 42.059 0.008 0.000 1.444 338 L HN -0.067 nan 8.230 nan 0.000 0.409 339 K N 0.209 120.613 120.400 0.007 0.000 2.439 339 K HA -0.018 4.302 4.320 0.000 0.000 0.197 339 K C 1.041 177.649 176.600 0.012 0.000 1.041 339 K CA 0.493 56.784 56.287 0.008 0.000 0.970 339 K CB 0.170 32.673 32.500 0.005 0.000 0.773 339 K HN 0.491 nan 8.250 nan 0.000 0.479 340 N N 0.898 119.607 118.700 0.015 0.000 2.398 340 N HA 0.024 4.764 4.740 0.000 0.000 0.188 340 N C 0.127 175.655 175.510 0.029 0.000 1.122 340 N CA 0.259 53.320 53.050 0.019 0.000 0.866 340 N CB 0.242 38.738 38.487 0.016 0.000 0.970 340 N HN 0.141 nan 8.380 nan 0.000 0.462 341 L N 1.403 122.646 121.223 0.033 0.000 2.477 341 L HA 0.024 4.364 4.340 0.000 0.000 0.272 341 L C 1.593 178.499 176.870 0.059 0.000 1.157 341 L CA 0.208 55.078 54.840 0.050 0.000 0.889 341 L CB 0.646 42.731 42.059 0.044 0.000 1.158 341 L HN 0.135 nan 8.230 nan 0.000 0.473 342 T N -0.387 114.219 114.554 0.087 0.000 2.985 342 T HA 0.079 4.429 4.350 0.000 0.000 0.254 342 T C -0.155 174.651 174.700 0.177 0.000 1.021 342 T CA -0.033 62.128 62.100 0.101 0.000 0.957 342 T CB 0.111 69.028 68.868 0.082 0.000 1.047 342 T HN 0.368 nan 8.240 nan 0.000 0.511 343 Y N 0.710 121.038 120.300 0.045 0.000 2.361 343 Y HA 0.639 5.190 4.550 0.000 0.000 0.328 343 Y C -2.087 173.878 175.900 0.110 0.000 1.044 343 Y CA -1.825 56.325 58.100 0.083 0.000 1.085 343 Y CB 1.697 40.185 38.460 0.048 0.000 1.194 343 Y HN 0.181 nan 8.280 nan 0.000 0.438 344 L N 6.552 127.622 121.223 -0.253 0.000 2.470 344 L HA 0.678 5.018 4.340 0.000 0.000 0.268 344 L C -1.065 175.757 176.870 -0.081 0.000 0.964 344 L CA -0.193 54.581 54.840 -0.111 0.000 0.839 344 L CB 2.177 44.234 42.059 -0.003 0.000 1.276 344 L HN 0.705 nan 8.230 nan 0.000 0.403 345 T N 2.504 117.031 114.554 -0.045 0.000 2.823 345 T HA 0.679 5.029 4.350 0.000 0.000 0.279 345 T C 0.199 174.913 174.700 0.024 0.000 0.998 345 T CA -0.531 61.611 62.100 0.069 0.000 0.994 345 T CB 1.221 70.090 68.868 0.001 0.000 0.960 345 T HN 0.602 nan 8.240 nan 0.000 0.448 346 L N 1.302 122.597 121.223 0.122 0.000 3.520 346 L HA 0.277 4.617 4.340 0.000 0.000 0.323 346 L C -0.263 176.711 176.870 0.174 0.000 1.246 346 L CA -1.016 53.883 54.840 0.098 0.000 1.085 346 L CB 0.110 42.257 42.059 0.147 0.000 1.477 346 L HN 0.803 nan 8.230 nan 0.000 0.624 347 Y N -1.517 118.951 120.300 0.281 0.000 2.578 347 Y HA 0.318 4.868 4.550 0.000 0.000 0.339 347 Y C 0.257 176.385 175.900 0.379 0.000 1.231 347 Y CA -1.055 57.245 58.100 0.333 0.000 1.461 347 Y CB -0.296 38.416 38.460 0.419 0.000 1.323 347 Y HN 0.075 nan 8.280 nan 0.000 0.590 348 F N 1.213 121.349 119.950 0.311 0.000 2.905 348 F HA -0.286 4.241 4.527 0.000 0.000 0.311 348 F C -0.182 175.668 175.800 0.083 0.000 1.005 348 F CA 0.689 58.799 58.000 0.183 0.000 1.029 348 F CB -1.450 37.675 39.000 0.208 0.000 1.151 348 F HN 0.766 nan 8.300 nan 0.000 0.805 349 N N -0.163 118.623 118.700 0.143 0.000 3.294 349 N HA 0.381 5.121 4.740 0.000 0.000 0.355 349 N C -0.091 175.457 175.510 0.064 0.000 1.497 349 N CA -0.713 52.395 53.050 0.096 0.000 0.707 349 N CB 0.903 39.434 38.487 0.073 0.000 1.732 349 N HN 0.132 nan 8.380 nan 0.000 0.640 350 N N 0.296 119.027 118.700 0.052 0.000 2.541 350 N HA 0.370 5.110 4.740 0.000 0.000 0.297 350 N C -1.307 174.223 175.510 0.034 0.000 1.503 350 N CA -0.120 52.954 53.050 0.041 0.000 0.919 350 N CB -0.187 38.323 38.487 0.038 0.000 1.305 350 N HN 0.387 nan 8.380 nan 0.000 0.501 351 I N 0.892 121.485 120.570 0.038 0.000 2.396 351 I HA 0.071 4.241 4.170 0.000 0.000 0.289 351 I C 1.340 177.469 176.117 0.020 0.000 1.056 351 I CA -0.126 61.186 61.300 0.020 0.000 1.365 351 I CB 1.236 39.241 38.000 0.009 0.000 1.407 351 I HN 0.278 nan 8.210 nan 0.000 0.509 352 S N 2.513 118.216 115.700 0.004 0.000 2.475 352 S HA 0.044 4.514 4.470 0.000 0.000 0.224 352 S C 0.578 175.164 174.600 -0.024 0.000 1.042 352 S CA -0.133 58.069 58.200 0.002 0.000 0.935 352 S CB 0.122 63.326 63.200 0.006 0.000 0.801 352 S HN 0.638 nan 8.310 nan 0.000 0.509 353 D N 0.899 121.275 120.400 -0.040 0.000 2.473 353 D HA 0.376 5.016 4.640 0.000 0.000 0.226 353 D C 0.170 176.411 176.300 -0.097 0.000 1.089 353 D CA -0.580 53.384 54.000 -0.060 0.000 0.883 353 D CB 0.819 41.593 40.800 -0.044 0.000 1.029 353 D HN 0.133 nan 8.370 nan 0.000 0.517 354 I N 2.730 123.210 120.570 -0.150 0.000 3.428 354 I HA -0.116 4.054 4.170 0.000 0.000 0.286 354 I C 2.103 178.116 176.117 -0.174 0.000 1.287 354 I CA 0.664 61.819 61.300 -0.241 0.000 1.396 354 I CB -0.164 37.565 38.000 -0.452 0.000 1.062 354 I HN 0.428 nan 8.210 nan 0.000 0.471 355 S N 1.264 116.894 115.700 -0.116 0.000 2.407 355 S HA -0.108 4.362 4.470 0.000 0.000 0.235 355 S C -0.283 174.274 174.600 -0.072 0.000 1.036 355 S CA 1.218 59.367 58.200 -0.084 0.000 1.013 355 S CB -2.015 61.149 63.200 -0.061 0.000 0.820 355 S HN 0.308 nan 8.310 nan 0.000 0.476 356 P HA -0.014 nan 4.420 nan 0.000 0.223 356 P C 1.694 178.962 177.300 -0.053 0.000 1.144 356 P CA 1.127 64.195 63.100 -0.053 0.000 0.783 356 P CB -0.369 31.302 31.700 -0.048 0.000 0.771 357 V N -2.849 117.021 119.914 -0.073 0.000 3.217 357 V HA -0.119 4.001 4.120 0.000 0.000 0.264 357 V C 2.172 178.238 176.094 -0.046 0.000 1.135 357 V CA 1.636 63.898 62.300 -0.062 0.000 1.142 357 V CB -1.634 30.134 31.823 -0.090 0.000 0.754 357 V HN 0.172 nan 8.190 nan 0.000 0.484 358 S N 2.585 118.257 115.700 -0.047 0.000 2.400 358 S HA -0.215 4.255 4.470 0.000 0.000 0.232 358 S C 1.982 176.569 174.600 -0.022 0.000 1.025 358 S CA 1.850 60.030 58.200 -0.034 0.000 0.993 358 S CB -1.059 62.120 63.200 -0.036 0.000 0.808 358 S HN 1.058 nan 8.310 nan 0.000 0.478 359 S N 1.204 116.892 115.700 -0.020 0.000 2.562 359 S HA 0.279 4.749 4.470 0.000 0.000 0.221 359 S C 0.814 175.410 174.600 -0.008 0.000 0.975 359 S CA -0.268 57.925 58.200 -0.013 0.000 0.918 359 S CB -0.700 62.493 63.200 -0.012 0.000 0.772 359 S HN 0.559 nan 8.310 nan 0.000 0.531 360 L N 3.502 124.720 121.223 -0.008 0.000 2.480 360 L HA 0.248 4.588 4.340 0.000 0.000 0.243 360 L C 1.812 178.685 176.870 0.005 0.000 1.315 360 L CA -0.063 54.777 54.840 -0.000 0.000 1.231 360 L CB -0.639 41.419 42.059 -0.001 0.000 1.444 360 L HN 0.408 nan 8.230 nan 0.000 0.409 361 T N -3.284 111.273 114.554 0.005 0.000 3.007 361 T HA -0.112 4.238 4.350 0.000 0.000 0.270 361 T C 1.452 176.160 174.700 0.014 0.000 1.107 361 T CA 0.699 62.804 62.100 0.007 0.000 1.118 361 T CB -0.040 68.831 68.868 0.005 0.000 0.889 361 T HN 0.414 nan 8.240 nan 0.000 0.506 362 K N 0.559 120.969 120.400 0.018 0.000 2.487 362 K HA 0.281 4.601 4.320 0.000 0.000 0.192 362 K C 0.321 176.941 176.600 0.033 0.000 1.027 362 K CA -0.165 56.137 56.287 0.024 0.000 1.054 362 K CB -0.173 32.342 32.500 0.024 0.000 0.824 362 K HN 0.406 nan 8.250 nan 0.000 0.510 363 L N 1.975 123.217 121.223 0.032 0.000 2.559 363 L HA -0.122 4.218 4.340 0.000 0.000 0.274 363 L C 1.321 178.219 176.870 0.047 0.000 1.205 363 L CA 0.504 55.368 54.840 0.040 0.000 0.907 363 L CB 0.383 42.459 42.059 0.029 0.000 1.153 363 L HN 0.232 nan 8.230 nan 0.000 0.490 364 Q N 3.018 122.856 119.800 0.063 0.000 2.402 364 Q HA 0.232 4.572 4.340 0.000 0.000 0.231 364 Q C -0.182 175.864 176.000 0.075 0.000 0.888 364 Q CA 0.341 56.187 55.803 0.071 0.000 0.938 364 Q CB 0.800 29.579 28.738 0.068 0.000 1.086 364 Q HN 0.544 nan 8.270 nan 0.000 0.543 365 R N 0.653 121.192 120.500 0.064 0.000 2.538 365 R HA 0.503 4.843 4.340 0.000 0.000 0.292 365 R C -1.833 174.399 176.300 -0.114 0.000 1.008 365 R CA -0.660 55.430 56.100 -0.017 0.000 0.896 365 R CB 2.063 32.414 30.300 0.086 0.000 1.187 365 R HN -0.080 nan 8.270 nan 0.000 0.440 366 L N 3.522 124.598 121.223 -0.244 0.000 2.409 366 L HA 0.600 4.940 4.340 0.000 0.000 0.272 366 L C -1.851 174.920 176.870 -0.165 0.000 0.980 366 L CA -0.447 54.349 54.840 -0.075 0.000 0.826 366 L CB 1.461 43.558 42.059 0.062 0.000 1.268 366 L HN 0.502 nan 8.230 nan 0.000 0.407 367 F N 6.499 126.568 119.950 0.198 0.000 2.539 367 F HA 0.475 5.002 4.527 0.000 0.000 0.328 367 F C -0.126 175.931 175.800 0.429 0.000 1.148 367 F CA -0.461 57.699 58.000 0.267 0.000 0.940 367 F CB 1.365 40.531 39.000 0.277 0.000 1.194 367 F HN 0.453 nan 8.300 nan 0.000 0.438 368 F N 1.404 121.565 119.950 0.352 0.000 2.811 368 F HA 0.389 4.916 4.527 0.000 0.000 0.342 368 F C -0.652 175.309 175.800 0.269 0.000 1.203 368 F CA -1.179 56.990 58.000 0.282 0.000 1.173 368 F CB -1.028 38.060 39.000 0.147 0.000 1.094 368 F HN 0.328 nan 8.300 nan 0.000 0.510 369 Y N 3.270 123.601 120.300 0.052 0.000 2.811 369 Y HA 0.103 4.653 4.550 0.000 0.000 0.334 369 Y C 1.127 176.994 175.900 -0.055 0.000 1.247 369 Y CA 0.936 59.023 58.100 -0.022 0.000 1.526 369 Y CB 0.248 38.716 38.460 0.013 0.000 1.284 369 Y HN 0.545 nan 8.280 nan 0.000 0.586 370 N N 4.195 122.513 118.700 -0.636 0.000 2.688 370 N HA -0.252 4.488 4.740 0.000 0.000 0.261 370 N C -1.713 173.654 175.510 -0.238 0.000 1.116 370 N CA 0.762 53.417 53.050 -0.658 0.000 0.689 370 N CB -1.048 36.540 38.487 -1.498 0.000 0.882 370 N HN 0.844 nan 8.380 nan 0.000 0.554 371 N N 0.392 119.063 118.700 -0.049 0.000 3.387 371 N HA 0.329 5.069 4.740 0.000 0.000 0.322 371 N C -0.082 175.469 175.510 0.068 0.000 1.588 371 N CA -0.448 52.638 53.050 0.060 0.000 0.778 371 N CB 0.597 39.195 38.487 0.184 0.000 1.883 371 N HN 0.130 nan 8.380 nan 0.000 0.628 372 K N 0.725 121.172 120.400 0.078 0.000 2.726 372 K HA 0.332 4.652 4.320 0.000 0.000 0.209 372 K C -0.688 175.954 176.600 0.070 0.000 1.082 372 K CA -0.104 56.222 56.287 0.065 0.000 1.081 372 K CB 0.815 33.343 32.500 0.046 0.000 0.830 372 K HN 0.147 nan 8.250 nan 0.000 0.470 373 V N 2.109 122.091 119.914 0.114 0.000 2.455 373 V HA -0.025 4.095 4.120 0.000 0.000 0.273 373 V C 1.284 177.426 176.094 0.081 0.000 1.045 373 V CA 0.278 62.638 62.300 0.101 0.000 0.976 373 V CB 1.178 33.117 31.823 0.193 0.000 0.993 373 V HN 0.421 nan 8.190 nan 0.000 0.475 374 S N 2.223 117.931 115.700 0.013 0.000 2.566 374 S HA 0.086 4.556 4.470 0.000 0.000 0.234 374 S C 0.670 175.237 174.600 -0.056 0.000 1.075 374 S CA -0.050 58.121 58.200 -0.049 0.000 0.926 374 S CB 0.139 63.271 63.200 -0.113 0.000 0.811 374 S HN 0.669 nan 8.310 nan 0.000 0.518 375 D N 2.864 123.237 120.400 -0.045 0.000 2.411 375 D HA 0.279 4.920 4.640 0.000 0.000 0.225 375 D C 0.767 177.045 176.300 -0.036 0.000 1.156 375 D CA -0.232 53.738 54.000 -0.050 0.000 0.874 375 D CB 1.494 42.263 40.800 -0.052 0.000 1.034 375 D HN 0.251 nan 8.370 nan 0.000 0.502 376 V N 1.822 121.722 119.914 -0.024 0.000 3.444 376 V HA 0.071 4.191 4.120 0.000 0.000 0.308 376 V C 1.795 177.875 176.094 -0.024 0.000 1.371 376 V CA 0.528 62.824 62.300 -0.007 0.000 1.141 376 V CB -0.496 31.354 31.823 0.045 0.000 1.037 376 V HN 0.437 nan 8.190 nan 0.000 0.433 377 S N 2.274 117.953 115.700 -0.035 0.000 2.374 377 S HA -0.282 4.188 4.470 0.000 0.000 0.227 377 S C 2.134 176.716 174.600 -0.031 0.000 1.037 377 S CA 2.094 60.274 58.200 -0.034 0.000 1.024 377 S CB -1.156 62.023 63.200 -0.035 0.000 0.861 377 S HN 1.119 nan 8.310 nan 0.000 0.456 378 S N 2.262 117.939 115.700 -0.038 0.000 2.419 378 S HA 0.051 4.521 4.470 0.000 0.000 0.233 378 S C 1.833 176.412 174.600 -0.035 0.000 1.016 378 S CA 0.852 59.028 58.200 -0.040 0.000 0.974 378 S CB -0.734 62.434 63.200 -0.054 0.000 0.786 378 S HN 0.412 nan 8.310 nan 0.000 0.492 379 L N 1.540 122.745 121.223 -0.030 0.000 2.456 379 L HA 0.126 4.466 4.340 0.000 0.000 0.224 379 L C 2.879 179.746 176.870 -0.005 0.000 1.148 379 L CA 1.263 56.096 54.840 -0.011 0.000 0.825 379 L CB -2.124 39.947 42.059 0.022 0.000 0.937 379 L HN 0.525 nan 8.230 nan 0.000 0.450 380 A N 0.158 122.971 122.820 -0.012 0.000 2.019 380 A HA -0.181 4.139 4.320 0.000 0.000 0.219 380 A C 1.933 179.512 177.584 -0.008 0.000 1.164 380 A CA 1.253 53.283 52.037 -0.011 0.000 0.644 380 A CB -0.406 18.585 19.000 -0.015 0.000 0.805 380 A HN 0.449 nan 8.150 nan 0.000 0.449 381 N N 0.007 118.702 118.700 -0.010 0.000 2.512 381 N HA -0.001 4.739 4.740 0.000 0.000 0.183 381 N C 0.303 175.812 175.510 -0.002 0.000 1.073 381 N CA 0.558 53.604 53.050 -0.007 0.000 0.911 381 N CB -0.157 38.323 38.487 -0.012 0.000 0.964 381 N HN 0.467 nan 8.380 nan 0.000 0.447 382 L N 1.929 123.153 121.223 0.001 0.000 2.648 382 L HA 0.145 4.485 4.340 0.000 0.000 0.238 382 L C 1.538 178.417 176.870 0.014 0.000 1.316 382 L CA -0.196 54.649 54.840 0.009 0.000 1.241 382 L CB -0.336 41.730 42.059 0.013 0.000 1.499 382 L HN 0.071 nan 8.230 nan 0.000 0.411 383 T N -3.903 110.658 114.554 0.011 0.000 2.929 383 T HA -0.133 4.217 4.350 0.000 0.000 0.271 383 T C 1.440 176.152 174.700 0.020 0.000 1.085 383 T CA 0.901 63.009 62.100 0.013 0.000 1.125 383 T CB -0.090 68.784 68.868 0.009 0.000 0.874 383 T HN 0.378 nan 8.240 nan 0.000 0.494 384 N N 0.751 119.465 118.700 0.025 0.000 2.463 384 N HA 0.154 4.894 4.740 0.000 0.000 0.181 384 N C 0.483 176.021 175.510 0.047 0.000 1.078 384 N CA -0.038 53.033 53.050 0.034 0.000 0.902 384 N CB -0.280 38.228 38.487 0.035 0.000 0.970 384 N HN 0.424 nan 8.380 nan 0.000 0.451 385 I N 1.994 122.590 120.570 0.044 0.000 2.826 385 I HA -0.147 4.023 4.170 0.000 0.000 0.295 385 I C 1.038 177.202 176.117 0.079 0.000 1.213 385 I CA 0.487 61.822 61.300 0.057 0.000 1.436 385 I CB 0.528 38.554 38.000 0.042 0.000 1.348 385 I HN -0.001 nan 8.210 nan 0.000 0.570 386 N N 5.213 123.993 118.700 0.134 0.000 2.646 386 N HA 0.079 4.819 4.740 0.000 0.000 0.214 386 N C -0.941 174.749 175.510 0.299 0.000 1.042 386 N CA 0.444 53.626 53.050 0.219 0.000 0.925 386 N CB -0.054 38.617 38.487 0.306 0.000 1.383 386 N HN 0.455 nan 8.380 nan 0.000 0.439 387 W N 1.676 122.930 121.300 -0.076 0.000 2.376 387 W HA 0.575 5.235 4.660 0.000 0.000 0.312 387 W C -0.687 175.659 176.519 -0.288 0.000 1.060 387 W CA -0.698 56.543 57.345 -0.172 0.000 1.221 387 W CB 0.523 29.863 29.460 -0.200 0.000 1.281 387 W HN -0.138 nan 8.180 nan 0.000 0.456 388 L N 3.762 124.941 121.223 -0.074 0.000 2.372 388 L HA 0.551 4.891 4.340 0.000 0.000 0.273 388 L C -0.436 176.339 176.870 -0.157 0.000 0.989 388 L CA -0.267 54.510 54.840 -0.106 0.000 0.841 388 L CB 1.652 43.693 42.059 -0.030 0.000 1.225 388 L HN 0.230 nan 8.230 nan 0.000 0.414 389 S N 3.881 119.450 115.700 -0.219 0.000 2.601 389 S HA 0.793 5.263 4.470 0.000 0.000 0.312 389 S C 0.230 174.644 174.600 -0.309 0.000 1.107 389 S CA 0.179 58.294 58.200 -0.141 0.000 1.129 389 S CB 0.859 64.073 63.200 0.023 0.000 0.982 389 S HN 0.837 nan 8.310 nan 0.000 0.469 390 A N 3.773 126.373 122.820 -0.367 0.000 2.594 390 A HA 0.621 4.941 4.320 0.000 0.000 0.292 390 A C 0.778 178.197 177.584 -0.275 0.000 1.026 390 A CA -0.178 51.426 52.037 -0.721 0.000 0.983 390 A CB -0.206 18.393 19.000 -0.667 0.000 1.233 390 A HN 0.850 nan 8.150 nan 0.000 0.519 391 G N -1.685 107.110 108.800 -0.008 0.000 2.606 391 G HA2 0.382 4.342 3.960 0.000 0.000 0.252 391 G HA3 0.382 4.342 3.960 0.000 0.000 0.252 391 G C 0.276 174.998 174.900 -0.296 0.000 1.206 391 G CA 0.331 45.483 45.100 0.087 0.000 0.861 391 G HN 0.977 nan 8.290 nan 0.000 0.561 392 H N -0.828 117.998 119.070 -0.407 0.000 2.770 392 H HA -0.163 4.394 4.556 0.000 0.000 0.309 392 H C 0.592 175.696 175.328 -0.372 0.000 1.206 392 H CA 0.931 56.643 56.048 -0.560 0.000 1.147 392 H CB -1.288 27.747 29.762 -1.213 0.000 1.422 392 H HN 0.516 nan 8.280 nan 0.000 0.420 393 N N -0.209 118.423 118.700 -0.113 0.000 3.178 393 N HA 0.262 5.002 4.740 0.000 0.000 0.352 393 N C 0.068 175.624 175.510 0.077 0.000 1.423 393 N CA -0.433 52.626 53.050 0.016 0.000 0.698 393 N CB 0.796 39.343 38.487 0.100 0.000 1.400 393 N HN 0.417 nan 8.380 nan 0.000 0.586 394 Q N 0.720 120.604 119.800 0.140 0.000 2.158 394 Q HA 0.423 4.763 4.340 0.000 0.000 0.306 394 Q C -0.671 175.380 176.000 0.085 0.000 0.878 394 Q CA -0.103 55.828 55.803 0.213 0.000 1.136 394 Q CB 0.560 29.382 28.738 0.139 0.000 1.253 394 Q HN 0.414 nan 8.270 nan 0.000 0.441 395 I N 1.595 122.272 120.570 0.179 0.000 2.396 395 I HA -0.012 4.158 4.170 0.000 0.000 0.289 395 I C 1.217 177.440 176.117 0.176 0.000 1.056 395 I CA 0.223 61.594 61.300 0.119 0.000 1.365 395 I CB 1.157 39.264 38.000 0.179 0.000 1.407 395 I HN 0.201 nan 8.210 nan 0.000 0.509 396 S N 2.407 117.991 115.700 -0.192 0.000 2.526 396 S HA 0.152 4.622 4.470 0.000 0.000 0.220 396 S C 0.129 174.769 174.600 0.068 0.000 1.017 396 S CA -0.305 57.770 58.200 -0.208 0.000 0.930 396 S CB 0.256 62.939 63.200 -0.860 0.000 0.856 396 S HN 0.680 nan 8.310 nan 0.000 0.497 397 D N 0.549 120.945 120.400 -0.006 0.000 2.763 397 D HA 0.319 4.959 4.640 0.000 0.000 0.235 397 D C 0.262 176.483 176.300 -0.132 0.000 1.334 397 D CA -0.444 53.526 54.000 -0.051 0.000 0.950 397 D CB 1.204 41.962 40.800 -0.070 0.000 1.433 397 D HN 0.132 nan 8.370 nan 0.000 0.580 398 L N 2.478 123.580 121.223 -0.201 0.000 2.558 398 L HA 0.032 4.373 4.340 0.000 0.000 0.225 398 L C 2.336 179.127 176.870 -0.132 0.000 1.128 398 L CA 0.719 55.410 54.840 -0.248 0.000 0.868 398 L CB -0.351 41.485 42.059 -0.373 0.000 1.006 398 L HN 0.500 nan 8.230 nan 0.000 0.454 399 T N -1.728 112.775 114.554 -0.086 0.000 2.737 399 T HA -0.128 4.222 4.350 0.000 0.000 0.269 399 T C -0.445 174.225 174.700 -0.050 0.000 1.040 399 T CA 0.949 63.016 62.100 -0.055 0.000 1.142 399 T CB -1.630 67.216 68.868 -0.038 0.000 0.861 399 T HN 0.178 nan 8.240 nan 0.000 0.456 400 P HA 0.074 nan 4.420 nan 0.000 0.222 400 P C 1.041 178.320 177.300 -0.035 0.000 1.147 400 P CA 0.498 63.575 63.100 -0.039 0.000 0.790 400 P CB -0.175 31.502 31.700 -0.038 0.000 0.780 401 L N -1.491 119.703 121.223 -0.047 0.000 2.591 401 L HA 0.219 4.559 4.340 0.000 0.000 0.228 401 L C 2.158 179.005 176.870 -0.039 0.000 1.133 401 L CA 0.179 54.994 54.840 -0.042 0.000 0.880 401 L CB -2.003 40.020 42.059 -0.061 0.000 1.033 401 L HN -0.092 nan 8.230 nan 0.000 0.450 402 A N 0.364 123.161 122.820 -0.038 0.000 1.948 402 A HA -0.197 4.123 4.320 0.000 0.000 0.220 402 A C 1.830 179.403 177.584 -0.019 0.000 1.177 402 A CA 1.736 53.755 52.037 -0.029 0.000 0.636 402 A CB -0.392 18.593 19.000 -0.026 0.000 0.815 402 A HN 0.495 nan 8.150 nan 0.000 0.449 403 N N -0.306 118.385 118.700 -0.016 0.000 2.322 403 N HA 0.136 4.876 4.740 0.000 0.000 0.194 403 N C -0.106 175.401 175.510 -0.006 0.000 1.126 403 N CA 0.176 53.220 53.050 -0.009 0.000 0.845 403 N CB 0.137 38.619 38.487 -0.008 0.000 0.976 403 N HN 0.437 nan 8.380 nan 0.000 0.475 404 L N 1.772 122.990 121.223 -0.008 0.000 2.480 404 L HA 0.134 4.474 4.340 0.000 0.000 0.243 404 L C 1.351 178.220 176.870 -0.000 0.000 1.315 404 L CA -0.141 54.698 54.840 -0.001 0.000 1.231 404 L CB -0.446 41.612 42.059 -0.002 0.000 1.444 404 L HN 0.068 nan 8.230 nan 0.000 0.409 405 T N -3.823 110.732 114.554 0.002 0.000 3.118 405 T HA -0.028 4.322 4.350 0.000 0.000 0.260 405 T C 1.655 176.361 174.700 0.010 0.000 1.139 405 T CA 0.223 62.325 62.100 0.003 0.000 1.085 405 T CB -0.069 68.801 68.868 0.003 0.000 0.934 405 T HN 0.343 nan 8.240 nan 0.000 0.518 406 R N 0.552 121.063 120.500 0.017 0.000 2.310 406 R HA 0.351 4.691 4.340 0.000 0.000 0.202 406 R C 0.613 176.936 176.300 0.039 0.000 0.933 406 R CA -0.107 56.011 56.100 0.030 0.000 1.054 406 R CB -0.421 29.901 30.300 0.037 0.000 0.985 406 R HN 0.465 nan 8.270 nan 0.000 0.489 407 I N 2.132 122.716 120.570 0.023 0.000 2.618 407 I HA -0.108 4.062 4.170 0.000 0.000 0.284 407 I C 1.621 177.734 176.117 -0.006 0.000 1.146 407 I CA 0.646 61.954 61.300 0.013 0.000 1.425 407 I CB 1.161 39.154 38.000 -0.013 0.000 1.383 407 I HN 0.132 nan 8.210 nan 0.000 0.562 408 T N 1.855 116.399 114.554 -0.017 0.000 2.969 408 T HA 0.211 4.561 4.350 0.000 0.000 0.250 408 T C 0.510 175.079 174.700 -0.218 0.000 1.021 408 T CA -0.158 61.901 62.100 -0.069 0.000 1.003 408 T CB 0.539 69.410 68.868 0.005 0.000 1.040 408 T HN 0.447 nan 8.240 nan 0.000 0.492 409 Q N 0.768 120.360 119.800 -0.347 0.000 2.285 409 Q HA 0.716 5.056 4.340 0.000 0.000 0.269 409 Q C -1.862 173.948 176.000 -0.316 0.000 1.030 409 Q CA -0.601 54.882 55.803 -0.534 0.000 0.788 409 Q CB 2.791 30.755 28.738 -1.290 0.000 1.266 409 Q HN 0.343 nan 8.270 nan 0.000 0.438 410 L N 0.448 121.536 121.223 -0.226 0.000 2.409 410 L HA 0.894 5.234 4.340 0.000 0.000 0.262 410 L C -0.940 175.872 176.870 -0.098 0.000 0.992 410 L CA -0.172 54.587 54.840 -0.135 0.000 0.817 410 L CB 2.534 44.537 42.059 -0.093 0.000 1.350 410 L HN 0.608 nan 8.230 nan 0.000 0.411 411 G N 4.029 112.790 108.800 -0.065 0.000 2.753 411 G HA2 0.564 4.524 3.960 0.000 0.000 0.282 411 G HA3 0.564 4.524 3.960 0.000 0.000 0.282 411 G C -0.799 174.111 174.900 0.017 0.000 1.512 411 G CA -0.257 44.837 45.100 -0.010 0.000 1.076 411 G HN 0.587 nan 8.290 nan 0.000 0.545 412 L N 2.276 123.547 121.223 0.079 0.000 3.333 412 L HA 0.231 4.571 4.340 0.000 0.000 0.299 412 L C 0.616 177.633 176.870 0.245 0.000 1.256 412 L CA -0.660 54.275 54.840 0.158 0.000 1.037 412 L CB 0.169 42.330 42.059 0.169 0.000 1.423 412 L HN 0.599 nan 8.230 nan 0.000 0.605 413 N N -0.316 118.484 118.700 0.168 0.000 2.503 413 N HA 0.007 4.747 4.740 0.000 0.000 0.267 413 N C -0.512 175.045 175.510 0.078 0.000 1.214 413 N CA -0.083 53.033 53.050 0.111 0.000 0.959 413 N CB 0.875 39.418 38.487 0.093 0.000 1.142 413 N HN 0.019 nan 8.380 nan 0.000 0.455 414 D N -0.627 119.741 120.400 -0.054 0.000 2.800 414 D HA -0.128 4.512 4.640 0.000 0.000 0.232 414 D C -0.352 175.815 176.300 -0.221 0.000 1.137 414 D CA 0.824 54.745 54.000 -0.131 0.000 0.718 414 D CB -0.732 40.079 40.800 0.018 0.000 1.084 414 D HN 0.596 nan 8.370 nan 0.000 0.432 415 Q N -0.261 119.454 119.800 -0.141 0.000 2.492 415 Q HA 0.585 4.925 4.340 0.000 0.000 0.238 415 Q C 0.448 176.362 176.000 -0.144 0.000 1.045 415 Q CA 0.281 56.068 55.803 -0.026 0.000 0.934 415 Q CB 1.081 30.023 28.738 0.341 0.000 1.276 415 Q HN 0.445 nan 8.270 nan 0.000 0.521 416 A N 0.953 123.752 122.820 -0.035 0.000 2.540 416 A HA 0.690 5.010 4.320 0.000 0.000 0.297 416 A C -1.917 175.739 177.584 0.120 0.000 1.056 416 A CA -0.770 51.186 52.037 -0.135 0.000 0.700 416 A CB 0.962 19.814 19.000 -0.245 0.000 1.280 416 A HN 0.738 nan 8.150 nan 0.000 0.398 417 W N 0.005 121.257 121.300 -0.080 0.000 3.066 417 W HA 0.754 5.414 4.660 0.000 0.000 0.330 417 W C -1.284 175.201 176.519 -0.056 0.000 1.253 417 W CA -0.679 56.636 57.345 -0.050 0.000 1.187 417 W CB 0.811 30.263 29.460 -0.013 0.000 1.434 417 W HN 0.556 nan 8.180 nan 0.000 0.572 418 T N 3.396 118.060 114.554 0.183 0.000 2.791 418 T HA 0.272 4.622 4.350 0.000 0.000 0.288 418 T C -0.318 174.519 174.700 0.229 0.000 0.999 418 T CA -0.565 61.588 62.100 0.089 0.000 0.952 418 T CB 0.337 69.234 68.868 0.049 0.000 0.938 418 T HN 0.362 nan 8.240 nan 0.000 0.444 419 N N 1.969 120.795 118.700 0.211 0.000 2.415 419 N HA 0.360 5.100 4.740 0.000 0.000 0.248 419 N C 0.309 175.902 175.510 0.140 0.000 1.271 419 N CA -0.278 52.914 53.050 0.236 0.000 0.913 419 N CB 0.418 39.037 38.487 0.219 0.000 1.129 419 N HN 0.803 nan 8.380 nan 0.000 0.444 420 A N 2.078 124.972 122.820 0.124 0.000 2.540 420 A HA 0.230 4.550 4.320 0.000 0.000 0.239 420 A C -1.954 175.677 177.584 0.078 0.000 1.061 420 A CA -0.686 51.402 52.037 0.085 0.000 0.758 420 A CB -0.609 18.435 19.000 0.074 0.000 0.991 420 A HN 0.445 nan 8.150 nan 0.000 0.502 421 P HA 0.247 nan 4.420 nan 0.000 0.267 421 P C -0.111 177.228 177.300 0.065 0.000 1.200 421 P CA 0.100 63.235 63.100 0.058 0.000 0.772 421 P CB 0.617 32.348 31.700 0.053 0.000 0.855 422 V N 0.045 120.000 119.914 0.068 0.000 3.181 422 V HA 0.600 4.720 4.120 0.000 0.000 0.314 422 V C -0.337 175.808 176.094 0.086 0.000 1.173 422 V CA -1.112 61.232 62.300 0.073 0.000 1.052 422 V CB 1.997 33.868 31.823 0.080 0.000 1.123 422 V HN 0.205 nan 8.190 nan 0.000 0.454 423 N N 0.696 119.445 118.700 0.081 0.000 2.499 423 N HA 0.408 5.148 4.740 0.000 0.000 0.281 423 N C -0.973 174.603 175.510 0.111 0.000 1.098 423 N CA -0.293 52.818 53.050 0.102 0.000 0.979 423 N CB 0.768 39.296 38.487 0.068 0.000 1.121 423 N HN 0.867 nan 8.380 nan 0.000 0.466 424 Y N 2.526 122.883 120.300 0.095 0.000 2.526 424 Y HA 0.158 4.708 4.550 0.000 0.000 0.330 424 Y C -0.331 175.625 175.900 0.093 0.000 1.156 424 Y CA 0.427 58.592 58.100 0.108 0.000 1.419 424 Y CB 0.248 38.870 38.460 0.270 0.000 1.250 424 Y HN 0.377 nan 8.280 nan 0.000 0.540 425 K N 4.018 123.837 120.400 -0.969 0.000 2.536 425 K HA 0.625 4.945 4.320 0.000 0.000 0.269 425 K C 0.212 176.271 176.600 -0.900 0.000 0.965 425 K CA -0.408 55.375 56.287 -0.841 0.000 0.860 425 K CB 1.949 34.271 32.500 -0.297 0.000 1.423 425 K HN 0.569 nan 8.250 nan 0.000 0.438 426 A N 1.128 123.650 122.820 -0.495 0.000 1.877 426 A HA -0.129 4.191 4.320 0.000 0.000 0.216 426 A C 0.742 178.312 177.584 -0.024 0.000 1.186 426 A CA 1.595 53.556 52.037 -0.126 0.000 0.620 426 A CB -0.380 18.620 19.000 0.000 0.000 0.822 426 A HN 0.678 nan 8.150 nan 0.000 0.443 427 N N -0.215 118.460 118.700 -0.042 0.000 2.575 427 N HA 0.233 4.973 4.740 0.000 0.000 0.275 427 N C -0.497 175.033 175.510 0.033 0.000 1.202 427 N CA -0.157 52.903 53.050 0.016 0.000 0.945 427 N CB 0.436 38.924 38.487 0.001 0.000 1.247 427 N HN 0.187 nan 8.380 nan 0.000 0.510 428 V N 1.239 121.185 119.914 0.053 0.000 2.585 428 V HA 0.292 4.412 4.120 0.000 0.000 0.296 428 V C 0.207 176.457 176.094 0.260 0.000 1.035 428 V CA 0.009 62.373 62.300 0.106 0.000 1.084 428 V CB 0.459 32.322 31.823 0.066 0.000 0.953 428 V HN 0.525 nan 8.190 nan 0.000 0.483 429 S N 7.591 123.409 115.700 0.196 0.000 2.548 429 S HA 0.806 5.276 4.470 0.000 0.000 0.286 429 S C -0.748 173.978 174.600 0.210 0.000 1.098 429 S CA -0.765 57.559 58.200 0.207 0.000 0.930 429 S CB 1.858 65.102 63.200 0.073 0.000 1.070 429 S HN 1.134 nan 8.310 nan 0.000 0.480 430 I N -1.570 119.149 120.570 0.248 0.000 2.785 430 I HA 0.742 4.912 4.170 0.000 0.000 0.302 430 I C -3.240 172.962 176.117 0.143 0.000 1.069 430 I CA -3.160 58.269 61.300 0.215 0.000 1.045 430 I CB 2.125 40.312 38.000 0.312 0.000 1.236 430 I HN 0.323 nan 8.210 nan 0.000 0.429 431 P HA 0.167 nan 4.420 nan 0.000 0.276 431 P C -1.047 176.332 177.300 0.132 0.000 1.230 431 P CA -0.158 63.005 63.100 0.105 0.000 0.776 431 P CB 0.484 32.240 31.700 0.094 0.000 0.888 432 N N 1.753 120.515 118.700 0.103 0.000 2.513 432 N HA 0.083 4.823 4.740 0.000 0.000 0.268 432 N C 0.430 176.018 175.510 0.130 0.000 1.180 432 N CA 0.341 53.429 53.050 0.064 0.000 0.948 432 N CB 0.156 38.652 38.487 0.014 0.000 1.083 432 N HN 0.358 nan 8.380 nan 0.000 0.455 433 T N -1.069 113.604 114.554 0.199 0.000 3.091 433 T HA 0.195 4.545 4.350 0.000 0.000 0.277 433 T C 0.025 174.796 174.700 0.118 0.000 0.996 433 T CA -0.399 61.797 62.100 0.161 0.000 0.897 433 T CB -0.458 68.528 68.868 0.197 0.000 1.109 433 T HN 0.112 nan 8.240 nan 0.000 0.534 434 V N 2.572 122.534 119.914 0.080 0.000 2.405 434 V HA 0.376 4.496 4.120 0.000 0.000 0.264 434 V C 0.015 176.095 176.094 -0.023 0.000 1.048 434 V CA -0.372 61.884 62.300 -0.073 0.000 0.966 434 V CB 0.330 31.857 31.823 -0.494 0.000 1.015 434 V HN 0.354 nan 8.190 nan 0.000 0.477 435 K N 3.748 124.184 120.400 0.061 0.000 2.292 435 K HA 0.412 4.732 4.320 0.000 0.000 0.257 435 K C -0.189 176.477 176.600 0.110 0.000 0.940 435 K CA -0.828 55.498 56.287 0.064 0.000 0.811 435 K CB 1.707 34.222 32.500 0.026 0.000 1.120 435 K HN 0.536 nan 8.250 nan 0.000 0.428 436 N N 0.783 119.538 118.700 0.092 0.000 2.327 436 N HA 0.011 4.751 4.740 0.000 0.000 0.257 436 N C 1.021 176.526 175.510 -0.008 0.000 1.281 436 N CA -0.237 52.857 53.050 0.074 0.000 0.942 436 N CB 1.100 39.639 38.487 0.087 0.000 1.199 436 N HN 0.311 nan 8.380 nan 0.000 0.532 437 V N 0.624 120.516 119.914 -0.036 0.000 2.469 437 V HA -0.217 3.903 4.120 0.000 0.000 0.251 437 V C 2.017 178.098 176.094 -0.022 0.000 1.064 437 V CA 2.770 65.040 62.300 -0.049 0.000 1.066 437 V CB -0.992 30.799 31.823 -0.054 0.000 0.667 437 V HN 0.942 nan 8.190 nan 0.000 0.461 438 T N -2.982 111.569 114.554 -0.004 0.000 3.035 438 T HA 0.176 4.526 4.350 0.000 0.000 0.268 438 T C 1.631 176.332 174.700 0.003 0.000 1.109 438 T CA 1.153 63.254 62.100 0.002 0.000 1.119 438 T CB 0.194 69.069 68.868 0.012 0.000 0.900 438 T HN 1.244 nan 8.240 nan 0.000 0.503 439 G N 1.058 109.860 108.800 0.003 0.000 2.195 439 G HA2 -0.036 3.924 3.960 0.000 0.000 0.246 439 G HA3 -0.036 3.924 3.960 0.000 0.000 0.246 439 G C 0.292 175.202 174.900 0.016 0.000 0.984 439 G CA -0.103 45.000 45.100 0.005 0.000 0.633 439 G HN 1.181 nan 8.290 nan 0.000 0.525 440 A N 0.591 123.425 122.820 0.024 0.000 2.371 440 A HA 0.714 5.034 4.320 0.000 0.000 0.257 440 A C 0.799 178.408 177.584 0.042 0.000 1.089 440 A CA -0.231 51.826 52.037 0.033 0.000 0.794 440 A CB 0.355 19.376 19.000 0.035 0.000 1.029 440 A HN 0.854 nan 8.150 nan 0.000 0.488 441 L N 1.829 123.082 121.223 0.049 0.000 2.456 441 L HA 0.129 4.469 4.340 0.000 0.000 0.272 441 L C -0.170 176.724 176.870 0.040 0.000 1.189 441 L CA 0.258 55.128 54.840 0.051 0.000 0.846 441 L CB 0.332 42.444 42.059 0.088 0.000 1.111 441 L HN 0.543 nan 8.230 nan 0.000 0.475 442 I N 2.909 123.473 120.570 -0.010 0.000 2.315 442 I HA 0.245 4.415 4.170 0.000 0.000 0.291 442 I C 0.635 176.664 176.117 -0.148 0.000 1.006 442 I CA -0.218 61.062 61.300 -0.033 0.000 1.265 442 I CB 1.468 39.449 38.000 -0.033 0.000 1.387 442 I HN 0.660 nan 8.210 nan 0.000 0.475 443 A N 8.709 131.439 122.820 -0.151 0.000 2.511 443 A HA 0.376 4.697 4.320 0.000 0.000 0.242 443 A C -2.279 175.088 177.584 -0.362 0.000 1.069 443 A CA -0.953 50.825 52.037 -0.433 0.000 0.763 443 A CB -0.570 18.343 19.000 -0.144 0.000 1.001 443 A HN 0.426 nan 8.150 nan 0.000 0.498 444 P HA 0.176 nan 4.420 nan 0.000 0.266 444 P C 0.633 177.875 177.300 -0.097 0.000 1.195 444 P CA 0.670 63.642 63.100 -0.212 0.000 0.768 444 P CB 0.890 32.394 31.700 -0.326 0.000 0.838 445 A N 2.668 125.487 122.820 -0.003 0.000 1.878 445 A HA 0.110 4.430 4.320 0.000 0.000 0.213 445 A C 0.932 178.508 177.584 -0.013 0.000 1.192 445 A CA 1.806 53.836 52.037 -0.012 0.000 0.619 445 A CB -0.777 18.211 19.000 -0.019 0.000 0.837 445 A HN 0.608 nan 8.150 nan 0.000 0.446 446 T N -2.681 111.877 114.554 0.007 0.000 2.906 446 T HA 0.713 5.063 4.350 0.000 0.000 0.295 446 T C -0.919 173.820 174.700 0.066 0.000 1.061 446 T CA -0.615 61.495 62.100 0.018 0.000 1.000 446 T CB 1.512 70.385 68.868 0.008 0.000 1.103 446 T HN 0.196 nan 8.240 nan 0.000 0.486 447 I N 2.407 123.016 120.570 0.064 0.000 2.534 447 I HA 0.405 4.575 4.170 0.000 0.000 0.288 447 I C 0.577 176.806 176.117 0.185 0.000 1.077 447 I CA -0.986 60.391 61.300 0.128 0.000 1.051 447 I CB 2.505 40.470 38.000 -0.057 0.000 1.234 447 I HN 0.970 nan 8.210 nan 0.000 0.425 448 S N 3.434 119.321 115.700 0.312 0.000 2.596 448 S HA 0.129 4.599 4.470 0.000 0.000 0.260 448 S C 0.409 175.213 174.600 0.340 0.000 1.336 448 S CA -0.158 58.196 58.200 0.256 0.000 0.993 448 S CB 0.609 63.918 63.200 0.182 0.000 0.923 448 S HN 0.788 nan 8.310 nan 0.000 0.567 449 D N 0.307 120.824 120.400 0.194 0.000 2.811 449 D HA -0.167 4.473 4.640 0.000 0.000 0.231 449 D C 0.938 177.374 176.300 0.227 0.000 1.157 449 D CA 1.548 55.658 54.000 0.184 0.000 0.716 449 D CB -1.791 39.099 40.800 0.149 0.000 1.077 449 D HN 1.544 nan 8.370 nan 0.000 0.428 450 G N -0.955 107.940 108.800 0.159 0.000 2.225 450 G HA2 -0.186 3.775 3.960 0.000 0.000 0.267 450 G HA3 -0.186 3.775 3.960 0.000 0.000 0.267 450 G C 0.777 175.715 174.900 0.063 0.000 1.024 450 G CA 0.752 45.911 45.100 0.098 0.000 0.784 450 G HN 0.847 nan 8.290 nan 0.000 0.507 451 G N -0.535 108.288 108.800 0.038 0.000 2.634 451 G HA2 0.696 4.656 3.960 0.000 0.000 0.255 451 G HA3 0.696 4.656 3.960 0.000 0.000 0.255 451 G C 0.409 175.140 174.900 -0.282 0.000 1.205 451 G CA 0.872 45.773 45.100 -0.332 0.000 0.884 451 G HN 1.706 nan 8.290 nan 0.000 0.549 452 S N -1.310 114.178 115.700 -0.354 0.000 2.661 452 S HA 0.666 5.136 4.470 0.000 0.000 0.285 452 S C -1.548 172.937 174.600 -0.192 0.000 1.138 452 S CA -0.870 57.209 58.200 -0.202 0.000 0.855 452 S CB 2.041 65.164 63.200 -0.128 0.000 1.136 452 S HN 0.817 nan 8.310 nan 0.000 0.484 453 Y N 0.250 120.401 120.300 -0.248 0.000 2.442 453 Y HA 0.699 5.249 4.550 0.000 0.000 0.344 453 Y C -0.755 175.051 175.900 -0.157 0.000 0.976 453 Y CA -0.266 57.693 58.100 -0.234 0.000 1.040 453 Y CB 2.390 40.716 38.460 -0.224 0.000 1.228 453 Y HN 0.942 nan 8.280 nan 0.000 0.451 454 T N 5.900 120.001 114.554 -0.755 0.000 2.991 454 T HA 0.182 4.532 4.350 0.000 0.000 0.303 454 T C -1.353 172.669 174.700 -1.131 0.000 1.015 454 T CA -0.732 60.910 62.100 -0.764 0.000 1.007 454 T CB 0.705 69.353 68.868 -0.367 0.000 1.034 454 T HN 0.809 nan 8.240 nan 0.000 0.446 455 E N 5.125 124.670 120.200 -1.092 0.000 2.529 455 E HA 0.041 4.391 4.350 0.000 0.000 0.259 455 E C -1.384 175.011 176.600 -0.343 0.000 0.966 455 E CA -0.958 55.037 56.400 -0.676 0.000 0.937 455 E CB 0.706 30.284 29.700 -0.204 0.000 0.923 455 E HN 0.352 nan 8.360 nan 0.000 0.468 456 P HA 0.182 nan 4.420 nan 0.000 0.268 456 P C -0.960 176.330 177.300 -0.016 0.000 1.329 456 P CA -0.023 63.038 63.100 -0.064 0.000 0.899 456 P CB 0.458 32.160 31.700 0.004 0.000 1.378 457 D N 0.917 121.213 120.400 -0.173 0.000 2.168 457 D HA 0.318 4.958 4.640 0.000 0.000 0.246 457 D C 0.220 176.460 176.300 -0.099 0.000 1.050 457 D CA -0.319 53.626 54.000 -0.091 0.000 0.857 457 D CB 2.041 42.782 40.800 -0.099 0.000 1.169 457 D HN 0.073 nan 8.370 nan 0.000 0.453 458 I N 1.468 121.987 120.570 -0.085 0.000 2.321 458 I HA 0.159 4.329 4.170 0.000 0.000 0.291 458 I C 0.246 176.102 176.117 -0.435 0.000 0.998 458 I CA -0.109 60.997 61.300 -0.324 0.000 1.227 458 I CB 1.339 39.008 38.000 -0.551 0.000 1.368 458 I HN 0.028 nan 8.210 nan 0.000 0.466 459 T N 5.071 119.349 114.554 -0.460 0.000 2.856 459 T HA 0.465 4.815 4.350 0.000 0.000 0.283 459 T C -0.743 173.766 174.700 -0.319 0.000 1.008 459 T CA -0.524 61.438 62.100 -0.230 0.000 0.997 459 T CB 1.351 70.149 68.868 -0.117 0.000 0.992 459 T HN 0.371 nan 8.240 nan 0.000 0.454 460 W N 1.280 122.591 121.300 0.019 0.000 2.762 460 W HA 0.488 5.148 4.660 0.000 0.000 0.355 460 W C 0.008 176.541 176.519 0.023 0.000 1.124 460 W CA -0.777 56.585 57.345 0.028 0.000 1.141 460 W CB 1.407 30.895 29.460 0.046 0.000 1.432 460 W HN 0.399 nan 8.180 nan 0.000 0.586 461 N N 2.158 121.029 118.700 0.284 0.000 2.675 461 N HA 0.312 5.052 4.740 0.000 0.000 0.254 461 N C -1.376 174.243 175.510 0.182 0.000 1.224 461 N CA -0.125 53.027 53.050 0.170 0.000 0.777 461 N CB 0.778 39.327 38.487 0.103 0.000 1.256 461 N HN 0.185 nan 8.380 nan 0.000 0.531 462 L N 2.687 124.032 121.223 0.202 0.000 2.307 462 L HA 0.509 4.849 4.340 0.000 0.000 0.282 462 L C -0.920 176.054 176.870 0.172 0.000 1.051 462 L CA -1.534 53.419 54.840 0.189 0.000 0.804 462 L CB 1.235 43.449 42.059 0.258 0.000 1.197 462 L HN 0.197 nan 8.230 nan 0.000 0.431 463 P HA -0.076 nan 4.420 nan 0.000 0.214 463 P C 0.377 177.745 177.300 0.113 0.000 1.162 463 P CA 0.882 64.036 63.100 0.091 0.000 0.874 463 P CB 0.246 31.976 31.700 0.050 0.000 0.784 464 S N -2.730 113.015 115.700 0.075 0.000 2.900 464 S HA 0.384 4.854 4.470 0.000 0.000 0.320 464 S C -0.760 173.732 174.600 -0.180 0.000 1.130 464 S CA -0.875 57.354 58.200 0.047 0.000 0.863 464 S CB 0.152 63.358 63.200 0.011 0.000 1.295 464 S HN 0.018 nan 8.310 nan 0.000 0.596 465 Y N 1.523 121.504 120.300 -0.532 0.000 2.597 465 Y HA 0.458 5.009 4.550 0.000 0.000 0.336 465 Y C 0.256 175.825 175.900 -0.552 0.000 1.216 465 Y CA 1.040 58.513 58.100 -1.045 0.000 1.463 465 Y CB 0.452 38.522 38.460 -0.649 0.000 1.303 465 Y HN 0.883 nan 8.280 nan 0.000 0.576 466 T N 5.677 119.381 114.554 -1.418 0.000 2.912 466 T HA 0.198 4.548 4.350 0.000 0.000 0.299 466 T C 0.561 174.510 174.700 -1.250 0.000 1.052 466 T CA -0.511 60.972 62.100 -1.028 0.000 0.996 466 T CB 0.540 69.106 68.868 -0.504 0.000 1.070 466 T HN 0.864 nan 8.240 nan 0.000 0.465 467 N N 3.110 121.322 118.700 -0.814 0.000 2.409 467 N HA -0.013 4.727 4.740 0.000 0.000 0.179 467 N C 0.260 175.614 175.510 -0.260 0.000 1.032 467 N CA 0.454 53.252 53.050 -0.420 0.000 0.898 467 N CB 0.214 38.623 38.487 -0.129 0.000 0.971 467 N HN 0.912 nan 8.380 nan 0.000 0.441 468 E N -0.360 119.670 120.200 -0.284 0.000 2.372 468 E HA 0.473 4.823 4.350 0.000 0.000 0.279 468 E C -1.090 175.336 176.600 -0.290 0.000 0.946 468 E CA -1.125 55.133 56.400 -0.237 0.000 0.769 468 E CB 2.322 31.928 29.700 -0.156 0.000 1.230 468 E HN -0.046 nan 8.360 nan 0.000 0.442 469 V N -0.580 119.118 119.914 -0.359 0.000 3.155 469 V HA 0.941 5.061 4.120 0.000 0.000 0.313 469 V C -0.350 175.626 176.094 -0.198 0.000 1.162 469 V CA -0.093 61.952 62.300 -0.424 0.000 1.048 469 V CB 1.291 32.439 31.823 -1.125 0.000 1.092 469 V HN 1.063 nan 8.190 nan 0.000 0.447 470 S N 0.209 115.930 115.700 0.036 0.000 2.643 470 S HA 0.895 5.365 4.470 0.000 0.000 0.270 470 S C -1.257 173.564 174.600 0.367 0.000 1.166 470 S CA -0.358 57.911 58.200 0.115 0.000 0.815 470 S CB 1.748 64.913 63.200 -0.058 0.000 1.139 470 S HN 2.360 nan 8.310 nan 0.000 0.472 471 Y N -1.608 118.743 120.300 0.084 0.000 2.638 471 Y HA 0.831 5.381 4.550 0.000 0.000 0.335 471 Y C -0.704 175.165 175.900 -0.052 0.000 1.155 471 Y CA -0.544 57.583 58.100 0.045 0.000 1.046 471 Y CB 0.973 39.474 38.460 0.069 0.000 1.303 471 Y HN 1.083 nan 8.280 nan 0.000 0.460 472 T N 0.129 114.739 114.554 0.094 0.000 2.930 472 T HA 0.841 5.191 4.350 0.000 0.000 0.290 472 T C -1.141 173.625 174.700 0.111 0.000 1.052 472 T CA -0.658 61.400 62.100 -0.069 0.000 1.017 472 T CB 1.934 70.704 68.868 -0.163 0.000 1.137 472 T HN 1.095 nan 8.240 nan 0.000 0.511 473 F N -1.393 118.480 119.950 -0.129 0.000 2.613 473 F HA 0.853 5.380 4.527 0.000 0.000 0.310 473 F C -0.615 175.089 175.800 -0.160 0.000 1.085 473 F CA -1.135 56.787 58.000 -0.130 0.000 0.945 473 F CB 1.901 40.816 39.000 -0.141 0.000 1.298 473 F HN 0.735 nan 8.300 nan 0.000 0.455 474 S N 2.117 117.809 115.700 -0.013 0.000 2.680 474 S HA 0.463 4.933 4.470 0.000 0.000 0.262 474 S C -1.894 172.742 174.600 0.060 0.000 1.138 474 S CA -0.242 57.922 58.200 -0.060 0.000 1.072 474 S CB 0.953 64.098 63.200 -0.092 0.000 1.097 474 S HN 0.904 nan 8.310 nan 0.000 0.468 475 Q N 4.865 124.741 119.800 0.127 0.000 2.337 475 Q HA 0.535 4.875 4.340 0.000 0.000 0.260 475 Q C -2.932 173.166 176.000 0.164 0.000 0.982 475 Q CA -1.707 54.189 55.803 0.155 0.000 0.734 475 Q CB 1.771 30.640 28.738 0.218 0.000 1.272 475 Q HN 0.347 nan 8.270 nan 0.000 0.461 476 P HA 0.062 nan 4.420 nan 0.000 0.265 476 P C -1.268 176.089 177.300 0.095 0.000 1.187 476 P CA -0.058 63.094 63.100 0.086 0.000 0.766 476 P CB 0.871 32.602 31.700 0.051 0.000 0.820 477 V N 2.851 122.813 119.914 0.080 0.000 3.077 477 V HA 0.489 4.609 4.120 0.000 0.000 0.299 477 V C -1.210 174.899 176.094 0.024 0.000 1.276 477 V CA -0.211 62.124 62.300 0.059 0.000 0.993 477 V CB 2.718 34.588 31.823 0.078 0.000 1.076 477 V HN 0.447 nan 8.190 nan 0.000 0.434 478 T N 7.057 121.616 114.554 0.008 0.000 2.824 478 T HA 0.678 5.029 4.350 0.000 0.000 0.282 478 T C -0.742 173.949 174.700 -0.015 0.000 0.993 478 T CA -0.152 61.943 62.100 -0.009 0.000 0.967 478 T CB 1.098 69.961 68.868 -0.008 0.000 0.960 478 T HN 0.535 nan 8.240 nan 0.000 0.441 479 I N 2.817 123.371 120.570 -0.026 0.000 2.418 479 I HA 0.521 4.691 4.170 0.000 0.000 0.287 479 I C 1.145 177.249 176.117 -0.023 0.000 1.008 479 I CA -0.402 60.882 61.300 -0.026 0.000 1.104 479 I CB 1.379 39.357 38.000 -0.036 0.000 1.264 479 I HN 0.897 nan 8.210 nan 0.000 0.438 480 G N 6.249 115.041 108.800 -0.015 0.000 2.601 480 G HA2 -0.342 3.618 3.960 0.000 0.000 0.306 480 G HA3 -0.342 3.618 3.960 0.000 0.000 0.306 480 G C 0.679 175.571 174.900 -0.013 0.000 1.172 480 G CA 0.602 45.697 45.100 -0.009 0.000 0.966 480 G HN 0.633 nan 8.290 nan 0.000 0.542 481 K N 1.104 121.493 120.400 -0.018 0.000 2.402 481 K HA 0.391 4.711 4.320 0.000 0.000 0.204 481 K C 1.084 177.656 176.600 -0.047 0.000 1.056 481 K CA 0.437 56.709 56.287 -0.025 0.000 1.069 481 K CB 1.201 33.691 32.500 -0.017 0.000 0.888 481 K HN 0.639 nan 8.250 nan 0.000 0.546 482 G N 0.928 109.693 108.800 -0.059 0.000 2.353 482 G HA2 0.281 4.241 3.960 0.000 0.000 0.284 482 G HA3 0.281 4.241 3.960 0.000 0.000 0.284 482 G C -0.550 174.309 174.900 -0.069 0.000 1.172 482 G CA 0.027 45.072 45.100 -0.092 0.000 0.854 482 G HN -0.095 nan 8.290 nan 0.000 0.485 483 T N 0.841 115.351 114.554 -0.074 0.000 2.841 483 T HA 0.728 5.078 4.350 0.000 0.000 0.283 483 T C -0.121 174.555 174.700 -0.039 0.000 1.000 483 T CA -0.378 61.696 62.100 -0.044 0.000 0.977 483 T CB 2.090 70.936 68.868 -0.036 0.000 0.979 483 T HN 0.663 nan 8.240 nan 0.000 0.446 484 T N 0.633 115.183 114.554 -0.006 0.000 2.665 484 T HA 0.561 4.911 4.350 0.000 0.000 0.303 484 T C -1.380 173.354 174.700 0.057 0.000 1.334 484 T CA -0.424 61.687 62.100 0.017 0.000 1.011 484 T CB 1.615 70.496 68.868 0.022 0.000 1.573 484 T HN 0.495 nan 8.240 nan 0.000 0.492 485 T N 2.543 117.143 114.554 0.077 0.000 2.772 485 T HA 0.485 4.835 4.350 0.000 0.000 0.288 485 T C -1.132 173.686 174.700 0.195 0.000 0.994 485 T CA -0.286 61.879 62.100 0.107 0.000 0.951 485 T CB 0.161 69.058 68.868 0.049 0.000 0.933 485 T HN 0.401 nan 8.240 nan 0.000 0.447 486 F N 5.376 125.381 119.950 0.091 0.000 2.434 486 F HA 0.510 5.037 4.527 0.000 0.000 0.358 486 F C 0.402 176.323 175.800 0.203 0.000 1.136 486 F CA -1.169 56.938 58.000 0.178 0.000 1.157 486 F CB -0.460 38.677 39.000 0.229 0.000 1.167 486 F HN 0.518 nan 8.300 nan 0.000 0.539 487 S N 3.873 119.454 115.700 -0.198 0.000 2.627 487 S HA 1.034 5.504 4.470 0.000 0.000 0.283 487 S C -0.445 173.413 174.600 -1.238 0.000 1.127 487 S CA -0.291 57.419 58.200 -0.817 0.000 0.863 487 S CB 1.782 64.738 63.200 -0.407 0.000 1.121 487 S HN 1.199 nan 8.310 nan 0.000 0.479 488 G N -0.120 107.602 108.800 -1.796 0.000 2.349 488 G HA2 0.531 4.491 3.960 0.000 0.000 0.294 488 G HA3 0.531 4.491 3.960 0.000 0.000 0.294 488 G C -1.701 172.658 174.900 -0.901 0.000 1.380 488 G CA -0.615 43.787 45.100 -1.164 0.000 0.811 488 G HN 0.862 nan 8.290 nan 0.000 0.519 489 T N 0.391 114.578 114.554 -0.612 0.000 2.840 489 T HA 0.571 4.921 4.350 0.000 0.000 0.287 489 T C -0.531 173.737 174.700 -0.720 0.000 0.991 489 T CA -0.352 61.425 62.100 -0.539 0.000 0.964 489 T CB 1.595 70.240 68.868 -0.373 0.000 0.954 489 T HN 0.627 nan 8.240 nan 0.000 0.438 490 V N 3.823 123.186 119.914 -0.918 0.000 2.370 490 V HA 0.457 4.577 4.120 0.000 0.000 0.283 490 V C 0.366 176.063 176.094 -0.661 0.000 1.023 490 V CA -0.688 60.929 62.300 -1.140 0.000 0.857 490 V CB 1.537 32.390 31.823 -1.616 0.000 0.985 490 V HN 0.927 nan 8.190 nan 0.000 0.443 491 T N 4.518 118.805 114.554 -0.445 0.000 2.795 491 T HA 0.403 4.753 4.350 0.000 0.000 0.282 491 T C -0.296 174.326 174.700 -0.130 0.000 0.980 491 T CA -0.279 61.684 62.100 -0.228 0.000 1.012 491 T CB 1.328 70.091 68.868 -0.175 0.000 0.936 491 T HN 0.659 nan 8.240 nan 0.000 0.457 492 Q N 4.324 124.071 119.800 -0.089 0.000 2.456 492 Q HA 0.377 4.717 4.340 0.000 0.000 0.252 492 Q C -2.759 173.187 176.000 -0.089 0.000 1.042 492 Q CA -2.350 53.428 55.803 -0.042 0.000 0.766 492 Q CB 0.896 29.623 28.738 -0.019 0.000 1.196 492 Q HN 0.241 nan 8.270 nan 0.000 0.504 493 P HA 0.153 nan 4.420 nan 0.000 0.271 493 P C -0.962 176.327 177.300 -0.017 0.000 1.218 493 P CA -0.005 63.071 63.100 -0.041 0.000 0.780 493 P CB 0.692 32.391 31.700 -0.003 0.000 0.901 494 L N 3.204 124.420 121.223 -0.011 0.000 2.349 494 L HA 0.356 4.696 4.340 0.000 0.000 0.278 494 L C 1.289 178.286 176.870 0.211 0.000 0.996 494 L CA -0.845 54.044 54.840 0.081 0.000 0.825 494 L CB 1.853 43.938 42.059 0.043 0.000 1.243 494 L HN 0.249 nan 8.230 nan 0.000 0.412 495 K N 2.096 122.620 120.400 0.206 0.000 2.097 495 K HA 0.219 4.539 4.320 0.000 0.000 0.205 495 K C 0.539 177.217 176.600 0.130 0.000 1.050 495 K CA 0.832 57.217 56.287 0.163 0.000 0.938 495 K CB 0.234 32.788 32.500 0.091 0.000 0.718 495 K HN 0.754 nan 8.250 nan 0.000 0.442 496 A N 0.000 122.926 122.820 0.176 0.000 2.254 496 A HA 0.000 4.320 4.320 0.000 0.000 0.244 496 A CA 0.000 nan 52.037 nan 0.000 0.836 496 A CB 0.000 19.000 19.000 0.000 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486