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 2omx_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 TSLQQLNFSS NQVTDLKPLA NLTTLERLDI SSNKVSDISV LAKLTNLESL DATA SEQUENCE IATNNQISDI TPLGILTNLD ELSLNGNQLK DIGTLASLTN LTDLDLANNQ DATA SEQUENCE ISNLAPLSGL TKLTELKLGA NQISNISPLA GLTALTNLEL NENQLEDISP DATA SEQUENCE ISNLKNLTYL TLYFNNISDI SPVSSLTKLQ RLFFYNNKVS DVSSLANLTN DATA SEQUENCE INWLSAGHNQ ISDLTPLANL TRITQLGLND QAWTNAPVNY KANVSIPNTV DATA SEQUENCE KNVTGALIAP ATISDGGSYT EPDITWNLPS YTNEVSYTFS QPVTIGKGTT DATA SEQUENCE TFSGTVTQPL KA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.710 177.584 0.210 0.000 1.274 36 A CA 0.000 52.071 52.037 0.056 0.000 0.836 36 A CB 0.000 18.902 19.000 -0.163 0.000 0.831 37 T N -0.469 114.252 114.554 0.278 0.000 2.933 37 T HA 0.672 5.051 4.350 0.048 0.000 0.305 37 T C -0.175 174.561 174.700 0.060 0.000 1.092 37 T CA -0.293 61.922 62.100 0.192 0.000 1.008 37 T CB 0.877 69.791 68.868 0.076 0.000 1.102 37 T HN 1.712 nan 8.240 nan 0.000 0.469 38 I N 0.876 121.315 120.570 -0.219 0.000 2.496 38 I HA 0.327 4.526 4.170 0.048 0.000 0.285 38 I C 1.621 177.652 176.117 -0.143 0.000 1.080 38 I CA -0.688 60.406 61.300 -0.344 0.000 1.404 38 I CB 0.526 38.240 38.000 -0.475 0.000 1.403 38 I HN 0.858 nan 8.210 nan 0.000 0.539 39 T N 2.378 116.870 114.554 -0.103 0.000 2.652 39 T HA -0.122 4.257 4.350 0.048 0.000 0.267 39 T C 0.808 175.475 174.700 -0.054 0.000 1.039 39 T CA 1.206 63.273 62.100 -0.055 0.000 1.153 39 T CB -0.364 68.480 68.868 -0.040 0.000 0.863 39 T HN 0.824 nan 8.240 nan 0.000 0.428 40 Q N 0.001 119.760 119.800 -0.069 0.000 2.882 40 Q HA 0.412 4.780 4.340 0.048 0.000 0.315 40 Q C -1.647 174.309 176.000 -0.073 0.000 1.004 40 Q CA -1.161 54.608 55.803 -0.057 0.000 0.777 40 Q CB 1.252 29.966 28.738 -0.041 0.000 1.506 40 Q HN 0.139 nan 8.270 nan 0.000 0.489 41 D N 1.455 121.822 120.400 -0.055 0.000 2.458 41 D HA 0.194 4.863 4.640 0.048 0.000 0.243 41 D C -0.961 175.302 176.300 -0.062 0.000 1.146 41 D CA 0.835 54.802 54.000 -0.055 0.000 0.877 41 D CB 0.674 41.454 40.800 -0.033 0.000 1.176 41 D HN 0.255 nan 8.370 nan 0.000 0.461 42 T N 1.892 116.401 114.554 -0.075 0.000 2.893 42 T HA 0.465 4.844 4.350 0.048 0.000 0.293 42 T C -2.693 171.975 174.700 -0.052 0.000 1.027 42 T CA -1.748 60.305 62.100 -0.079 0.000 0.988 42 T CB 1.944 70.731 68.868 -0.135 0.000 1.043 42 T HN 0.012 nan 8.240 nan 0.000 0.461 43 P HA 0.191 nan 4.420 nan 0.000 0.263 43 P C 0.966 178.270 177.300 0.007 0.000 1.195 43 P CA -0.041 63.056 63.100 -0.006 0.000 0.762 43 P CB 0.226 31.925 31.700 -0.002 0.000 0.799 44 I N 2.377 122.979 120.570 0.053 0.000 2.229 44 I HA -0.359 3.840 4.170 0.048 0.000 0.250 44 I C 1.902 178.119 176.117 0.167 0.000 1.096 44 I CA 1.871 63.255 61.300 0.141 0.000 1.358 44 I CB -0.517 37.587 38.000 0.174 0.000 1.047 44 I HN 0.500 nan 8.210 nan 0.000 0.422 45 N N 0.521 119.282 118.700 0.102 0.000 2.449 45 N HA -0.128 4.641 4.740 0.048 0.000 0.191 45 N C 1.361 176.900 175.510 0.049 0.000 1.161 45 N CA 0.750 53.856 53.050 0.093 0.000 0.863 45 N CB -0.023 38.504 38.487 0.067 0.000 0.980 45 N HN 0.537 nan 8.380 nan 0.000 0.458 46 Q N -0.335 119.471 119.800 0.009 0.000 2.394 46 Q HA 0.318 4.687 4.340 0.048 0.000 0.218 46 Q C 1.679 177.631 176.000 -0.079 0.000 0.907 46 Q CA 0.106 55.891 55.803 -0.029 0.000 0.919 46 Q CB 0.517 29.230 28.738 -0.042 0.000 1.051 46 Q HN 0.350 nan 8.270 nan 0.000 0.538 47 I N -0.182 120.294 120.570 -0.157 0.000 2.188 47 I HA -0.123 4.076 4.170 0.048 0.000 0.237 47 I C 0.125 176.020 176.117 -0.370 0.000 1.073 47 I CA 0.853 61.941 61.300 -0.354 0.000 1.359 47 I CB 0.097 37.720 38.000 -0.629 0.000 1.083 47 I HN -0.010 nan 8.210 nan 0.000 0.412 48 F N 1.881 121.862 119.950 0.052 0.000 2.377 48 F HA 0.138 4.694 4.527 0.048 0.000 0.360 48 F C 1.700 177.518 175.800 0.031 0.000 1.147 48 F CA -0.624 57.404 58.000 0.048 0.000 1.170 48 F CB 0.092 39.124 39.000 0.052 0.000 1.339 48 F HN 0.000 nan 8.300 nan 0.000 0.552 49 T N -2.558 112.078 114.554 0.137 0.000 3.007 49 T HA -0.141 4.238 4.350 0.048 0.000 0.270 49 T C 0.556 175.308 174.700 0.087 0.000 1.107 49 T CA 0.307 62.458 62.100 0.085 0.000 1.118 49 T CB -0.126 68.769 68.868 0.046 0.000 0.889 49 T HN 0.466 nan 8.240 nan 0.000 0.506 50 D N 1.100 121.567 120.400 0.112 0.000 2.317 50 D HA 0.107 4.776 4.640 0.048 0.000 0.252 50 D C 0.797 177.143 176.300 0.077 0.000 1.174 50 D CA 0.006 54.053 54.000 0.078 0.000 0.866 50 D CB 1.567 42.407 40.800 0.066 0.000 1.127 50 D HN 0.014 nan 8.370 nan 0.000 0.467 51 T N 3.277 117.863 114.554 0.053 0.000 2.624 51 T HA -0.217 4.161 4.350 0.048 0.000 0.268 51 T C 1.735 176.457 174.700 0.036 0.000 1.041 51 T CA 2.007 64.132 62.100 0.043 0.000 1.159 51 T CB -0.065 68.822 68.868 0.031 0.000 0.863 51 T HN 0.642 nan 8.240 nan 0.000 0.434 52 A N 0.759 123.597 122.820 0.030 0.000 1.902 52 A HA -0.003 4.346 4.320 0.048 0.000 0.217 52 A C 2.199 179.791 177.584 0.013 0.000 1.181 52 A CA 1.313 53.363 52.037 0.021 0.000 0.623 52 A CB -0.723 18.291 19.000 0.025 0.000 0.818 52 A HN 0.434 nan 8.150 nan 0.000 0.443 53 L N -0.327 120.910 121.223 0.022 0.000 2.156 53 L HA 0.062 4.431 4.340 0.048 0.000 0.208 53 L C 2.607 179.419 176.870 -0.096 0.000 1.095 53 L CA 1.851 56.677 54.840 -0.023 0.000 0.770 53 L CB -0.971 41.097 42.059 0.016 0.000 0.914 53 L HN 0.343 nan 8.230 nan 0.000 0.439 54 A N -0.729 122.102 122.820 0.018 0.000 1.908 54 A HA -0.176 4.173 4.320 0.048 0.000 0.218 54 A C 2.106 179.687 177.584 -0.005 0.000 1.181 54 A CA 1.693 53.763 52.037 0.055 0.000 0.627 54 A CB -0.472 18.600 19.000 0.120 0.000 0.818 54 A HN 0.515 nan 8.150 nan 0.000 0.445 55 E N -0.264 119.931 120.200 -0.008 0.000 2.152 55 E HA -0.165 4.214 4.350 0.048 0.000 0.192 55 E C 1.952 178.530 176.600 -0.037 0.000 0.983 55 E CA 1.478 57.870 56.400 -0.012 0.000 0.818 55 E CB -0.227 29.471 29.700 -0.003 0.000 0.758 55 E HN 0.641 nan 8.360 nan 0.000 0.467 56 K N 0.599 120.962 120.400 -0.062 0.000 2.057 56 K HA -0.057 4.292 4.320 0.048 0.000 0.206 56 K C 1.893 178.422 176.600 -0.120 0.000 1.050 56 K CA 1.031 57.268 56.287 -0.084 0.000 0.935 56 K CB -0.085 32.362 32.500 -0.087 0.000 0.715 56 K HN -0.062 nan 8.250 nan 0.000 0.439 57 M N 1.082 120.565 119.600 -0.196 0.000 2.254 57 M HA -0.024 4.485 4.480 0.048 0.000 0.265 57 M C 1.963 178.217 176.300 -0.076 0.000 1.066 57 M CA 1.368 56.525 55.300 -0.238 0.000 1.123 57 M CB -0.788 31.472 32.600 -0.567 0.000 1.388 57 M HN 0.250 nan 8.290 nan 0.000 0.425 58 K N -0.011 120.367 120.400 -0.038 0.000 2.063 58 K HA -0.152 4.197 4.320 0.048 0.000 0.208 58 K C 1.644 178.239 176.600 -0.008 0.000 1.048 58 K CA 1.929 58.217 56.287 0.001 0.000 0.928 58 K CB 0.019 32.524 32.500 0.008 0.000 0.713 58 K HN 0.255 nan 8.250 nan 0.000 0.442 59 T N 0.840 115.380 114.554 -0.023 0.000 2.737 59 T HA -0.090 4.289 4.350 0.048 0.000 0.265 59 T C 1.955 176.642 174.700 -0.023 0.000 1.038 59 T CA 1.331 63.418 62.100 -0.021 0.000 1.144 59 T CB -0.176 68.676 68.868 -0.027 0.000 0.866 59 T HN 0.010 nan 8.240 nan 0.000 0.434 60 V N 1.619 121.511 119.914 -0.037 0.000 2.343 60 V HA -0.075 4.074 4.120 0.048 0.000 0.247 60 V C 2.177 178.267 176.094 -0.007 0.000 1.051 60 V CA 1.473 63.755 62.300 -0.031 0.000 1.036 60 V CB -0.608 31.183 31.823 -0.053 0.000 0.654 60 V HN 0.458 nan 8.190 nan 0.000 0.451 61 L N 0.458 121.683 121.223 0.004 0.000 2.627 61 L HA 0.285 4.654 4.340 0.048 0.000 0.233 61 L C 1.705 178.587 176.870 0.020 0.000 1.144 61 L CA 0.680 55.536 54.840 0.026 0.000 0.892 61 L CB -0.781 41.312 42.059 0.056 0.000 1.039 61 L HN 0.539 nan 8.230 nan 0.000 0.442 62 G N 0.175 108.980 108.800 0.009 0.000 2.203 62 G HA2 -0.269 3.720 3.960 0.048 0.000 0.263 62 G HA3 -0.269 3.720 3.960 0.048 0.000 0.263 62 G C 0.435 175.341 174.900 0.010 0.000 1.012 62 G CA 0.298 45.402 45.100 0.008 0.000 0.749 62 G HN 0.272 nan 8.290 nan 0.000 0.512 63 K N -0.834 119.575 120.400 0.014 0.000 2.109 63 K HA 0.554 4.903 4.320 0.048 0.000 0.243 63 K C 1.295 177.902 176.600 0.012 0.000 1.006 63 K CA -0.038 56.259 56.287 0.016 0.000 0.917 63 K CB 0.701 33.216 32.500 0.025 0.000 1.081 63 K HN 0.034 nan 8.250 nan 0.000 0.468 64 T N -0.112 114.449 114.554 0.012 0.000 3.039 64 T HA 0.022 4.401 4.350 0.048 0.000 0.250 64 T C 0.483 175.189 174.700 0.011 0.000 1.052 64 T CA 0.464 62.569 62.100 0.009 0.000 1.125 64 T CB 0.075 68.947 68.868 0.008 0.000 0.908 64 T HN 0.521 nan 8.240 nan 0.000 0.473 65 N N -0.065 118.643 118.700 0.015 0.000 2.708 65 N HA 0.179 4.948 4.740 0.048 0.000 0.257 65 N C 1.048 176.574 175.510 0.026 0.000 1.373 65 N CA -0.106 52.955 53.050 0.018 0.000 0.843 65 N CB 2.155 40.651 38.487 0.015 0.000 1.503 65 N HN -0.099 nan 8.380 nan 0.000 0.504 66 V N -0.967 118.965 119.914 0.031 0.000 2.546 66 V HA -0.187 3.962 4.120 0.048 0.000 0.254 66 V C 1.815 177.937 176.094 0.046 0.000 1.076 66 V CA 2.332 64.660 62.300 0.046 0.000 1.087 66 V CB -1.597 30.254 31.823 0.047 0.000 0.674 66 V HN 0.823 nan 8.190 nan 0.000 0.470 67 T N -3.027 111.546 114.554 0.031 0.000 3.148 67 T HA 0.098 4.477 4.350 0.048 0.000 0.253 67 T C 0.320 175.031 174.700 0.019 0.000 1.134 67 T CA 0.126 62.240 62.100 0.023 0.000 1.051 67 T CB -0.631 68.246 68.868 0.016 0.000 0.959 67 T HN 0.481 nan 8.240 nan 0.000 0.525 68 D N 3.929 124.343 120.400 0.023 0.000 2.417 68 D HA 0.207 4.876 4.640 0.048 0.000 0.250 68 D C 0.742 177.054 176.300 0.019 0.000 1.166 68 D CA 0.329 54.340 54.000 0.019 0.000 0.881 68 D CB 1.013 41.826 40.800 0.022 0.000 1.164 68 D HN 0.444 nan 8.370 nan 0.000 0.467 69 T N -0.921 113.638 114.554 0.008 0.000 2.900 69 T HA 0.461 4.840 4.350 0.048 0.000 0.307 69 T C 0.357 175.060 174.700 0.005 0.000 1.065 69 T CA -0.760 61.340 62.100 -0.001 0.000 1.105 69 T CB 0.774 69.635 68.868 -0.010 0.000 0.979 69 T HN 0.188 nan 8.240 nan 0.000 0.544 70 V N -1.054 118.857 119.914 -0.004 0.000 3.078 70 V HA 0.884 5.033 4.120 0.048 0.000 0.311 70 V C -0.073 176.008 176.094 -0.021 0.000 1.138 70 V CA -0.907 61.395 62.300 0.003 0.000 1.007 70 V CB 1.511 33.355 31.823 0.034 0.000 1.045 70 V HN 1.302 nan 8.190 nan 0.000 0.432 71 S N 0.603 116.296 115.700 -0.011 0.000 2.681 71 S HA 0.469 4.968 4.470 0.048 0.000 0.299 71 S C 0.688 175.276 174.600 -0.019 0.000 1.113 71 S CA -0.039 58.147 58.200 -0.023 0.000 1.013 71 S CB 1.849 65.043 63.200 -0.010 0.000 1.076 71 S HN 0.925 nan 8.310 nan 0.000 0.534 72 Q N 1.148 120.930 119.800 -0.029 0.000 2.135 72 Q HA -0.064 4.305 4.340 0.048 0.000 0.204 72 Q C 1.820 177.832 176.000 0.020 0.000 0.981 72 Q CA 2.575 58.374 55.803 -0.007 0.000 0.856 72 Q CB -1.256 27.479 28.738 -0.006 0.000 0.902 72 Q HN 0.915 nan 8.270 nan 0.000 0.425 73 T N 0.683 115.246 114.554 0.015 0.000 2.867 73 T HA -0.101 4.278 4.350 0.048 0.000 0.268 73 T C 0.961 175.678 174.700 0.028 0.000 1.057 73 T CA 1.262 63.375 62.100 0.021 0.000 1.136 73 T CB -0.256 68.621 68.868 0.014 0.000 0.874 73 T HN 0.336 nan 8.240 nan 0.000 0.466 74 D N 1.195 121.612 120.400 0.029 0.000 2.123 74 D HA 0.044 4.713 4.640 0.048 0.000 0.200 74 D C 2.171 178.506 176.300 0.059 0.000 0.976 74 D CA 0.579 54.602 54.000 0.038 0.000 0.831 74 D CB -0.347 40.475 40.800 0.036 0.000 0.974 74 D HN 0.311 nan 8.370 nan 0.000 0.469 75 L N 0.910 122.177 121.223 0.072 0.000 2.042 75 L HA -0.170 4.199 4.340 0.048 0.000 0.210 75 L C 1.616 178.547 176.870 0.101 0.000 1.076 75 L CA 1.049 55.957 54.840 0.113 0.000 0.749 75 L CB -0.351 41.780 42.059 0.121 0.000 0.893 75 L HN -0.082 nan 8.230 nan 0.000 0.432 76 D N -0.514 119.931 120.400 0.075 0.000 2.392 76 D HA -0.118 4.550 4.640 0.048 0.000 0.228 76 D C 2.175 178.505 176.300 0.050 0.000 1.003 76 D CA 0.571 54.608 54.000 0.062 0.000 0.917 76 D CB 0.118 40.947 40.800 0.049 0.000 0.890 76 D HN 0.367 nan 8.370 nan 0.000 0.532 77 Q N -0.256 119.574 119.800 0.049 0.000 2.250 77 Q HA 0.052 4.421 4.340 0.048 0.000 0.200 77 Q C 0.693 176.716 176.000 0.038 0.000 0.941 77 Q CA 0.155 55.980 55.803 0.037 0.000 0.872 77 Q CB 0.067 28.824 28.738 0.032 0.000 0.965 77 Q HN 0.125 nan 8.270 nan 0.000 0.480 78 V N 3.153 123.097 119.914 0.051 0.000 2.425 78 V HA -0.010 4.139 4.120 0.048 0.000 0.276 78 V C 1.508 177.626 176.094 0.041 0.000 1.017 78 V CA 1.121 63.448 62.300 0.045 0.000 1.062 78 V CB 0.255 32.117 31.823 0.065 0.000 0.997 78 V HN 0.409 nan 8.190 nan 0.000 0.476 79 T N 0.300 114.868 114.554 0.024 0.000 2.969 79 T HA 0.144 4.523 4.350 0.048 0.000 0.250 79 T C 0.640 175.345 174.700 0.008 0.000 1.021 79 T CA 0.200 62.312 62.100 0.020 0.000 1.003 79 T CB 0.467 69.343 68.868 0.015 0.000 1.040 79 T HN 0.567 nan 8.240 nan 0.000 0.492 80 T N 2.145 116.695 114.554 -0.007 0.000 2.971 80 T HA 0.668 5.047 4.350 0.048 0.000 0.304 80 T C -1.981 172.684 174.700 -0.058 0.000 1.038 80 T CA -0.603 61.479 62.100 -0.030 0.000 1.007 80 T CB 2.170 71.020 68.868 -0.031 0.000 1.055 80 T HN 0.216 nan 8.240 nan 0.000 0.451 81 L N 3.671 124.831 121.223 -0.105 0.000 2.406 81 L HA 0.476 4.845 4.340 0.048 0.000 0.270 81 L C -1.069 175.635 176.870 -0.278 0.000 0.982 81 L CA -0.369 54.366 54.840 -0.175 0.000 0.843 81 L CB 1.637 43.594 42.059 -0.170 0.000 1.225 81 L HN 0.480 nan 8.230 nan 0.000 0.412 82 Q N 5.449 125.115 119.800 -0.224 0.000 2.509 82 Q HA 0.549 4.918 4.340 0.048 0.000 0.236 82 Q C -0.118 175.738 176.000 -0.240 0.000 1.073 82 Q CA -0.068 55.595 55.803 -0.233 0.000 0.867 82 Q CB 1.628 30.281 28.738 -0.141 0.000 1.181 82 Q HN 0.713 nan 8.270 nan 0.000 0.526 83 A N 2.829 125.427 122.820 -0.370 0.000 2.855 83 A HA 0.163 4.512 4.320 0.048 0.000 0.301 83 A C 0.019 177.516 177.584 -0.146 0.000 1.076 83 A CA -0.641 51.236 52.037 -0.266 0.000 1.004 83 A CB 0.041 18.856 19.000 -0.309 0.000 1.152 83 A HN 0.552 nan 8.150 nan 0.000 0.531 84 D N -0.388 119.938 120.400 -0.124 0.000 2.339 84 D HA 0.210 4.879 4.640 0.048 0.000 0.245 84 D C 0.143 176.433 176.300 -0.017 0.000 1.115 84 D CA -0.340 53.629 54.000 -0.052 0.000 0.917 84 D CB 0.456 41.221 40.800 -0.058 0.000 1.192 84 D HN 0.277 nan 8.370 nan 0.000 0.428 85 R N -0.105 120.398 120.500 0.005 0.000 3.531 85 R HA -0.154 4.215 4.340 0.048 0.000 0.280 85 R C 0.173 176.479 176.300 0.010 0.000 1.130 85 R CA 0.306 56.410 56.100 0.007 0.000 0.757 85 R CB -1.965 28.335 30.300 -0.001 0.000 1.218 85 R HN 0.557 nan 8.270 nan 0.000 0.454 86 L N -1.100 120.137 121.223 0.023 0.000 2.906 86 L HA 0.237 4.606 4.340 0.048 0.000 0.255 86 L C 1.407 178.294 176.870 0.027 0.000 1.166 86 L CA 0.494 55.347 54.840 0.021 0.000 0.977 86 L CB 1.050 43.123 42.059 0.023 0.000 1.313 86 L HN 0.512 nan 8.230 nan 0.000 0.549 87 G N 1.654 110.472 108.800 0.029 0.000 2.198 87 G HA2 -0.297 3.691 3.960 0.048 0.000 0.260 87 G HA3 -0.297 3.691 3.960 0.048 0.000 0.260 87 G C 0.202 175.119 174.900 0.028 0.000 1.025 87 G CA -0.007 45.108 45.100 0.025 0.000 0.769 87 G HN 0.322 nan 8.290 nan 0.000 0.507 88 I N -0.396 120.199 120.570 0.042 0.000 2.533 88 I HA 0.163 4.362 4.170 0.048 0.000 0.284 88 I C 1.485 177.608 176.117 0.010 0.000 1.109 88 I CA 0.383 61.706 61.300 0.038 0.000 1.412 88 I CB 0.978 39.025 38.000 0.078 0.000 1.396 88 I HN 0.115 nan 8.210 nan 0.000 0.543 89 K N 2.793 123.193 120.400 -0.001 0.000 2.365 89 K HA 0.161 4.510 4.320 0.048 0.000 0.195 89 K C 0.413 176.993 176.600 -0.032 0.000 1.079 89 K CA 0.225 56.504 56.287 -0.013 0.000 0.979 89 K CB 0.617 33.115 32.500 -0.003 0.000 0.929 89 K HN 0.552 nan 8.250 nan 0.000 0.523 90 S N 0.777 116.457 115.700 -0.033 0.000 2.547 90 S HA 0.358 4.857 4.470 0.048 0.000 0.281 90 S C -0.070 174.488 174.600 -0.069 0.000 1.118 90 S CA -0.907 57.265 58.200 -0.048 0.000 0.947 90 S CB 1.003 64.194 63.200 -0.015 0.000 1.053 90 S HN 0.296 nan 8.310 nan 0.000 0.482 91 I N 0.225 120.714 120.570 -0.136 0.000 3.884 91 I HA 0.472 4.671 4.170 0.048 0.000 0.330 91 I C -0.472 175.632 176.117 -0.021 0.000 1.451 91 I CA -0.584 60.613 61.300 -0.172 0.000 1.165 91 I CB -0.257 37.438 38.000 -0.507 0.000 1.097 91 I HN 0.304 nan 8.210 nan 0.000 0.404 92 D N 3.005 123.410 120.400 0.009 0.000 2.533 92 D HA 0.281 4.950 4.640 0.048 0.000 0.236 92 D C 1.328 177.679 176.300 0.086 0.000 1.137 92 D CA 1.866 55.879 54.000 0.022 0.000 0.867 92 D CB 1.145 41.955 40.800 0.017 0.000 1.170 92 D HN 0.596 nan 8.370 nan 0.000 0.474 93 G N 0.805 109.610 108.800 0.009 0.000 2.313 93 G HA2 -0.328 3.661 3.960 0.048 0.000 0.215 93 G HA3 -0.328 3.661 3.960 0.048 0.000 0.215 93 G C 1.215 176.165 174.900 0.083 0.000 1.023 93 G CA 0.284 45.313 45.100 -0.118 0.000 0.626 93 G HN 0.762 nan 8.290 nan 0.000 0.503 94 V N 0.867 120.938 119.914 0.261 0.000 2.913 94 V HA 0.050 4.199 4.120 0.048 0.000 0.260 94 V C 2.511 178.656 176.094 0.086 0.000 1.098 94 V CA 2.517 64.991 62.300 0.289 0.000 1.121 94 V CB -0.247 31.718 31.823 0.238 0.000 0.714 94 V HN 0.698 nan 8.190 nan 0.000 0.487 95 E N 0.791 120.929 120.200 -0.103 0.000 2.209 95 E HA -0.278 4.101 4.350 0.048 0.000 0.196 95 E C 1.769 178.215 176.600 -0.256 0.000 0.993 95 E CA 1.877 58.135 56.400 -0.238 0.000 0.819 95 E CB -0.874 28.595 29.700 -0.385 0.000 0.745 95 E HN 0.727 nan 8.360 nan 0.000 0.477 96 Y N 0.831 121.131 120.300 -0.001 0.000 2.529 96 Y HA 0.209 4.788 4.550 0.049 0.000 0.290 96 Y C 1.317 177.246 175.900 0.048 0.000 1.177 96 Y CA 0.200 58.297 58.100 -0.004 0.000 1.305 96 Y CB 0.029 38.450 38.460 -0.067 0.000 1.047 96 Y HN -0.087 nan 8.280 nan 0.000 0.522 97 L N 1.390 122.731 121.223 0.196 0.000 2.536 97 L HA 0.117 4.486 4.340 0.048 0.000 0.242 97 L C 0.782 177.717 176.870 0.109 0.000 1.280 97 L CA -0.184 54.762 54.840 0.176 0.000 1.221 97 L CB -0.161 42.027 42.059 0.215 0.000 1.449 97 L HN 0.269 nan 8.230 nan 0.000 0.405 98 N N 0.995 119.750 118.700 0.091 0.000 2.205 98 N HA -0.149 4.620 4.740 0.048 0.000 0.186 98 N C 0.857 176.396 175.510 0.049 0.000 1.015 98 N CA 1.192 54.276 53.050 0.058 0.000 0.862 98 N CB 0.115 38.635 38.487 0.055 0.000 0.986 98 N HN 0.522 nan 8.380 nan 0.000 0.429 99 N N 0.749 119.482 118.700 0.055 0.000 2.276 99 N HA 0.113 4.881 4.740 0.048 0.000 0.212 99 N C -0.005 175.529 175.510 0.041 0.000 1.127 99 N CA -0.038 53.037 53.050 0.042 0.000 0.834 99 N CB 0.516 39.026 38.487 0.038 0.000 1.014 99 N HN 0.240 nan 8.380 nan 0.000 0.491 100 L N 1.124 122.378 121.223 0.051 0.000 2.499 100 L HA 0.016 4.385 4.340 0.048 0.000 0.273 100 L C 1.735 178.626 176.870 0.036 0.000 1.195 100 L CA 0.333 55.202 54.840 0.048 0.000 0.882 100 L CB 0.698 42.800 42.059 0.071 0.000 1.133 100 L HN 0.174 nan 8.230 nan 0.000 0.483 101 T N -0.910 113.658 114.554 0.024 0.000 2.955 101 T HA 0.185 4.564 4.350 0.048 0.000 0.251 101 T C 0.502 175.210 174.700 0.013 0.000 1.002 101 T CA -0.164 61.947 62.100 0.018 0.000 0.970 101 T CB 0.462 69.338 68.868 0.013 0.000 1.091 101 T HN 0.587 nan 8.240 nan 0.000 0.495 102 Q N 1.104 120.907 119.800 0.004 0.000 2.289 102 Q HA 0.690 5.059 4.340 0.048 0.000 0.270 102 Q C -1.401 174.578 176.000 -0.035 0.000 1.038 102 Q CA -0.889 54.907 55.803 -0.011 0.000 0.812 102 Q CB 3.059 31.785 28.738 -0.020 0.000 1.300 102 Q HN 0.640 nan 8.270 nan 0.000 0.427 103 I N -0.819 119.723 120.570 -0.045 0.000 2.686 103 I HA 0.636 4.835 4.170 0.048 0.000 0.295 103 I C -1.318 174.693 176.117 -0.177 0.000 1.114 103 I CA -0.888 60.333 61.300 -0.131 0.000 1.038 103 I CB 2.357 40.364 38.000 0.012 0.000 1.238 103 I HN 0.370 nan 8.210 nan 0.000 0.420 104 N N 4.687 123.169 118.700 -0.363 0.000 2.524 104 N HA 0.442 5.211 4.740 0.048 0.000 0.261 104 N C -1.307 173.896 175.510 -0.512 0.000 0.998 104 N CA -0.564 52.309 53.050 -0.296 0.000 0.915 104 N CB 0.917 39.281 38.487 -0.205 0.000 1.187 104 N HN 0.676 nan 8.380 nan 0.000 0.507 105 F N 0.616 120.538 119.950 -0.045 0.000 2.708 105 F HA 0.212 4.765 4.527 0.044 0.000 0.300 105 F C 1.349 177.113 175.800 -0.061 0.000 1.118 105 F CA -0.532 57.440 58.000 -0.046 0.000 1.307 105 F CB -0.089 38.889 39.000 -0.038 0.000 0.986 105 F HN 0.262 nan 8.300 nan 0.000 0.522 106 S N 0.334 116.050 115.700 0.026 0.000 2.573 106 S HA 0.070 4.568 4.470 0.048 0.000 0.277 106 S C 0.612 175.207 174.600 -0.008 0.000 1.346 106 S CA -0.462 57.719 58.200 -0.031 0.000 1.034 106 S CB 0.309 63.455 63.200 -0.090 0.000 0.879 106 S HN 0.472 nan 8.310 nan 0.000 0.528 107 N N 1.817 120.501 118.700 -0.025 0.000 2.726 107 N HA -0.134 4.635 4.740 0.048 0.000 0.253 107 N C -0.896 174.624 175.510 0.017 0.000 1.059 107 N CA 0.660 53.706 53.050 -0.005 0.000 0.701 107 N CB -1.590 36.896 38.487 -0.002 0.000 0.899 107 N HN 0.739 nan 8.380 nan 0.000 0.548 108 N N 0.180 118.893 118.700 0.023 0.000 3.513 108 N HA 0.308 5.077 4.740 0.048 0.000 0.351 108 N C -0.075 175.444 175.510 0.016 0.000 1.624 108 N CA -0.348 52.722 53.050 0.034 0.000 0.712 108 N CB 0.481 39.012 38.487 0.073 0.000 2.106 108 N HN 0.136 nan 8.380 nan 0.000 0.649 109 Q N 0.878 120.684 119.800 0.011 0.000 2.233 109 Q HA 0.431 4.800 4.340 0.048 0.000 0.340 109 Q C -0.630 175.362 176.000 -0.014 0.000 0.899 109 Q CA -0.124 55.679 55.803 -0.000 0.000 1.139 109 Q CB 0.562 29.302 28.738 0.003 0.000 1.273 109 Q HN 0.305 nan 8.270 nan 0.000 0.431 110 L N 0.621 121.829 121.223 -0.024 0.000 2.426 110 L HA 0.190 4.559 4.340 0.048 0.000 0.271 110 L C 1.285 178.132 176.870 -0.039 0.000 1.169 110 L CA 0.254 55.064 54.840 -0.050 0.000 0.836 110 L CB 0.579 42.590 42.059 -0.081 0.000 1.112 110 L HN 0.356 nan 8.230 nan 0.000 0.465 111 T N -2.526 112.002 114.554 -0.043 0.000 3.311 111 T HA 0.049 4.428 4.350 0.048 0.000 0.239 111 T C 0.305 174.980 174.700 -0.041 0.000 0.976 111 T CA -0.287 61.793 62.100 -0.033 0.000 1.283 111 T CB -0.029 68.825 68.868 -0.024 0.000 1.113 111 T HN 0.439 nan 8.240 nan 0.000 0.392 112 D N 2.043 122.415 120.400 -0.047 0.000 2.348 112 D HA 0.256 4.925 4.640 0.048 0.000 0.253 112 D C 0.673 176.930 176.300 -0.072 0.000 1.161 112 D CA -0.674 53.296 54.000 -0.050 0.000 0.876 112 D CB 0.525 41.298 40.800 -0.045 0.000 1.160 112 D HN 0.629 nan 8.370 nan 0.000 0.459 113 I N 0.269 120.799 120.570 -0.067 0.000 3.936 113 I HA 0.178 4.377 4.170 0.048 0.000 0.330 113 I C 1.069 177.145 176.117 -0.068 0.000 1.509 113 I CA -0.549 60.701 61.300 -0.083 0.000 1.126 113 I CB 0.274 38.231 38.000 -0.071 0.000 1.115 113 I HN 0.100 nan 8.210 nan 0.000 0.424 114 T N 2.753 117.270 114.554 -0.061 0.000 2.714 114 T HA -0.110 4.269 4.350 0.048 0.000 0.268 114 T C -0.504 174.155 174.700 -0.068 0.000 1.036 114 T CA 2.267 64.333 62.100 -0.057 0.000 1.148 114 T CB -1.198 67.639 68.868 -0.052 0.000 0.856 114 T HN 0.402 nan 8.240 nan 0.000 0.462 115 P HA 0.079 nan 4.420 nan 0.000 0.228 115 P C 1.181 178.438 177.300 -0.072 0.000 1.151 115 P CA 0.664 63.708 63.100 -0.093 0.000 0.770 115 P CB -0.257 31.387 31.700 -0.093 0.000 0.786 116 L N -0.734 120.457 121.223 -0.054 0.000 2.395 116 L HA -0.048 4.321 4.340 0.048 0.000 0.218 116 L C 2.420 179.276 176.870 -0.024 0.000 1.130 116 L CA 0.868 55.693 54.840 -0.024 0.000 0.826 116 L CB -0.667 41.386 42.059 -0.011 0.000 0.941 116 L HN -0.000 nan 8.230 nan 0.000 0.451 117 K N 1.320 121.698 120.400 -0.037 0.000 2.074 117 K HA -0.211 4.138 4.320 0.048 0.000 0.209 117 K C 1.119 177.703 176.600 -0.027 0.000 1.048 117 K CA 1.913 58.181 56.287 -0.031 0.000 0.926 117 K CB -0.034 32.443 32.500 -0.039 0.000 0.713 117 K HN 0.457 nan 8.250 nan 0.000 0.444 118 N N -0.095 118.584 118.700 -0.035 0.000 2.230 118 N HA 0.110 4.879 4.740 0.048 0.000 0.202 118 N C -0.575 174.925 175.510 -0.017 0.000 1.119 118 N CA -0.293 52.740 53.050 -0.029 0.000 0.851 118 N CB 0.496 38.956 38.487 -0.045 0.000 0.990 118 N HN 0.033 nan 8.380 nan 0.000 0.497 119 L N 1.824 123.041 121.223 -0.009 0.000 2.423 119 L HA 0.130 4.499 4.340 0.048 0.000 0.249 119 L C 1.263 178.140 176.870 0.012 0.000 1.276 119 L CA -0.077 54.768 54.840 0.007 0.000 1.199 119 L CB -0.358 41.714 42.059 0.022 0.000 1.407 119 L HN 0.240 nan 8.230 nan 0.000 0.410 120 T N -3.978 110.581 114.554 0.008 0.000 3.148 120 T HA -0.023 4.356 4.350 0.048 0.000 0.253 120 T C 1.436 176.144 174.700 0.012 0.000 1.134 120 T CA 0.224 62.329 62.100 0.009 0.000 1.051 120 T CB -0.006 68.865 68.868 0.005 0.000 0.959 120 T HN 0.339 nan 8.240 nan 0.000 0.525 121 K N 0.521 120.930 120.400 0.016 0.000 2.459 121 K HA 0.276 4.624 4.320 0.048 0.000 0.193 121 K C 0.259 176.871 176.600 0.020 0.000 1.030 121 K CA -0.089 56.208 56.287 0.017 0.000 1.026 121 K CB -0.165 32.347 32.500 0.020 0.000 0.809 121 K HN 0.411 nan 8.250 nan 0.000 0.504 122 L N 1.691 122.928 121.223 0.023 0.000 2.513 122 L HA -0.047 4.322 4.340 0.048 0.000 0.272 122 L C 1.251 178.134 176.870 0.021 0.000 1.187 122 L CA -0.191 54.665 54.840 0.026 0.000 0.895 122 L CB 0.768 42.847 42.059 0.033 0.000 1.147 122 L HN 0.025 nan 8.230 nan 0.000 0.483 123 V N -1.462 118.463 119.914 0.019 0.000 3.604 123 V HA 0.360 4.509 4.120 0.048 0.000 0.277 123 V C 0.015 176.119 176.094 0.017 0.000 1.399 123 V CA 0.098 62.408 62.300 0.016 0.000 1.034 123 V CB 0.767 32.598 31.823 0.013 0.000 0.824 123 V HN 0.779 nan 8.190 nan 0.000 0.439 124 D N -0.316 120.094 120.400 0.017 0.000 2.990 124 D HA 0.644 5.313 4.640 0.048 0.000 0.227 124 D C -1.285 175.026 176.300 0.018 0.000 1.249 124 D CA -0.226 53.784 54.000 0.017 0.000 0.891 124 D CB 2.197 43.002 40.800 0.009 0.000 1.647 124 D HN 0.270 nan 8.370 nan 0.000 0.530 125 I N 3.824 124.408 120.570 0.024 0.000 2.466 125 I HA 0.352 4.551 4.170 0.048 0.000 0.289 125 I C -0.846 175.281 176.117 0.016 0.000 1.026 125 I CA -0.767 60.552 61.300 0.032 0.000 1.078 125 I CB 1.701 39.730 38.000 0.048 0.000 1.249 125 I HN 0.250 nan 8.210 nan 0.000 0.429 126 L N 7.226 128.449 121.223 0.000 0.000 2.294 126 L HA 0.537 4.906 4.340 0.048 0.000 0.283 126 L C 0.160 177.013 176.870 -0.027 0.000 1.015 126 L CA -0.090 54.730 54.840 -0.033 0.000 0.831 126 L CB 1.317 43.348 42.059 -0.046 0.000 1.217 126 L HN 0.687 nan 8.230 nan 0.000 0.420 127 M N 2.811 122.367 119.600 -0.073 0.000 3.340 127 M HA 0.095 4.604 4.480 0.048 0.000 0.471 127 M C -0.287 175.914 176.300 -0.165 0.000 1.550 127 M CA -0.357 54.913 55.300 -0.050 0.000 0.754 127 M CB 0.621 33.231 32.600 0.016 0.000 1.485 127 M HN 0.611 nan 8.290 nan 0.000 0.530 128 N N 1.001 119.483 118.700 -0.363 0.000 2.479 128 N HA 0.027 4.796 4.740 0.048 0.000 0.257 128 N C -0.576 174.741 175.510 -0.321 0.000 1.232 128 N CA 0.458 53.139 53.050 -0.616 0.000 0.920 128 N CB 0.227 37.733 38.487 -1.636 0.000 1.105 128 N HN 0.248 nan 8.380 nan 0.000 0.444 129 N N -0.316 118.260 118.700 -0.208 0.000 2.791 129 N HA -0.135 4.634 4.740 0.048 0.000 0.250 129 N C -1.385 174.099 175.510 -0.043 0.000 1.082 129 N CA 0.536 53.540 53.050 -0.076 0.000 0.680 129 N CB -0.911 37.544 38.487 -0.053 0.000 0.918 129 N HN 0.667 nan 8.380 nan 0.000 0.555 130 N N -0.159 118.520 118.700 -0.036 0.000 3.513 130 N HA 0.384 5.153 4.740 0.048 0.000 0.351 130 N C -0.236 175.267 175.510 -0.011 0.000 1.624 130 N CA -0.424 52.615 53.050 -0.020 0.000 0.712 130 N CB 0.517 38.990 38.487 -0.023 0.000 2.106 130 N HN 0.136 nan 8.380 nan 0.000 0.649 131 Q N 0.525 120.318 119.800 -0.012 0.000 2.141 131 Q HA 0.478 4.847 4.340 0.048 0.000 0.248 131 Q C -0.685 175.309 176.000 -0.010 0.000 0.834 131 Q CA -0.124 55.675 55.803 -0.007 0.000 1.096 131 Q CB 0.352 29.087 28.738 -0.005 0.000 1.189 131 Q HN 0.430 nan 8.270 nan 0.000 0.471 132 I N 0.651 121.213 120.570 -0.014 0.000 2.598 132 I HA 0.030 4.229 4.170 0.048 0.000 0.284 132 I C 0.959 177.071 176.117 -0.008 0.000 1.140 132 I CA 0.095 61.385 61.300 -0.016 0.000 1.420 132 I CB 1.236 39.224 38.000 -0.020 0.000 1.387 132 I HN 0.255 nan 8.210 nan 0.000 0.553 133 A N 4.200 127.014 122.820 -0.010 0.000 2.127 133 A HA 0.111 4.460 4.320 0.048 0.000 0.204 133 A C 0.509 178.088 177.584 -0.008 0.000 1.243 133 A CA 0.231 52.265 52.037 -0.006 0.000 0.887 133 A CB 0.205 19.201 19.000 -0.006 0.000 0.933 133 A HN 0.640 nan 8.150 nan 0.000 0.479 134 D N 0.341 120.734 120.400 -0.012 0.000 2.440 134 D HA 0.418 5.087 4.640 0.048 0.000 0.239 134 D C 0.353 176.644 176.300 -0.015 0.000 1.084 134 D CA -0.466 53.526 54.000 -0.013 0.000 0.843 134 D CB 0.829 41.619 40.800 -0.016 0.000 1.097 134 D HN 0.357 nan 8.370 nan 0.000 0.531 135 I N 1.015 121.578 120.570 -0.012 0.000 3.891 135 I HA 0.159 4.358 4.170 0.048 0.000 0.331 135 I C 1.476 177.586 176.117 -0.011 0.000 1.406 135 I CA -0.284 61.009 61.300 -0.011 0.000 1.139 135 I CB -0.042 37.955 38.000 -0.005 0.000 1.056 135 I HN 0.202 nan 8.210 nan 0.000 0.399 136 T N -0.411 114.135 114.554 -0.014 0.000 2.778 136 T HA -0.027 4.352 4.350 0.048 0.000 0.269 136 T C -0.403 174.288 174.700 -0.015 0.000 1.050 136 T CA 1.191 63.283 62.100 -0.014 0.000 1.137 136 T CB -1.988 66.871 68.868 -0.015 0.000 0.860 136 T HN 0.311 nan 8.240 nan 0.000 0.468 137 P HA 0.127 nan 4.420 nan 0.000 0.228 137 P C 1.184 178.476 177.300 -0.014 0.000 1.151 137 P CA 0.597 63.684 63.100 -0.021 0.000 0.770 137 P CB -0.295 31.387 31.700 -0.028 0.000 0.786 138 L N -1.873 119.344 121.223 -0.009 0.000 2.509 138 L HA 0.095 4.464 4.340 0.048 0.000 0.222 138 L C 2.241 179.110 176.870 -0.002 0.000 1.123 138 L CA 0.466 55.304 54.840 -0.002 0.000 0.856 138 L CB -0.769 41.291 42.059 0.002 0.000 0.985 138 L HN -0.030 nan 8.230 nan 0.000 0.456 139 A N 0.577 123.393 122.820 -0.005 0.000 1.978 139 A HA -0.232 4.117 4.320 0.048 0.000 0.220 139 A C 1.921 179.503 177.584 -0.004 0.000 1.170 139 A CA 2.015 54.049 52.037 -0.005 0.000 0.636 139 A CB -0.450 18.545 19.000 -0.008 0.000 0.810 139 A HN 0.423 nan 8.150 nan 0.000 0.448 140 N N -0.603 118.095 118.700 -0.004 0.000 2.230 140 N HA 0.165 4.934 4.740 0.048 0.000 0.202 140 N C -0.018 175.492 175.510 0.000 0.000 1.119 140 N CA -0.026 53.022 53.050 -0.003 0.000 0.851 140 N CB -0.201 38.283 38.487 -0.006 0.000 0.990 140 N HN 0.380 nan 8.380 nan 0.000 0.497 141 L N 1.283 122.507 121.223 0.002 0.000 2.533 141 L HA 0.167 4.536 4.340 0.048 0.000 0.239 141 L C 1.284 178.159 176.870 0.008 0.000 1.376 141 L CA -0.100 54.744 54.840 0.007 0.000 1.240 141 L CB -0.634 41.431 42.059 0.010 0.000 1.487 141 L HN 0.176 nan 8.230 nan 0.000 0.419 142 T N -4.387 110.171 114.554 0.007 0.000 3.072 142 T HA -0.065 4.314 4.350 0.048 0.000 0.266 142 T C 1.369 176.074 174.700 0.009 0.000 1.127 142 T CA 0.482 62.586 62.100 0.007 0.000 1.107 142 T CB -0.143 68.728 68.868 0.005 0.000 0.910 142 T HN 0.361 nan 8.240 nan 0.000 0.513 143 N N 0.980 119.686 118.700 0.010 0.000 2.461 143 N HA 0.198 4.967 4.740 0.048 0.000 0.188 143 N C 0.250 175.768 175.510 0.013 0.000 1.134 143 N CA 0.015 53.072 53.050 0.011 0.000 0.878 143 N CB -0.219 38.275 38.487 0.011 0.000 0.972 143 N HN 0.482 nan 8.380 nan 0.000 0.456 144 L N 1.273 122.504 121.223 0.015 0.000 2.559 144 L HA -0.021 4.348 4.340 0.048 0.000 0.274 144 L C 1.588 178.469 176.870 0.018 0.000 1.205 144 L CA 0.284 55.135 54.840 0.018 0.000 0.907 144 L CB 0.538 42.609 42.059 0.020 0.000 1.153 144 L HN 0.174 nan 8.230 nan 0.000 0.490 145 T N -1.722 112.844 114.554 0.019 0.000 2.969 145 T HA 0.225 4.604 4.350 0.048 0.000 0.250 145 T C 0.611 175.326 174.700 0.025 0.000 1.021 145 T CA 0.239 62.352 62.100 0.020 0.000 1.003 145 T CB 0.588 69.467 68.868 0.017 0.000 1.040 145 T HN 0.609 nan 8.240 nan 0.000 0.492 146 G N 1.350 110.167 108.800 0.027 0.000 2.666 146 G HA2 0.635 4.624 3.960 0.048 0.000 0.303 146 G HA3 0.635 4.624 3.960 0.048 0.000 0.303 146 G C -2.025 172.897 174.900 0.037 0.000 1.412 146 G CA -0.664 44.457 45.100 0.035 0.000 0.979 146 G HN 0.335 nan 8.290 nan 0.000 0.507 147 L N 1.779 123.031 121.223 0.047 0.000 2.482 147 L HA 0.716 5.085 4.340 0.048 0.000 0.269 147 L C -0.546 176.362 176.870 0.064 0.000 0.967 147 L CA -0.321 54.547 54.840 0.046 0.000 0.851 147 L CB 2.256 44.340 42.059 0.041 0.000 1.242 147 L HN 0.396 nan 8.230 nan 0.000 0.404 148 T N 6.737 121.318 114.554 0.046 0.000 2.809 148 T HA 0.534 4.913 4.350 0.048 0.000 0.296 148 T C 0.470 175.141 174.700 -0.050 0.000 1.015 148 T CA -0.095 62.034 62.100 0.049 0.000 0.954 148 T CB 0.762 69.653 68.868 0.038 0.000 0.950 148 T HN 0.564 nan 8.240 nan 0.000 0.450 149 L N 2.963 124.184 121.223 -0.003 0.000 3.439 149 L HA 0.372 4.741 4.340 0.048 0.000 0.313 149 L C -0.032 176.838 176.870 0.001 0.000 1.292 149 L CA -0.670 54.147 54.840 -0.039 0.000 1.020 149 L CB 0.104 42.176 42.059 0.021 0.000 1.424 149 L HN 0.619 nan 8.230 nan 0.000 0.612 150 F N -1.284 118.689 119.950 0.038 0.000 2.496 150 F HA 0.342 4.879 4.527 0.016 0.000 0.344 150 F C 1.109 176.928 175.800 0.032 0.000 1.155 150 F CA -0.730 57.292 58.000 0.037 0.000 1.302 150 F CB 0.005 39.026 39.000 0.035 0.000 1.159 150 F HN 0.104 nan 8.300 nan 0.000 0.595 151 N N 1.831 120.689 118.700 0.263 0.000 2.681 151 N HA -0.238 4.531 4.740 0.048 0.000 0.259 151 N C -1.421 174.118 175.510 0.049 0.000 1.066 151 N CA 0.636 53.774 53.050 0.148 0.000 0.717 151 N CB -1.021 37.574 38.487 0.180 0.000 0.885 151 N HN 0.864 nan 8.380 nan 0.000 0.547 152 N N 0.193 118.923 118.700 0.050 0.000 3.513 152 N HA 0.344 5.113 4.740 0.048 0.000 0.351 152 N C -0.482 175.045 175.510 0.028 0.000 1.624 152 N CA -0.387 52.676 53.050 0.022 0.000 0.712 152 N CB 0.451 38.941 38.487 0.005 0.000 2.106 152 N HN 0.327 nan 8.380 nan 0.000 0.649 153 Q N 0.760 120.570 119.800 0.017 0.000 2.233 153 Q HA 0.461 4.830 4.340 0.048 0.000 0.340 153 Q C -0.605 175.404 176.000 0.014 0.000 0.899 153 Q CA -0.103 55.710 55.803 0.017 0.000 1.139 153 Q CB 0.465 29.209 28.738 0.010 0.000 1.273 153 Q HN 0.405 nan 8.270 nan 0.000 0.431 154 I N 0.069 120.651 120.570 0.019 0.000 2.441 154 I HA 0.083 4.282 4.170 0.048 0.000 0.287 154 I C 0.849 176.974 176.117 0.012 0.000 1.049 154 I CA 0.320 61.628 61.300 0.014 0.000 1.381 154 I CB 1.494 39.505 38.000 0.018 0.000 1.409 154 I HN 0.165 nan 8.210 nan 0.000 0.523 155 T N 1.703 116.259 114.554 0.003 0.000 3.182 155 T HA 0.030 4.409 4.350 0.048 0.000 0.244 155 T C 0.149 174.842 174.700 -0.012 0.000 0.981 155 T CA 0.102 62.200 62.100 -0.002 0.000 1.182 155 T CB 0.126 68.993 68.868 -0.002 0.000 1.043 155 T HN 0.543 nan 8.240 nan 0.000 0.424 156 D N 2.253 122.645 120.400 -0.013 0.000 2.347 156 D HA 0.190 4.859 4.640 0.048 0.000 0.235 156 D C 0.674 176.962 176.300 -0.019 0.000 1.149 156 D CA -0.588 53.401 54.000 -0.018 0.000 0.850 156 D CB 0.512 41.303 40.800 -0.015 0.000 1.061 156 D HN 0.450 nan 8.370 nan 0.000 0.487 157 I N 0.020 120.572 120.570 -0.029 0.000 3.904 157 I HA 0.225 4.424 4.170 0.048 0.000 0.333 157 I C 0.630 176.732 176.117 -0.026 0.000 1.361 157 I CA -0.416 60.868 61.300 -0.027 0.000 1.116 157 I CB 0.343 38.320 38.000 -0.037 0.000 1.028 157 I HN 0.003 nan 8.210 nan 0.000 0.398 158 D N 3.086 123.471 120.400 -0.025 0.000 2.221 158 D HA -0.100 4.569 4.640 0.048 0.000 0.204 158 D C -0.458 175.833 176.300 -0.016 0.000 0.982 158 D CA 1.320 55.308 54.000 -0.021 0.000 0.857 158 D CB -1.268 39.520 40.800 -0.019 0.000 0.934 158 D HN 0.377 nan 8.370 nan 0.000 0.475 159 P HA -0.042 nan 4.420 nan 0.000 0.228 159 P C 1.368 178.664 177.300 -0.007 0.000 1.151 159 P CA 0.562 63.656 63.100 -0.010 0.000 0.770 159 P CB -0.072 31.623 31.700 -0.009 0.000 0.786 160 L N -0.238 120.981 121.223 -0.007 0.000 2.478 160 L HA -0.042 4.326 4.340 0.048 0.000 0.223 160 L C 2.342 179.210 176.870 -0.004 0.000 1.140 160 L CA 0.828 55.666 54.840 -0.003 0.000 0.842 160 L CB -0.766 41.291 42.059 -0.004 0.000 0.953 160 L HN 0.145 nan 8.230 nan 0.000 0.452 161 K N -0.293 120.102 120.400 -0.008 0.000 2.147 161 K HA -0.151 4.198 4.320 0.048 0.000 0.205 161 K C 1.071 177.669 176.600 -0.004 0.000 1.049 161 K CA 1.513 57.795 56.287 -0.008 0.000 0.936 161 K CB -0.183 32.310 32.500 -0.012 0.000 0.722 161 K HN 0.214 nan 8.250 nan 0.000 0.446 162 N N 0.794 119.492 118.700 -0.002 0.000 2.270 162 N HA 0.114 4.883 4.740 0.048 0.000 0.198 162 N C -0.126 175.386 175.510 0.003 0.000 1.117 162 N CA 0.220 53.270 53.050 -0.000 0.000 0.845 162 N CB 0.418 38.904 38.487 -0.001 0.000 0.980 162 N HN 0.209 nan 8.380 nan 0.000 0.486 163 L N 1.535 122.761 121.223 0.005 0.000 2.727 163 L HA 0.128 4.497 4.340 0.048 0.000 0.237 163 L C 1.254 178.130 176.870 0.010 0.000 1.370 163 L CA 0.003 54.848 54.840 0.008 0.000 1.248 163 L CB -0.742 41.323 42.059 0.011 0.000 1.556 163 L HN 0.076 nan 8.230 nan 0.000 0.420 164 T N -4.915 109.645 114.554 0.009 0.000 3.148 164 T HA -0.014 4.365 4.350 0.048 0.000 0.253 164 T C 1.344 176.051 174.700 0.011 0.000 1.134 164 T CA 0.132 62.238 62.100 0.009 0.000 1.051 164 T CB -0.102 68.770 68.868 0.007 0.000 0.959 164 T HN 0.330 nan 8.240 nan 0.000 0.525 165 N N 1.079 119.786 118.700 0.012 0.000 2.467 165 N HA 0.164 4.933 4.740 0.048 0.000 0.184 165 N C 0.338 175.858 175.510 0.016 0.000 1.106 165 N CA 0.046 53.104 53.050 0.013 0.000 0.892 165 N CB -0.108 38.386 38.487 0.012 0.000 0.969 165 N HN 0.473 nan 8.380 nan 0.000 0.454 166 L N 2.371 123.606 121.223 0.019 0.000 2.559 166 L HA -0.069 4.300 4.340 0.048 0.000 0.274 166 L C 1.243 178.128 176.870 0.025 0.000 1.205 166 L CA 0.011 54.865 54.840 0.024 0.000 0.907 166 L CB 0.312 42.388 42.059 0.028 0.000 1.153 166 L HN 0.224 nan 8.230 nan 0.000 0.490 167 N N 2.324 121.040 118.700 0.026 0.000 2.227 167 N HA 0.046 4.815 4.740 0.048 0.000 0.196 167 N C 0.241 175.770 175.510 0.032 0.000 1.142 167 N CA -0.214 52.852 53.050 0.026 0.000 0.887 167 N CB 0.461 38.961 38.487 0.021 0.000 1.022 167 N HN 0.460 nan 8.380 nan 0.000 0.500 168 R N 0.258 120.781 120.500 0.038 0.000 2.502 168 R HA 0.512 4.881 4.340 0.048 0.000 0.300 168 R C -2.110 174.227 176.300 0.062 0.000 0.984 168 R CA -0.810 55.319 56.100 0.048 0.000 0.882 168 R CB 1.016 31.343 30.300 0.046 0.000 1.180 168 R HN 0.176 nan 8.270 nan 0.000 0.444 169 L N 3.080 124.349 121.223 0.077 0.000 2.476 169 L HA 0.481 4.850 4.340 0.048 0.000 0.269 169 L C -1.689 175.257 176.870 0.128 0.000 0.965 169 L CA -0.126 54.771 54.840 0.095 0.000 0.845 169 L CB 2.218 44.329 42.059 0.087 0.000 1.259 169 L HN 0.659 nan 8.230 nan 0.000 0.403 170 E N 5.810 126.107 120.200 0.162 0.000 2.220 170 E HA 0.475 4.854 4.350 0.048 0.000 0.256 170 E C -0.367 176.390 176.600 0.262 0.000 0.881 170 E CA -0.122 56.414 56.400 0.228 0.000 0.766 170 E CB 1.803 31.705 29.700 0.336 0.000 1.187 170 E HN 0.659 nan 8.360 nan 0.000 0.419 171 L N 1.523 122.889 121.223 0.239 0.000 3.229 171 L HA 0.257 4.625 4.340 0.048 0.000 0.286 171 L C -0.006 177.001 176.870 0.227 0.000 1.239 171 L CA -0.117 54.854 54.840 0.219 0.000 1.035 171 L CB 0.826 42.993 42.059 0.180 0.000 1.408 171 L HN 0.343 nan 8.230 nan 0.000 0.593 172 S N -0.200 115.631 115.700 0.218 0.000 2.576 172 S HA 0.096 4.595 4.470 0.048 0.000 0.272 172 S C 0.996 175.700 174.600 0.174 0.000 1.352 172 S CA -0.032 58.254 58.200 0.144 0.000 1.021 172 S CB 0.816 64.017 63.200 0.001 0.000 0.887 172 S HN 0.375 nan 8.310 nan 0.000 0.542 173 S N 1.485 117.256 115.700 0.119 0.000 3.711 173 S HA -0.125 4.374 4.470 0.048 0.000 0.374 173 S C 0.067 174.733 174.600 0.109 0.000 0.969 173 S CA 0.351 58.617 58.200 0.110 0.000 1.198 173 S CB -1.490 61.788 63.200 0.130 0.000 0.903 173 S HN 0.712 nan 8.310 nan 0.000 0.493 174 N N 0.344 119.102 118.700 0.097 0.000 3.427 174 N HA 0.549 5.318 4.740 0.048 0.000 0.364 174 N C 0.361 175.905 175.510 0.056 0.000 1.538 174 N CA 0.047 53.141 53.050 0.073 0.000 0.662 174 N CB 0.913 39.443 38.487 0.072 0.000 1.881 174 N HN 0.368 nan 8.380 nan 0.000 0.634 175 T N -1.141 113.437 114.554 0.040 0.000 3.483 175 T HA 0.502 4.881 4.350 0.048 0.000 0.258 175 T C 0.163 174.874 174.700 0.020 0.000 1.013 175 T CA -0.318 61.800 62.100 0.030 0.000 1.078 175 T CB -1.102 67.779 68.868 0.022 0.000 1.111 175 T HN 0.247 nan 8.240 nan 0.000 0.538 176 I N 2.475 123.058 120.570 0.022 0.000 2.416 176 I HA 0.265 4.464 4.170 0.048 0.000 0.288 176 I C 1.262 177.371 176.117 -0.014 0.000 1.051 176 I CA -0.342 60.954 61.300 -0.007 0.000 1.375 176 I CB 1.440 39.424 38.000 -0.026 0.000 1.407 176 I HN 0.517 nan 8.210 nan 0.000 0.516 177 S N 2.168 117.851 115.700 -0.029 0.000 2.589 177 S HA 0.150 4.649 4.470 0.048 0.000 0.235 177 S C 0.196 174.764 174.600 -0.052 0.000 1.051 177 S CA -0.402 57.783 58.200 -0.025 0.000 0.978 177 S CB 0.369 63.563 63.200 -0.010 0.000 0.929 177 S HN 0.657 nan 8.310 nan 0.000 0.523 178 D N 1.962 122.318 120.400 -0.072 0.000 2.471 178 D HA 0.350 5.019 4.640 0.048 0.000 0.245 178 D C 0.210 176.432 176.300 -0.130 0.000 1.116 178 D CA -0.485 53.465 54.000 -0.083 0.000 0.853 178 D CB 1.570 42.337 40.800 -0.055 0.000 1.123 178 D HN 0.445 nan 8.370 nan 0.000 0.540 179 I N 0.813 121.277 120.570 -0.175 0.000 3.884 179 I HA 0.159 4.357 4.170 0.048 0.000 0.330 179 I C 1.196 177.230 176.117 -0.138 0.000 1.451 179 I CA -0.478 60.684 61.300 -0.230 0.000 1.165 179 I CB 0.346 38.079 38.000 -0.444 0.000 1.097 179 I HN -0.025 nan 8.210 nan 0.000 0.404 180 S N 2.198 117.845 115.700 -0.089 0.000 2.392 180 S HA -0.246 4.253 4.470 0.048 0.000 0.232 180 S C 2.244 176.814 174.600 -0.051 0.000 1.041 180 S CA 1.843 60.008 58.200 -0.058 0.000 1.026 180 S CB -0.250 62.925 63.200 -0.042 0.000 0.845 180 S HN 0.768 nan 8.310 nan 0.000 0.465 181 A N 0.969 123.755 122.820 -0.057 0.000 2.125 181 A HA 0.083 4.432 4.320 0.048 0.000 0.219 181 A C 1.886 179.448 177.584 -0.038 0.000 1.156 181 A CA 0.798 52.810 52.037 -0.042 0.000 0.671 181 A CB -0.572 18.403 19.000 -0.041 0.000 0.794 181 A HN 0.507 nan 8.150 nan 0.000 0.459 182 L N 0.366 121.557 121.223 -0.053 0.000 2.478 182 L HA -0.093 4.276 4.340 0.048 0.000 0.223 182 L C 2.735 179.596 176.870 -0.015 0.000 1.140 182 L CA 1.041 55.860 54.840 -0.035 0.000 0.842 182 L CB -0.495 41.532 42.059 -0.054 0.000 0.953 182 L HN 0.591 nan 8.230 nan 0.000 0.452 183 S N 0.067 115.756 115.700 -0.019 0.000 2.419 183 S HA -0.125 4.374 4.470 0.048 0.000 0.233 183 S C 1.797 176.396 174.600 -0.001 0.000 1.016 183 S CA 1.132 59.328 58.200 -0.008 0.000 0.974 183 S CB -0.619 62.574 63.200 -0.011 0.000 0.786 183 S HN 0.436 nan 8.310 nan 0.000 0.492 184 G N 0.607 109.406 108.800 -0.002 0.000 3.189 184 G HA2 0.383 4.372 3.960 0.048 0.000 0.225 184 G HA3 0.383 4.372 3.960 0.048 0.000 0.225 184 G C 0.465 175.368 174.900 0.006 0.000 1.159 184 G CA -0.447 44.654 45.100 0.002 0.000 0.763 184 G HN 0.516 nan 8.290 nan 0.000 0.549 185 L N 2.777 124.005 121.223 0.008 0.000 2.533 185 L HA 0.131 4.500 4.340 0.048 0.000 0.239 185 L C 1.832 178.713 176.870 0.018 0.000 1.376 185 L CA -0.084 54.765 54.840 0.014 0.000 1.240 185 L CB -0.366 41.704 42.059 0.018 0.000 1.487 185 L HN 0.188 nan 8.230 nan 0.000 0.419 186 T N -5.454 109.108 114.554 0.014 0.000 3.160 186 T HA -0.013 4.366 4.350 0.048 0.000 0.257 186 T C 1.322 176.031 174.700 0.015 0.000 1.147 186 T CA 0.229 62.338 62.100 0.014 0.000 1.064 186 T CB 0.091 68.965 68.868 0.011 0.000 0.949 186 T HN 0.320 nan 8.240 nan 0.000 0.526 187 S N 0.452 116.162 115.700 0.016 0.000 2.554 187 S HA 0.394 4.893 4.470 0.048 0.000 0.226 187 S C 0.442 175.055 174.600 0.020 0.000 0.980 187 S CA -0.536 57.674 58.200 0.016 0.000 0.939 187 S CB -0.128 63.080 63.200 0.015 0.000 0.832 187 S HN 0.482 nan 8.310 nan 0.000 0.486 188 L N 2.265 123.503 121.223 0.025 0.000 2.513 188 L HA 0.096 4.465 4.340 0.048 0.000 0.272 188 L C 1.328 178.214 176.870 0.027 0.000 1.187 188 L CA 0.296 55.154 54.840 0.031 0.000 0.895 188 L CB 0.566 42.651 42.059 0.043 0.000 1.147 188 L HN 0.280 nan 8.230 nan 0.000 0.483 189 Q N 2.027 121.841 119.800 0.025 0.000 2.396 189 Q HA 0.135 4.504 4.340 0.048 0.000 0.220 189 Q C -0.259 175.752 176.000 0.018 0.000 0.900 189 Q CA 0.432 56.246 55.803 0.019 0.000 0.925 189 Q CB 0.728 29.474 28.738 0.014 0.000 1.065 189 Q HN 0.625 nan 8.270 nan 0.000 0.535 190 Q N 0.728 120.543 119.800 0.025 0.000 2.304 190 Q HA 0.562 4.931 4.340 0.048 0.000 0.270 190 Q C -1.892 174.131 176.000 0.038 0.000 1.035 190 Q CA -0.524 55.292 55.803 0.021 0.000 0.781 190 Q CB 2.602 31.351 28.738 0.018 0.000 1.261 190 Q HN -0.022 nan 8.270 nan 0.000 0.444 191 L N 2.726 123.969 121.223 0.032 0.000 2.464 191 L HA 0.633 5.002 4.340 0.048 0.000 0.266 191 L C -2.042 174.841 176.870 0.021 0.000 0.965 191 L CA -0.229 54.655 54.840 0.073 0.000 0.833 191 L CB 2.131 44.267 42.059 0.127 0.000 1.296 191 L HN 0.566 nan 8.230 nan 0.000 0.405 192 N N 4.087 122.819 118.700 0.053 0.000 2.430 192 N HA 0.483 5.252 4.740 0.048 0.000 0.290 192 N C -1.144 174.418 175.510 0.088 0.000 1.063 192 N CA -0.459 52.562 53.050 -0.048 0.000 0.883 192 N CB 1.138 39.583 38.487 -0.071 0.000 1.465 192 N HN 0.516 nan 8.380 nan 0.000 0.493 193 F N 1.014 120.963 119.950 -0.002 0.000 2.790 193 F HA 0.436 4.986 4.527 0.037 0.000 0.371 193 F C 0.398 176.198 175.800 -0.001 0.000 1.293 193 F CA -0.991 57.015 58.000 0.010 0.000 1.205 193 F CB -0.645 38.365 39.000 0.017 0.000 1.047 193 F HN 0.182 nan 8.300 nan 0.000 0.510 194 S N -0.335 115.319 115.700 -0.078 0.000 2.576 194 S HA 0.253 4.752 4.470 0.048 0.000 0.272 194 S C 0.800 175.413 174.600 0.021 0.000 1.352 194 S CA 0.162 58.316 58.200 -0.076 0.000 1.021 194 S CB 0.965 64.096 63.200 -0.115 0.000 0.887 194 S HN 1.093 nan 8.310 nan 0.000 0.542 195 S N 1.477 117.191 115.700 0.023 0.000 3.711 195 S HA -0.140 4.359 4.470 0.048 0.000 0.374 195 S C -0.153 174.494 174.600 0.078 0.000 0.969 195 S CA 0.592 58.817 58.200 0.042 0.000 1.198 195 S CB -2.025 61.192 63.200 0.030 0.000 0.903 195 S HN 0.863 nan 8.310 nan 0.000 0.493 196 N N 0.259 119.021 118.700 0.105 0.000 3.379 196 N HA 0.396 5.165 4.740 0.048 0.000 0.350 196 N C -0.234 175.330 175.510 0.089 0.000 1.553 196 N CA -0.644 52.473 53.050 0.111 0.000 0.712 196 N CB 0.477 39.060 38.487 0.160 0.000 1.880 196 N HN 0.256 nan 8.380 nan 0.000 0.648 197 Q N 0.951 120.794 119.800 0.072 0.000 2.182 197 Q HA 0.318 4.687 4.340 0.048 0.000 0.270 197 Q C -0.725 175.305 176.000 0.049 0.000 0.861 197 Q CA -0.177 55.656 55.803 0.049 0.000 1.098 197 Q CB 0.638 29.392 28.738 0.028 0.000 1.188 197 Q HN 0.256 nan 8.270 nan 0.000 0.464 198 V N 1.562 121.528 119.914 0.086 0.000 2.498 198 V HA 0.199 4.348 4.120 0.048 0.000 0.279 198 V C 1.372 177.515 176.094 0.082 0.000 1.048 198 V CA 0.489 62.835 62.300 0.076 0.000 0.967 198 V CB 1.409 33.309 31.823 0.128 0.000 0.988 198 V HN 0.406 nan 8.190 nan 0.000 0.473 199 T N -0.825 113.758 114.554 0.048 0.000 2.987 199 T HA 0.108 4.487 4.350 0.048 0.000 0.248 199 T C 0.437 175.164 174.700 0.045 0.000 0.997 199 T CA 0.061 62.190 62.100 0.048 0.000 1.013 199 T CB 0.203 69.089 68.868 0.030 0.000 1.077 199 T HN 0.511 nan 8.240 nan 0.000 0.483 200 D N 1.355 121.771 120.400 0.026 0.000 2.380 200 D HA 0.302 4.971 4.640 0.048 0.000 0.230 200 D C 0.747 177.061 176.300 0.022 0.000 1.154 200 D CA -0.636 53.375 54.000 0.017 0.000 0.859 200 D CB 0.594 41.394 40.800 -0.000 0.000 1.045 200 D HN 0.291 nan 8.370 nan 0.000 0.495 201 L N 3.370 124.622 121.223 0.048 0.000 2.592 201 L HA 0.115 4.484 4.340 0.048 0.000 0.227 201 L C 2.094 178.990 176.870 0.043 0.000 1.127 201 L CA -0.035 54.847 54.840 0.071 0.000 0.884 201 L CB -0.014 42.108 42.059 0.105 0.000 1.065 201 L HN 0.302 nan 8.230 nan 0.000 0.457 202 K N 0.793 121.206 120.400 0.022 0.000 2.160 202 K HA -0.178 4.171 4.320 0.048 0.000 0.206 202 K C -0.569 176.036 176.600 0.010 0.000 1.047 202 K CA 1.371 57.666 56.287 0.014 0.000 0.930 202 K CB -0.960 31.544 32.500 0.007 0.000 0.720 202 K HN 0.284 nan 8.250 nan 0.000 0.450 203 P HA -0.128 nan 4.420 nan 0.000 0.226 203 P C 0.693 177.998 177.300 0.007 0.000 1.146 203 P CA 0.980 64.074 63.100 -0.009 0.000 0.773 203 P CB 0.026 31.703 31.700 -0.039 0.000 0.772 204 L N -1.763 119.478 121.223 0.031 0.000 2.478 204 L HA 0.016 4.385 4.340 0.048 0.000 0.223 204 L C 2.299 179.190 176.870 0.036 0.000 1.140 204 L CA 0.543 55.413 54.840 0.051 0.000 0.842 204 L CB -0.920 41.192 42.059 0.088 0.000 0.953 204 L HN -0.020 nan 8.230 nan 0.000 0.452 205 A N 0.498 123.332 122.820 0.025 0.000 1.948 205 A HA -0.234 4.115 4.320 0.048 0.000 0.220 205 A C 1.984 179.579 177.584 0.017 0.000 1.177 205 A CA 1.853 53.901 52.037 0.019 0.000 0.636 205 A CB -0.418 18.590 19.000 0.014 0.000 0.815 205 A HN 0.407 nan 8.150 nan 0.000 0.449 206 N N -0.228 118.481 118.700 0.015 0.000 2.268 206 N HA 0.156 4.925 4.740 0.048 0.000 0.204 206 N C -0.036 175.483 175.510 0.016 0.000 1.124 206 N CA 0.097 53.155 53.050 0.013 0.000 0.838 206 N CB 0.069 38.562 38.487 0.010 0.000 0.994 206 N HN 0.446 nan 8.380 nan 0.000 0.489 207 L N 1.430 122.666 121.223 0.022 0.000 2.934 207 L HA 0.155 4.524 4.340 0.048 0.000 0.233 207 L C 1.464 178.347 176.870 0.023 0.000 1.358 207 L CA -0.078 54.778 54.840 0.025 0.000 1.233 207 L CB -0.393 41.688 42.059 0.037 0.000 1.594 207 L HN 0.013 nan 8.230 nan 0.000 0.439 208 T N -5.069 109.495 114.554 0.017 0.000 3.072 208 T HA -0.128 4.251 4.350 0.048 0.000 0.266 208 T C 1.767 176.475 174.700 0.013 0.000 1.127 208 T CA 1.133 63.241 62.100 0.014 0.000 1.107 208 T CB -0.398 68.477 68.868 0.011 0.000 0.910 208 T HN 0.532 nan 8.240 nan 0.000 0.513 209 T N 0.231 114.793 114.554 0.014 0.000 3.118 209 T HA 0.271 4.650 4.350 0.048 0.000 0.260 209 T C 0.791 175.499 174.700 0.014 0.000 1.139 209 T CA -0.348 61.760 62.100 0.013 0.000 1.085 209 T CB -0.780 68.096 68.868 0.013 0.000 0.934 209 T HN 0.380 nan 8.240 nan 0.000 0.518 210 L N 2.052 123.285 121.223 0.018 0.000 2.640 210 L HA 0.024 4.393 4.340 0.048 0.000 0.280 210 L C 1.299 178.174 176.870 0.009 0.000 1.229 210 L CA 0.529 55.380 54.840 0.018 0.000 0.919 210 L CB 0.290 42.364 42.059 0.024 0.000 1.168 210 L HN 0.347 nan 8.230 nan 0.000 0.496 211 E N 2.937 123.139 120.200 0.005 0.000 2.434 211 E HA 0.177 4.555 4.350 0.048 0.000 0.207 211 E C -0.156 176.438 176.600 -0.009 0.000 0.929 211 E CA 0.042 56.441 56.400 -0.002 0.000 1.001 211 E CB 0.703 30.402 29.700 -0.001 0.000 1.016 211 E HN 0.515 nan 8.360 nan 0.000 0.502 212 R N 1.061 121.555 120.500 -0.011 0.000 2.515 212 R HA 0.460 4.829 4.340 0.048 0.000 0.291 212 R C -1.728 174.553 176.300 -0.032 0.000 1.046 212 R CA -0.619 55.466 56.100 -0.025 0.000 0.914 212 R CB 2.072 32.357 30.300 -0.025 0.000 1.191 212 R HN -0.095 nan 8.270 nan 0.000 0.435 213 L N 1.943 123.133 121.223 -0.054 0.000 2.408 213 L HA 0.561 4.930 4.340 0.048 0.000 0.268 213 L C -1.562 175.222 176.870 -0.144 0.000 0.986 213 L CA -0.349 54.438 54.840 -0.087 0.000 0.820 213 L CB 2.094 44.113 42.059 -0.067 0.000 1.303 213 L HN 0.520 nan 8.230 nan 0.000 0.411 214 D N 4.426 124.691 120.400 -0.226 0.000 2.620 214 D HA 0.364 5.032 4.640 0.048 0.000 0.252 214 D C -0.061 175.949 176.300 -0.483 0.000 1.207 214 D CA -0.223 53.619 54.000 -0.263 0.000 0.884 214 D CB 1.217 41.897 40.800 -0.200 0.000 1.262 214 D HN 0.611 nan 8.370 nan 0.000 0.552 215 I N 0.281 120.581 120.570 -0.449 0.000 3.833 215 I HA 0.364 4.563 4.170 0.048 0.000 0.328 215 I C -0.079 175.885 176.117 -0.256 0.000 1.554 215 I CA -0.587 60.366 61.300 -0.579 0.000 1.116 215 I CB 0.549 38.265 38.000 -0.472 0.000 1.182 215 I HN -0.045 nan 8.210 nan 0.000 0.459 216 S N 1.058 116.645 115.700 -0.190 0.000 2.568 216 S HA 0.113 4.612 4.470 0.048 0.000 0.282 216 S C 0.962 175.522 174.600 -0.066 0.000 1.338 216 S CA 0.316 58.453 58.200 -0.106 0.000 1.045 216 S CB 0.575 63.715 63.200 -0.099 0.000 0.873 216 S HN 0.613 nan 8.310 nan 0.000 0.516 217 S N 1.719 117.399 115.700 -0.034 0.000 3.797 217 S HA -0.126 4.373 4.470 0.048 0.000 0.374 217 S C 0.178 174.789 174.600 0.017 0.000 0.970 217 S CA 0.353 58.548 58.200 -0.008 0.000 1.177 217 S CB -1.404 61.790 63.200 -0.010 0.000 0.891 217 S HN 0.733 nan 8.310 nan 0.000 0.491 218 N N 0.611 119.326 118.700 0.026 0.000 3.357 218 N HA 0.388 5.157 4.740 0.048 0.000 0.359 218 N C 0.316 175.854 175.510 0.046 0.000 1.477 218 N CA -0.724 52.364 53.050 0.064 0.000 0.645 218 N CB 0.476 39.038 38.487 0.125 0.000 1.703 218 N HN 0.070 nan 8.380 nan 0.000 0.597 219 K N 0.986 121.420 120.400 0.055 0.000 2.618 219 K HA 0.293 4.642 4.320 0.048 0.000 0.207 219 K C -0.613 176.008 176.600 0.036 0.000 1.058 219 K CA -0.076 56.233 56.287 0.038 0.000 1.086 219 K CB 0.786 33.307 32.500 0.035 0.000 0.827 219 K HN 0.172 nan 8.250 nan 0.000 0.481 220 V N 2.495 122.433 119.914 0.040 0.000 2.508 220 V HA -0.022 4.127 4.120 0.048 0.000 0.281 220 V C 1.434 177.541 176.094 0.022 0.000 1.041 220 V CA 0.362 62.686 62.300 0.039 0.000 1.016 220 V CB 1.181 33.031 31.823 0.046 0.000 0.984 220 V HN 0.380 nan 8.190 nan 0.000 0.478 221 S N 2.098 117.810 115.700 0.020 0.000 2.599 221 S HA 0.116 4.615 4.470 0.048 0.000 0.236 221 S C 0.510 175.117 174.600 0.012 0.000 1.077 221 S CA -0.098 58.109 58.200 0.012 0.000 0.906 221 S CB 0.237 63.443 63.200 0.010 0.000 0.804 221 S HN 0.676 nan 8.310 nan 0.000 0.497 222 D N 2.109 122.519 120.400 0.017 0.000 2.412 222 D HA 0.348 5.016 4.640 0.048 0.000 0.224 222 D C 0.445 176.757 176.300 0.020 0.000 1.093 222 D CA -0.732 53.277 54.000 0.015 0.000 0.850 222 D CB 0.793 41.602 40.800 0.015 0.000 1.046 222 D HN 0.524 nan 8.370 nan 0.000 0.507 223 I N 1.012 121.591 120.570 0.014 0.000 3.889 223 I HA 0.148 4.347 4.170 0.048 0.000 0.332 223 I C 1.477 177.602 176.117 0.014 0.000 1.493 223 I CA -0.425 60.885 61.300 0.016 0.000 1.158 223 I CB 0.073 38.077 38.000 0.007 0.000 1.117 223 I HN 0.153 nan 8.210 nan 0.000 0.411 224 S N 0.757 116.465 115.700 0.013 0.000 2.402 224 S HA -0.218 4.281 4.470 0.048 0.000 0.233 224 S C 1.897 176.505 174.600 0.013 0.000 1.030 224 S CA 1.441 59.648 58.200 0.011 0.000 1.003 224 S CB -0.945 62.261 63.200 0.009 0.000 0.813 224 S HN 0.465 nan 8.310 nan 0.000 0.477 225 V N 2.004 121.930 119.914 0.019 0.000 2.594 225 V HA -0.036 4.113 4.120 0.048 0.000 0.253 225 V C 2.127 178.234 176.094 0.021 0.000 1.069 225 V CA 1.499 63.812 62.300 0.021 0.000 1.082 225 V CB -0.702 31.139 31.823 0.029 0.000 0.680 225 V HN 0.633 nan 8.190 nan 0.000 0.469 226 L N 0.252 121.487 121.223 0.020 0.000 2.265 226 L HA -0.104 4.265 4.340 0.048 0.000 0.215 226 L C 2.734 179.610 176.870 0.009 0.000 1.117 226 L CA 1.271 56.120 54.840 0.015 0.000 0.782 226 L CB -1.008 41.056 42.059 0.009 0.000 0.914 226 L HN 0.437 nan 8.230 nan 0.000 0.441 227 A N 0.410 123.235 122.820 0.008 0.000 2.076 227 A HA -0.217 4.132 4.320 0.048 0.000 0.220 227 A C 2.277 179.865 177.584 0.006 0.000 1.160 227 A CA 1.564 53.604 52.037 0.005 0.000 0.653 227 A CB -0.330 18.673 19.000 0.005 0.000 0.801 227 A HN 0.383 nan 8.150 nan 0.000 0.455 228 K N -0.722 119.684 120.400 0.009 0.000 2.365 228 K HA 0.168 4.517 4.320 0.048 0.000 0.197 228 K C -0.015 176.591 176.600 0.010 0.000 1.042 228 K CA 0.313 56.606 56.287 0.010 0.000 0.987 228 K CB -0.036 32.471 32.500 0.012 0.000 0.779 228 K HN 0.444 nan 8.250 nan 0.000 0.484 229 L N 2.215 123.444 121.223 0.010 0.000 2.719 229 L HA 0.109 4.478 4.340 0.048 0.000 0.236 229 L C 1.125 177.998 176.870 0.005 0.000 1.285 229 L CA -0.299 54.547 54.840 0.010 0.000 1.222 229 L CB -0.118 41.949 42.059 0.013 0.000 1.493 229 L HN 0.159 nan 8.230 nan 0.000 0.415 230 T N -4.251 110.305 114.554 0.004 0.000 3.051 230 T HA -0.090 4.289 4.350 0.048 0.000 0.269 230 T C 1.373 176.073 174.700 0.001 0.000 1.127 230 T CA 0.688 62.789 62.100 0.002 0.000 1.107 230 T CB -0.151 68.718 68.868 0.002 0.000 0.898 230 T HN 0.357 nan 8.240 nan 0.000 0.517 231 N N 0.898 119.599 118.700 0.002 0.000 2.461 231 N HA 0.192 4.961 4.740 0.048 0.000 0.188 231 N C 0.278 175.787 175.510 -0.001 0.000 1.134 231 N CA 0.010 53.061 53.050 0.001 0.000 0.878 231 N CB -0.189 38.300 38.487 0.003 0.000 0.972 231 N HN 0.472 nan 8.380 nan 0.000 0.456 232 L N 1.508 122.729 121.223 -0.002 0.000 2.559 232 L HA -0.044 4.325 4.340 0.048 0.000 0.274 232 L C 1.281 178.145 176.870 -0.010 0.000 1.205 232 L CA 0.429 55.265 54.840 -0.007 0.000 0.907 232 L CB 0.532 42.586 42.059 -0.009 0.000 1.153 232 L HN 0.106 nan 8.230 nan 0.000 0.490 233 E N 0.949 121.142 120.200 -0.012 0.000 2.340 233 E HA 0.045 4.424 4.350 0.048 0.000 0.198 233 E C 0.187 176.775 176.600 -0.020 0.000 0.961 233 E CA 0.072 56.464 56.400 -0.014 0.000 0.905 233 E CB 0.828 30.520 29.700 -0.012 0.000 0.884 233 E HN 0.470 nan 8.360 nan 0.000 0.491 234 S N 0.815 116.500 115.700 -0.025 0.000 2.619 234 S HA 0.485 4.984 4.470 0.048 0.000 0.280 234 S C -1.813 172.763 174.600 -0.042 0.000 1.150 234 S CA -0.782 57.398 58.200 -0.033 0.000 0.978 234 S CB 1.082 64.260 63.200 -0.037 0.000 1.041 234 S HN 0.102 nan 8.310 nan 0.000 0.485 235 L N 6.470 127.666 121.223 -0.045 0.000 2.372 235 L HA 0.698 5.067 4.340 0.048 0.000 0.274 235 L C -1.697 175.134 176.870 -0.066 0.000 0.988 235 L CA -0.484 54.322 54.840 -0.056 0.000 0.833 235 L CB 1.355 43.387 42.059 -0.044 0.000 1.236 235 L HN 0.592 nan 8.230 nan 0.000 0.410 236 I N 5.409 125.926 120.570 -0.088 0.000 2.362 236 I HA 0.616 4.815 4.170 0.048 0.000 0.289 236 I C 0.417 176.468 176.117 -0.109 0.000 0.994 236 I CA -0.411 60.834 61.300 -0.092 0.000 1.158 236 I CB 1.167 39.107 38.000 -0.100 0.000 1.315 236 I HN 0.801 nan 8.210 nan 0.000 0.451 237 A N 4.068 126.836 122.820 -0.085 0.000 2.843 237 A HA 0.346 4.694 4.320 0.048 0.000 0.248 237 A C 0.525 178.073 177.584 -0.060 0.000 0.904 237 A CA -0.415 51.572 52.037 -0.082 0.000 1.091 237 A CB -0.086 18.873 19.000 -0.068 0.000 1.208 237 A HN 0.701 nan 8.150 nan 0.000 0.476 238 T N -1.810 112.708 114.554 -0.059 0.000 2.898 238 T HA 0.376 4.755 4.350 0.048 0.000 0.301 238 T C 0.475 175.153 174.700 -0.037 0.000 1.049 238 T CA 0.477 62.551 62.100 -0.044 0.000 1.095 238 T CB 0.447 69.288 68.868 -0.045 0.000 0.976 238 T HN 1.076 nan 8.240 nan 0.000 0.539 239 N N 1.930 120.615 118.700 -0.025 0.000 2.726 239 N HA -0.169 4.600 4.740 0.048 0.000 0.253 239 N C -0.844 174.658 175.510 -0.013 0.000 1.059 239 N CA 0.628 53.668 53.050 -0.017 0.000 0.701 239 N CB -1.483 36.994 38.487 -0.017 0.000 0.899 239 N HN 0.792 nan 8.380 nan 0.000 0.548 240 N N -0.162 118.531 118.700 -0.012 0.000 3.513 240 N HA 0.369 5.138 4.740 0.048 0.000 0.351 240 N C -0.423 175.086 175.510 -0.002 0.000 1.624 240 N CA -0.362 52.685 53.050 -0.004 0.000 0.712 240 N CB 0.382 38.864 38.487 -0.007 0.000 2.106 240 N HN 0.227 nan 8.380 nan 0.000 0.649 241 Q N 0.795 120.595 119.800 0.001 0.000 2.129 241 Q HA 0.423 4.792 4.340 0.048 0.000 0.274 241 Q C -0.598 175.402 176.000 0.000 0.000 0.854 241 Q CA -0.081 55.723 55.803 0.001 0.000 1.123 241 Q CB 0.872 29.613 28.738 0.006 0.000 1.226 241 Q HN 0.475 nan 8.270 nan 0.000 0.454 242 I N 1.563 122.131 120.570 -0.003 0.000 2.352 242 I HA 0.027 4.226 4.170 0.048 0.000 0.290 242 I C 1.239 177.353 176.117 -0.005 0.000 1.036 242 I CA 0.175 61.473 61.300 -0.003 0.000 1.336 242 I CB 1.238 39.234 38.000 -0.007 0.000 1.407 242 I HN 0.095 nan 8.210 nan 0.000 0.497 243 S N 2.040 117.738 115.700 -0.003 0.000 2.554 243 S HA 0.105 4.604 4.470 0.048 0.000 0.227 243 S C 0.208 174.806 174.600 -0.004 0.000 1.050 243 S CA -0.352 57.846 58.200 -0.004 0.000 0.927 243 S CB 0.197 63.395 63.200 -0.003 0.000 0.859 243 S HN 0.644 nan 8.310 nan 0.000 0.494 244 D N 1.856 122.254 120.400 -0.003 0.000 2.414 244 D HA 0.418 5.087 4.640 0.048 0.000 0.232 244 D C 0.484 176.782 176.300 -0.003 0.000 1.070 244 D CA -0.777 53.222 54.000 -0.002 0.000 0.839 244 D CB 1.091 41.890 40.800 -0.001 0.000 1.079 244 D HN 0.432 nan 8.370 nan 0.000 0.521 245 I N 0.850 121.417 120.570 -0.004 0.000 3.976 245 I HA 0.169 4.368 4.170 0.048 0.000 0.337 245 I C 1.601 177.715 176.117 -0.004 0.000 1.359 245 I CA -0.228 61.069 61.300 -0.005 0.000 1.098 245 I CB 0.017 38.013 38.000 -0.008 0.000 1.027 245 I HN 0.275 nan 8.210 nan 0.000 0.394 246 T N -0.045 114.507 114.554 -0.003 0.000 2.685 246 T HA -0.094 4.284 4.350 0.048 0.000 0.268 246 T C -0.246 174.453 174.700 -0.002 0.000 1.034 246 T CA 1.651 63.749 62.100 -0.002 0.000 1.149 246 T CB -2.206 66.661 68.868 -0.002 0.000 0.860 246 T HN 0.295 nan 8.240 nan 0.000 0.449 247 P HA 0.065 nan 4.420 nan 0.000 0.221 247 P C 1.342 178.641 177.300 -0.001 0.000 1.145 247 P CA 0.728 63.828 63.100 0.001 0.000 0.795 247 P CB -0.354 31.348 31.700 0.003 0.000 0.775 248 L N -2.088 119.133 121.223 -0.003 0.000 2.465 248 L HA 0.030 4.399 4.340 0.048 0.000 0.224 248 L C 2.450 179.318 176.870 -0.005 0.000 1.145 248 L CA 0.847 55.683 54.840 -0.005 0.000 0.834 248 L CB -1.264 40.790 42.059 -0.008 0.000 0.944 248 L HN 0.069 nan 8.230 nan 0.000 0.451 249 G N 1.913 110.711 108.800 -0.004 0.000 2.442 249 G HA2 -0.253 3.736 3.960 0.048 0.000 0.219 249 G HA3 -0.253 3.736 3.960 0.048 0.000 0.219 249 G C 1.438 176.336 174.900 -0.003 0.000 1.141 249 G CA 0.989 46.087 45.100 -0.004 0.000 0.763 249 G HN 0.616 nan 8.290 nan 0.000 0.554 250 I N -1.883 118.686 120.570 -0.002 0.000 3.812 250 I HA 0.391 4.589 4.170 0.048 0.000 0.320 250 I C 0.479 176.594 176.117 -0.002 0.000 1.276 250 I CA -0.128 61.171 61.300 -0.002 0.000 1.164 250 I CB 0.118 38.117 38.000 -0.001 0.000 1.009 250 I HN -0.120 nan 8.210 nan 0.000 0.431 251 L N 3.042 124.263 121.223 -0.004 0.000 2.480 251 L HA 0.171 4.540 4.340 0.048 0.000 0.243 251 L C 1.449 178.315 176.870 -0.006 0.000 1.315 251 L CA -0.150 54.687 54.840 -0.005 0.000 1.231 251 L CB -0.239 41.817 42.059 -0.006 0.000 1.444 251 L HN 0.377 nan 8.230 nan 0.000 0.409 252 T N -4.290 110.261 114.554 -0.005 0.000 3.113 252 T HA -0.039 4.340 4.350 0.048 0.000 0.256 252 T C 1.165 175.862 174.700 -0.006 0.000 1.131 252 T CA 0.396 62.493 62.100 -0.005 0.000 1.074 252 T CB -0.269 68.597 68.868 -0.004 0.000 0.944 252 T HN 0.441 nan 8.240 nan 0.000 0.516 253 N N 0.534 119.230 118.700 -0.006 0.000 2.398 253 N HA 0.258 5.027 4.740 0.048 0.000 0.188 253 N C -0.171 175.333 175.510 -0.009 0.000 1.122 253 N CA -0.150 52.896 53.050 -0.006 0.000 0.866 253 N CB -0.136 38.348 38.487 -0.005 0.000 0.970 253 N HN 0.381 nan 8.380 nan 0.000 0.462 254 L N 1.633 122.850 121.223 -0.010 0.000 2.477 254 L HA -0.017 4.352 4.340 0.048 0.000 0.272 254 L C 0.629 177.490 176.870 -0.014 0.000 1.157 254 L CA 0.030 54.862 54.840 -0.013 0.000 0.889 254 L CB 0.542 42.593 42.059 -0.015 0.000 1.158 254 L HN 0.305 nan 8.230 nan 0.000 0.473 255 D N 0.777 121.168 120.400 -0.015 0.000 2.392 255 D HA -0.002 4.667 4.640 0.048 0.000 0.206 255 D C 0.397 176.686 176.300 -0.019 0.000 1.046 255 D CA -0.076 53.915 54.000 -0.016 0.000 0.865 255 D CB 0.466 41.257 40.800 -0.015 0.000 0.969 255 D HN 0.465 nan 8.370 nan 0.000 0.509 256 E N -0.134 120.053 120.200 -0.023 0.000 2.256 256 E HA 0.516 4.895 4.350 0.048 0.000 0.268 256 E C -1.994 174.587 176.600 -0.031 0.000 0.877 256 E CA -1.110 55.273 56.400 -0.028 0.000 0.757 256 E CB 1.665 31.345 29.700 -0.033 0.000 1.183 256 E HN 0.068 nan 8.360 nan 0.000 0.418 257 L N 3.283 124.487 121.223 -0.031 0.000 2.505 257 L HA 0.505 4.874 4.340 0.048 0.000 0.266 257 L C -1.779 175.070 176.870 -0.035 0.000 0.954 257 L CA -0.191 54.630 54.840 -0.032 0.000 0.852 257 L CB 2.163 44.206 42.059 -0.026 0.000 1.282 257 L HN 0.396 nan 8.230 nan 0.000 0.403 258 S N 5.315 120.990 115.700 -0.041 0.000 2.659 258 S HA 0.678 5.177 4.470 0.048 0.000 0.312 258 S C -0.376 174.200 174.600 -0.040 0.000 1.114 258 S CA -0.445 57.731 58.200 -0.041 0.000 1.063 258 S CB 0.696 63.868 63.200 -0.047 0.000 0.996 258 S HN 0.716 nan 8.310 nan 0.000 0.478 259 L N 4.040 125.244 121.223 -0.032 0.000 3.289 259 L HA 0.380 4.749 4.340 0.048 0.000 0.291 259 L C 0.587 177.441 176.870 -0.025 0.000 1.279 259 L CA -0.413 54.409 54.840 -0.029 0.000 1.025 259 L CB 0.252 42.296 42.059 -0.024 0.000 1.413 259 L HN 0.580 nan 8.230 nan 0.000 0.593 260 N N 2.136 120.819 118.700 -0.027 0.000 2.411 260 N HA 0.019 4.788 4.740 0.048 0.000 0.261 260 N C 0.845 176.342 175.510 -0.021 0.000 1.248 260 N CA 1.614 54.651 53.050 -0.023 0.000 0.885 260 N CB 0.964 39.436 38.487 -0.025 0.000 1.062 260 N HN 0.417 nan 8.380 nan 0.000 0.471 261 G N 2.392 111.182 108.800 -0.017 0.000 2.401 261 G HA2 -0.204 3.785 3.960 0.048 0.000 0.283 261 G HA3 -0.204 3.785 3.960 0.048 0.000 0.283 261 G C -0.252 174.639 174.900 -0.015 0.000 1.117 261 G CA -0.218 44.873 45.100 -0.015 0.000 1.051 261 G HN 0.743 nan 8.290 nan 0.000 0.510 262 N N -1.186 117.506 118.700 -0.014 0.000 3.512 262 N HA 0.453 5.222 4.740 0.048 0.000 0.360 262 N C -0.017 175.486 175.510 -0.011 0.000 1.593 262 N CA -0.625 52.417 53.050 -0.012 0.000 0.672 262 N CB 0.650 39.129 38.487 -0.014 0.000 2.105 262 N HN 0.090 nan 8.380 nan 0.000 0.645 263 Q N 1.224 121.018 119.800 -0.009 0.000 2.182 263 Q HA 0.421 4.790 4.340 0.048 0.000 0.305 263 Q C -0.551 175.444 176.000 -0.009 0.000 0.880 263 Q CA -0.164 55.634 55.803 -0.009 0.000 1.131 263 Q CB 0.321 29.055 28.738 -0.006 0.000 1.237 263 Q HN 0.422 nan 8.270 nan 0.000 0.447 264 L N 0.333 121.550 121.223 -0.010 0.000 2.397 264 L HA 0.225 4.593 4.340 0.048 0.000 0.271 264 L C 1.277 178.142 176.870 -0.010 0.000 1.148 264 L CA 0.336 55.170 54.840 -0.010 0.000 0.825 264 L CB 0.810 42.862 42.059 -0.012 0.000 1.117 264 L HN 0.154 nan 8.230 nan 0.000 0.456 265 K N 0.787 121.181 120.400 -0.009 0.000 2.763 265 K HA 0.035 4.384 4.320 0.048 0.000 0.207 265 K C -0.026 176.570 176.600 -0.008 0.000 1.532 265 K CA -0.395 55.886 56.287 -0.008 0.000 1.059 265 K CB 0.440 32.935 32.500 -0.007 0.000 1.854 265 K HN 0.574 nan 8.250 nan 0.000 0.497 266 D N 2.223 122.619 120.400 -0.007 0.000 2.338 266 D HA 0.064 4.733 4.640 0.048 0.000 0.255 266 D C 0.416 176.711 176.300 -0.007 0.000 1.237 266 D CA -0.188 53.808 54.000 -0.006 0.000 0.883 266 D CB 0.635 41.432 40.800 -0.005 0.000 1.087 266 D HN 0.404 nan 8.370 nan 0.000 0.485 267 I N 0.947 121.513 120.570 -0.007 0.000 3.816 267 I HA 0.437 4.636 4.170 0.048 0.000 0.334 267 I C 1.463 177.575 176.117 -0.007 0.000 1.551 267 I CA -0.817 60.478 61.300 -0.008 0.000 1.153 267 I CB 0.645 38.639 38.000 -0.010 0.000 1.197 267 I HN 0.325 nan 8.210 nan 0.000 0.439 268 G N 1.568 110.364 108.800 -0.006 0.000 2.442 268 G HA2 -0.224 3.765 3.960 0.048 0.000 0.219 268 G HA3 -0.224 3.765 3.960 0.048 0.000 0.219 268 G C 1.372 176.269 174.900 -0.006 0.000 1.141 268 G CA 1.639 46.736 45.100 -0.006 0.000 0.763 268 G HN 0.425 nan 8.290 nan 0.000 0.554 269 T N 1.543 116.093 114.554 -0.006 0.000 2.803 269 T HA -0.058 4.321 4.350 0.048 0.000 0.269 269 T C 2.321 177.017 174.700 -0.006 0.000 1.052 269 T CA 0.783 62.879 62.100 -0.006 0.000 1.136 269 T CB -0.181 68.684 68.868 -0.005 0.000 0.864 269 T HN 0.215 nan 8.240 nan 0.000 0.467 270 L N 0.785 122.003 121.223 -0.007 0.000 2.265 270 L HA -0.059 4.310 4.340 0.048 0.000 0.215 270 L C 2.980 179.846 176.870 -0.007 0.000 1.117 270 L CA 0.791 55.626 54.840 -0.008 0.000 0.782 270 L CB -0.778 41.276 42.059 -0.009 0.000 0.914 270 L HN 0.246 nan 8.230 nan 0.000 0.441 271 A N 0.443 123.260 122.820 -0.007 0.000 2.024 271 A HA -0.208 4.141 4.320 0.048 0.000 0.220 271 A C 2.476 180.057 177.584 -0.006 0.000 1.164 271 A CA 1.918 53.951 52.037 -0.006 0.000 0.643 271 A CB -0.495 18.502 19.000 -0.005 0.000 0.806 271 A HN 0.543 nan 8.150 nan 0.000 0.451 272 S N -0.708 114.989 115.700 -0.005 0.000 2.562 272 S HA 0.188 4.687 4.470 0.048 0.000 0.221 272 S C 0.726 175.323 174.600 -0.006 0.000 0.975 272 S CA 0.071 58.268 58.200 -0.005 0.000 0.918 272 S CB -0.405 62.792 63.200 -0.004 0.000 0.772 272 S HN 0.390 nan 8.310 nan 0.000 0.531 273 L N 3.404 124.623 121.223 -0.007 0.000 2.648 273 L HA 0.247 4.616 4.340 0.048 0.000 0.238 273 L C 1.569 178.434 176.870 -0.008 0.000 1.316 273 L CA -0.104 54.731 54.840 -0.008 0.000 1.241 273 L CB -0.528 41.525 42.059 -0.009 0.000 1.499 273 L HN 0.419 nan 8.230 nan 0.000 0.411 274 T N -4.363 110.187 114.554 -0.006 0.000 3.072 274 T HA -0.054 4.325 4.350 0.048 0.000 0.266 274 T C 1.338 176.034 174.700 -0.007 0.000 1.127 274 T CA 0.455 62.551 62.100 -0.006 0.000 1.107 274 T CB -0.092 68.772 68.868 -0.005 0.000 0.910 274 T HN 0.326 nan 8.240 nan 0.000 0.513 275 N N 0.914 119.610 118.700 -0.007 0.000 2.398 275 N HA 0.211 4.980 4.740 0.048 0.000 0.188 275 N C 0.222 175.726 175.510 -0.009 0.000 1.122 275 N CA -0.004 53.041 53.050 -0.008 0.000 0.866 275 N CB -0.164 38.318 38.487 -0.008 0.000 0.970 275 N HN 0.479 nan 8.380 nan 0.000 0.462 276 L N 1.306 122.523 121.223 -0.010 0.000 2.559 276 L HA -0.028 4.341 4.340 0.048 0.000 0.274 276 L C 1.698 178.562 176.870 -0.011 0.000 1.205 276 L CA 0.323 55.156 54.840 -0.012 0.000 0.907 276 L CB 0.570 42.621 42.059 -0.012 0.000 1.153 276 L HN 0.172 nan 8.230 nan 0.000 0.490 277 T N -2.735 111.811 114.554 -0.013 0.000 2.969 277 T HA 0.101 4.480 4.350 0.048 0.000 0.250 277 T C 0.219 174.910 174.700 -0.015 0.000 1.021 277 T CA -0.256 61.837 62.100 -0.013 0.000 1.003 277 T CB 0.418 69.279 68.868 -0.013 0.000 1.040 277 T HN 0.454 nan 8.240 nan 0.000 0.492 278 D N 0.620 121.009 120.400 -0.018 0.000 2.686 278 D HA 0.517 5.186 4.640 0.048 0.000 0.249 278 D C -1.765 174.522 176.300 -0.022 0.000 1.260 278 D CA -0.587 53.400 54.000 -0.022 0.000 0.910 278 D CB 1.931 42.715 40.800 -0.028 0.000 1.323 278 D HN 0.230 nan 8.370 nan 0.000 0.561 279 L N 3.757 124.968 121.223 -0.019 0.000 2.438 279 L HA 0.543 4.912 4.340 0.048 0.000 0.270 279 L C -1.710 175.148 176.870 -0.019 0.000 0.972 279 L CA -0.459 54.369 54.840 -0.019 0.000 0.831 279 L CB 1.937 43.987 42.059 -0.015 0.000 1.273 279 L HN 0.216 nan 8.230 nan 0.000 0.405 280 D N 4.952 125.338 120.400 -0.023 0.000 2.481 280 D HA 0.388 5.057 4.640 0.048 0.000 0.246 280 D C -0.398 175.889 176.300 -0.021 0.000 1.109 280 D CA -0.099 53.888 54.000 -0.022 0.000 0.845 280 D CB 1.252 42.035 40.800 -0.028 0.000 1.160 280 D HN 0.666 nan 8.370 nan 0.000 0.534 281 L N 2.266 123.478 121.223 -0.018 0.000 3.229 281 L HA 0.447 4.816 4.340 0.048 0.000 0.286 281 L C 0.854 177.713 176.870 -0.019 0.000 1.239 281 L CA -0.497 54.332 54.840 -0.018 0.000 1.035 281 L CB 0.642 42.691 42.059 -0.017 0.000 1.408 281 L HN 0.328 nan 8.230 nan 0.000 0.593 282 A N -0.048 122.762 122.820 -0.018 0.000 2.406 282 A HA 0.280 4.629 4.320 0.048 0.000 0.243 282 A C 0.665 178.239 177.584 -0.017 0.000 1.082 282 A CA -0.008 52.019 52.037 -0.018 0.000 0.786 282 A CB 0.034 19.026 19.000 -0.012 0.000 1.029 282 A HN 0.556 nan 8.150 nan 0.000 0.495 283 N N 0.960 119.649 118.700 -0.019 0.000 2.726 283 N HA -0.130 4.639 4.740 0.048 0.000 0.253 283 N C -0.468 175.031 175.510 -0.017 0.000 1.059 283 N CA 1.140 54.180 53.050 -0.017 0.000 0.701 283 N CB -1.025 37.454 38.487 -0.012 0.000 0.899 283 N HN 0.778 nan 8.380 nan 0.000 0.548 284 N N 0.170 118.859 118.700 -0.019 0.000 3.550 284 N HA 0.293 5.062 4.740 0.048 0.000 0.345 284 N C -0.138 175.362 175.510 -0.017 0.000 1.647 284 N CA -0.368 52.672 53.050 -0.017 0.000 0.737 284 N CB 0.452 38.929 38.487 -0.016 0.000 2.178 284 N HN 0.136 nan 8.380 nan 0.000 0.638 285 Q N 0.677 120.468 119.800 -0.015 0.000 2.158 285 Q HA 0.472 4.841 4.340 0.048 0.000 0.306 285 Q C -0.702 175.291 176.000 -0.013 0.000 0.878 285 Q CA -0.083 55.711 55.803 -0.014 0.000 1.136 285 Q CB 0.629 29.360 28.738 -0.012 0.000 1.253 285 Q HN 0.408 nan 8.270 nan 0.000 0.441 286 I N 0.052 120.614 120.570 -0.014 0.000 2.441 286 I HA 0.088 4.287 4.170 0.048 0.000 0.287 286 I C 0.869 176.978 176.117 -0.013 0.000 1.049 286 I CA 0.290 61.583 61.300 -0.013 0.000 1.381 286 I CB 1.600 39.591 38.000 -0.014 0.000 1.409 286 I HN 0.153 nan 8.210 nan 0.000 0.523 287 S N 2.902 118.595 115.700 -0.010 0.000 2.665 287 S HA 0.076 4.575 4.470 0.048 0.000 0.240 287 S C 0.551 175.146 174.600 -0.009 0.000 1.081 287 S CA -0.045 58.150 58.200 -0.009 0.000 0.887 287 S CB 0.116 63.312 63.200 -0.007 0.000 0.805 287 S HN 0.689 nan 8.310 nan 0.000 0.486 288 N N 1.995 120.690 118.700 -0.008 0.000 2.462 288 N HA 0.296 5.065 4.740 0.048 0.000 0.242 288 N C 0.048 175.553 175.510 -0.008 0.000 1.010 288 N CA -0.093 52.952 53.050 -0.007 0.000 0.939 288 N CB 0.404 38.887 38.487 -0.006 0.000 1.127 288 N HN 0.169 nan 8.380 nan 0.000 0.509 289 L N 2.398 123.616 121.223 -0.008 0.000 2.592 289 L HA 0.228 4.597 4.340 0.048 0.000 0.227 289 L C 2.034 178.899 176.870 -0.008 0.000 1.127 289 L CA 0.047 54.882 54.840 -0.009 0.000 0.884 289 L CB -0.197 41.856 42.059 -0.010 0.000 1.065 289 L HN 0.555 nan 8.230 nan 0.000 0.457 290 A N 1.554 124.370 122.820 -0.007 0.000 1.927 290 A HA -0.167 4.182 4.320 0.048 0.000 0.220 290 A C -0.155 177.425 177.584 -0.006 0.000 1.185 290 A CA 1.801 53.835 52.037 -0.006 0.000 0.639 290 A CB -1.646 17.350 19.000 -0.006 0.000 0.820 290 A HN 0.291 nan 8.150 nan 0.000 0.451 291 P HA -0.074 nan 4.420 nan 0.000 0.225 291 P C 1.070 178.366 177.300 -0.007 0.000 1.148 291 P CA 0.660 63.756 63.100 -0.006 0.000 0.779 291 P CB -0.098 31.598 31.700 -0.007 0.000 0.780 292 L N -0.943 120.276 121.223 -0.007 0.000 2.395 292 L HA -0.043 4.326 4.340 0.048 0.000 0.218 292 L C 2.296 179.162 176.870 -0.006 0.000 1.130 292 L CA 1.244 56.079 54.840 -0.007 0.000 0.826 292 L CB -0.934 41.121 42.059 -0.008 0.000 0.941 292 L HN 0.125 nan 8.230 nan 0.000 0.451 293 S N -0.108 115.588 115.700 -0.006 0.000 2.423 293 S HA -0.090 4.409 4.470 0.048 0.000 0.231 293 S C 1.884 176.481 174.600 -0.005 0.000 1.014 293 S CA 0.946 59.143 58.200 -0.006 0.000 0.965 293 S CB -0.597 62.600 63.200 -0.006 0.000 0.785 293 S HN 0.411 nan 8.310 nan 0.000 0.495 294 G N 0.897 109.694 108.800 -0.005 0.000 2.985 294 G HA2 0.294 4.283 3.960 0.048 0.000 0.209 294 G HA3 0.294 4.283 3.960 0.048 0.000 0.209 294 G C 0.653 175.550 174.900 -0.005 0.000 1.165 294 G CA -0.280 44.817 45.100 -0.005 0.000 0.776 294 G HN 0.531 nan 8.290 nan 0.000 0.541 295 L N 2.713 123.933 121.223 -0.005 0.000 2.873 295 L HA 0.124 4.493 4.340 0.048 0.000 0.236 295 L C 1.970 178.837 176.870 -0.005 0.000 1.375 295 L CA -0.019 54.817 54.840 -0.006 0.000 1.239 295 L CB -0.390 41.665 42.059 -0.007 0.000 1.603 295 L HN 0.189 nan 8.230 nan 0.000 0.430 296 T N -4.441 110.110 114.554 -0.005 0.000 3.163 296 T HA -0.069 4.310 4.350 0.048 0.000 0.260 296 T C 1.395 176.093 174.700 -0.004 0.000 1.156 296 T CA 0.449 62.546 62.100 -0.004 0.000 1.072 296 T CB -0.099 68.766 68.868 -0.004 0.000 0.937 296 T HN 0.352 nan 8.240 nan 0.000 0.528 297 K N 0.456 120.853 120.400 -0.005 0.000 2.444 297 K HA 0.301 4.649 4.320 0.048 0.000 0.193 297 K C 0.221 176.817 176.600 -0.006 0.000 1.024 297 K CA -0.192 56.092 56.287 -0.005 0.000 1.077 297 K CB -0.031 32.465 32.500 -0.006 0.000 0.833 297 K HN 0.418 nan 8.250 nan 0.000 0.517 298 L N 1.913 123.133 121.223 -0.005 0.000 2.513 298 L HA -0.040 4.329 4.340 0.048 0.000 0.272 298 L C 1.585 178.453 176.870 -0.003 0.000 1.187 298 L CA 0.257 55.094 54.840 -0.005 0.000 0.895 298 L CB 0.733 42.789 42.059 -0.004 0.000 1.147 298 L HN 0.253 nan 8.230 nan 0.000 0.483 299 T N -1.138 113.413 114.554 -0.004 0.000 2.990 299 T HA 0.201 4.580 4.350 0.048 0.000 0.249 299 T C 0.488 175.189 174.700 0.001 0.000 1.039 299 T CA -0.176 61.924 62.100 -0.001 0.000 1.036 299 T CB 0.355 69.220 68.868 -0.005 0.000 0.994 299 T HN 0.544 nan 8.240 nan 0.000 0.489 300 E N 0.647 120.845 120.200 -0.004 0.000 2.256 300 E HA 0.625 5.004 4.350 0.048 0.000 0.268 300 E C -2.059 174.541 176.600 -0.000 0.000 0.877 300 E CA -0.953 55.447 56.400 -0.001 0.000 0.757 300 E CB 2.711 32.400 29.700 -0.018 0.000 1.183 300 E HN 0.157 nan 8.360 nan 0.000 0.418 301 L N 2.168 123.398 121.223 0.011 0.000 2.528 301 L HA 0.381 4.750 4.340 0.048 0.000 0.267 301 L C -1.709 175.168 176.870 0.013 0.000 0.961 301 L CA -0.353 54.491 54.840 0.006 0.000 0.866 301 L CB 1.436 43.498 42.059 0.005 0.000 1.248 301 L HN 0.361 nan 8.230 nan 0.000 0.404 302 K N 5.993 126.395 120.400 0.003 0.000 2.265 302 K HA 0.561 4.910 4.320 0.048 0.000 0.267 302 K C -0.137 176.458 176.600 -0.009 0.000 0.994 302 K CA -0.341 55.949 56.287 0.005 0.000 0.860 302 K CB 1.698 34.199 32.500 0.001 0.000 1.099 302 K HN 0.665 nan 8.250 nan 0.000 0.448 303 L N 1.975 123.189 121.223 -0.015 0.000 3.184 303 L HA 0.212 4.581 4.340 0.048 0.000 0.283 303 L C 0.811 177.656 176.870 -0.042 0.000 1.218 303 L CA -0.417 54.408 54.840 -0.025 0.000 1.028 303 L CB 1.136 43.181 42.059 -0.023 0.000 1.400 303 L HN 0.726 nan 8.230 nan 0.000 0.591 304 G N -0.034 108.735 108.800 -0.051 0.000 2.554 304 G HA2 0.341 4.330 3.960 0.048 0.000 0.238 304 G HA3 0.341 4.330 3.960 0.048 0.000 0.238 304 G C 0.762 175.626 174.900 -0.060 0.000 1.259 304 G CA 0.443 45.491 45.100 -0.087 0.000 0.843 304 G HN 0.437 nan 8.290 nan 0.000 0.582 305 A N 0.932 123.711 122.820 -0.068 0.000 2.546 305 A HA -0.145 4.204 4.320 0.048 0.000 0.295 305 A C 0.567 178.129 177.584 -0.037 0.000 1.455 305 A CA 0.914 52.923 52.037 -0.047 0.000 0.730 305 A CB -1.953 17.027 19.000 -0.033 0.000 1.111 305 A HN 0.809 nan 8.150 nan 0.000 0.411 306 N N -0.910 117.768 118.700 -0.036 0.000 3.513 306 N HA 0.493 5.262 4.740 0.048 0.000 0.351 306 N C -0.235 175.261 175.510 -0.023 0.000 1.624 306 N CA -0.557 52.476 53.050 -0.027 0.000 0.712 306 N CB 0.537 39.008 38.487 -0.026 0.000 2.106 306 N HN 0.355 nan 8.380 nan 0.000 0.649 307 Q N 1.078 120.867 119.800 -0.018 0.000 2.233 307 Q HA 0.449 4.818 4.340 0.048 0.000 0.340 307 Q C -0.671 175.322 176.000 -0.011 0.000 0.899 307 Q CA -0.102 55.693 55.803 -0.013 0.000 1.139 307 Q CB 0.515 29.247 28.738 -0.011 0.000 1.273 307 Q HN 0.478 nan 8.270 nan 0.000 0.431 308 I N 1.039 121.601 120.570 -0.014 0.000 2.365 308 I HA 0.101 4.300 4.170 0.048 0.000 0.291 308 I C 1.124 177.235 176.117 -0.010 0.000 1.004 308 I CA 0.053 61.345 61.300 -0.013 0.000 1.311 308 I CB 1.468 39.457 38.000 -0.018 0.000 1.401 308 I HN 0.089 nan 8.210 nan 0.000 0.491 309 S N 2.861 118.557 115.700 -0.007 0.000 2.687 309 S HA 0.174 4.673 4.470 0.048 0.000 0.247 309 S C 0.213 174.810 174.600 -0.006 0.000 1.050 309 S CA -0.474 57.724 58.200 -0.004 0.000 1.063 309 S CB -0.120 63.080 63.200 -0.000 0.000 1.039 309 S HN 0.726 nan 8.310 nan 0.000 0.580 310 N N 1.069 119.764 118.700 -0.008 0.000 2.461 310 N HA 0.492 5.261 4.740 0.048 0.000 0.284 310 N C 0.010 175.514 175.510 -0.010 0.000 1.049 310 N CA -0.607 52.438 53.050 -0.008 0.000 0.889 310 N CB 1.369 39.852 38.487 -0.007 0.000 1.365 310 N HN 0.373 nan 8.380 nan 0.000 0.499 311 I N 0.563 121.126 120.570 -0.012 0.000 3.974 311 I HA 0.314 4.513 4.170 0.048 0.000 0.334 311 I C 0.990 177.100 176.117 -0.012 0.000 1.437 311 I CA -0.371 60.922 61.300 -0.013 0.000 1.113 311 I CB 0.688 38.679 38.000 -0.016 0.000 1.063 311 I HN 0.254 nan 8.210 nan 0.000 0.400 312 S N 2.777 118.471 115.700 -0.010 0.000 2.372 312 S HA -0.110 4.389 4.470 0.048 0.000 0.227 312 S C -0.427 174.167 174.600 -0.009 0.000 1.044 312 S CA 2.053 60.248 58.200 -0.009 0.000 1.050 312 S CB -1.336 61.859 63.200 -0.008 0.000 0.901 312 S HN 0.463 nan 8.310 nan 0.000 0.447 313 P HA 0.027 nan 4.420 nan 0.000 0.228 313 P C 0.765 178.061 177.300 -0.007 0.000 1.151 313 P CA 0.748 63.844 63.100 -0.007 0.000 0.770 313 P CB -0.127 31.568 31.700 -0.007 0.000 0.786 314 L N -1.966 119.252 121.223 -0.008 0.000 2.558 314 L HA 0.144 4.513 4.340 0.048 0.000 0.225 314 L C 2.185 179.051 176.870 -0.007 0.000 1.128 314 L CA 0.354 55.189 54.840 -0.007 0.000 0.868 314 L CB -0.751 41.303 42.059 -0.008 0.000 1.006 314 L HN -0.047 nan 8.230 nan 0.000 0.454 315 A N 0.737 123.552 122.820 -0.008 0.000 2.019 315 A HA -0.078 4.271 4.320 0.048 0.000 0.219 315 A C 2.194 179.774 177.584 -0.006 0.000 1.164 315 A CA 1.635 53.667 52.037 -0.008 0.000 0.644 315 A CB -0.689 18.306 19.000 -0.009 0.000 0.805 315 A HN 0.422 nan 8.150 nan 0.000 0.449 316 G N -1.110 107.686 108.800 -0.006 0.000 3.042 316 G HA2 0.326 4.315 3.960 0.048 0.000 0.212 316 G HA3 0.326 4.315 3.960 0.048 0.000 0.212 316 G C 0.581 175.479 174.900 -0.004 0.000 1.166 316 G CA -0.244 44.853 45.100 -0.005 0.000 0.767 316 G HN 0.385 nan 8.290 nan 0.000 0.546 317 L N 2.785 124.006 121.223 -0.003 0.000 2.583 317 L HA 0.127 4.496 4.340 0.048 0.000 0.239 317 L C 1.944 178.814 176.870 -0.001 0.000 1.347 317 L CA -0.106 54.733 54.840 -0.002 0.000 1.246 317 L CB -0.204 41.854 42.059 -0.002 0.000 1.496 317 L HN 0.206 nan 8.230 nan 0.000 0.413 318 T N -3.966 110.588 114.554 -0.001 0.000 3.118 318 T HA -0.022 4.357 4.350 0.048 0.000 0.260 318 T C 1.603 176.304 174.700 0.001 0.000 1.139 318 T CA 0.657 62.757 62.100 -0.000 0.000 1.085 318 T CB 0.226 69.093 68.868 -0.002 0.000 0.934 318 T HN 0.451 nan 8.240 nan 0.000 0.518 319 A N 0.793 123.614 122.820 0.001 0.000 2.238 319 A HA 0.463 4.812 4.320 0.048 0.000 0.208 319 A C 0.915 178.502 177.584 0.005 0.000 1.177 319 A CA -0.288 51.751 52.037 0.002 0.000 0.804 319 A CB -0.549 18.451 19.000 -0.000 0.000 0.823 319 A HN 0.578 nan 8.150 nan 0.000 0.482 320 L N 0.923 122.151 121.223 0.008 0.000 2.462 320 L HA 0.065 4.434 4.340 0.048 0.000 0.272 320 L C 1.828 178.711 176.870 0.022 0.000 1.166 320 L CA 0.353 55.202 54.840 0.014 0.000 0.880 320 L CB 1.042 43.111 42.059 0.016 0.000 1.142 320 L HN 0.513 nan 8.230 nan 0.000 0.473 321 T N -1.475 113.095 114.554 0.027 0.000 3.015 321 T HA 0.161 4.540 4.350 0.048 0.000 0.250 321 T C 0.555 175.302 174.700 0.079 0.000 1.057 321 T CA -0.142 61.982 62.100 0.040 0.000 1.066 321 T CB 0.137 69.020 68.868 0.024 0.000 0.959 321 T HN 0.456 nan 8.240 nan 0.000 0.488 322 N N 0.737 119.485 118.700 0.080 0.000 2.295 322 N HA 0.703 5.472 4.740 0.048 0.000 0.293 322 N C -2.066 173.519 175.510 0.125 0.000 1.040 322 N CA -0.665 52.477 53.050 0.153 0.000 0.840 322 N CB 2.329 40.863 38.487 0.079 0.000 1.468 322 N HN 0.195 nan 8.380 nan 0.000 0.478 323 L N 0.917 122.236 121.223 0.159 0.000 2.476 323 L HA 0.496 4.865 4.340 0.048 0.000 0.269 323 L C -1.264 175.657 176.870 0.085 0.000 0.965 323 L CA -0.310 54.581 54.840 0.085 0.000 0.845 323 L CB 1.689 43.773 42.059 0.043 0.000 1.259 323 L HN 0.525 nan 8.230 nan 0.000 0.403 324 E N 5.919 126.154 120.200 0.059 0.000 2.165 324 E HA 0.456 4.835 4.350 0.048 0.000 0.266 324 E C -0.341 176.237 176.600 -0.038 0.000 0.889 324 E CA -0.321 56.093 56.400 0.024 0.000 0.756 324 E CB 2.141 31.876 29.700 0.058 0.000 1.131 324 E HN 0.664 nan 8.360 nan 0.000 0.411 325 L N 2.496 123.665 121.223 -0.089 0.000 3.298 325 L HA 0.097 4.466 4.340 0.048 0.000 0.296 325 L C 0.346 177.109 176.870 -0.179 0.000 1.237 325 L CA -0.327 54.452 54.840 -0.101 0.000 1.038 325 L CB 0.221 42.242 42.059 -0.064 0.000 1.423 325 L HN 0.496 nan 8.230 nan 0.000 0.605 326 N N 1.247 119.740 118.700 -0.345 0.000 2.374 326 N HA -0.106 4.663 4.740 0.048 0.000 0.241 326 N C -0.298 175.025 175.510 -0.311 0.000 1.262 326 N CA 0.253 52.941 53.050 -0.604 0.000 0.880 326 N CB 0.480 38.050 38.487 -1.528 0.000 1.105 326 N HN 0.168 nan 8.380 nan 0.000 0.438 327 E N -1.047 119.056 120.200 -0.160 0.000 2.246 327 E HA -0.193 4.186 4.350 0.048 0.000 0.211 327 E C -0.690 175.886 176.600 -0.041 0.000 1.278 327 E CA 0.393 56.772 56.400 -0.034 0.000 0.694 327 E CB -1.034 28.631 29.700 -0.058 0.000 1.166 327 E HN 0.648 nan 8.360 nan 0.000 0.370 328 N N -0.099 118.587 118.700 -0.023 0.000 3.427 328 N HA 0.294 5.063 4.740 0.048 0.000 0.364 328 N C -0.048 175.468 175.510 0.009 0.000 1.538 328 N CA -0.500 52.540 53.050 -0.016 0.000 0.662 328 N CB 0.604 39.072 38.487 -0.031 0.000 1.881 328 N HN 0.083 nan 8.380 nan 0.000 0.634 329 Q N 0.690 120.493 119.800 0.006 0.000 2.158 329 Q HA 0.427 4.796 4.340 0.048 0.000 0.306 329 Q C -0.744 175.264 176.000 0.013 0.000 0.878 329 Q CA -0.104 55.708 55.803 0.016 0.000 1.136 329 Q CB 0.584 29.328 28.738 0.010 0.000 1.253 329 Q HN 0.296 nan 8.270 nan 0.000 0.441 330 L N 0.397 121.626 121.223 0.011 0.000 2.371 330 L HA 0.220 4.589 4.340 0.048 0.000 0.272 330 L C 0.937 177.814 176.870 0.012 0.000 1.124 330 L CA 0.269 55.112 54.840 0.004 0.000 0.816 330 L CB 0.991 43.045 42.059 -0.007 0.000 1.129 330 L HN 0.286 nan 8.230 nan 0.000 0.448 331 E N 0.067 120.270 120.200 0.006 0.000 2.713 331 E HA 0.011 4.390 4.350 0.048 0.000 0.201 331 E C -0.493 176.103 176.600 -0.006 0.000 0.935 331 E CA -0.215 56.188 56.400 0.006 0.000 1.273 331 E CB 0.544 30.250 29.700 0.011 0.000 1.221 331 E HN 0.540 nan 8.360 nan 0.000 0.547 332 D N 1.519 121.914 120.400 -0.008 0.000 2.347 332 D HA 0.097 4.766 4.640 0.048 0.000 0.235 332 D C 0.303 176.591 176.300 -0.020 0.000 1.149 332 D CA -0.243 53.748 54.000 -0.015 0.000 0.850 332 D CB 0.746 41.540 40.800 -0.011 0.000 1.061 332 D HN 0.222 nan 8.370 nan 0.000 0.487 333 I N 1.000 121.552 120.570 -0.029 0.000 3.974 333 I HA 0.144 4.343 4.170 0.048 0.000 0.334 333 I C 1.467 177.563 176.117 -0.034 0.000 1.437 333 I CA -0.383 60.896 61.300 -0.034 0.000 1.113 333 I CB 0.114 38.087 38.000 -0.045 0.000 1.063 333 I HN 0.202 nan 8.210 nan 0.000 0.400 334 S N 1.937 117.619 115.700 -0.030 0.000 2.392 334 S HA -0.071 4.428 4.470 0.048 0.000 0.232 334 S C -0.479 174.107 174.600 -0.024 0.000 1.041 334 S CA 1.230 59.413 58.200 -0.028 0.000 1.026 334 S CB -2.078 61.108 63.200 -0.024 0.000 0.845 334 S HN 0.388 nan 8.310 nan 0.000 0.465 335 P HA 0.048 nan 4.420 nan 0.000 0.228 335 P C 1.479 178.769 177.300 -0.018 0.000 1.151 335 P CA 0.797 63.887 63.100 -0.017 0.000 0.770 335 P CB -0.430 31.261 31.700 -0.015 0.000 0.786 336 I N -5.242 115.315 120.570 -0.022 0.000 3.111 336 I HA -0.023 4.176 4.170 0.048 0.000 0.272 336 I C 1.620 177.724 176.117 -0.021 0.000 1.268 336 I CA 0.857 62.144 61.300 -0.021 0.000 1.467 336 I CB -0.702 37.282 38.000 -0.026 0.000 1.087 336 I HN -0.250 nan 8.210 nan 0.000 0.467 337 S N 2.100 117.786 115.700 -0.023 0.000 2.419 337 S HA -0.083 4.416 4.470 0.048 0.000 0.235 337 S C 1.406 175.996 174.600 -0.017 0.000 1.019 337 S CA 1.425 59.611 58.200 -0.023 0.000 0.982 337 S CB -0.449 62.737 63.200 -0.024 0.000 0.789 337 S HN 0.630 nan 8.310 nan 0.000 0.490 338 N N 0.992 119.684 118.700 -0.013 0.000 2.270 338 N HA 0.164 4.932 4.740 0.048 0.000 0.198 338 N C -0.301 175.205 175.510 -0.007 0.000 1.117 338 N CA 0.112 53.156 53.050 -0.010 0.000 0.845 338 N CB 0.197 38.678 38.487 -0.009 0.000 0.980 338 N HN 0.375 nan 8.380 nan 0.000 0.486 339 L N 1.436 122.655 121.223 -0.007 0.000 2.480 339 L HA 0.193 4.562 4.340 0.048 0.000 0.243 339 L C 1.313 178.184 176.870 0.000 0.000 1.315 339 L CA -0.151 54.688 54.840 -0.002 0.000 1.231 339 L CB 0.021 42.080 42.059 -0.001 0.000 1.444 339 L HN -0.203 nan 8.230 nan 0.000 0.409 340 K N 0.386 120.785 120.400 -0.001 0.000 2.442 340 K HA -0.037 4.311 4.320 0.048 0.000 0.198 340 K C 0.971 177.574 176.600 0.005 0.000 1.042 340 K CA 0.567 56.854 56.287 0.000 0.000 0.958 340 K CB 0.157 32.656 32.500 -0.001 0.000 0.766 340 K HN 0.507 nan 8.250 nan 0.000 0.474 341 N N 0.882 119.586 118.700 0.008 0.000 2.461 341 N HA 0.009 4.778 4.740 0.048 0.000 0.188 341 N C 0.449 175.971 175.510 0.021 0.000 1.134 341 N CA 0.166 53.223 53.050 0.012 0.000 0.878 341 N CB 0.157 38.650 38.487 0.010 0.000 0.972 341 N HN 0.161 nan 8.380 nan 0.000 0.456 342 L N 1.444 122.681 121.223 0.023 0.000 2.513 342 L HA -0.003 4.366 4.340 0.048 0.000 0.272 342 L C 1.567 178.465 176.870 0.047 0.000 1.187 342 L CA 0.237 55.100 54.840 0.039 0.000 0.895 342 L CB 0.558 42.635 42.059 0.031 0.000 1.147 342 L HN 0.154 nan 8.230 nan 0.000 0.483 343 T N -0.394 114.204 114.554 0.074 0.000 2.985 343 T HA 0.077 4.456 4.350 0.048 0.000 0.254 343 T C -0.145 174.647 174.700 0.154 0.000 1.021 343 T CA -0.037 62.114 62.100 0.085 0.000 0.957 343 T CB 0.100 69.009 68.868 0.069 0.000 1.047 343 T HN 0.368 nan 8.240 nan 0.000 0.511 344 Y N 0.791 121.106 120.300 0.025 0.000 2.386 344 Y HA 0.650 5.230 4.550 0.049 0.000 0.334 344 Y C -1.996 173.953 175.900 0.081 0.000 1.002 344 Y CA -1.873 56.261 58.100 0.057 0.000 1.068 344 Y CB 1.763 40.241 38.460 0.031 0.000 1.203 344 Y HN 0.182 nan 8.280 nan 0.000 0.443 345 L N 6.343 127.381 121.223 -0.307 0.000 2.470 345 L HA 0.679 5.048 4.340 0.048 0.000 0.268 345 L C -1.177 175.605 176.870 -0.147 0.000 0.964 345 L CA -0.182 54.566 54.840 -0.154 0.000 0.839 345 L CB 2.259 44.292 42.059 -0.044 0.000 1.276 345 L HN 0.715 nan 8.230 nan 0.000 0.403 346 T N 2.474 116.982 114.554 -0.077 0.000 2.807 346 T HA 0.671 5.050 4.350 0.048 0.000 0.279 346 T C 0.177 174.857 174.700 -0.032 0.000 0.993 346 T CA -0.525 61.595 62.100 0.034 0.000 0.970 346 T CB 1.195 70.083 68.868 0.034 0.000 0.950 346 T HN 0.605 nan 8.240 nan 0.000 0.441 347 L N 1.455 122.694 121.223 0.026 0.000 3.386 347 L HA 0.301 4.670 4.340 0.048 0.000 0.307 347 L C -0.231 176.617 176.870 -0.038 0.000 1.235 347 L CA -1.024 53.802 54.840 -0.022 0.000 1.056 347 L CB 0.013 42.105 42.059 0.056 0.000 1.453 347 L HN 0.775 nan 8.230 nan 0.000 0.615 348 Y N -2.182 118.058 120.300 -0.101 0.000 2.426 348 Y HA 0.413 4.990 4.550 0.046 0.000 0.344 348 Y C 0.298 176.170 175.900 -0.047 0.000 1.256 348 Y CA -1.456 56.461 58.100 -0.304 0.000 1.451 348 Y CB -0.250 37.621 38.460 -0.983 0.000 1.342 348 Y HN 0.019 nan 8.280 nan 0.000 0.600 349 F N 1.032 121.064 119.950 0.137 0.000 2.688 349 F HA -0.287 4.269 4.527 0.048 0.000 0.276 349 F C -0.135 175.675 175.800 0.016 0.000 1.034 349 F CA 0.651 58.711 58.000 0.100 0.000 0.991 349 F CB -1.469 37.608 39.000 0.129 0.000 1.119 349 F HN 0.725 nan 8.300 nan 0.000 0.837 350 N N -0.087 118.710 118.700 0.162 0.000 3.455 350 N HA 0.416 5.185 4.740 0.048 0.000 0.358 350 N C 0.021 175.595 175.510 0.107 0.000 1.580 350 N CA -0.696 52.417 53.050 0.106 0.000 0.692 350 N CB 0.660 39.177 38.487 0.050 0.000 1.978 350 N HN 0.041 nan 8.380 nan 0.000 0.651 351 N N 0.224 118.969 118.700 0.075 0.000 2.480 351 N HA 0.414 5.183 4.740 0.048 0.000 0.281 351 N C -0.945 174.599 175.510 0.056 0.000 1.381 351 N CA -0.073 53.019 53.050 0.071 0.000 0.903 351 N CB 0.434 38.955 38.487 0.056 0.000 1.274 351 N HN 0.382 nan 8.380 nan 0.000 0.505 352 I N 0.671 121.275 120.570 0.058 0.000 2.416 352 I HA 0.079 4.278 4.170 0.048 0.000 0.288 352 I C 1.232 177.370 176.117 0.034 0.000 1.051 352 I CA 0.010 61.328 61.300 0.030 0.000 1.375 352 I CB 1.122 39.126 38.000 0.007 0.000 1.407 352 I HN 0.138 nan 8.210 nan 0.000 0.516 353 S N 1.934 117.642 115.700 0.013 0.000 2.520 353 S HA 0.112 4.611 4.470 0.048 0.000 0.219 353 S C 0.272 174.860 174.600 -0.020 0.000 1.028 353 S CA -0.321 57.887 58.200 0.013 0.000 0.921 353 S CB 0.196 63.409 63.200 0.023 0.000 0.844 353 S HN 0.643 nan 8.310 nan 0.000 0.495 354 D N 0.989 121.365 120.400 -0.040 0.000 2.460 354 D HA 0.405 5.074 4.640 0.048 0.000 0.232 354 D C 0.113 176.348 176.300 -0.108 0.000 1.079 354 D CA -0.621 53.340 54.000 -0.064 0.000 0.864 354 D CB 1.017 41.789 40.800 -0.046 0.000 1.048 354 D HN 0.093 nan 8.370 nan 0.000 0.523 355 I N 2.837 123.308 120.570 -0.165 0.000 3.578 355 I HA -0.076 4.123 4.170 0.048 0.000 0.295 355 I C 1.984 177.987 176.117 -0.190 0.000 1.280 355 I CA 0.631 61.776 61.300 -0.258 0.000 1.347 355 I CB -0.144 37.560 38.000 -0.493 0.000 1.051 355 I HN 0.430 nan 8.210 nan 0.000 0.460 356 S N 0.787 116.409 115.700 -0.129 0.000 2.442 356 S HA -0.005 4.494 4.470 0.048 0.000 0.236 356 S C -0.344 174.206 174.600 -0.083 0.000 1.007 356 S CA 0.619 58.760 58.200 -0.098 0.000 0.965 356 S CB -1.785 61.372 63.200 -0.072 0.000 0.773 356 S HN 0.284 nan 8.310 nan 0.000 0.504 357 P HA -0.063 nan 4.420 nan 0.000 0.220 357 P C 1.730 178.990 177.300 -0.067 0.000 1.144 357 P CA 1.211 64.272 63.100 -0.064 0.000 0.800 357 P CB -0.397 31.268 31.700 -0.058 0.000 0.772 358 V N -2.619 117.241 119.914 -0.091 0.000 3.141 358 V HA -0.130 4.019 4.120 0.048 0.000 0.265 358 V C 2.119 178.177 176.094 -0.061 0.000 1.126 358 V CA 1.711 63.963 62.300 -0.080 0.000 1.141 358 V CB -1.649 30.107 31.823 -0.112 0.000 0.743 358 V HN 0.176 nan 8.190 nan 0.000 0.492 359 S N 2.484 118.147 115.700 -0.060 0.000 2.400 359 S HA -0.205 4.294 4.470 0.048 0.000 0.232 359 S C 1.917 176.497 174.600 -0.033 0.000 1.025 359 S CA 1.782 59.954 58.200 -0.047 0.000 0.993 359 S CB -1.079 62.093 63.200 -0.046 0.000 0.808 359 S HN 0.997 nan 8.310 nan 0.000 0.478 360 S N 1.249 116.931 115.700 -0.030 0.000 2.562 360 S HA 0.304 4.803 4.470 0.048 0.000 0.221 360 S C 0.779 175.369 174.600 -0.016 0.000 0.975 360 S CA -0.211 57.976 58.200 -0.021 0.000 0.918 360 S CB -0.624 62.564 63.200 -0.020 0.000 0.772 360 S HN 0.539 nan 8.310 nan 0.000 0.531 361 L N 3.389 124.601 121.223 -0.019 0.000 2.648 361 L HA 0.245 4.614 4.340 0.048 0.000 0.238 361 L C 1.536 178.402 176.870 -0.006 0.000 1.316 361 L CA -0.264 54.570 54.840 -0.012 0.000 1.241 361 L CB -0.607 41.443 42.059 -0.015 0.000 1.499 361 L HN 0.352 nan 8.230 nan 0.000 0.411 362 T N -3.860 110.691 114.554 -0.005 0.000 3.072 362 T HA -0.098 4.281 4.350 0.048 0.000 0.266 362 T C 1.456 176.160 174.700 0.006 0.000 1.127 362 T CA 0.639 62.738 62.100 -0.001 0.000 1.107 362 T CB -0.079 68.788 68.868 -0.003 0.000 0.910 362 T HN 0.393 nan 8.240 nan 0.000 0.513 363 K N 0.533 120.938 120.400 0.009 0.000 2.459 363 K HA 0.287 4.636 4.320 0.048 0.000 0.193 363 K C 0.390 177.004 176.600 0.024 0.000 1.030 363 K CA -0.172 56.125 56.287 0.016 0.000 1.026 363 K CB -0.135 32.376 32.500 0.017 0.000 0.809 363 K HN 0.393 nan 8.250 nan 0.000 0.504 364 L N 1.869 123.103 121.223 0.019 0.000 2.578 364 L HA -0.134 4.235 4.340 0.048 0.000 0.279 364 L C 1.233 178.123 176.870 0.034 0.000 1.227 364 L CA 0.583 55.438 54.840 0.025 0.000 0.900 364 L CB 0.471 42.535 42.059 0.009 0.000 1.144 364 L HN 0.253 nan 8.230 nan 0.000 0.496 365 Q N 2.815 122.644 119.800 0.049 0.000 2.431 365 Q HA 0.233 4.602 4.340 0.048 0.000 0.244 365 Q C -0.246 175.791 176.000 0.062 0.000 0.880 365 Q CA 0.252 56.092 55.803 0.062 0.000 0.954 365 Q CB 0.828 29.607 28.738 0.067 0.000 1.105 365 Q HN 0.540 nan 8.270 nan 0.000 0.558 366 R N 0.731 121.252 120.500 0.035 0.000 2.532 366 R HA 0.557 4.926 4.340 0.048 0.000 0.297 366 R C -1.763 174.430 176.300 -0.178 0.000 0.984 366 R CA -0.707 55.359 56.100 -0.056 0.000 0.884 366 R CB 2.151 32.473 30.300 0.038 0.000 1.182 366 R HN -0.077 nan 8.270 nan 0.000 0.442 367 L N 3.399 124.422 121.223 -0.334 0.000 2.439 367 L HA 0.545 4.914 4.340 0.048 0.000 0.270 367 L C -1.862 174.802 176.870 -0.343 0.000 0.972 367 L CA -0.373 54.358 54.840 -0.182 0.000 0.836 367 L CB 1.388 43.449 42.059 0.002 0.000 1.255 367 L HN 0.490 nan 8.230 nan 0.000 0.404 368 F N 6.636 126.627 119.950 0.068 0.000 2.403 368 F HA 0.483 5.041 4.527 0.051 0.000 0.355 368 F C -0.018 175.862 175.800 0.134 0.000 1.119 368 F CA -0.443 57.587 58.000 0.051 0.000 1.007 368 F CB 1.202 40.221 39.000 0.032 0.000 1.194 368 F HN 0.475 nan 8.300 nan 0.000 0.443 369 F N 1.839 121.827 119.950 0.065 0.000 2.777 369 F HA 0.394 4.950 4.527 0.048 0.000 0.361 369 F C -0.532 175.277 175.800 0.015 0.000 1.254 369 F CA -1.427 56.585 58.000 0.021 0.000 1.181 369 F CB -1.125 37.883 39.000 0.013 0.000 1.082 369 F HN 0.306 nan 8.300 nan 0.000 0.510 370 Y N -0.259 119.980 120.300 -0.103 0.000 2.550 370 Y HA 0.302 4.880 4.550 0.047 0.000 0.343 370 Y C 0.829 176.617 175.900 -0.186 0.000 1.245 370 Y CA -0.508 57.490 58.100 -0.170 0.000 1.462 370 Y CB 0.147 38.506 38.460 -0.167 0.000 1.340 370 Y HN 0.395 nan 8.280 nan 0.000 0.604 371 N N 2.634 121.381 118.700 0.078 0.000 2.663 371 N HA -0.246 4.523 4.740 0.048 0.000 0.263 371 N C -1.359 174.185 175.510 0.056 0.000 1.109 371 N CA 0.595 53.614 53.050 -0.052 0.000 0.701 371 N CB -0.986 37.166 38.487 -0.558 0.000 0.879 371 N HN 0.796 nan 8.380 nan 0.000 0.550 372 N N 0.277 119.068 118.700 0.151 0.000 3.387 372 N HA 0.320 5.089 4.740 0.048 0.000 0.322 372 N C 0.021 175.636 175.510 0.176 0.000 1.588 372 N CA -0.490 52.664 53.050 0.173 0.000 0.778 372 N CB 0.867 39.491 38.487 0.228 0.000 1.883 372 N HN 0.085 nan 8.380 nan 0.000 0.628 373 K N 0.713 121.205 120.400 0.153 0.000 2.618 373 K HA 0.336 4.685 4.320 0.048 0.000 0.207 373 K C -0.624 176.050 176.600 0.124 0.000 1.058 373 K CA -0.098 56.270 56.287 0.135 0.000 1.086 373 K CB 0.833 33.393 32.500 0.100 0.000 0.827 373 K HN 0.141 nan 8.250 nan 0.000 0.481 374 V N 1.924 121.938 119.914 0.167 0.000 2.530 374 V HA -0.007 4.142 4.120 0.048 0.000 0.282 374 V C 1.256 177.414 176.094 0.107 0.000 1.048 374 V CA 0.259 62.630 62.300 0.119 0.000 0.997 374 V CB 1.368 33.284 31.823 0.155 0.000 0.987 374 V HN 0.413 nan 8.190 nan 0.000 0.477 375 S N 2.093 117.809 115.700 0.027 0.000 2.641 375 S HA 0.107 4.606 4.470 0.048 0.000 0.239 375 S C 0.563 175.129 174.600 -0.057 0.000 1.081 375 S CA -0.052 58.125 58.200 -0.038 0.000 0.904 375 S CB 0.167 63.308 63.200 -0.098 0.000 0.803 375 S HN 0.670 nan 8.310 nan 0.000 0.510 376 D N 2.720 123.089 120.400 -0.051 0.000 2.347 376 D HA 0.314 4.983 4.640 0.048 0.000 0.235 376 D C 0.699 176.969 176.300 -0.051 0.000 1.149 376 D CA -0.283 53.682 54.000 -0.058 0.000 0.850 376 D CB 1.640 42.406 40.800 -0.057 0.000 1.061 376 D HN 0.248 nan 8.370 nan 0.000 0.487 377 V N 1.439 121.330 119.914 -0.038 0.000 3.342 377 V HA 0.152 4.301 4.120 0.048 0.000 0.322 377 V C 1.589 177.658 176.094 -0.042 0.000 1.370 377 V CA -0.145 62.138 62.300 -0.029 0.000 1.170 377 V CB -0.162 31.680 31.823 0.031 0.000 1.101 377 V HN 0.323 nan 8.190 nan 0.000 0.442 378 S N 2.676 118.347 115.700 -0.048 0.000 2.372 378 S HA -0.262 4.236 4.470 0.048 0.000 0.227 378 S C 2.239 176.812 174.600 -0.043 0.000 1.044 378 S CA 2.290 60.464 58.200 -0.044 0.000 1.050 378 S CB -0.536 62.639 63.200 -0.042 0.000 0.901 378 S HN 1.037 nan 8.310 nan 0.000 0.447 379 S N 2.007 117.675 115.700 -0.053 0.000 2.419 379 S HA -0.015 4.483 4.470 0.048 0.000 0.235 379 S C 1.669 176.238 174.600 -0.051 0.000 1.019 379 S CA 0.867 59.034 58.200 -0.056 0.000 0.982 379 S CB -0.746 62.409 63.200 -0.075 0.000 0.789 379 S HN 0.488 nan 8.310 nan 0.000 0.490 380 L N 0.981 122.176 121.223 -0.047 0.000 2.376 380 L HA 0.079 4.448 4.340 0.048 0.000 0.219 380 L C 3.053 179.911 176.870 -0.019 0.000 1.133 380 L CA 0.725 55.548 54.840 -0.029 0.000 0.816 380 L CB -0.962 41.097 42.059 -0.001 0.000 0.933 380 L HN 0.456 nan 8.230 nan 0.000 0.449 381 A N 0.727 123.533 122.820 -0.024 0.000 2.032 381 A HA -0.224 4.125 4.320 0.048 0.000 0.221 381 A C 1.949 179.522 177.584 -0.017 0.000 1.165 381 A CA 1.707 53.732 52.037 -0.021 0.000 0.645 381 A CB -0.524 18.462 19.000 -0.023 0.000 0.807 381 A HN 0.508 nan 8.150 nan 0.000 0.453 382 N N -0.170 118.518 118.700 -0.019 0.000 2.459 382 N HA -0.018 4.751 4.740 0.048 0.000 0.181 382 N C 0.223 175.727 175.510 -0.011 0.000 1.046 382 N CA 0.598 53.638 53.050 -0.016 0.000 0.904 382 N CB -0.135 38.339 38.487 -0.021 0.000 0.964 382 N HN 0.475 nan 8.380 nan 0.000 0.444 383 L N 1.647 122.865 121.223 -0.009 0.000 2.512 383 L HA 0.186 4.555 4.340 0.048 0.000 0.247 383 L C 0.972 177.845 176.870 0.004 0.000 1.204 383 L CA -0.200 54.639 54.840 -0.002 0.000 1.153 383 L CB 0.081 42.139 42.059 -0.001 0.000 1.415 383 L HN -0.088 nan 8.230 nan 0.000 0.406 384 T N -1.089 113.467 114.554 0.004 0.000 2.995 384 T HA -0.101 4.278 4.350 0.048 0.000 0.269 384 T C 1.535 176.243 174.700 0.014 0.000 1.091 384 T CA 1.024 63.127 62.100 0.006 0.000 1.128 384 T CB -0.086 68.784 68.868 0.003 0.000 0.891 384 T HN 0.307 nan 8.240 nan 0.000 0.492 385 N N 0.581 119.292 118.700 0.019 0.000 2.268 385 N HA 0.188 4.957 4.740 0.048 0.000 0.204 385 N C -0.210 175.324 175.510 0.041 0.000 1.124 385 N CA -0.318 52.750 53.050 0.029 0.000 0.838 385 N CB -0.330 38.175 38.487 0.030 0.000 0.994 385 N HN 0.328 nan 8.380 nan 0.000 0.489 386 I N 0.456 121.047 120.570 0.036 0.000 2.618 386 I HA -0.006 4.193 4.170 0.048 0.000 0.284 386 I C 1.209 177.371 176.117 0.075 0.000 1.146 386 I CA 0.294 61.623 61.300 0.048 0.000 1.425 386 I CB 0.573 38.591 38.000 0.030 0.000 1.383 386 I HN 0.085 nan 8.210 nan 0.000 0.562 387 N N 5.319 124.100 118.700 0.135 0.000 2.545 387 N HA 0.069 4.838 4.740 0.048 0.000 0.190 387 N C -0.894 174.797 175.510 0.302 0.000 1.043 387 N CA 0.459 53.641 53.050 0.219 0.000 0.879 387 N CB 0.268 38.941 38.487 0.311 0.000 1.210 387 N HN 0.466 nan 8.380 nan 0.000 0.437 388 W N 1.425 122.681 121.300 -0.073 0.000 2.471 388 W HA 0.535 5.223 4.660 0.047 0.000 0.318 388 W C -0.797 175.545 176.519 -0.295 0.000 1.034 388 W CA -0.722 56.531 57.345 -0.154 0.000 1.224 388 W CB 0.678 30.048 29.460 -0.150 0.000 1.335 388 W HN -0.159 nan 8.180 nan 0.000 0.452 389 L N 3.730 124.911 121.223 -0.070 0.000 2.415 389 L HA 0.558 4.927 4.340 0.048 0.000 0.268 389 L C -0.510 176.251 176.870 -0.181 0.000 0.984 389 L CA -0.293 54.470 54.840 -0.129 0.000 0.853 389 L CB 1.569 43.598 42.059 -0.051 0.000 1.215 389 L HN 0.237 nan 8.230 nan 0.000 0.419 390 S N 3.747 119.283 115.700 -0.275 0.000 2.520 390 S HA 0.799 5.298 4.470 0.048 0.000 0.324 390 S C 0.329 174.705 174.600 -0.375 0.000 1.069 390 S CA 0.224 58.330 58.200 -0.158 0.000 1.121 390 S CB 0.935 64.202 63.200 0.111 0.000 0.971 390 S HN 0.841 nan 8.310 nan 0.000 0.463 391 A N 3.777 126.357 122.820 -0.402 0.000 2.592 391 A HA 0.606 4.955 4.320 0.048 0.000 0.290 391 A C 0.852 178.286 177.584 -0.250 0.000 0.998 391 A CA -0.069 51.534 52.037 -0.724 0.000 0.983 391 A CB -0.216 18.404 19.000 -0.634 0.000 1.240 391 A HN 0.861 nan 8.150 nan 0.000 0.535 392 G N -1.369 107.386 108.800 -0.076 0.000 2.667 392 G HA2 0.377 4.366 3.960 0.048 0.000 0.250 392 G HA3 0.377 4.366 3.960 0.048 0.000 0.250 392 G C 0.410 175.360 174.900 0.083 0.000 1.212 392 G CA 0.088 45.173 45.100 -0.025 0.000 0.874 392 G HN 0.566 nan 8.290 nan 0.000 0.561 393 H N -0.758 118.319 119.070 0.012 0.000 2.713 393 H HA -0.132 4.453 4.556 0.048 0.000 0.311 393 H C 0.632 176.009 175.328 0.082 0.000 1.175 393 H CA 1.183 57.249 56.048 0.030 0.000 1.143 393 H CB -1.209 28.544 29.762 -0.016 0.000 1.434 393 H HN 0.528 nan 8.280 nan 0.000 0.418 394 N N 0.134 118.947 118.700 0.188 0.000 3.178 394 N HA 0.215 4.983 4.740 0.048 0.000 0.352 394 N C 0.620 176.286 175.510 0.259 0.000 1.423 394 N CA -0.529 52.655 53.050 0.224 0.000 0.698 394 N CB 0.704 39.345 38.487 0.257 0.000 1.400 394 N HN 0.248 nan 8.380 nan 0.000 0.586 395 Q N 0.745 120.697 119.800 0.253 0.000 2.182 395 Q HA 0.425 4.794 4.340 0.048 0.000 0.305 395 Q C -0.683 175.377 176.000 0.100 0.000 0.880 395 Q CA -0.116 55.864 55.803 0.294 0.000 1.131 395 Q CB 0.517 29.383 28.738 0.214 0.000 1.237 395 Q HN 0.411 nan 8.270 nan 0.000 0.447 396 I N 1.284 121.975 120.570 0.201 0.000 2.416 396 I HA 0.005 4.204 4.170 0.048 0.000 0.288 396 I C 1.140 177.318 176.117 0.102 0.000 1.051 396 I CA 0.236 61.596 61.300 0.100 0.000 1.375 396 I CB 1.257 39.361 38.000 0.172 0.000 1.407 396 I HN 0.202 nan 8.210 nan 0.000 0.516 397 S N 2.003 117.570 115.700 -0.221 0.000 2.559 397 S HA 0.157 4.656 4.470 0.048 0.000 0.226 397 S C 0.045 174.694 174.600 0.081 0.000 1.030 397 S CA -0.367 57.689 58.200 -0.241 0.000 0.956 397 S CB 0.286 62.955 63.200 -0.885 0.000 0.900 397 S HN 0.676 nan 8.310 nan 0.000 0.510 398 D N 0.725 121.111 120.400 -0.023 0.000 2.686 398 D HA 0.373 5.042 4.640 0.048 0.000 0.249 398 D C 0.288 176.505 176.300 -0.138 0.000 1.260 398 D CA -0.525 53.442 54.000 -0.054 0.000 0.910 398 D CB 1.206 41.965 40.800 -0.068 0.000 1.323 398 D HN 0.121 nan 8.370 nan 0.000 0.561 399 L N 2.606 123.707 121.223 -0.203 0.000 2.558 399 L HA 0.037 4.406 4.340 0.048 0.000 0.225 399 L C 2.290 179.077 176.870 -0.138 0.000 1.128 399 L CA 0.719 55.405 54.840 -0.257 0.000 0.868 399 L CB -0.308 41.522 42.059 -0.382 0.000 1.006 399 L HN 0.523 nan 8.230 nan 0.000 0.454 400 T N -1.896 112.604 114.554 -0.090 0.000 2.737 400 T HA -0.112 4.267 4.350 0.048 0.000 0.269 400 T C -0.426 174.241 174.700 -0.054 0.000 1.040 400 T CA 0.847 62.912 62.100 -0.059 0.000 1.142 400 T CB -1.572 67.272 68.868 -0.040 0.000 0.861 400 T HN 0.174 nan 8.240 nan 0.000 0.456 401 P HA 0.150 nan 4.420 nan 0.000 0.226 401 P C 1.224 178.498 177.300 -0.044 0.000 1.153 401 P CA 0.633 63.706 63.100 -0.046 0.000 0.777 401 P CB -0.291 31.382 31.700 -0.045 0.000 0.794 402 L N -1.954 119.235 121.223 -0.057 0.000 2.558 402 L HA 0.174 4.543 4.340 0.048 0.000 0.225 402 L C 2.251 179.093 176.870 -0.047 0.000 1.128 402 L CA 0.373 55.181 54.840 -0.053 0.000 0.868 402 L CB -0.905 41.110 42.059 -0.073 0.000 1.006 402 L HN -0.086 nan 8.230 nan 0.000 0.454 403 A N 0.895 123.688 122.820 -0.046 0.000 1.986 403 A HA -0.196 4.153 4.320 0.048 0.000 0.220 403 A C 1.811 179.379 177.584 -0.026 0.000 1.171 403 A CA 1.753 53.768 52.037 -0.037 0.000 0.640 403 A CB -0.365 18.616 19.000 -0.031 0.000 0.811 403 A HN 0.463 nan 8.150 nan 0.000 0.451 404 N N -0.483 118.204 118.700 -0.023 0.000 2.230 404 N HA 0.166 4.935 4.740 0.048 0.000 0.202 404 N C -0.203 175.299 175.510 -0.013 0.000 1.119 404 N CA 0.100 53.141 53.050 -0.016 0.000 0.851 404 N CB 0.243 38.722 38.487 -0.014 0.000 0.990 404 N HN 0.431 nan 8.380 nan 0.000 0.497 405 L N 1.763 122.977 121.223 -0.015 0.000 2.391 405 L HA 0.144 4.513 4.340 0.048 0.000 0.249 405 L C 1.190 178.055 176.870 -0.009 0.000 1.308 405 L CA -0.050 54.784 54.840 -0.010 0.000 1.209 405 L CB -0.551 41.501 42.059 -0.012 0.000 1.401 405 L HN 0.031 nan 8.230 nan 0.000 0.416 406 T N -3.808 110.743 114.554 -0.005 0.000 3.129 406 T HA 0.054 4.433 4.350 0.048 0.000 0.251 406 T C 1.475 176.177 174.700 0.003 0.000 1.117 406 T CA -0.038 62.060 62.100 -0.004 0.000 1.034 406 T CB -0.080 68.786 68.868 -0.004 0.000 0.968 406 T HN 0.409 nan 8.240 nan 0.000 0.526 407 R N 0.358 120.864 120.500 0.011 0.000 2.317 407 R HA 0.380 4.749 4.340 0.048 0.000 0.208 407 R C 0.231 176.548 176.300 0.029 0.000 0.914 407 R CA -0.156 55.959 56.100 0.024 0.000 1.060 407 R CB -0.097 30.223 30.300 0.033 0.000 1.015 407 R HN 0.436 nan 8.270 nan 0.000 0.498 408 I N 1.714 122.290 120.570 0.010 0.000 2.618 408 I HA -0.094 4.105 4.170 0.048 0.000 0.284 408 I C 1.494 177.594 176.117 -0.029 0.000 1.146 408 I CA 0.736 62.035 61.300 -0.003 0.000 1.425 408 I CB 1.309 39.293 38.000 -0.026 0.000 1.383 408 I HN 0.187 nan 8.210 nan 0.000 0.562 409 T N 1.779 116.298 114.554 -0.058 0.000 2.958 409 T HA 0.228 4.607 4.350 0.048 0.000 0.256 409 T C 0.438 174.969 174.700 -0.282 0.000 0.983 409 T CA -0.239 61.789 62.100 -0.121 0.000 0.924 409 T CB 0.574 69.406 68.868 -0.060 0.000 1.136 409 T HN 0.465 nan 8.240 nan 0.000 0.506 410 Q N 0.751 120.306 119.800 -0.408 0.000 2.305 410 Q HA 0.703 5.072 4.340 0.048 0.000 0.271 410 Q C -1.950 173.872 176.000 -0.297 0.000 1.046 410 Q CA -0.627 54.861 55.803 -0.526 0.000 0.798 410 Q CB 2.959 31.003 28.738 -1.157 0.000 1.286 410 Q HN 0.338 nan 8.270 nan 0.000 0.435 411 L N 0.429 121.526 121.223 -0.210 0.000 2.455 411 L HA 0.845 5.213 4.340 0.048 0.000 0.264 411 L C -0.947 175.862 176.870 -0.102 0.000 0.968 411 L CA -0.107 54.654 54.840 -0.131 0.000 0.827 411 L CB 2.415 44.411 42.059 -0.104 0.000 1.317 411 L HN 0.626 nan 8.230 nan 0.000 0.407 412 G N 4.680 113.428 108.800 -0.086 0.000 2.730 412 G HA2 0.573 4.562 3.960 0.048 0.000 0.291 412 G HA3 0.573 4.562 3.960 0.048 0.000 0.291 412 G C -0.639 174.226 174.900 -0.058 0.000 1.456 412 G CA -0.242 44.821 45.100 -0.062 0.000 0.996 412 G HN 0.604 nan 8.290 nan 0.000 0.528 413 L N 1.730 122.949 121.223 -0.006 0.000 3.429 413 L HA 0.235 4.604 4.340 0.048 0.000 0.311 413 L C 0.075 177.033 176.870 0.146 0.000 1.274 413 L CA -0.618 54.270 54.840 0.080 0.000 1.037 413 L CB 0.274 42.391 42.059 0.097 0.000 1.433 413 L HN 0.310 nan 8.230 nan 0.000 0.614 414 N N 1.153 119.850 118.700 -0.005 0.000 2.479 414 N HA 0.029 4.797 4.740 0.048 0.000 0.257 414 N C 0.077 175.428 175.510 -0.265 0.000 1.232 414 N CA 0.405 53.385 53.050 -0.117 0.000 0.920 414 N CB 0.344 38.725 38.487 -0.177 0.000 1.105 414 N HN 0.087 nan 8.380 nan 0.000 0.444 415 D N -0.154 120.042 120.400 -0.340 0.000 2.746 415 D HA -0.151 4.518 4.640 0.048 0.000 0.236 415 D C -0.443 175.671 176.300 -0.310 0.000 1.129 415 D CA 0.666 54.390 54.000 -0.461 0.000 0.691 415 D CB -0.594 39.699 40.800 -0.845 0.000 1.077 415 D HN 0.458 nan 8.370 nan 0.000 0.432 416 Q N -0.305 119.422 119.800 -0.123 0.000 2.454 416 Q HA 0.563 4.932 4.340 0.048 0.000 0.247 416 Q C 0.421 176.453 176.000 0.054 0.000 1.028 416 Q CA 0.306 56.182 55.803 0.123 0.000 0.910 416 Q CB 1.132 30.146 28.738 0.460 0.000 1.276 416 Q HN 0.435 nan 8.270 nan 0.000 0.489 417 A N 1.387 124.325 122.820 0.197 0.000 2.517 417 A HA 0.687 5.036 4.320 0.048 0.000 0.297 417 A C -1.796 175.958 177.584 0.284 0.000 1.050 417 A CA -0.805 51.272 52.037 0.067 0.000 0.694 417 A CB 0.929 19.919 19.000 -0.016 0.000 1.277 417 A HN 0.739 nan 8.150 nan 0.000 0.400 418 W N 0.228 121.538 121.300 0.016 0.000 3.042 418 W HA 0.796 5.484 4.660 0.048 0.000 0.342 418 W C -1.112 175.408 176.519 0.002 0.000 1.240 418 W CA -0.799 56.562 57.345 0.026 0.000 1.166 418 W CB 0.913 30.404 29.460 0.052 0.000 1.469 418 W HN 0.526 nan 8.180 nan 0.000 0.579 419 T N 3.119 117.813 114.554 0.234 0.000 2.786 419 T HA 0.270 4.649 4.350 0.048 0.000 0.283 419 T C -0.305 174.546 174.700 0.252 0.000 0.992 419 T CA -0.603 61.564 62.100 0.111 0.000 0.954 419 T CB 0.446 69.358 68.868 0.072 0.000 0.934 419 T HN 0.347 nan 8.240 nan 0.000 0.440 420 N N 1.776 120.609 118.700 0.222 0.000 2.371 420 N HA 0.402 5.171 4.740 0.048 0.000 0.243 420 N C 0.313 175.917 175.510 0.158 0.000 1.287 420 N CA -0.334 52.870 53.050 0.257 0.000 0.911 420 N CB 0.369 38.997 38.487 0.235 0.000 1.142 420 N HN 0.807 nan 8.380 nan 0.000 0.451 421 A N 1.447 124.351 122.820 0.139 0.000 2.498 421 A HA 0.292 4.641 4.320 0.048 0.000 0.239 421 A C -1.985 175.651 177.584 0.087 0.000 1.068 421 A CA -0.715 51.381 52.037 0.098 0.000 0.766 421 A CB -0.569 18.482 19.000 0.085 0.000 1.003 421 A HN 0.441 nan 8.150 nan 0.000 0.497 422 P HA 0.315 nan 4.420 nan 0.000 0.269 422 P C -0.391 176.949 177.300 0.067 0.000 1.215 422 P CA -0.058 63.078 63.100 0.061 0.000 0.780 422 P CB 0.693 32.427 31.700 0.055 0.000 0.898 423 V N -1.108 118.845 119.914 0.066 0.000 3.074 423 V HA 0.574 4.723 4.120 0.048 0.000 0.314 423 V C -0.259 175.880 176.094 0.075 0.000 1.117 423 V CA -1.199 61.143 62.300 0.070 0.000 1.014 423 V CB 1.866 33.736 31.823 0.077 0.000 1.057 423 V HN 0.240 nan 8.190 nan 0.000 0.438 424 N N 1.671 120.414 118.700 0.071 0.000 2.454 424 N HA 0.155 4.924 4.740 0.048 0.000 0.260 424 N C -0.624 174.943 175.510 0.096 0.000 1.218 424 N CA 0.124 53.227 53.050 0.088 0.000 0.904 424 N CB 0.216 38.740 38.487 0.061 0.000 1.065 424 N HN 0.951 nan 8.380 nan 0.000 0.462 425 Y N 2.308 122.646 120.300 0.064 0.000 2.511 425 Y HA 0.101 4.680 4.550 0.048 0.000 0.332 425 Y C 0.004 175.948 175.900 0.073 0.000 1.177 425 Y CA 0.522 58.662 58.100 0.068 0.000 1.422 425 Y CB 0.416 38.967 38.460 0.152 0.000 1.271 425 Y HN 0.413 nan 8.280 nan 0.000 0.550 426 K N 3.312 123.155 120.400 -0.928 0.000 2.499 426 K HA 0.636 4.985 4.320 0.048 0.000 0.277 426 K C 0.401 176.535 176.600 -0.776 0.000 1.025 426 K CA -0.448 55.411 56.287 -0.715 0.000 0.900 426 K CB 1.622 33.963 32.500 -0.266 0.000 1.494 426 K HN 0.536 nan 8.250 nan 0.000 0.442 427 A N 0.621 123.218 122.820 -0.371 0.000 1.940 427 A HA -0.155 4.194 4.320 0.048 0.000 0.219 427 A C 0.576 178.107 177.584 -0.087 0.000 1.176 427 A CA 1.974 53.917 52.037 -0.157 0.000 0.631 427 A CB -0.519 18.450 19.000 -0.050 0.000 0.814 427 A HN 0.625 nan 8.150 nan 0.000 0.446 428 N N -1.839 116.813 118.700 -0.080 0.000 2.430 428 N HA 0.435 5.204 4.740 0.048 0.000 0.290 428 N C -1.484 174.029 175.510 0.006 0.000 1.063 428 N CA -0.278 52.771 53.050 -0.001 0.000 0.883 428 N CB 2.126 40.618 38.487 0.009 0.000 1.465 428 N HN 0.115 nan 8.380 nan 0.000 0.493 429 V N 2.630 122.602 119.914 0.098 0.000 2.604 429 V HA 0.818 4.967 4.120 0.048 0.000 0.305 429 V C -1.100 175.148 176.094 0.256 0.000 1.043 429 V CA -0.336 62.048 62.300 0.139 0.000 0.888 429 V CB 1.651 33.558 31.823 0.140 0.000 0.995 429 V HN 0.733 nan 8.190 nan 0.000 0.429 430 S N 6.839 122.649 115.700 0.183 0.000 2.557 430 S HA 0.762 5.261 4.470 0.048 0.000 0.291 430 S C -0.856 173.848 174.600 0.173 0.000 1.116 430 S CA -0.671 57.621 58.200 0.153 0.000 0.992 430 S CB 1.157 64.392 63.200 0.058 0.000 1.028 430 S HN 1.035 nan 8.310 nan 0.000 0.484 431 I N 1.489 122.181 120.570 0.204 0.000 2.689 431 I HA 0.729 4.928 4.170 0.048 0.000 0.299 431 I C -2.952 173.239 176.117 0.124 0.000 1.059 431 I CA -3.084 58.332 61.300 0.193 0.000 1.055 431 I CB 2.140 40.321 38.000 0.303 0.000 1.243 431 I HN 0.314 nan 8.210 nan 0.000 0.425 432 P HA 0.092 nan 4.420 nan 0.000 0.268 432 P C -0.895 176.476 177.300 0.119 0.000 1.204 432 P CA -0.067 63.092 63.100 0.098 0.000 0.768 432 P CB 0.390 32.146 31.700 0.093 0.000 0.842 433 N N 1.752 120.508 118.700 0.093 0.000 2.513 433 N HA 0.071 4.840 4.740 0.048 0.000 0.268 433 N C 0.431 176.020 175.510 0.132 0.000 1.180 433 N CA 0.349 53.432 53.050 0.056 0.000 0.948 433 N CB 0.099 38.592 38.487 0.011 0.000 1.083 433 N HN 0.370 nan 8.380 nan 0.000 0.455 434 T N -1.083 113.596 114.554 0.209 0.000 3.170 434 T HA 0.194 4.573 4.350 0.048 0.000 0.288 434 T C 0.008 174.791 174.700 0.139 0.000 0.992 434 T CA -0.418 61.787 62.100 0.175 0.000 0.909 434 T CB -0.506 68.491 68.868 0.215 0.000 1.133 434 T HN 0.107 nan 8.240 nan 0.000 0.530 435 V N 2.820 122.793 119.914 0.097 0.000 2.427 435 V HA 0.353 4.502 4.120 0.048 0.000 0.268 435 V C 0.042 176.127 176.094 -0.016 0.000 1.046 435 V CA -0.374 61.886 62.300 -0.066 0.000 0.970 435 V CB 0.240 31.755 31.823 -0.513 0.000 1.001 435 V HN 0.364 nan 8.190 nan 0.000 0.476 436 K N 3.815 124.258 120.400 0.072 0.000 2.292 436 K HA 0.406 4.755 4.320 0.048 0.000 0.257 436 K C -0.246 176.427 176.600 0.121 0.000 0.940 436 K CA -0.864 55.466 56.287 0.072 0.000 0.811 436 K CB 1.751 34.269 32.500 0.031 0.000 1.120 436 K HN 0.512 nan 8.250 nan 0.000 0.428 437 N N 0.948 119.710 118.700 0.103 0.000 2.317 437 N HA -0.017 4.752 4.740 0.048 0.000 0.245 437 N C 1.068 176.577 175.510 -0.002 0.000 1.294 437 N CA -0.169 52.931 53.050 0.083 0.000 0.924 437 N CB 1.103 39.645 38.487 0.092 0.000 1.186 437 N HN 0.318 nan 8.380 nan 0.000 0.495 438 V N 0.803 120.698 119.914 -0.032 0.000 2.568 438 V HA -0.215 3.934 4.120 0.048 0.000 0.253 438 V C 2.058 178.137 176.094 -0.025 0.000 1.072 438 V CA 2.684 64.954 62.300 -0.050 0.000 1.084 438 V CB -0.944 30.844 31.823 -0.058 0.000 0.676 438 V HN 0.943 nan 8.190 nan 0.000 0.469 439 T N -3.045 111.506 114.554 -0.006 0.000 3.072 439 T HA 0.185 4.564 4.350 0.048 0.000 0.266 439 T C 1.612 176.313 174.700 0.002 0.000 1.127 439 T CA 1.103 63.203 62.100 0.000 0.000 1.107 439 T CB 0.217 69.091 68.868 0.010 0.000 0.910 439 T HN 1.219 nan 8.240 nan 0.000 0.513 440 G N 1.039 109.840 108.800 0.002 0.000 2.199 440 G HA2 -0.067 3.922 3.960 0.048 0.000 0.254 440 G HA3 -0.067 3.922 3.960 0.048 0.000 0.254 440 G C 0.295 175.206 174.900 0.018 0.000 0.982 440 G CA -0.080 45.023 45.100 0.005 0.000 0.632 440 G HN 1.223 nan 8.290 nan 0.000 0.529 441 A N 0.502 123.337 122.820 0.025 0.000 2.388 441 A HA 0.716 5.065 4.320 0.048 0.000 0.257 441 A C 0.768 178.378 177.584 0.045 0.000 1.095 441 A CA -0.255 51.803 52.037 0.035 0.000 0.791 441 A CB 0.383 19.404 19.000 0.036 0.000 1.029 441 A HN 0.844 nan 8.150 nan 0.000 0.489 442 L N 2.035 123.290 121.223 0.052 0.000 2.456 442 L HA 0.142 4.511 4.340 0.048 0.000 0.272 442 L C -0.118 176.776 176.870 0.041 0.000 1.189 442 L CA 0.285 55.157 54.840 0.054 0.000 0.846 442 L CB 0.372 42.489 42.059 0.097 0.000 1.111 442 L HN 0.546 nan 8.230 nan 0.000 0.475 443 I N 2.828 123.389 120.570 -0.015 0.000 2.331 443 I HA 0.273 4.472 4.170 0.048 0.000 0.292 443 I C 0.573 176.611 176.117 -0.132 0.000 0.998 443 I CA -0.337 60.944 61.300 -0.032 0.000 1.267 443 I CB 1.588 39.566 38.000 -0.037 0.000 1.386 443 I HN 0.656 nan 8.210 nan 0.000 0.476 444 A N 8.538 131.286 122.820 -0.120 0.000 2.477 444 A HA 0.384 4.733 4.320 0.048 0.000 0.246 444 A C -2.299 175.105 177.584 -0.301 0.000 1.078 444 A CA -0.938 50.895 52.037 -0.339 0.000 0.770 444 A CB -0.559 18.394 19.000 -0.078 0.000 1.011 444 A HN 0.420 nan 8.150 nan 0.000 0.494 445 P HA 0.172 nan 4.420 nan 0.000 0.267 445 P C 0.619 177.877 177.300 -0.070 0.000 1.200 445 P CA 0.688 63.688 63.100 -0.167 0.000 0.772 445 P CB 0.886 32.421 31.700 -0.275 0.000 0.855 446 A N 2.232 125.059 122.820 0.011 0.000 1.911 446 A HA 0.147 4.496 4.320 0.048 0.000 0.212 446 A C 0.874 178.454 177.584 -0.007 0.000 1.189 446 A CA 1.692 53.726 52.037 -0.005 0.000 0.639 446 A CB -0.657 18.332 19.000 -0.018 0.000 0.839 446 A HN 0.603 nan 8.150 nan 0.000 0.449 447 T N -2.592 111.969 114.554 0.012 0.000 2.903 447 T HA 0.708 5.087 4.350 0.048 0.000 0.299 447 T C -0.967 173.775 174.700 0.070 0.000 1.093 447 T CA -0.590 61.523 62.100 0.022 0.000 1.002 447 T CB 1.491 70.365 68.868 0.011 0.000 1.127 447 T HN 0.193 nan 8.240 nan 0.000 0.488 448 I N 2.587 123.198 120.570 0.067 0.000 2.478 448 I HA 0.379 4.578 4.170 0.048 0.000 0.287 448 I C 0.677 176.914 176.117 0.200 0.000 1.042 448 I CA -0.972 60.405 61.300 0.128 0.000 1.067 448 I CB 2.332 40.290 38.000 -0.069 0.000 1.233 448 I HN 0.972 nan 8.210 nan 0.000 0.431 449 S N 3.821 119.723 115.700 0.337 0.000 2.580 449 S HA 0.052 4.551 4.470 0.048 0.000 0.266 449 S C 0.529 175.349 174.600 0.366 0.000 1.354 449 S CA -0.043 58.324 58.200 0.277 0.000 1.008 449 S CB 0.491 63.807 63.200 0.194 0.000 0.898 449 S HN 0.828 nan 8.310 nan 0.000 0.555 450 D N 0.416 120.944 120.400 0.214 0.000 2.811 450 D HA -0.189 4.480 4.640 0.048 0.000 0.231 450 D C 0.960 177.409 176.300 0.248 0.000 1.157 450 D CA 1.284 55.413 54.000 0.215 0.000 0.716 450 D CB -1.762 39.166 40.800 0.214 0.000 1.077 450 D HN 1.504 nan 8.370 nan 0.000 0.428 451 G N -0.837 108.060 108.800 0.160 0.000 2.166 451 G HA2 -0.243 3.746 3.960 0.048 0.000 0.260 451 G HA3 -0.243 3.746 3.960 0.048 0.000 0.260 451 G C 0.779 175.700 174.900 0.035 0.000 0.986 451 G CA 0.805 45.956 45.100 0.085 0.000 0.683 451 G HN 0.827 nan 8.290 nan 0.000 0.527 452 G N -0.802 107.996 108.800 -0.002 0.000 2.699 452 G HA2 0.565 4.554 3.960 0.048 0.000 0.246 452 G HA3 0.565 4.554 3.960 0.048 0.000 0.246 452 G C 0.171 174.891 174.900 -0.300 0.000 1.219 452 G CA 0.868 45.751 45.100 -0.362 0.000 0.866 452 G HN 1.056 nan 8.290 nan 0.000 0.572 453 S N -1.569 113.915 115.700 -0.360 0.000 2.618 453 S HA 0.516 5.015 4.470 0.048 0.000 0.277 453 S C -1.802 172.689 174.600 -0.182 0.000 1.138 453 S CA -0.442 57.637 58.200 -0.203 0.000 0.844 453 S CB 1.877 64.998 63.200 -0.130 0.000 1.127 453 S HN 0.604 nan 8.310 nan 0.000 0.474 454 Y N 1.430 121.585 120.300 -0.241 0.000 2.350 454 Y HA 0.585 5.164 4.550 0.049 0.000 0.338 454 Y C -0.847 174.960 175.900 -0.155 0.000 0.961 454 Y CA -0.471 57.493 58.100 -0.227 0.000 1.100 454 Y CB 1.465 39.800 38.460 -0.208 0.000 1.179 454 Y HN 0.585 nan 8.280 nan 0.000 0.454 455 T N 6.338 120.521 114.554 -0.617 0.000 2.930 455 T HA 0.147 4.526 4.350 0.048 0.000 0.313 455 T C -0.746 173.487 174.700 -0.779 0.000 1.019 455 T CA -0.780 60.940 62.100 -0.634 0.000 1.004 455 T CB 0.705 69.390 68.868 -0.304 0.000 0.987 455 T HN 0.704 nan 8.240 nan 0.000 0.456 456 E N 4.565 124.197 120.200 -0.946 0.000 2.529 456 E HA -0.017 4.361 4.350 0.048 0.000 0.259 456 E C -1.314 175.106 176.600 -0.300 0.000 0.966 456 E CA -0.979 55.029 56.400 -0.654 0.000 0.937 456 E CB 0.654 30.181 29.700 -0.288 0.000 0.923 456 E HN 0.282 nan 8.360 nan 0.000 0.468 457 P HA 0.189 nan 4.420 nan 0.000 0.268 457 P C -0.999 176.314 177.300 0.022 0.000 1.329 457 P CA -0.006 63.068 63.100 -0.044 0.000 0.899 457 P CB 0.460 32.172 31.700 0.020 0.000 1.378 458 D N 0.880 121.207 120.400 -0.121 0.000 2.168 458 D HA 0.320 4.989 4.640 0.048 0.000 0.246 458 D C 0.253 176.511 176.300 -0.070 0.000 1.050 458 D CA -0.370 53.595 54.000 -0.058 0.000 0.857 458 D CB 2.169 42.927 40.800 -0.070 0.000 1.169 458 D HN 0.069 nan 8.370 nan 0.000 0.453 459 I N 1.384 121.903 120.570 -0.086 0.000 2.359 459 I HA 0.201 4.400 4.170 0.048 0.000 0.294 459 I C 0.488 176.354 176.117 -0.418 0.000 0.987 459 I CA -0.339 60.769 61.300 -0.320 0.000 1.225 459 I CB 1.477 39.132 38.000 -0.576 0.000 1.366 459 I HN 0.263 nan 8.210 nan 0.000 0.466 460 T N 1.671 115.917 114.554 -0.513 0.000 2.861 460 T HA 0.526 4.905 4.350 0.048 0.000 0.287 460 T C -1.137 173.352 174.700 -0.350 0.000 1.003 460 T CA -0.783 61.155 62.100 -0.270 0.000 0.977 460 T CB 1.408 70.201 68.868 -0.126 0.000 0.996 460 T HN 0.431 nan 8.240 nan 0.000 0.448 461 W N 2.238 123.539 121.300 0.002 0.000 2.785 461 W HA 0.424 5.112 4.660 0.048 0.000 0.333 461 W C -0.182 176.335 176.519 -0.002 0.000 1.062 461 W CA -0.837 56.512 57.345 0.007 0.000 1.233 461 W CB 2.115 31.587 29.460 0.020 0.000 1.413 461 W HN 0.699 nan 8.180 nan 0.000 0.489 462 N N 3.615 122.440 118.700 0.207 0.000 2.422 462 N HA 0.354 5.123 4.740 0.048 0.000 0.266 462 N C -1.450 174.150 175.510 0.150 0.000 1.007 462 N CA -0.002 53.125 53.050 0.129 0.000 0.941 462 N CB 0.796 39.329 38.487 0.077 0.000 1.115 462 N HN 0.470 nan 8.380 nan 0.000 0.492 463 L N 6.056 127.354 121.223 0.125 0.000 2.417 463 L HA 0.350 4.719 4.340 0.048 0.000 0.259 463 L C -1.628 175.346 176.870 0.174 0.000 1.023 463 L CA -1.655 53.281 54.840 0.160 0.000 0.901 463 L CB 1.918 44.104 42.059 0.211 0.000 1.227 463 L HN 0.385 nan 8.230 nan 0.000 0.454 464 P HA -0.120 nan 4.420 nan 0.000 0.215 464 P C 0.301 177.701 177.300 0.167 0.000 1.157 464 P CA 1.022 64.197 63.100 0.124 0.000 0.868 464 P CB 0.240 31.992 31.700 0.086 0.000 0.788 465 S N -2.508 113.286 115.700 0.156 0.000 2.607 465 S HA 0.382 4.881 4.470 0.048 0.000 0.303 465 S C -0.783 173.865 174.600 0.080 0.000 1.086 465 S CA -0.991 57.289 58.200 0.134 0.000 0.995 465 S CB 0.570 63.809 63.200 0.066 0.000 1.084 465 S HN 0.053 nan 8.310 nan 0.000 0.507 466 Y N 1.896 122.058 120.300 -0.230 0.000 2.717 466 Y HA 0.381 4.960 4.550 0.048 0.000 0.330 466 Y C 0.263 175.918 175.900 -0.409 0.000 1.217 466 Y CA 0.892 58.542 58.100 -0.749 0.000 1.506 466 Y CB 0.201 38.268 38.460 -0.655 0.000 1.268 466 Y HN 0.882 nan 8.280 nan 0.000 0.561 467 T N 5.294 119.180 114.554 -1.112 0.000 2.893 467 T HA 0.264 4.643 4.350 0.048 0.000 0.293 467 T C 0.484 174.587 174.700 -0.994 0.000 1.027 467 T CA -0.826 60.762 62.100 -0.854 0.000 0.988 467 T CB 1.001 69.650 68.868 -0.367 0.000 1.043 467 T HN 0.768 nan 8.240 nan 0.000 0.461 468 N N 2.145 120.417 118.700 -0.713 0.000 2.381 468 N HA 0.096 4.864 4.740 0.048 0.000 0.182 468 N C 0.137 175.510 175.510 -0.228 0.000 1.025 468 N CA 0.749 53.570 53.050 -0.381 0.000 0.888 468 N CB 0.104 38.478 38.487 -0.189 0.000 0.965 468 N HN 0.854 nan 8.380 nan 0.000 0.438 469 E N -2.071 117.978 120.200 -0.252 0.000 2.396 469 E HA 0.428 4.806 4.350 0.048 0.000 0.280 469 E C -1.371 175.062 176.600 -0.280 0.000 1.065 469 E CA -0.955 55.314 56.400 -0.218 0.000 0.831 469 E CB 1.351 30.960 29.700 -0.153 0.000 1.272 469 E HN -0.145 nan 8.360 nan 0.000 0.443 470 V N -1.328 118.372 119.914 -0.358 0.000 3.167 470 V HA 0.965 5.113 4.120 0.048 0.000 0.310 470 V C -0.536 175.407 176.094 -0.251 0.000 1.207 470 V CA -0.091 61.929 62.300 -0.467 0.000 1.059 470 V CB 1.315 32.403 31.823 -1.224 0.000 1.079 470 V HN 1.188 nan 8.190 nan 0.000 0.446 471 S N 0.133 115.825 115.700 -0.013 0.000 2.615 471 S HA 0.906 5.405 4.470 0.048 0.000 0.269 471 S C -1.311 173.507 174.600 0.365 0.000 1.161 471 S CA -0.401 57.850 58.200 0.085 0.000 0.817 471 S CB 1.772 64.935 63.200 -0.062 0.000 1.131 471 S HN 2.374 nan 8.310 nan 0.000 0.467 472 Y N -1.622 118.726 120.300 0.079 0.000 2.638 472 Y HA 0.859 5.438 4.550 0.048 0.000 0.335 472 Y C -0.600 175.274 175.900 -0.043 0.000 1.155 472 Y CA -0.565 57.568 58.100 0.055 0.000 1.046 472 Y CB 1.025 39.535 38.460 0.083 0.000 1.303 472 Y HN 1.078 nan 8.280 nan 0.000 0.460 473 T N -0.065 114.540 114.554 0.085 0.000 2.916 473 T HA 0.848 5.227 4.350 0.048 0.000 0.292 473 T C -1.193 173.553 174.700 0.077 0.000 1.064 473 T CA -0.683 61.361 62.100 -0.094 0.000 1.011 473 T CB 2.009 70.778 68.868 -0.165 0.000 1.152 473 T HN 1.137 nan 8.240 nan 0.000 0.510 474 F N -1.525 118.335 119.950 -0.151 0.000 2.631 474 F HA 0.851 5.407 4.527 0.049 0.000 0.308 474 F C -0.727 174.962 175.800 -0.186 0.000 1.097 474 F CA -1.066 56.844 58.000 -0.150 0.000 0.952 474 F CB 1.821 40.721 39.000 -0.167 0.000 1.307 474 F HN 0.761 nan 8.300 nan 0.000 0.450 475 S N 2.069 117.758 115.700 -0.019 0.000 2.614 475 S HA 0.463 4.962 4.470 0.048 0.000 0.259 475 S C -1.967 172.661 174.600 0.046 0.000 1.118 475 S CA -0.243 57.912 58.200 -0.076 0.000 1.065 475 S CB 1.032 64.159 63.200 -0.122 0.000 1.121 475 S HN 0.932 nan 8.310 nan 0.000 0.458 476 Q N 4.918 124.785 119.800 0.112 0.000 2.337 476 Q HA 0.547 4.916 4.340 0.048 0.000 0.260 476 Q C -2.908 173.182 176.000 0.149 0.000 0.982 476 Q CA -1.712 54.177 55.803 0.143 0.000 0.734 476 Q CB 1.768 30.635 28.738 0.214 0.000 1.272 476 Q HN 0.352 nan 8.270 nan 0.000 0.461 477 P HA 0.075 nan 4.420 nan 0.000 0.266 477 P C -1.264 176.088 177.300 0.087 0.000 1.193 477 P CA -0.137 63.007 63.100 0.073 0.000 0.770 477 P CB 0.877 32.600 31.700 0.039 0.000 0.836 478 V N 2.348 122.304 119.914 0.070 0.000 3.048 478 V HA 0.484 4.633 4.120 0.048 0.000 0.303 478 V C -1.198 174.904 176.094 0.012 0.000 1.214 478 V CA -0.241 62.089 62.300 0.050 0.000 0.984 478 V CB 2.645 34.509 31.823 0.069 0.000 1.054 478 V HN 0.471 nan 8.190 nan 0.000 0.430 479 T N 7.158 121.711 114.554 -0.001 0.000 2.829 479 T HA 0.683 5.062 4.350 0.048 0.000 0.280 479 T C -0.625 174.060 174.700 -0.025 0.000 0.999 479 T CA -0.176 61.913 62.100 -0.019 0.000 0.983 479 T CB 1.157 70.015 68.868 -0.017 0.000 0.968 479 T HN 0.552 nan 8.240 nan 0.000 0.446 480 I N 2.826 123.374 120.570 -0.037 0.000 2.411 480 I HA 0.507 4.706 4.170 0.048 0.000 0.284 480 I C 1.139 177.236 176.117 -0.033 0.000 1.012 480 I CA -0.475 60.802 61.300 -0.037 0.000 1.119 480 I CB 1.127 39.099 38.000 -0.048 0.000 1.261 480 I HN 0.912 nan 8.210 nan 0.000 0.448 481 G N 6.459 115.244 108.800 -0.024 0.000 2.601 481 G HA2 -0.326 3.663 3.960 0.048 0.000 0.306 481 G HA3 -0.326 3.663 3.960 0.048 0.000 0.306 481 G C 0.591 175.477 174.900 -0.023 0.000 1.172 481 G CA 0.428 45.517 45.100 -0.019 0.000 0.966 481 G HN 0.639 nan 8.290 nan 0.000 0.542 482 K N 1.120 121.502 120.400 -0.030 0.000 2.506 482 K HA 0.437 4.786 4.320 0.048 0.000 0.204 482 K C 0.687 177.250 176.600 -0.061 0.000 1.045 482 K CA 0.424 56.689 56.287 -0.036 0.000 1.074 482 K CB 1.446 33.929 32.500 -0.028 0.000 0.842 482 K HN 0.665 nan 8.250 nan 0.000 0.514 483 G N 0.798 109.557 108.800 -0.069 0.000 2.368 483 G HA2 0.367 4.356 3.960 0.048 0.000 0.320 483 G HA3 0.367 4.356 3.960 0.048 0.000 0.320 483 G C -0.649 174.204 174.900 -0.079 0.000 1.158 483 G CA -0.102 44.938 45.100 -0.100 0.000 0.912 483 G HN -0.107 nan 8.290 nan 0.000 0.456 484 T N 0.896 115.400 114.554 -0.084 0.000 2.841 484 T HA 0.753 5.131 4.350 0.048 0.000 0.283 484 T C -0.191 174.477 174.700 -0.053 0.000 1.000 484 T CA -0.404 61.663 62.100 -0.055 0.000 0.977 484 T CB 2.073 70.914 68.868 -0.045 0.000 0.979 484 T HN 0.654 nan 8.240 nan 0.000 0.446 485 T N 0.652 115.192 114.554 -0.024 0.000 2.731 485 T HA 0.549 4.928 4.350 0.048 0.000 0.300 485 T C -1.293 173.423 174.700 0.027 0.000 1.283 485 T CA -0.451 61.642 62.100 -0.012 0.000 1.005 485 T CB 1.640 70.498 68.868 -0.016 0.000 1.420 485 T HN 0.481 nan 8.240 nan 0.000 0.503 486 T N 2.732 117.306 114.554 0.034 0.000 2.756 486 T HA 0.457 4.836 4.350 0.048 0.000 0.290 486 T C -0.967 173.824 174.700 0.152 0.000 0.985 486 T CA -0.264 61.877 62.100 0.067 0.000 0.955 486 T CB 0.004 68.876 68.868 0.007 0.000 0.930 486 T HN 0.405 nan 8.240 nan 0.000 0.451 487 F N 5.420 125.400 119.950 0.051 0.000 2.434 487 F HA 0.476 5.032 4.527 0.048 0.000 0.358 487 F C 0.420 176.332 175.800 0.186 0.000 1.136 487 F CA -1.154 56.931 58.000 0.143 0.000 1.157 487 F CB -0.503 38.616 39.000 0.199 0.000 1.167 487 F HN 0.509 nan 8.300 nan 0.000 0.539 488 S N 3.867 119.451 115.700 -0.193 0.000 2.595 488 S HA 1.025 5.524 4.470 0.048 0.000 0.281 488 S C -0.457 173.397 174.600 -1.244 0.000 1.117 488 S CA -0.289 57.417 58.200 -0.823 0.000 0.873 488 S CB 1.777 64.710 63.200 -0.445 0.000 1.108 488 S HN 1.133 nan 8.310 nan 0.000 0.477 489 G N 0.007 107.652 108.800 -1.925 0.000 2.441 489 G HA2 0.575 4.564 3.960 0.048 0.000 0.294 489 G HA3 0.575 4.564 3.960 0.048 0.000 0.294 489 G C -1.694 172.676 174.900 -0.883 0.000 1.393 489 G CA -0.636 43.794 45.100 -1.117 0.000 0.796 489 G HN 0.849 nan 8.290 nan 0.000 0.494 490 T N 0.262 114.475 114.554 -0.567 0.000 2.841 490 T HA 0.579 4.958 4.350 0.048 0.000 0.285 490 T C -0.639 173.653 174.700 -0.679 0.000 0.991 490 T CA -0.353 61.447 62.100 -0.500 0.000 0.966 490 T CB 1.684 70.358 68.868 -0.323 0.000 0.962 490 T HN 0.567 nan 8.240 nan 0.000 0.438 491 V N 3.767 123.151 119.914 -0.882 0.000 2.384 491 V HA 0.455 4.604 4.120 0.048 0.000 0.287 491 V C 0.295 176.003 176.094 -0.644 0.000 1.020 491 V CA -0.693 60.922 62.300 -1.143 0.000 0.850 491 V CB 1.635 32.456 31.823 -1.670 0.000 0.987 491 V HN 0.959 nan 8.190 nan 0.000 0.436 492 T N 4.548 118.836 114.554 -0.443 0.000 2.795 492 T HA 0.412 4.791 4.350 0.048 0.000 0.282 492 T C -0.312 174.310 174.700 -0.132 0.000 0.980 492 T CA -0.296 61.670 62.100 -0.223 0.000 1.012 492 T CB 1.323 70.097 68.868 -0.155 0.000 0.936 492 T HN 0.646 nan 8.240 nan 0.000 0.457 493 Q N 4.192 123.932 119.800 -0.099 0.000 2.456 493 Q HA 0.375 4.744 4.340 0.048 0.000 0.252 493 Q C -2.791 173.149 176.000 -0.100 0.000 1.042 493 Q CA -2.344 53.426 55.803 -0.056 0.000 0.766 493 Q CB 0.973 29.688 28.738 -0.038 0.000 1.196 493 Q HN 0.234 nan 8.270 nan 0.000 0.504 494 P HA 0.096 nan 4.420 nan 0.000 0.268 494 P C -0.996 176.287 177.300 -0.027 0.000 1.205 494 P CA 0.165 63.240 63.100 -0.040 0.000 0.771 494 P CB 0.606 32.307 31.700 0.001 0.000 0.858 495 L N 3.452 124.657 121.223 -0.030 0.000 2.333 495 L HA 0.474 4.843 4.340 0.048 0.000 0.280 495 L C 0.711 177.653 176.870 0.119 0.000 1.004 495 L CA -0.813 54.053 54.840 0.043 0.000 0.820 495 L CB 1.324 43.416 42.059 0.055 0.000 1.247 495 L HN 0.308 nan 8.230 nan 0.000 0.416 496 K N 2.424 122.912 120.400 0.147 0.000 2.159 496 K HA 0.881 5.230 4.320 0.048 0.000 0.266 496 K C -0.695 176.030 176.600 0.208 0.000 0.975 496 K CA -0.581 55.799 56.287 0.156 0.000 0.865 496 K CB 2.341 34.900 32.500 0.098 0.000 1.087 496 K HN 0.540 nan 8.250 nan 0.000 0.446 497 A N 0.000 122.926 122.820 0.177 0.000 2.254 497 A HA 0.000 4.349 4.320 0.048 0.000 0.244 497 A CA 0.000 52.111 52.037 0.124 0.000 0.836 497 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486