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 3dbr_1_A DATA FIRST_RESID 6 DATA SEQUENCE KLLKEQKYDR QLRLWGDHGQ EALESAHVCL INATATGTEI LKNLVLPGIG DATA SEQUENCE SFTIIDGNQV SGEDAGNNFF LQRSSIGKNR AEAAMEFLQE LNSDVSGSFV DATA SEQUENCE EESPENLLDN DPSFFCRFTV VVATQLPEST SLRLADVLWN SQIPLLICRT DATA SEQUENCE YGLVGYMRII IKEHPVIESH PDNALEDLRL DKPFPELREH FQSYDXXXXX DATA SEQUENCE XXDHSHTPWI VIIAKYLAQW YSETNGRIPK TYKEKEDFRD LIRQGILKXX DATA SEQUENCE XXXPEDEENF EEAIKNVNTA LNTTQIPSSI EDIFNDDRCI NITKQTPSFW DATA SEQUENCE ILARALKEFV AKEGQGNLPV RGTIPDMIAD SGKYIKLQNV YREKAKKDAA DATA SEQUENCE AVGNHVAKLL QSIGQAPESI SEKELKLLCS NSAFLRVVRC RSLAEEYGLD DATA SEQUENCE TINKDEIISS MDNPDNEIVL YLMLRAVDRF HKQQGRYPGV SNYQVEEDIG DATA SEQUENCE KLKSCLTGFL QEYGLSVMVK DDYVHEFCRY GAAEPHTIAA FLGGAAAQEV DATA SEQUENCE IKIITKQFVI FNNTYIYSGM SQTSATFQL 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.583 176.600 -0.029 0.000 0.988 6 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 6 K CB 0.000 32.494 32.500 -0.009 0.000 1.064 7 L N 2.512 123.721 121.223 -0.023 0.000 2.610 7 L HA 0.173 4.513 4.340 -0.000 0.000 0.232 7 L C 1.620 178.466 176.870 -0.040 0.000 1.149 7 L CA 0.868 55.694 54.840 -0.024 0.000 0.872 7 L CB -0.041 42.009 42.059 -0.014 0.000 0.992 7 L HN 0.345 nan 8.230 nan 0.000 0.447 8 L N -1.066 120.127 121.223 -0.049 0.000 2.209 8 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 8 L C 2.337 179.138 176.870 -0.114 0.000 1.094 8 L CA 1.436 56.238 54.840 -0.063 0.000 0.790 8 L CB -0.484 41.546 42.059 -0.048 0.000 0.932 8 L HN 0.224 nan 8.230 nan 0.000 0.447 9 K N -0.289 120.027 120.400 -0.140 0.000 2.062 9 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 9 K C 2.079 178.474 176.600 -0.341 0.000 1.051 9 K CA 1.370 57.493 56.287 -0.273 0.000 0.941 9 K CB -0.133 32.241 32.500 -0.210 0.000 0.719 9 K HN 0.442 nan 8.250 nan 0.000 0.440 10 E N 0.595 120.700 120.200 -0.159 0.000 2.209 10 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 10 E C 1.803 178.358 176.600 -0.075 0.000 0.993 10 E CA 1.267 57.620 56.400 -0.079 0.000 0.819 10 E CB 0.079 29.770 29.700 -0.015 0.000 0.745 10 E HN 0.413 nan 8.360 nan 0.000 0.477 11 Q N 0.173 119.917 119.800 -0.094 0.000 2.084 11 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 11 Q C 2.011 177.979 176.000 -0.054 0.000 0.978 11 Q CA 1.964 57.730 55.803 -0.062 0.000 0.844 11 Q CB -0.114 28.590 28.738 -0.057 0.000 0.898 11 Q HN 0.307 nan 8.270 nan 0.000 0.426 12 K N -1.338 118.991 120.400 -0.119 0.000 2.404 12 K HA -0.021 4.298 4.320 -0.000 0.000 0.194 12 K C 0.531 177.242 176.600 0.186 0.000 1.023 12 K CA 0.585 56.852 56.287 -0.033 0.000 1.094 12 K CB 0.306 32.763 32.500 -0.072 0.000 0.841 12 K HN 0.263 nan 8.250 nan 0.000 0.523 13 Y N 0.627 120.930 120.300 0.004 0.000 2.557 13 Y HA 0.054 4.603 4.550 -0.000 0.000 0.247 13 Y C 1.369 177.235 175.900 -0.055 0.000 1.164 13 Y CA -0.744 57.353 58.100 -0.005 0.000 1.218 13 Y CB 0.487 38.976 38.460 0.048 0.000 1.210 13 Y HN 0.257 nan 8.280 nan 0.000 0.529 14 D N 1.417 121.870 120.400 0.088 0.000 2.190 14 D HA -0.198 4.442 4.640 -0.000 0.000 0.200 14 D C 1.742 178.014 176.300 -0.047 0.000 0.992 14 D CA 1.180 55.188 54.000 0.013 0.000 0.854 14 D CB 0.351 41.152 40.800 0.001 0.000 0.936 14 D HN 0.248 nan 8.370 nan 0.000 0.462 15 R N 0.094 120.558 120.500 -0.061 0.000 2.119 15 R HA -0.061 4.279 4.340 -0.000 0.000 0.222 15 R C 2.369 178.519 176.300 -0.250 0.000 1.088 15 R CA 0.915 56.940 56.100 -0.125 0.000 0.984 15 R CB -0.466 29.776 30.300 -0.098 0.000 0.884 15 R HN 0.615 nan 8.270 nan 0.000 0.447 16 Q N -0.332 119.266 119.800 -0.336 0.000 2.402 16 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 16 Q C 1.815 177.268 176.000 -0.911 0.000 0.919 16 Q CA 0.303 55.654 55.803 -0.753 0.000 0.923 16 Q CB -0.063 28.163 28.738 -0.853 0.000 1.048 16 Q HN 0.198 nan 8.270 nan 0.000 0.515 17 L N 0.630 121.605 121.223 -0.415 0.000 2.291 17 L HA 0.013 4.353 4.340 -0.000 0.000 0.214 17 L C 2.223 178.970 176.870 -0.206 0.000 1.120 17 L CA 0.758 55.453 54.840 -0.242 0.000 0.799 17 L CB -0.059 41.989 42.059 -0.019 0.000 0.925 17 L HN 0.187 nan 8.230 nan 0.000 0.446 18 R N -0.542 119.827 120.500 -0.218 0.000 2.316 18 R HA 0.006 4.346 4.340 -0.000 0.000 0.202 18 R C 1.641 177.837 176.300 -0.174 0.000 1.029 18 R CA 0.593 56.605 56.100 -0.146 0.000 1.018 18 R CB 0.123 30.348 30.300 -0.124 0.000 0.888 18 R HN 0.386 nan 8.270 nan 0.000 0.471 19 L N -1.712 119.326 121.223 -0.308 0.000 2.453 19 L HA 0.096 4.436 4.340 -0.000 0.000 0.190 19 L C 1.588 178.429 176.870 -0.049 0.000 1.093 19 L CA 0.293 54.996 54.840 -0.229 0.000 0.834 19 L CB -0.250 41.593 42.059 -0.361 0.000 1.090 19 L HN 0.299 nan 8.230 nan 0.000 0.489 20 W N 0.522 121.841 121.300 0.031 0.000 3.177 20 W HA 0.630 5.290 4.660 -0.000 0.000 0.309 20 W C 0.712 177.154 176.519 -0.128 0.000 1.224 20 W CA -0.291 57.056 57.345 0.004 0.000 1.718 20 W CB -0.979 28.514 29.460 0.055 0.000 1.078 20 W HN 0.156 nan 8.180 nan 0.000 0.618 21 G N 1.709 110.593 108.800 0.140 0.000 2.855 21 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.352 21 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.352 21 G C 0.415 175.464 174.900 0.249 0.000 1.415 21 G CA 0.126 45.338 45.100 0.186 0.000 0.871 21 G HN 0.139 nan 8.290 nan 0.000 0.543 22 D N 0.092 120.658 120.400 0.276 0.000 2.117 22 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 22 D C 2.136 178.582 176.300 0.242 0.000 0.987 22 D CA 2.068 56.216 54.000 0.247 0.000 0.829 22 D CB -0.410 40.513 40.800 0.204 0.000 0.961 22 D HN 0.753 nan 8.370 nan 0.000 0.460 23 H N -0.021 119.129 119.070 0.133 0.000 2.387 23 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 23 H C 2.172 177.554 175.328 0.090 0.000 1.090 23 H CA 1.548 57.652 56.048 0.094 0.000 1.332 23 H CB -1.029 28.774 29.762 0.070 0.000 1.386 23 H HN 0.148 nan 8.280 nan 0.000 0.516 24 G N 0.717 109.275 108.800 -0.405 0.000 2.414 24 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.215 24 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.215 24 G C 1.786 176.540 174.900 -0.243 0.000 1.188 24 G CA 0.978 45.897 45.100 -0.302 0.000 0.783 24 G HN 0.438 nan 8.290 nan 0.000 0.537 25 Q N 0.659 120.497 119.800 0.064 0.000 2.133 25 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 25 Q C 2.289 178.320 176.000 0.053 0.000 0.991 25 Q CA 2.422 58.322 55.803 0.163 0.000 0.867 25 Q CB -0.486 28.483 28.738 0.385 0.000 0.911 25 Q HN 0.700 nan 8.270 nan 0.000 0.417 26 E N -1.304 118.938 120.200 0.069 0.000 2.150 26 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 26 E C 1.708 178.315 176.600 0.012 0.000 0.985 26 E CA 0.946 57.382 56.400 0.061 0.000 0.814 26 E CB -0.266 29.487 29.700 0.088 0.000 0.752 26 E HN 0.454 nan 8.360 nan 0.000 0.466 27 A N 0.751 123.551 122.820 -0.033 0.000 1.898 27 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 27 A C 2.088 179.625 177.584 -0.079 0.000 1.181 27 A CA 1.085 53.091 52.037 -0.051 0.000 0.620 27 A CB -0.568 18.384 19.000 -0.080 0.000 0.819 27 A HN 0.365 nan 8.150 nan 0.000 0.442 28 L N 0.192 121.326 121.223 -0.148 0.000 2.027 28 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 28 L C 2.056 178.890 176.870 -0.060 0.000 1.074 28 L CA 2.092 56.836 54.840 -0.160 0.000 0.745 28 L CB -0.638 41.235 42.059 -0.309 0.000 0.898 28 L HN 0.490 nan 8.230 nan 0.000 0.433 29 E N -1.703 118.488 120.200 -0.015 0.000 2.510 29 E HA -0.104 4.246 4.350 -0.000 0.000 0.202 29 E C 0.592 177.208 176.600 0.027 0.000 1.072 29 E CA 0.570 56.992 56.400 0.037 0.000 0.883 29 E CB -0.029 29.723 29.700 0.086 0.000 0.818 29 E HN 0.248 nan 8.360 nan 0.000 0.548 30 S N 0.158 115.864 115.700 0.011 0.000 2.204 30 S HA 0.539 5.009 4.470 -0.000 0.000 0.178 30 S C -0.895 173.715 174.600 0.016 0.000 1.493 30 S CA -0.380 57.827 58.200 0.011 0.000 1.266 30 S CB 0.346 63.553 63.200 0.013 0.000 1.232 30 S HN 0.225 nan 8.310 nan 0.000 0.406 31 A N 1.636 124.476 122.820 0.032 0.000 2.594 31 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 31 A C -1.443 176.236 177.584 0.158 0.000 1.071 31 A CA -0.600 51.480 52.037 0.072 0.000 0.685 31 A CB 1.209 20.228 19.000 0.032 0.000 1.285 31 A HN 0.720 nan 8.150 nan 0.000 0.405 32 H N 0.790 119.920 119.070 0.100 0.000 2.646 32 H HA 0.591 5.147 4.556 -0.000 0.000 0.328 32 H C -1.324 174.122 175.328 0.196 0.000 0.998 32 H CA -0.630 55.528 56.048 0.183 0.000 1.225 32 H CB 1.426 31.334 29.762 0.245 0.000 1.457 32 H HN 0.474 nan 8.280 nan 0.000 0.505 33 V N 4.470 124.521 119.914 0.229 0.000 2.612 33 V HA 0.167 4.287 4.120 -0.000 0.000 0.301 33 V C -0.228 175.655 176.094 -0.352 0.000 1.046 33 V CA -0.562 61.716 62.300 -0.037 0.000 0.946 33 V CB 1.507 33.338 31.823 0.014 0.000 1.003 33 V HN 0.838 nan 8.190 nan 0.000 0.459 34 C N 7.053 125.994 119.300 -0.598 0.000 2.344 34 C HA 0.677 5.137 4.460 -0.000 0.000 0.326 34 C C -0.727 174.026 174.990 -0.395 0.000 1.201 34 C CA -0.788 57.724 59.018 -0.843 0.000 1.410 34 C CB 0.125 26.837 27.740 -1.712 0.000 2.070 34 C HN 0.802 nan 8.230 nan 0.000 0.445 35 L N 7.821 128.922 121.223 -0.203 0.000 2.264 35 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 35 L C 0.438 177.276 176.870 -0.053 0.000 1.044 35 L CA -0.110 54.670 54.840 -0.099 0.000 0.807 35 L CB 0.834 42.873 42.059 -0.034 0.000 1.192 35 L HN 0.646 nan 8.230 nan 0.000 0.425 36 I N 3.281 123.823 120.570 -0.046 0.000 2.494 36 I HA 0.114 4.284 4.170 -0.000 0.000 0.250 36 I C 0.665 176.815 176.117 0.054 0.000 1.112 36 I CA 0.581 61.892 61.300 0.018 0.000 1.438 36 I CB -0.892 37.113 38.000 0.008 0.000 1.111 36 I HN 0.678 nan 8.210 nan 0.000 0.431 37 N N 0.062 118.787 118.700 0.041 0.000 2.362 37 N HA 0.503 5.243 4.740 -0.000 0.000 0.298 37 N C -0.202 175.334 175.510 0.045 0.000 1.048 37 N CA -0.243 52.839 53.050 0.054 0.000 0.858 37 N CB 1.948 40.468 38.487 0.055 0.000 1.218 37 N HN 0.079 nan 8.380 nan 0.000 0.488 38 A N 1.723 124.574 122.820 0.052 0.000 3.215 38 A HA 0.216 4.535 4.320 -0.000 0.000 0.269 38 A C 0.691 178.304 177.584 0.048 0.000 1.517 38 A CA -0.502 51.563 52.037 0.047 0.000 1.221 38 A CB -0.992 18.041 19.000 0.055 0.000 1.160 38 A HN 0.715 nan 8.150 nan 0.000 0.620 39 T N -1.617 112.965 114.554 0.047 0.000 3.367 39 T HA 0.510 4.860 4.350 -0.000 0.000 0.330 39 T C 1.674 176.417 174.700 0.072 0.000 1.269 39 T CA 0.228 62.357 62.100 0.049 0.000 0.912 39 T CB 0.109 69.000 68.868 0.038 0.000 2.087 39 T HN 0.499 nan 8.240 nan 0.000 0.562 40 A N 0.167 123.036 122.820 0.081 0.000 1.935 40 A HA 0.116 4.436 4.320 -0.000 0.000 0.214 40 A C 2.450 180.099 177.584 0.109 0.000 1.178 40 A CA 1.432 53.555 52.037 0.143 0.000 0.640 40 A CB -1.536 17.572 19.000 0.180 0.000 0.825 40 A HN 0.767 nan 8.150 nan 0.000 0.447 41 T N 0.002 114.591 114.554 0.058 0.000 2.639 41 T HA -0.018 4.332 4.350 -0.000 0.000 0.261 41 T C 2.083 176.795 174.700 0.019 0.000 1.053 41 T CA 1.487 63.605 62.100 0.030 0.000 1.158 41 T CB -0.928 67.958 68.868 0.030 0.000 0.863 41 T HN 0.525 nan 8.240 nan 0.000 0.413 42 G N 0.599 109.410 108.800 0.019 0.000 2.513 42 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.219 42 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.219 42 G C 1.736 176.620 174.900 -0.026 0.000 1.160 42 G CA 1.773 46.870 45.100 -0.004 0.000 0.767 42 G HN 0.495 nan 8.290 nan 0.000 0.571 43 T N -0.199 114.364 114.554 0.015 0.000 2.788 43 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 43 T C 2.323 177.024 174.700 0.001 0.000 1.044 43 T CA 1.664 63.763 62.100 -0.002 0.000 1.139 43 T CB -0.182 68.778 68.868 0.155 0.000 0.867 43 T HN 0.221 nan 8.240 nan 0.000 0.454 44 E N 0.777 121.027 120.200 0.082 0.000 2.047 44 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 44 E C 2.295 178.873 176.600 -0.036 0.000 0.987 44 E CA 0.751 57.196 56.400 0.075 0.000 0.799 44 E CB -0.407 29.313 29.700 0.032 0.000 0.752 44 E HN 0.556 nan 8.360 nan 0.000 0.449 45 I N 0.814 121.344 120.570 -0.068 0.000 2.091 45 I HA -0.310 3.860 4.170 -0.000 0.000 0.239 45 I C 2.517 178.549 176.117 -0.142 0.000 1.061 45 I CA 0.892 62.129 61.300 -0.106 0.000 1.317 45 I CB -0.385 37.558 38.000 -0.095 0.000 1.031 45 I HN 0.130 nan 8.210 nan 0.000 0.401 46 L N 1.294 122.410 121.223 -0.179 0.000 2.079 46 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 46 L C 2.427 179.102 176.870 -0.324 0.000 1.081 46 L CA 1.892 56.562 54.840 -0.283 0.000 0.752 46 L CB -0.956 40.889 42.059 -0.358 0.000 0.896 46 L HN 0.155 nan 8.230 nan 0.000 0.433 47 K N -0.344 119.887 120.400 -0.281 0.000 2.280 47 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 47 K C 1.078 177.612 176.600 -0.109 0.000 1.047 47 K CA 1.042 57.197 56.287 -0.221 0.000 0.942 47 K CB -0.245 32.228 32.500 -0.046 0.000 0.739 47 K HN 0.474 nan 8.250 nan 0.000 0.457 48 N N 0.676 119.309 118.700 -0.111 0.000 2.314 48 N HA 0.058 4.797 4.740 -0.000 0.000 0.200 48 N C 1.111 176.559 175.510 -0.104 0.000 1.135 48 N CA 0.197 53.192 53.050 -0.092 0.000 0.835 48 N CB 0.513 38.937 38.487 -0.105 0.000 0.989 48 N HN 0.252 nan 8.380 nan 0.000 0.478 49 L N -1.256 119.887 121.223 -0.135 0.000 2.663 49 L HA 0.163 4.503 4.340 -0.000 0.000 0.218 49 L C 1.878 178.678 176.870 -0.117 0.000 1.043 49 L CA 0.230 54.991 54.840 -0.132 0.000 0.876 49 L CB -0.087 41.881 42.059 -0.152 0.000 1.263 49 L HN -0.169 nan 8.230 nan 0.000 0.486 50 V N 0.924 120.740 119.914 -0.162 0.000 2.261 50 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 50 V C 2.470 178.548 176.094 -0.027 0.000 1.047 50 V CA 1.872 64.105 62.300 -0.111 0.000 1.015 50 V CB -0.399 31.297 31.823 -0.212 0.000 0.642 50 V HN 0.293 nan 8.190 nan 0.000 0.446 51 L N 0.536 121.743 121.223 -0.028 0.000 2.021 51 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 51 L C 0.211 177.067 176.870 -0.024 0.000 1.074 51 L CA 2.209 57.059 54.840 0.017 0.000 0.760 51 L CB -1.731 40.339 42.059 0.017 0.000 0.889 51 L HN 0.402 nan 8.230 nan 0.000 0.433 52 P HA -0.058 nan 4.420 nan 0.000 0.230 52 P C 0.766 177.807 177.300 -0.431 0.000 1.158 52 P CA 1.647 64.622 63.100 -0.207 0.000 0.769 52 P CB 0.229 31.931 31.700 0.003 0.000 0.807 53 G N -0.039 108.659 108.800 -0.169 0.000 2.145 53 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.176 53 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.176 53 G C -0.075 174.835 174.900 0.017 0.000 1.013 53 G CA -0.276 44.816 45.100 -0.015 0.000 0.689 53 G HN 0.347 nan 8.290 nan 0.000 0.506 54 I N 1.049 121.614 120.570 -0.007 0.000 3.141 54 I HA 0.392 4.562 4.170 -0.000 0.000 0.295 54 I C 1.830 177.992 176.117 0.076 0.000 1.252 54 I CA 1.719 63.026 61.300 0.011 0.000 1.406 54 I CB 0.524 38.538 38.000 0.022 0.000 1.333 54 I HN 0.256 nan 8.210 nan 0.000 0.594 55 G N 4.170 113.011 108.800 0.068 0.000 2.484 55 G HA2 0.011 3.971 3.960 -0.000 0.000 0.215 55 G HA3 0.011 3.971 3.960 -0.000 0.000 0.215 55 G C 0.038 174.980 174.900 0.071 0.000 1.219 55 G CA 0.973 46.108 45.100 0.059 0.000 0.791 55 G HN 0.901 nan 8.290 nan 0.000 0.550 56 S N -1.433 114.334 115.700 0.111 0.000 2.565 56 S HA 0.657 5.127 4.470 -0.000 0.000 0.269 56 S C -1.080 173.819 174.600 0.499 0.000 1.153 56 S CA -0.968 57.306 58.200 0.123 0.000 0.835 56 S CB 1.902 64.935 63.200 -0.279 0.000 1.122 56 S HN 0.983 nan 8.310 nan 0.000 0.462 57 F N -1.464 118.680 119.950 0.323 0.000 2.601 57 F HA 0.886 5.413 4.527 -0.000 0.000 0.309 57 F C -1.135 174.800 175.800 0.225 0.000 1.089 57 F CA -0.756 57.385 58.000 0.235 0.000 0.940 57 F CB 1.729 40.771 39.000 0.071 0.000 1.273 57 F HN 0.533 nan 8.300 nan 0.000 0.450 58 T N 4.247 118.865 114.554 0.106 0.000 2.890 58 T HA 0.506 4.856 4.350 -0.000 0.000 0.295 58 T C -0.469 174.315 174.700 0.140 0.000 0.993 58 T CA -0.367 61.794 62.100 0.102 0.000 0.979 58 T CB 1.015 70.015 68.868 0.220 0.000 0.967 58 T HN 0.593 nan 8.240 nan 0.000 0.441 59 I N 3.867 124.591 120.570 0.258 0.000 2.322 59 I HA 0.330 4.499 4.170 -0.000 0.000 0.292 59 I C 0.136 176.397 176.117 0.240 0.000 1.060 59 I CA -0.486 60.953 61.300 0.231 0.000 1.309 59 I CB 0.570 38.726 38.000 0.259 0.000 1.415 59 I HN 0.495 nan 8.210 nan 0.000 0.492 60 I N 6.282 126.974 120.570 0.204 0.000 2.308 60 I HA 0.158 4.328 4.170 -0.000 0.000 0.293 60 I C -0.565 175.660 176.117 0.179 0.000 1.078 60 I CA 0.404 61.848 61.300 0.241 0.000 1.292 60 I CB 0.387 38.572 38.000 0.309 0.000 1.423 60 I HN 0.599 nan 8.210 nan 0.000 0.493 61 D N 4.741 125.240 120.400 0.165 0.000 2.548 61 D HA 0.275 4.915 4.640 -0.000 0.000 0.214 61 D C -0.160 176.199 176.300 0.098 0.000 1.345 61 D CA -0.333 53.738 54.000 0.118 0.000 0.945 61 D CB 1.402 42.258 40.800 0.093 0.000 1.499 61 D HN 0.482 nan 8.370 nan 0.000 0.579 62 G N 3.207 112.060 108.800 0.090 0.000 3.964 62 G HA2 0.334 4.294 3.960 -0.000 0.000 0.289 62 G HA3 0.334 4.294 3.960 -0.000 0.000 0.289 62 G C -0.316 174.619 174.900 0.058 0.000 1.176 62 G CA -0.466 44.678 45.100 0.072 0.000 1.553 62 G HN 0.338 nan 8.290 nan 0.000 0.588 63 N N -0.167 118.561 118.700 0.047 0.000 2.697 63 N HA 0.391 5.131 4.740 -0.000 0.000 0.272 63 N C -0.952 174.573 175.510 0.026 0.000 1.381 63 N CA -0.614 52.460 53.050 0.041 0.000 0.797 63 N CB 1.945 40.460 38.487 0.048 0.000 1.523 63 N HN 0.108 nan 8.380 nan 0.000 0.518 64 Q N 0.926 120.741 119.800 0.026 0.000 2.316 64 Q HA 0.347 4.687 4.340 -0.000 0.000 0.264 64 Q C -0.547 175.461 176.000 0.013 0.000 0.987 64 Q CA -0.678 55.135 55.803 0.016 0.000 0.852 64 Q CB 2.254 31.004 28.738 0.019 0.000 1.287 64 Q HN 0.328 nan 8.270 nan 0.000 0.448 65 V N 3.143 123.060 119.914 0.005 0.000 2.452 65 V HA -0.052 4.068 4.120 -0.000 0.000 0.286 65 V C 1.270 177.364 176.094 0.000 0.000 0.995 65 V CA 0.428 62.727 62.300 -0.002 0.000 1.116 65 V CB -0.486 31.331 31.823 -0.010 0.000 0.954 65 V HN 0.876 nan 8.190 nan 0.000 0.473 66 S N 5.007 120.708 115.700 0.003 0.000 2.549 66 S HA 0.361 4.831 4.470 -0.000 0.000 0.260 66 S C 1.485 176.081 174.600 -0.006 0.000 1.217 66 S CA 0.157 58.359 58.200 0.004 0.000 1.001 66 S CB 0.867 64.073 63.200 0.010 0.000 1.059 66 S HN 0.741 nan 8.310 nan 0.000 0.537 67 G N 0.033 108.830 108.800 -0.006 0.000 2.510 67 G HA2 0.058 4.018 3.960 -0.000 0.000 0.212 67 G HA3 0.058 4.018 3.960 -0.000 0.000 0.212 67 G C 1.171 176.059 174.900 -0.021 0.000 1.151 67 G CA 0.456 45.548 45.100 -0.013 0.000 0.817 67 G HN 0.890 nan 8.290 nan 0.000 0.534 68 E N 0.166 120.356 120.200 -0.017 0.000 2.476 68 E HA 0.114 4.464 4.350 -0.000 0.000 0.191 68 E C 0.590 177.176 176.600 -0.024 0.000 1.064 68 E CA 0.295 56.682 56.400 -0.023 0.000 0.866 68 E CB 0.217 29.905 29.700 -0.019 0.000 0.952 68 E HN 0.189 nan 8.360 nan 0.000 0.492 69 D N 0.749 121.136 120.400 -0.023 0.000 2.380 69 D HA 0.170 4.810 4.640 -0.000 0.000 0.212 69 D C 1.635 177.909 176.300 -0.043 0.000 1.021 69 D CA 0.899 54.887 54.000 -0.020 0.000 0.884 69 D CB 0.372 41.167 40.800 -0.009 0.000 1.001 69 D HN 0.287 nan 8.370 nan 0.000 0.506 70 A N -0.150 122.635 122.820 -0.058 0.000 2.178 70 A HA 0.312 4.632 4.320 -0.000 0.000 0.211 70 A C 2.053 179.575 177.584 -0.103 0.000 1.157 70 A CA 1.070 53.050 52.037 -0.094 0.000 0.780 70 A CB -0.264 18.684 19.000 -0.086 0.000 0.828 70 A HN 0.242 nan 8.150 nan 0.000 0.476 71 G N 0.870 109.624 108.800 -0.077 0.000 2.453 71 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 71 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 71 G C 0.923 175.766 174.900 -0.095 0.000 1.147 71 G CA 0.764 45.818 45.100 -0.077 0.000 0.802 71 G HN 0.798 nan 8.290 nan 0.000 0.535 72 N N -1.169 117.481 118.700 -0.083 0.000 2.282 72 N HA 0.111 4.851 4.740 -0.000 0.000 0.240 72 N C -0.537 174.917 175.510 -0.094 0.000 1.182 72 N CA -0.472 52.524 53.050 -0.091 0.000 0.874 72 N CB 0.346 38.832 38.487 -0.002 0.000 1.126 72 N HN 0.009 nan 8.380 nan 0.000 0.516 73 N N 0.671 119.301 118.700 -0.118 0.000 2.399 73 N HA 0.107 4.847 4.740 -0.000 0.000 0.284 73 N C -0.936 174.493 175.510 -0.136 0.000 1.025 73 N CA -0.572 52.453 53.050 -0.043 0.000 0.885 73 N CB 1.159 39.651 38.487 0.009 0.000 1.339 73 N HN 0.086 nan 8.380 nan 0.000 0.487 74 F N 3.119 122.857 119.950 -0.353 0.000 2.802 74 F HA 0.264 4.791 4.527 -0.000 0.000 0.300 74 F C 0.125 175.415 175.800 -0.852 0.000 1.168 74 F CA 0.410 58.052 58.000 -0.597 0.000 1.433 74 F CB 0.023 38.630 39.000 -0.655 0.000 1.115 74 F HN 0.437 nan 8.300 nan 0.000 0.582 75 F N 0.683 120.503 119.950 -0.217 0.000 2.735 75 F HA 0.355 4.882 4.527 -0.000 0.000 0.304 75 F C -0.602 174.743 175.800 -0.758 0.000 1.119 75 F CA -0.162 57.600 58.000 -0.396 0.000 1.280 75 F CB 0.196 39.156 39.000 -0.066 0.000 0.994 75 F HN -0.342 nan 8.300 nan 0.000 0.520 76 L N 0.706 121.539 121.223 -0.650 0.000 2.516 76 L HA 0.408 4.748 4.340 -0.000 0.000 0.267 76 L C -0.597 175.968 176.870 -0.509 0.000 0.957 76 L CA -0.618 53.876 54.840 -0.576 0.000 0.860 76 L CB 2.056 43.979 42.059 -0.226 0.000 1.265 76 L HN 0.033 nan 8.230 nan 0.000 0.403 77 Q N 1.439 120.957 119.800 -0.471 0.000 2.180 77 Q HA 0.322 4.662 4.340 -0.000 0.000 0.241 77 Q C 0.925 176.865 176.000 -0.101 0.000 0.970 77 Q CA -0.658 55.011 55.803 -0.223 0.000 0.919 77 Q CB 2.278 30.978 28.738 -0.064 0.000 1.222 77 Q HN 0.602 nan 8.270 nan 0.000 0.482 78 R N -0.514 119.948 120.500 -0.064 0.000 2.148 78 R HA -0.067 4.273 4.340 -0.000 0.000 0.227 78 R C 1.144 177.440 176.300 -0.007 0.000 1.103 78 R CA 1.687 57.766 56.100 -0.036 0.000 0.983 78 R CB -0.215 30.068 30.300 -0.030 0.000 0.874 78 R HN 0.470 nan 8.270 nan 0.000 0.451 79 S N 0.354 116.062 115.700 0.014 0.000 2.981 79 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 79 S C 0.651 175.284 174.600 0.054 0.000 0.983 79 S CA 0.161 58.383 58.200 0.036 0.000 1.051 79 S CB -0.023 63.209 63.200 0.052 0.000 0.814 79 S HN 0.528 nan 8.310 nan 0.000 0.518 80 S N -0.845 114.878 115.700 0.038 0.000 2.927 80 S HA 0.301 4.771 4.470 -0.000 0.000 0.246 80 S C -0.081 174.528 174.600 0.015 0.000 0.907 80 S CA -0.644 57.583 58.200 0.045 0.000 1.326 80 S CB -0.815 62.443 63.200 0.095 0.000 1.216 80 S HN 0.439 nan 8.310 nan 0.000 0.652 81 I N 3.217 123.788 120.570 0.002 0.000 2.578 81 I HA 0.436 4.606 4.170 -0.000 0.000 0.286 81 I C 1.311 177.430 176.117 0.003 0.000 1.126 81 I CA 1.251 62.548 61.300 -0.004 0.000 1.380 81 I CB -0.058 37.937 38.000 -0.008 0.000 1.408 81 I HN 0.633 nan 8.210 nan 0.000 0.532 82 G N 4.434 113.236 108.800 0.004 0.000 2.145 82 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.176 82 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.176 82 G C 0.007 174.912 174.900 0.007 0.000 1.013 82 G CA -0.478 44.627 45.100 0.007 0.000 0.689 82 G HN 0.582 nan 8.290 nan 0.000 0.506 83 K N -0.756 119.645 120.400 0.003 0.000 2.270 83 K HA 0.385 4.705 4.320 -0.000 0.000 0.248 83 K C 0.127 176.716 176.600 -0.017 0.000 1.076 83 K CA -0.930 55.354 56.287 -0.004 0.000 0.957 83 K CB 0.757 33.255 32.500 -0.003 0.000 1.400 83 K HN 0.078 nan 8.250 nan 0.000 0.573 84 N N 1.906 120.577 118.700 -0.049 0.000 2.411 84 N HA -0.008 4.732 4.740 -0.000 0.000 0.259 84 N C 0.731 176.194 175.510 -0.078 0.000 1.103 84 N CA 0.066 53.072 53.050 -0.074 0.000 0.954 84 N CB 0.679 39.073 38.487 -0.154 0.000 1.085 84 N HN 0.421 nan 8.380 nan 0.000 0.485 85 R N 3.349 123.830 120.500 -0.031 0.000 2.159 85 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 85 R C 1.444 177.735 176.300 -0.016 0.000 1.131 85 R CA 1.704 57.797 56.100 -0.010 0.000 0.982 85 R CB -0.041 30.268 30.300 0.014 0.000 0.868 85 R HN 0.703 nan 8.270 nan 0.000 0.453 86 A N 0.431 123.223 122.820 -0.047 0.000 1.878 86 A HA -0.123 4.197 4.320 -0.000 0.000 0.213 86 A C 1.945 179.420 177.584 -0.182 0.000 1.192 86 A CA 1.055 53.071 52.037 -0.035 0.000 0.619 86 A CB -0.361 18.662 19.000 0.038 0.000 0.837 86 A HN 0.491 nan 8.150 nan 0.000 0.446 87 E N 0.158 120.053 120.200 -0.510 0.000 2.150 87 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 87 E C 2.051 178.522 176.600 -0.215 0.000 0.985 87 E CA 0.910 56.842 56.400 -0.779 0.000 0.814 87 E CB -0.217 28.835 29.700 -1.080 0.000 0.752 87 E HN 0.493 nan 8.360 nan 0.000 0.466 88 A N 1.510 124.281 122.820 -0.083 0.000 1.877 88 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 88 A C 2.401 180.130 177.584 0.241 0.000 1.186 88 A CA 1.932 54.028 52.037 0.097 0.000 0.620 88 A CB -0.897 18.140 19.000 0.063 0.000 0.822 88 A HN 0.429 nan 8.150 nan 0.000 0.443 89 A N -0.851 122.059 122.820 0.150 0.000 1.828 89 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 89 A C 2.197 179.932 177.584 0.250 0.000 1.203 89 A CA 1.989 54.142 52.037 0.193 0.000 0.614 89 A CB -0.796 18.268 19.000 0.108 0.000 0.844 89 A HN 0.485 nan 8.150 nan 0.000 0.445 90 M N -0.379 119.356 119.600 0.226 0.000 2.221 90 M HA -0.353 4.127 4.480 -0.000 0.000 0.247 90 M C 1.979 178.450 176.300 0.285 0.000 1.077 90 M CA 2.674 58.168 55.300 0.322 0.000 1.064 90 M CB -0.798 31.983 32.600 0.302 0.000 1.325 90 M HN 0.649 nan 8.290 nan 0.000 0.405 91 E N -1.055 119.274 120.200 0.214 0.000 2.051 91 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 91 E C 1.759 178.407 176.600 0.080 0.000 0.991 91 E CA 1.600 58.064 56.400 0.107 0.000 0.799 91 E CB -0.347 29.347 29.700 -0.011 0.000 0.748 91 E HN 0.516 nan 8.360 nan 0.000 0.449 92 F N 1.008 121.039 119.950 0.135 0.000 2.186 92 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 92 F C 2.174 178.107 175.800 0.220 0.000 1.090 92 F CA 0.817 58.935 58.000 0.197 0.000 1.307 92 F CB -0.229 38.939 39.000 0.280 0.000 1.019 92 F HN -0.059 nan 8.300 nan 0.000 0.489 93 L N -0.618 120.750 121.223 0.240 0.000 2.056 93 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 93 L C 2.515 179.448 176.870 0.105 0.000 1.078 93 L CA 1.221 56.023 54.840 -0.064 0.000 0.749 93 L CB -0.768 41.101 42.059 -0.317 0.000 0.901 93 L HN 0.100 nan 8.230 nan 0.000 0.433 94 Q N 0.750 120.689 119.800 0.232 0.000 2.217 94 Q HA -0.271 4.069 4.340 -0.000 0.000 0.209 94 Q C 1.902 177.997 176.000 0.158 0.000 0.988 94 Q CA 1.779 57.728 55.803 0.243 0.000 0.878 94 Q CB -0.075 28.783 28.738 0.201 0.000 0.909 94 Q HN 0.444 nan 8.270 nan 0.000 0.424 95 E N -0.572 119.710 120.200 0.137 0.000 2.338 95 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 95 E C 1.775 178.455 176.600 0.133 0.000 1.007 95 E CA 0.670 57.138 56.400 0.112 0.000 0.849 95 E CB -0.020 29.733 29.700 0.088 0.000 0.774 95 E HN 0.447 nan 8.360 nan 0.000 0.506 96 L N 0.381 121.698 121.223 0.157 0.000 2.109 96 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 96 L C 1.126 178.075 176.870 0.131 0.000 1.086 96 L CA 0.596 55.530 54.840 0.156 0.000 0.760 96 L CB 0.058 42.211 42.059 0.156 0.000 0.910 96 L HN 0.014 nan 8.230 nan 0.000 0.437 97 N N -0.973 117.804 118.700 0.129 0.000 2.577 97 N HA 0.053 4.793 4.740 -0.000 0.000 0.275 97 N C 0.532 176.119 175.510 0.129 0.000 1.091 97 N CA 0.025 53.157 53.050 0.137 0.000 0.843 97 N CB 1.473 40.050 38.487 0.151 0.000 1.295 97 N HN -0.066 nan 8.380 nan 0.000 0.530 98 S N 1.119 116.881 115.700 0.103 0.000 2.595 98 S HA -0.028 4.441 4.470 -0.000 0.000 0.235 98 S C 0.280 174.930 174.600 0.083 0.000 0.974 98 S CA 0.608 58.857 58.200 0.083 0.000 0.942 98 S CB 0.120 63.355 63.200 0.059 0.000 0.766 98 S HN 0.384 nan 8.310 nan 0.000 0.536 99 D N 0.680 121.145 120.400 0.109 0.000 2.398 99 D HA 0.278 4.918 4.640 -0.000 0.000 0.210 99 D C -0.126 176.247 176.300 0.122 0.000 1.094 99 D CA 0.043 54.108 54.000 0.108 0.000 0.839 99 D CB 0.758 41.635 40.800 0.129 0.000 0.963 99 D HN 0.290 nan 8.370 nan 0.000 0.506 100 V N 1.024 121.024 119.914 0.144 0.000 2.630 100 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 100 V C 0.180 176.362 176.094 0.146 0.000 1.046 100 V CA -0.978 61.426 62.300 0.174 0.000 0.934 100 V CB 1.958 33.934 31.823 0.254 0.000 1.003 100 V HN 0.105 nan 8.190 nan 0.000 0.451 101 S N 2.227 117.976 115.700 0.081 0.000 2.594 101 S HA 0.703 5.173 4.470 -0.000 0.000 0.322 101 S C 0.055 174.516 174.600 -0.232 0.000 1.085 101 S CA -0.361 57.821 58.200 -0.031 0.000 1.116 101 S CB 1.035 64.202 63.200 -0.054 0.000 0.979 101 S HN 1.100 nan 8.310 nan 0.000 0.465 102 G N 1.764 110.346 108.800 -0.363 0.000 2.528 102 G HA2 0.678 4.638 3.960 -0.000 0.000 0.289 102 G HA3 0.678 4.638 3.960 -0.000 0.000 0.289 102 G C -0.512 174.140 174.900 -0.414 0.000 1.192 102 G CA -0.547 43.989 45.100 -0.940 0.000 0.921 102 G HN 1.639 nan 8.290 nan 0.000 0.512 103 S N -1.276 114.206 115.700 -0.364 0.000 2.608 103 S HA 0.595 5.065 4.470 -0.000 0.000 0.285 103 S C -0.886 173.748 174.600 0.057 0.000 1.108 103 S CA -0.938 57.194 58.200 -0.112 0.000 0.858 103 S CB 0.782 63.928 63.200 -0.089 0.000 1.077 103 S HN 1.376 nan 8.310 nan 0.000 0.450 104 F N -0.590 119.388 119.950 0.048 0.000 2.712 104 F HA 0.992 5.519 4.527 -0.000 0.000 0.367 104 F C -1.054 174.812 175.800 0.109 0.000 1.132 104 F CA -1.494 56.563 58.000 0.095 0.000 1.066 104 F CB 1.047 40.101 39.000 0.089 0.000 1.416 104 F HN 0.466 nan 8.300 nan 0.000 0.515 105 V N 0.773 120.936 119.914 0.415 0.000 2.637 105 V HA 0.153 4.273 4.120 -0.000 0.000 0.274 105 V C -0.565 175.696 176.094 0.279 0.000 1.004 105 V CA -0.757 61.683 62.300 0.232 0.000 0.894 105 V CB 1.126 33.041 31.823 0.153 0.000 1.046 105 V HN 0.843 nan 8.190 nan 0.000 0.467 106 E N 2.899 123.292 120.200 0.322 0.000 2.506 106 E HA 0.022 4.372 4.350 -0.000 0.000 0.210 106 E C 0.081 176.752 176.600 0.118 0.000 1.325 106 E CA 0.230 56.756 56.400 0.210 0.000 1.273 106 E CB 0.220 30.046 29.700 0.209 0.000 1.276 106 E HN 0.663 nan 8.360 nan 0.000 0.442 107 E N 1.068 121.330 120.200 0.103 0.000 2.191 107 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 107 E C -0.432 176.221 176.600 0.089 0.000 0.881 107 E CA -0.544 55.896 56.400 0.066 0.000 0.757 107 E CB 1.596 31.303 29.700 0.012 0.000 1.147 107 E HN 0.153 nan 8.360 nan 0.000 0.414 108 S N 2.631 118.380 115.700 0.081 0.000 2.550 108 S HA -0.021 4.449 4.470 -0.000 0.000 0.285 108 S C -1.836 172.835 174.600 0.119 0.000 1.326 108 S CA -0.826 57.431 58.200 0.096 0.000 1.037 108 S CB 0.530 63.778 63.200 0.080 0.000 0.838 108 S HN 0.304 nan 8.310 nan 0.000 0.519 109 P HA -0.121 nan 4.420 nan 0.000 0.216 109 P C 1.541 178.946 177.300 0.175 0.000 1.150 109 P CA 1.124 64.346 63.100 0.205 0.000 0.837 109 P CB 0.039 31.849 31.700 0.183 0.000 0.786 110 E N -0.485 119.790 120.200 0.126 0.000 2.097 110 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 110 E C 1.763 178.408 176.600 0.076 0.000 1.000 110 E CA 1.126 57.585 56.400 0.099 0.000 0.804 110 E CB -1.010 28.738 29.700 0.080 0.000 0.740 110 E HN 0.471 nan 8.360 nan 0.000 0.454 111 N N 0.397 119.134 118.700 0.062 0.000 2.028 111 N HA -0.141 4.599 4.740 -0.000 0.000 0.194 111 N C 1.878 177.392 175.510 0.005 0.000 1.050 111 N CA 0.824 53.890 53.050 0.028 0.000 0.848 111 N CB -0.111 38.385 38.487 0.015 0.000 1.038 111 N HN 0.038 nan 8.380 nan 0.000 0.423 112 L N 1.416 122.637 121.223 -0.004 0.000 2.103 112 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 112 L C 1.946 178.772 176.870 -0.073 0.000 1.080 112 L CA 1.431 56.223 54.840 -0.081 0.000 0.764 112 L CB -1.407 40.594 42.059 -0.096 0.000 0.890 112 L HN 0.356 nan 8.230 nan 0.000 0.435 113 L N -0.457 120.780 121.223 0.024 0.000 2.675 113 L HA -0.114 4.226 4.340 -0.000 0.000 0.238 113 L C 1.212 178.103 176.870 0.035 0.000 1.155 113 L CA 0.346 55.221 54.840 0.057 0.000 0.881 113 L CB -0.318 41.818 42.059 0.128 0.000 1.008 113 L HN 0.364 nan 8.230 nan 0.000 0.443 114 D N -2.018 118.387 120.400 0.009 0.000 2.272 114 D HA -0.011 4.629 4.640 -0.000 0.000 0.308 114 D C 1.272 177.566 176.300 -0.010 0.000 1.104 114 D CA 0.155 54.160 54.000 0.008 0.000 0.939 114 D CB -0.082 40.727 40.800 0.014 0.000 1.733 114 D HN 0.121 nan 8.370 nan 0.000 0.517 115 N N 0.819 119.503 118.700 -0.027 0.000 2.446 115 N HA 0.010 4.750 4.740 -0.000 0.000 0.179 115 N C -0.516 174.958 175.510 -0.060 0.000 1.054 115 N CA 0.836 53.860 53.050 -0.043 0.000 0.905 115 N CB 0.516 38.969 38.487 -0.055 0.000 0.973 115 N HN 0.085 nan 8.380 nan 0.000 0.448 116 D N -1.800 118.558 120.400 -0.069 0.000 2.266 116 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 116 D C -2.465 173.783 176.300 -0.087 0.000 1.311 116 D CA -0.995 52.964 54.000 -0.067 0.000 0.918 116 D CB 1.166 41.913 40.800 -0.088 0.000 1.530 116 D HN -0.166 nan 8.370 nan 0.000 0.514 117 P HA -0.027 nan 4.420 nan 0.000 0.218 117 P C 0.959 178.238 177.300 -0.034 0.000 1.152 117 P CA 0.790 63.872 63.100 -0.029 0.000 0.826 117 P CB 0.288 32.003 31.700 0.024 0.000 0.790 118 S N -1.987 113.708 115.700 -0.009 0.000 2.679 118 S HA 0.092 4.562 4.470 -0.000 0.000 0.233 118 S C 1.260 175.864 174.600 0.007 0.000 0.951 118 S CA -0.521 57.688 58.200 0.015 0.000 0.973 118 S CB -1.447 61.767 63.200 0.023 0.000 0.778 118 S HN -0.029 nan 8.310 nan 0.000 0.477 119 F N 2.152 121.962 119.950 -0.233 0.000 2.259 119 F HA 0.196 4.723 4.527 -0.000 0.000 0.298 119 F C 1.346 177.079 175.800 -0.112 0.000 1.088 119 F CA 0.159 58.026 58.000 -0.222 0.000 1.358 119 F CB -0.599 38.220 39.000 -0.302 0.000 1.040 119 F HN 0.311 nan 8.300 nan 0.000 0.505 120 F N -0.295 119.583 119.950 -0.120 0.000 2.171 120 F HA -0.246 4.280 4.527 -0.000 0.000 0.300 120 F C 2.495 178.185 175.800 -0.184 0.000 1.090 120 F CA 0.681 58.632 58.000 -0.083 0.000 1.293 120 F CB -1.055 38.019 39.000 0.122 0.000 1.013 120 F HN -0.033 nan 8.300 nan 0.000 0.486 121 C N 0.714 120.032 119.300 0.029 0.000 2.402 121 C HA -0.188 4.272 4.460 -0.000 0.000 0.301 121 C C 2.210 177.101 174.990 -0.164 0.000 1.455 121 C CA 0.866 59.865 59.018 -0.031 0.000 1.787 121 C CB -2.144 25.586 27.740 -0.017 0.000 1.726 121 C HN 0.434 nan 8.230 nan 0.000 0.565 122 R N -0.426 119.806 120.500 -0.447 0.000 2.363 122 R HA 0.280 4.620 4.340 -0.000 0.000 0.236 122 R C -0.461 175.470 176.300 -0.615 0.000 0.966 122 R CA 0.200 55.970 56.100 -0.549 0.000 1.100 122 R CB -0.372 29.482 30.300 -0.742 0.000 1.125 122 R HN 0.399 nan 8.270 nan 0.000 0.514 123 F N -0.699 119.200 119.950 -0.085 0.000 2.551 123 F HA 0.331 4.858 4.527 -0.000 0.000 0.316 123 F C 1.202 176.978 175.800 -0.039 0.000 1.089 123 F CA -1.270 56.676 58.000 -0.089 0.000 0.915 123 F CB 2.350 41.249 39.000 -0.167 0.000 1.186 123 F HN -0.197 nan 8.300 nan 0.000 0.456 124 T N 1.127 115.805 114.554 0.206 0.000 2.614 124 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 124 T C 0.444 175.182 174.700 0.064 0.000 1.055 124 T CA 1.400 63.562 62.100 0.103 0.000 1.162 124 T CB -0.090 68.829 68.868 0.085 0.000 0.863 124 T HN 0.407 nan 8.240 nan 0.000 0.414 125 V N -1.574 118.360 119.914 0.033 0.000 3.130 125 V HA 0.836 4.956 4.120 -0.000 0.000 0.310 125 V C -1.002 175.030 176.094 -0.102 0.000 1.158 125 V CA -1.204 61.080 62.300 -0.027 0.000 1.029 125 V CB 2.325 34.121 31.823 -0.046 0.000 1.057 125 V HN -0.024 nan 8.190 nan 0.000 0.436 126 V N 2.059 121.892 119.914 -0.136 0.000 2.487 126 V HA 0.579 4.699 4.120 -0.000 0.000 0.298 126 V C -0.427 175.564 176.094 -0.170 0.000 1.028 126 V CA -0.451 61.709 62.300 -0.235 0.000 0.860 126 V CB 1.849 33.481 31.823 -0.318 0.000 0.991 126 V HN 0.788 nan 8.190 nan 0.000 0.427 127 V N 4.295 124.105 119.914 -0.174 0.000 2.326 127 V HA 0.701 4.821 4.120 -0.000 0.000 0.281 127 V C 0.355 176.395 176.094 -0.090 0.000 1.015 127 V CA -0.552 61.684 62.300 -0.106 0.000 0.823 127 V CB 1.452 33.216 31.823 -0.098 0.000 1.009 127 V HN 0.940 nan 8.190 nan 0.000 0.436 128 A N 3.880 126.670 122.820 -0.051 0.000 2.256 128 A HA 0.759 5.079 4.320 -0.000 0.000 0.317 128 A C 0.406 178.007 177.584 0.028 0.000 1.318 128 A CA -0.351 51.675 52.037 -0.018 0.000 0.894 128 A CB 0.600 19.593 19.000 -0.012 0.000 1.165 128 A HN 0.867 nan 8.150 nan 0.000 0.525 129 T N 0.531 115.104 114.554 0.031 0.000 2.895 129 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 129 T C -0.052 174.684 174.700 0.059 0.000 1.014 129 T CA -0.521 61.609 62.100 0.050 0.000 1.037 129 T CB 1.199 70.088 68.868 0.034 0.000 1.006 129 T HN 0.688 nan 8.240 nan 0.000 0.468 130 Q N 0.464 120.304 119.800 0.067 0.000 2.434 130 Q HA -0.142 4.198 4.340 -0.000 0.000 0.299 130 Q C -0.354 175.679 176.000 0.055 0.000 1.286 130 Q CA 0.507 56.342 55.803 0.052 0.000 0.872 130 Q CB -2.185 26.574 28.738 0.036 0.000 1.193 130 Q HN 0.765 nan 8.270 nan 0.000 0.466 131 L N 1.152 122.415 121.223 0.066 0.000 2.421 131 L HA 0.490 4.830 4.340 -0.000 0.000 0.263 131 L C -1.471 175.428 176.870 0.049 0.000 1.122 131 L CA -1.743 53.135 54.840 0.063 0.000 0.804 131 L CB 0.646 42.747 42.059 0.069 0.000 1.150 131 L HN -0.037 nan 8.230 nan 0.000 0.457 132 P HA 0.201 nan 4.420 nan 0.000 0.290 132 P C -0.191 177.122 177.300 0.021 0.000 1.275 132 P CA -0.596 62.511 63.100 0.012 0.000 0.841 132 P CB 1.446 33.139 31.700 -0.013 0.000 1.042 133 E N 0.822 121.032 120.200 0.016 0.000 2.164 133 E HA -0.270 4.080 4.350 -0.000 0.000 0.206 133 E C 1.872 178.451 176.600 -0.036 0.000 1.032 133 E CA 2.465 58.853 56.400 -0.020 0.000 0.832 133 E CB -0.241 29.466 29.700 0.011 0.000 0.742 133 E HN 0.618 nan 8.360 nan 0.000 0.460 134 S N 0.380 116.089 115.700 0.016 0.000 2.363 134 S HA -0.188 4.282 4.470 -0.000 0.000 0.218 134 S C 2.205 176.820 174.600 0.024 0.000 1.035 134 S CA 1.863 60.076 58.200 0.022 0.000 1.043 134 S CB -0.900 62.331 63.200 0.052 0.000 0.986 134 S HN 0.141 nan 8.310 nan 0.000 0.423 135 T N 1.849 116.432 114.554 0.048 0.000 2.720 135 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 135 T C 2.125 176.857 174.700 0.052 0.000 1.037 135 T CA 1.535 63.674 62.100 0.065 0.000 1.144 135 T CB -0.882 68.035 68.868 0.082 0.000 0.864 135 T HN 0.507 nan 8.240 nan 0.000 0.444 136 S N 0.806 116.524 115.700 0.030 0.000 2.377 136 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 136 S C 1.996 176.589 174.600 -0.011 0.000 1.042 136 S CA 1.408 59.619 58.200 0.018 0.000 1.086 136 S CB -0.608 62.594 63.200 0.003 0.000 0.995 136 S HN 0.393 nan 8.310 nan 0.000 0.428 137 L N 0.865 122.039 121.223 -0.081 0.000 2.079 137 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 137 L C 2.855 179.711 176.870 -0.023 0.000 1.081 137 L CA 1.414 56.188 54.840 -0.110 0.000 0.752 137 L CB -0.403 41.540 42.059 -0.192 0.000 0.896 137 L HN 0.258 nan 8.230 nan 0.000 0.433 138 R N -0.602 119.905 120.500 0.013 0.000 2.070 138 R HA -0.185 4.155 4.340 -0.000 0.000 0.233 138 R C 2.223 178.580 176.300 0.094 0.000 1.137 138 R CA 1.482 57.614 56.100 0.054 0.000 0.945 138 R CB -0.697 29.645 30.300 0.069 0.000 0.845 138 R HN 0.170 nan 8.270 nan 0.000 0.430 139 L N 0.996 122.283 121.223 0.107 0.000 2.042 139 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 139 L C 2.183 179.125 176.870 0.119 0.000 1.076 139 L CA 2.008 56.932 54.840 0.140 0.000 0.749 139 L CB -0.749 41.373 42.059 0.105 0.000 0.893 139 L HN 0.160 nan 8.230 nan 0.000 0.432 140 A N -1.083 121.792 122.820 0.091 0.000 1.933 140 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 140 A C 2.198 179.884 177.584 0.169 0.000 1.175 140 A CA 1.763 53.871 52.037 0.117 0.000 0.628 140 A CB -0.865 18.184 19.000 0.081 0.000 0.814 140 A HN 0.656 nan 8.150 nan 0.000 0.444 141 D N -0.252 120.219 120.400 0.119 0.000 2.097 141 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 141 D C 1.976 178.396 176.300 0.200 0.000 0.984 141 D CA 1.658 55.732 54.000 0.124 0.000 0.826 141 D CB 0.071 40.907 40.800 0.058 0.000 0.973 141 D HN 0.204 nan 8.370 nan 0.000 0.460 142 V N 1.625 121.653 119.914 0.191 0.000 2.223 142 V HA -0.244 3.875 4.120 -0.000 0.000 0.244 142 V C 2.868 179.104 176.094 0.237 0.000 1.045 142 V CA 1.233 63.660 62.300 0.212 0.000 1.000 142 V CB -0.667 31.305 31.823 0.248 0.000 0.635 142 V HN 0.285 nan 8.190 nan 0.000 0.445 143 L N -0.491 120.874 121.223 0.237 0.000 2.129 143 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 143 L C 2.432 179.415 176.870 0.188 0.000 1.087 143 L CA 2.106 57.059 54.840 0.188 0.000 0.757 143 L CB -0.639 41.483 42.059 0.105 0.000 0.896 143 L HN 0.650 nan 8.230 nan 0.000 0.434 144 W N 1.641 122.977 121.300 0.060 0.000 2.388 144 W HA -0.161 4.499 4.660 -0.000 0.000 0.294 144 W C 1.846 178.396 176.519 0.052 0.000 1.212 144 W CA 1.260 58.634 57.345 0.050 0.000 1.271 144 W CB -0.299 29.189 29.460 0.048 0.000 1.126 144 W HN 0.264 nan 8.180 nan 0.000 0.535 145 N N 0.228 119.110 118.700 0.304 0.000 2.467 145 N HA -0.054 4.686 4.740 -0.000 0.000 0.184 145 N C 1.092 176.645 175.510 0.072 0.000 1.106 145 N CA 0.907 54.072 53.050 0.190 0.000 0.892 145 N CB 0.031 38.655 38.487 0.229 0.000 0.969 145 N HN -0.011 nan 8.380 nan 0.000 0.454 146 S N 0.288 116.028 115.700 0.066 0.000 2.557 146 S HA 0.083 4.553 4.470 -0.000 0.000 0.223 146 S C 0.461 175.058 174.600 -0.005 0.000 0.969 146 S CA -0.229 58.000 58.200 0.048 0.000 0.927 146 S CB 0.628 63.888 63.200 0.099 0.000 0.806 146 S HN 0.056 nan 8.310 nan 0.000 0.489 147 Q N 0.320 120.072 119.800 -0.079 0.000 2.348 147 Q HA -0.161 4.179 4.340 -0.000 0.000 0.221 147 Q C -0.409 175.546 176.000 -0.075 0.000 0.735 147 Q CA 0.636 56.362 55.803 -0.128 0.000 1.351 147 Q CB -1.492 27.193 28.738 -0.088 0.000 1.640 147 Q HN 0.420 nan 8.270 nan 0.000 0.667 148 I N 1.480 122.034 120.570 -0.026 0.000 2.441 148 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 148 I C -1.794 174.314 176.117 -0.014 0.000 1.049 148 I CA -2.029 59.273 61.300 0.003 0.000 1.381 148 I CB 0.618 38.648 38.000 0.050 0.000 1.409 148 I HN -0.107 nan 8.210 nan 0.000 0.523 149 P HA 0.214 nan 4.420 nan 0.000 0.276 149 P C -0.747 176.535 177.300 -0.030 0.000 1.243 149 P CA -0.261 62.824 63.100 -0.025 0.000 0.768 149 P CB 0.769 32.454 31.700 -0.024 0.000 0.856 150 L N 5.393 126.609 121.223 -0.012 0.000 2.346 150 L HA 0.690 5.030 4.340 -0.000 0.000 0.276 150 L C -1.571 175.299 176.870 -0.001 0.000 1.006 150 L CA -0.765 54.065 54.840 -0.016 0.000 0.817 150 L CB 1.706 43.775 42.059 0.017 0.000 1.272 150 L HN 0.132 nan 8.230 nan 0.000 0.421 151 L N 6.141 127.359 121.223 -0.008 0.000 2.377 151 L HA 0.596 4.936 4.340 -0.000 0.000 0.270 151 L C -1.169 175.724 176.870 0.038 0.000 0.991 151 L CA -0.074 54.781 54.840 0.025 0.000 0.851 151 L CB 1.110 43.178 42.059 0.015 0.000 1.218 151 L HN 0.570 nan 8.230 nan 0.000 0.420 152 I N 4.244 124.862 120.570 0.079 0.000 2.342 152 I HA 0.371 4.540 4.170 -0.000 0.000 0.291 152 I C -0.525 175.671 176.117 0.131 0.000 1.010 152 I CA -0.331 61.040 61.300 0.118 0.000 1.308 152 I CB 0.983 39.101 38.000 0.196 0.000 1.400 152 I HN 0.537 nan 8.210 nan 0.000 0.488 153 C N 5.272 124.652 119.300 0.133 0.000 2.563 153 C HA 0.732 5.192 4.460 -0.000 0.000 0.314 153 C C 0.019 175.127 174.990 0.198 0.000 1.199 153 C CA -0.705 58.399 59.018 0.143 0.000 1.564 153 C CB 1.635 29.416 27.740 0.068 0.000 2.173 153 C HN 0.728 nan 8.230 nan 0.000 0.485 154 R N 0.963 121.623 120.500 0.266 0.000 2.564 154 R HA 0.597 4.937 4.340 -0.000 0.000 0.284 154 R C -1.226 175.186 176.300 0.185 0.000 1.031 154 R CA 0.083 56.319 56.100 0.227 0.000 0.904 154 R CB 1.424 31.893 30.300 0.283 0.000 1.199 154 R HN 0.765 nan 8.270 nan 0.000 0.443 155 T N 4.695 119.308 114.554 0.097 0.000 2.963 155 T HA 0.224 4.574 4.350 -0.000 0.000 0.343 155 T C -1.568 173.112 174.700 -0.032 0.000 1.146 155 T CA -0.206 61.916 62.100 0.038 0.000 1.016 155 T CB 0.062 68.930 68.868 0.000 0.000 1.046 155 T HN 0.412 nan 8.240 nan 0.000 0.496 156 Y N 3.239 123.426 120.300 -0.188 0.000 2.587 156 Y HA 0.508 5.058 4.550 -0.000 0.000 0.328 156 Y C 0.947 176.540 175.900 -0.513 0.000 0.980 156 Y CA 0.550 58.467 58.100 -0.305 0.000 1.272 156 Y CB -0.036 38.257 38.460 -0.278 0.000 1.094 156 Y HN 0.913 nan 8.280 nan 0.000 0.503 157 G N 3.288 111.601 108.800 -0.812 0.000 2.536 157 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.277 157 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.277 157 G C 0.247 174.570 174.900 -0.961 0.000 1.155 157 G CA 0.224 44.559 45.100 -1.275 0.000 0.960 157 G HN 0.569 nan 8.290 nan 0.000 0.544 158 L N 0.920 121.436 121.223 -1.178 0.000 2.700 158 L HA 0.373 4.713 4.340 -0.000 0.000 0.234 158 L C 0.331 176.961 176.870 -0.400 0.000 1.156 158 L CA 0.070 54.575 54.840 -0.559 0.000 0.946 158 L CB 0.476 42.314 42.059 -0.370 0.000 1.216 158 L HN 0.245 nan 8.230 nan 0.000 0.493 159 V N -0.179 119.532 119.914 -0.338 0.000 2.459 159 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 159 V C 0.448 176.546 176.094 0.007 0.000 1.029 159 V CA -0.590 61.630 62.300 -0.134 0.000 0.874 159 V CB 1.599 33.433 31.823 0.019 0.000 0.985 159 V HN 0.235 nan 8.190 nan 0.000 0.438 160 G N 3.073 111.956 108.800 0.139 0.000 2.437 160 G HA2 0.514 4.474 3.960 -0.000 0.000 0.315 160 G HA3 0.514 4.474 3.960 -0.000 0.000 0.315 160 G C -1.435 173.655 174.900 0.317 0.000 1.210 160 G CA -0.348 44.915 45.100 0.272 0.000 0.943 160 G HN 0.585 nan 8.290 nan 0.000 0.471 161 Y N 2.844 123.246 120.300 0.169 0.000 2.361 161 Y HA 0.753 5.303 4.550 -0.000 0.000 0.332 161 Y C -0.245 175.778 175.900 0.205 0.000 1.101 161 Y CA -1.377 56.835 58.100 0.186 0.000 1.137 161 Y CB 2.009 40.571 38.460 0.170 0.000 1.207 161 Y HN 0.436 nan 8.280 nan 0.000 0.463 162 M N 7.409 126.760 119.600 -0.415 0.000 2.238 162 M HA 0.434 4.914 4.480 -0.000 0.000 0.278 162 M C -1.697 174.453 176.300 -0.249 0.000 1.040 162 M CA -0.441 54.715 55.300 -0.240 0.000 0.969 162 M CB 1.413 33.993 32.600 -0.033 0.000 1.694 162 M HN 0.787 nan 8.290 nan 0.000 0.472 163 R N 3.718 124.131 120.500 -0.145 0.000 2.575 163 R HA 0.677 5.017 4.340 -0.000 0.000 0.293 163 R C -1.970 174.389 176.300 0.098 0.000 0.983 163 R CA -0.704 55.406 56.100 0.015 0.000 0.887 163 R CB 1.951 32.254 30.300 0.004 0.000 1.184 163 R HN 0.769 nan 8.270 nan 0.000 0.445 164 I N 5.799 126.348 120.570 -0.035 0.000 2.362 164 I HA 0.415 4.584 4.170 -0.000 0.000 0.289 164 I C -1.142 174.908 176.117 -0.112 0.000 0.994 164 I CA -0.558 60.657 61.300 -0.141 0.000 1.158 164 I CB 1.274 38.955 38.000 -0.531 0.000 1.315 164 I HN 0.520 nan 8.210 nan 0.000 0.451 165 I N 8.365 128.929 120.570 -0.010 0.000 2.418 165 I HA 0.529 4.699 4.170 -0.000 0.000 0.287 165 I C -0.882 175.265 176.117 0.049 0.000 1.008 165 I CA -0.518 60.830 61.300 0.080 0.000 1.104 165 I CB 1.151 39.265 38.000 0.189 0.000 1.264 165 I HN 0.380 nan 8.210 nan 0.000 0.438 166 I N 5.521 126.108 120.570 0.029 0.000 2.651 166 I HA 0.159 4.329 4.170 -0.000 0.000 0.287 166 I C 0.795 176.872 176.117 -0.066 0.000 1.244 166 I CA -0.612 60.661 61.300 -0.044 0.000 1.061 166 I CB 2.250 40.221 38.000 -0.049 0.000 1.286 166 I HN 0.596 nan 8.210 nan 0.000 0.434 167 K N 3.297 123.542 120.400 -0.260 0.000 2.059 167 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 167 K C 0.465 177.022 176.600 -0.072 0.000 1.050 167 K CA 1.835 57.941 56.287 -0.301 0.000 0.927 167 K CB 0.301 32.456 32.500 -0.576 0.000 0.714 167 K HN 0.662 nan 8.250 nan 0.000 0.447 168 E N -0.981 119.191 120.200 -0.047 0.000 2.347 168 E HA 0.077 4.427 4.350 -0.000 0.000 0.285 168 E C -1.958 174.671 176.600 0.049 0.000 0.925 168 E CA -0.521 55.898 56.400 0.032 0.000 0.779 168 E CB 1.245 30.987 29.700 0.070 0.000 1.233 168 E HN 0.232 nan 8.360 nan 0.000 0.414 169 H N 4.844 123.870 119.070 -0.073 0.000 2.854 169 H HA 0.393 4.949 4.556 -0.000 0.000 0.275 169 H C -2.606 172.588 175.328 -0.224 0.000 1.198 169 H CA -1.728 54.246 56.048 -0.123 0.000 1.489 169 H CB 1.171 30.871 29.762 -0.103 0.000 1.519 169 H HN 0.179 nan 8.280 nan 0.000 0.503 170 P HA 0.232 nan 4.420 nan 0.000 0.288 170 P C -1.012 175.758 177.300 -0.883 0.000 1.267 170 P CA -0.598 61.915 63.100 -0.978 0.000 0.815 170 P CB 2.561 33.232 31.700 -1.714 0.000 0.989 171 V N 3.978 123.501 119.914 -0.652 0.000 2.709 171 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 171 V C 0.402 176.410 176.094 -0.143 0.000 1.062 171 V CA -0.609 61.498 62.300 -0.323 0.000 0.901 171 V CB 1.749 33.496 31.823 -0.127 0.000 1.003 171 V HN 0.464 nan 8.190 nan 0.000 0.425 172 I N 3.112 123.659 120.570 -0.038 0.000 2.899 172 I HA 0.281 4.451 4.170 -0.000 0.000 0.257 172 I C 1.453 177.550 176.117 -0.033 0.000 1.115 172 I CA 0.338 61.663 61.300 0.041 0.000 1.451 172 I CB 0.316 38.350 38.000 0.056 0.000 1.251 172 I HN 0.765 nan 8.210 nan 0.000 0.456 173 E N 1.790 121.923 120.200 -0.112 0.000 2.110 173 E HA 0.011 4.361 4.350 -0.000 0.000 0.300 173 E C 1.074 177.417 176.600 -0.430 0.000 1.278 173 E CA -0.088 56.143 56.400 -0.282 0.000 1.365 173 E CB 0.198 29.719 29.700 -0.298 0.000 1.283 173 E HN 0.343 nan 8.360 nan 0.000 0.490 174 S N 1.507 117.064 115.700 -0.238 0.000 2.547 174 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 174 S C 0.420 174.919 174.600 -0.168 0.000 0.980 174 S CA 0.047 58.154 58.200 -0.154 0.000 0.941 174 S CB -0.234 62.956 63.200 -0.017 0.000 0.763 174 S HN 0.631 nan 8.310 nan 0.000 0.532 175 H N 1.040 119.952 119.070 -0.263 0.000 2.702 175 H HA -0.057 4.499 4.556 -0.000 0.000 0.328 175 H C -2.566 172.647 175.328 -0.190 0.000 1.111 175 H CA 0.642 56.526 56.048 -0.274 0.000 1.109 175 H CB -2.189 27.334 29.762 -0.398 0.000 1.606 175 H HN 0.453 nan 8.280 nan 0.000 0.399 176 P HA 0.010 nan 4.420 nan 0.000 0.267 176 P C 1.142 178.373 177.300 -0.116 0.000 1.205 176 P CA -0.160 62.806 63.100 -0.223 0.000 0.765 176 P CB 0.824 32.209 31.700 -0.525 0.000 0.828 177 D N 1.194 121.572 120.400 -0.036 0.000 2.104 177 D HA -0.082 4.558 4.640 -0.000 0.000 0.194 177 D C 0.367 176.649 176.300 -0.030 0.000 0.994 177 D CA 1.624 55.615 54.000 -0.014 0.000 0.830 177 D CB 0.192 40.994 40.800 0.003 0.000 0.959 177 D HN 0.426 nan 8.370 nan 0.000 0.452 178 N N -1.128 117.552 118.700 -0.033 0.000 2.525 178 N HA 0.617 5.357 4.740 -0.000 0.000 0.270 178 N C -1.150 174.356 175.510 -0.007 0.000 1.321 178 N CA -0.433 52.608 53.050 -0.014 0.000 0.797 178 N CB 2.790 41.282 38.487 0.009 0.000 1.529 178 N HN -0.000 nan 8.380 nan 0.000 0.491 179 A N 0.568 123.411 122.820 0.037 0.000 2.581 179 A HA 0.409 4.729 4.320 -0.000 0.000 0.294 179 A C -1.660 175.999 177.584 0.125 0.000 1.035 179 A CA -0.662 51.443 52.037 0.113 0.000 0.684 179 A CB 0.455 19.565 19.000 0.183 0.000 1.282 179 A HN 0.458 nan 8.150 nan 0.000 0.417 180 L N 2.414 123.720 121.223 0.139 0.000 2.380 180 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 180 L C 0.678 177.630 176.870 0.136 0.000 1.138 180 L CA -0.493 54.418 54.840 0.118 0.000 0.832 180 L CB 0.594 42.713 42.059 0.100 0.000 1.124 180 L HN 0.664 nan 8.230 nan 0.000 0.454 181 E N 1.505 121.780 120.200 0.124 0.000 2.438 181 E HA -0.069 4.281 4.350 -0.000 0.000 0.261 181 E C -0.591 176.074 176.600 0.109 0.000 1.103 181 E CA 0.072 56.540 56.400 0.114 0.000 0.959 181 E CB 0.564 30.329 29.700 0.108 0.000 0.958 181 E HN 0.363 nan 8.360 nan 0.000 0.447 182 D N 1.861 122.317 120.400 0.094 0.000 2.540 182 D HA 0.145 4.785 4.640 -0.000 0.000 0.251 182 D C 0.513 176.919 176.300 0.177 0.000 1.159 182 D CA -0.146 53.928 54.000 0.124 0.000 0.974 182 D CB -0.368 40.495 40.800 0.105 0.000 0.996 182 D HN 0.264 nan 8.370 nan 0.000 0.512 183 L N 1.569 122.905 121.223 0.188 0.000 2.446 183 L HA 0.168 4.508 4.340 -0.000 0.000 0.219 183 L C 1.030 178.149 176.870 0.415 0.000 1.116 183 L CA -0.221 54.782 54.840 0.270 0.000 0.844 183 L CB -0.116 42.060 42.059 0.196 0.000 0.970 183 L HN 0.215 nan 8.230 nan 0.000 0.457 184 R N -0.087 120.599 120.500 0.309 0.000 3.641 184 R HA -0.192 4.148 4.340 -0.000 0.000 0.286 184 R C 1.031 177.451 176.300 0.200 0.000 1.153 184 R CA 0.464 56.722 56.100 0.264 0.000 0.775 184 R CB -2.432 28.078 30.300 0.350 0.000 1.215 184 R HN 0.406 nan 8.270 nan 0.000 0.474 185 L N 0.344 121.686 121.223 0.199 0.000 2.291 185 L HA -0.160 4.180 4.340 -0.000 0.000 0.214 185 L C 1.969 178.927 176.870 0.147 0.000 1.120 185 L CA 1.822 56.767 54.840 0.173 0.000 0.799 185 L CB -0.156 41.983 42.059 0.134 0.000 0.925 185 L HN 0.253 nan 8.230 nan 0.000 0.446 186 D N -0.430 120.047 120.400 0.128 0.000 2.197 186 D HA -0.116 4.524 4.640 -0.000 0.000 0.212 186 D C 0.709 177.071 176.300 0.104 0.000 0.963 186 D CA 0.858 54.929 54.000 0.117 0.000 0.864 186 D CB -0.073 40.779 40.800 0.087 0.000 1.009 186 D HN 0.064 nan 8.370 nan 0.000 0.479 187 K N 0.972 121.435 120.400 0.106 0.000 2.682 187 K HA 0.352 4.672 4.320 -0.000 0.000 0.189 187 K C -2.685 173.980 176.600 0.109 0.000 1.062 187 K CA -1.705 54.638 56.287 0.093 0.000 0.997 187 K CB 1.739 34.297 32.500 0.096 0.000 1.405 187 K HN 0.078 nan 8.250 nan 0.000 0.588 188 P HA -0.073 nan 4.420 nan 0.000 0.266 188 P C -0.618 176.649 177.300 -0.054 0.000 1.195 188 P CA 0.012 63.072 63.100 -0.067 0.000 0.768 188 P CB 0.267 31.957 31.700 -0.016 0.000 0.838 189 F N 1.828 121.758 119.950 -0.034 0.000 2.377 189 F HA 0.514 5.041 4.527 -0.000 0.000 0.328 189 F C -1.577 174.179 175.800 -0.072 0.000 1.094 189 F CA -2.955 55.014 58.000 -0.050 0.000 1.093 189 F CB -0.835 38.126 39.000 -0.064 0.000 1.214 189 F HN 0.219 nan 8.300 nan 0.000 0.518 190 P HA -0.252 nan 4.420 nan 0.000 0.218 190 P C 1.067 178.353 177.300 -0.024 0.000 1.165 190 P CA 2.379 65.495 63.100 0.025 0.000 0.922 190 P CB 0.084 31.815 31.700 0.051 0.000 0.794 191 E N -0.999 119.236 120.200 0.060 0.000 2.097 191 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 191 E C 1.916 178.411 176.600 -0.176 0.000 1.000 191 E CA 1.020 57.427 56.400 0.012 0.000 0.804 191 E CB -1.077 28.694 29.700 0.119 0.000 0.740 191 E HN 0.168 nan 8.360 nan 0.000 0.454 192 L N 0.503 121.446 121.223 -0.467 0.000 2.072 192 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 192 L C 2.275 178.645 176.870 -0.832 0.000 1.079 192 L CA 1.670 55.945 54.840 -0.942 0.000 0.752 192 L CB -0.155 40.855 42.059 -1.748 0.000 0.906 192 L HN -0.084 nan 8.230 nan 0.000 0.436 193 R N -0.434 119.802 120.500 -0.441 0.000 2.092 193 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 193 R C 2.116 178.374 176.300 -0.070 0.000 1.119 193 R CA 1.704 57.719 56.100 -0.141 0.000 0.970 193 R CB -0.127 30.149 30.300 -0.040 0.000 0.864 193 R HN 0.530 nan 8.270 nan 0.000 0.440 194 E N -1.291 118.855 120.200 -0.090 0.000 2.152 194 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 194 E C 1.699 178.300 176.600 0.001 0.000 0.983 194 E CA 1.066 57.454 56.400 -0.019 0.000 0.818 194 E CB -0.134 29.559 29.700 -0.011 0.000 0.758 194 E HN 0.452 nan 8.360 nan 0.000 0.467 195 H N 0.598 119.551 119.070 -0.194 0.000 2.293 195 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 195 H C 1.664 177.044 175.328 0.087 0.000 1.082 195 H CA 1.775 57.742 56.048 -0.134 0.000 1.308 195 H CB -0.442 29.125 29.762 -0.324 0.000 1.375 195 H HN 0.126 nan 8.280 nan 0.000 0.495 196 F N 0.617 120.536 119.950 -0.051 0.000 2.126 196 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 196 F C 2.751 178.550 175.800 -0.001 0.000 1.096 196 F CA 1.055 58.990 58.000 -0.107 0.000 1.255 196 F CB -0.272 38.678 39.000 -0.084 0.000 0.997 196 F HN 0.278 nan 8.300 nan 0.000 0.479 197 Q N 0.149 120.069 119.800 0.201 0.000 2.181 197 Q HA -0.181 4.159 4.340 -0.000 0.000 0.205 197 Q C 1.934 178.010 176.000 0.126 0.000 0.980 197 Q CA 1.592 57.477 55.803 0.136 0.000 0.862 197 Q CB -0.420 28.372 28.738 0.090 0.000 0.905 197 Q HN 0.381 nan 8.270 nan 0.000 0.429 198 S N -0.531 115.236 115.700 0.113 0.000 2.894 198 S HA -0.028 4.442 4.470 -0.000 0.000 0.231 198 S C -0.354 174.246 174.600 -0.001 0.000 0.971 198 S CA -0.118 58.102 58.200 0.033 0.000 1.005 198 S CB -0.210 62.969 63.200 -0.035 0.000 0.799 198 S HN 0.150 nan 8.310 nan 0.000 0.527 199 Y N -0.135 120.144 120.300 -0.035 0.000 2.524 199 Y HA 0.670 5.220 4.550 -0.000 0.000 0.344 199 Y C 0.598 176.492 175.900 -0.011 0.000 1.012 199 Y CA 0.007 58.092 58.100 -0.024 0.000 1.068 199 Y CB 1.674 40.115 38.460 -0.032 0.000 1.249 199 Y HN 0.304 nan 8.280 nan 0.000 0.468 209 H N 0.043 119.152 119.070 0.065 0.000 2.426 209 H HA -0.003 4.553 4.556 -0.000 0.000 0.298 209 H C 1.355 176.802 175.328 0.199 0.000 1.107 209 H CA 2.540 58.684 56.048 0.159 0.000 1.298 209 H CB 0.202 30.058 29.762 0.156 0.000 1.377 209 H HN 0.031 nan 8.280 nan 0.000 0.519 210 S N -1.235 114.537 115.700 0.119 0.000 2.597 210 S HA 0.077 4.547 4.470 -0.000 0.000 0.224 210 S C 0.107 174.858 174.600 0.251 0.000 0.955 210 S CA -0.373 57.897 58.200 0.117 0.000 0.933 210 S CB -0.247 62.991 63.200 0.064 0.000 0.788 210 S HN 0.629 nan 8.310 nan 0.000 0.488 211 H N 0.222 119.365 119.070 0.122 0.000 2.549 211 H HA 0.255 4.811 4.556 -0.000 0.000 0.253 211 H C -0.671 174.732 175.328 0.126 0.000 1.170 211 H CA -0.441 55.675 56.048 0.113 0.000 0.943 211 H CB 0.822 30.650 29.762 0.109 0.000 1.849 211 H HN 0.161 nan 8.280 nan 0.000 0.603 212 T N 2.129 116.808 114.554 0.208 0.000 2.823 212 T HA 0.221 4.571 4.350 -0.000 0.000 0.279 212 T C -2.525 172.220 174.700 0.074 0.000 0.998 212 T CA -1.655 60.540 62.100 0.158 0.000 0.994 212 T CB 2.073 71.005 68.868 0.107 0.000 0.960 212 T HN 0.036 nan 8.240 nan 0.000 0.448 213 P HA -0.006 nan 4.420 nan 0.000 0.264 213 P C 0.377 177.655 177.300 -0.037 0.000 1.183 213 P CA -0.265 62.839 63.100 0.007 0.000 0.763 213 P CB 0.353 32.034 31.700 -0.031 0.000 0.807 214 W N 5.745 127.018 121.300 -0.045 0.000 2.350 214 W HA -0.171 4.489 4.660 -0.000 0.000 0.289 214 W C 1.258 177.712 176.519 -0.108 0.000 1.215 214 W CA 1.026 58.305 57.345 -0.111 0.000 1.236 214 W CB -1.803 27.617 29.460 -0.065 0.000 1.130 214 W HN 0.214 nan 8.180 nan 0.000 0.541 215 I N 0.644 121.024 120.570 -0.317 0.000 2.264 215 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 215 I C 2.357 178.372 176.117 -0.170 0.000 1.111 215 I CA 1.615 62.827 61.300 -0.148 0.000 1.382 215 I CB -0.914 36.970 38.000 -0.193 0.000 1.060 215 I HN -0.057 nan 8.210 nan 0.000 0.418 216 V N 0.961 120.754 119.914 -0.202 0.000 2.379 216 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 216 V C 2.402 178.248 176.094 -0.413 0.000 1.044 216 V CA 1.277 63.334 62.300 -0.406 0.000 1.036 216 V CB -0.320 31.203 31.823 -0.501 0.000 0.664 216 V HN 0.270 nan 8.190 nan 0.000 0.453 217 I N -0.093 120.304 120.570 -0.289 0.000 2.118 217 I HA -0.300 3.869 4.170 -0.000 0.000 0.241 217 I C 2.423 178.471 176.117 -0.114 0.000 1.070 217 I CA 2.190 63.323 61.300 -0.278 0.000 1.327 217 I CB -0.860 36.913 38.000 -0.378 0.000 1.034 217 I HN 0.263 nan 8.210 nan 0.000 0.405 218 I N 0.854 121.413 120.570 -0.018 0.000 2.226 218 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 218 I C 2.704 178.843 176.117 0.037 0.000 1.100 218 I CA 1.424 62.790 61.300 0.110 0.000 1.374 218 I CB -0.313 37.804 38.000 0.196 0.000 1.057 218 I HN 0.165 nan 8.210 nan 0.000 0.413 219 A N 0.214 122.878 122.820 -0.260 0.000 2.015 219 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 219 A C 2.268 179.666 177.584 -0.311 0.000 1.163 219 A CA 1.221 52.991 52.037 -0.445 0.000 0.646 219 A CB -0.256 17.962 19.000 -1.303 0.000 0.806 219 A HN 0.222 nan 8.150 nan 0.000 0.448 220 K N -0.819 119.387 120.400 -0.324 0.000 2.001 220 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 220 K C 1.766 178.223 176.600 -0.239 0.000 1.048 220 K CA 1.635 57.737 56.287 -0.308 0.000 0.932 220 K CB -0.649 31.586 32.500 -0.442 0.000 0.715 220 K HN 0.686 nan 8.250 nan 0.000 0.437 221 Y N 0.818 121.110 120.300 -0.013 0.000 2.293 221 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 221 Y C 2.214 178.250 175.900 0.227 0.000 1.137 221 Y CA 0.254 58.376 58.100 0.037 0.000 1.202 221 Y CB -0.144 38.203 38.460 -0.190 0.000 0.990 221 Y HN -0.045 nan 8.280 nan 0.000 0.537 222 L N 0.062 121.486 121.223 0.337 0.000 2.131 222 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 222 L C 2.315 179.051 176.870 -0.223 0.000 1.092 222 L CA 1.858 56.712 54.840 0.023 0.000 0.759 222 L CB -0.918 41.024 42.059 -0.196 0.000 0.903 222 L HN 0.154 nan 8.230 nan 0.000 0.435 223 A N -1.487 121.337 122.820 0.007 0.000 1.968 223 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 223 A C 2.267 179.963 177.584 0.187 0.000 1.169 223 A CA 1.318 53.455 52.037 0.167 0.000 0.638 223 A CB -0.511 18.581 19.000 0.152 0.000 0.812 223 A HN 0.600 nan 8.150 nan 0.000 0.446 224 Q N -1.181 118.721 119.800 0.169 0.000 2.050 224 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 224 Q C 2.011 178.148 176.000 0.229 0.000 0.980 224 Q CA 1.754 57.668 55.803 0.186 0.000 0.840 224 Q CB -0.308 28.559 28.738 0.215 0.000 0.898 224 Q HN 0.844 nan 8.270 nan 0.000 0.424 225 W N 0.442 121.793 121.300 0.084 0.000 2.358 225 W HA -0.243 4.417 4.660 -0.000 0.000 0.303 225 W C 1.280 177.842 176.519 0.071 0.000 1.208 225 W CA 1.308 58.693 57.345 0.067 0.000 1.274 225 W CB -0.456 29.042 29.460 0.064 0.000 1.138 225 W HN 0.294 nan 8.180 nan 0.000 0.515 226 Y N 0.847 121.361 120.300 0.358 0.000 2.224 226 Y HA -0.219 4.331 4.550 -0.000 0.000 0.289 226 Y C 3.095 179.043 175.900 0.080 0.000 1.146 226 Y CA 1.710 59.938 58.100 0.212 0.000 1.182 226 Y CB -1.561 36.998 38.460 0.165 0.000 0.983 226 Y HN -0.115 nan 8.280 nan 0.000 0.524 227 S N 0.519 116.357 115.700 0.230 0.000 2.361 227 S HA -0.220 4.250 4.470 -0.000 0.000 0.214 227 S C 1.601 176.221 174.600 0.032 0.000 1.034 227 S CA 1.491 59.760 58.200 0.115 0.000 1.025 227 S CB -0.489 62.770 63.200 0.099 0.000 0.996 227 S HN 0.641 nan 8.310 nan 0.000 0.422 228 E N -0.135 120.052 120.200 -0.022 0.000 2.445 228 E HA 0.017 4.367 4.350 -0.000 0.000 0.204 228 E C 0.589 177.078 176.600 -0.185 0.000 1.194 228 E CA 0.807 57.148 56.400 -0.097 0.000 0.950 228 E CB -0.319 29.309 29.700 -0.119 0.000 0.976 228 E HN 0.403 nan 8.360 nan 0.000 0.519 229 T N -0.250 114.222 114.554 -0.136 0.000 3.073 229 T HA 0.044 4.394 4.350 -0.000 0.000 0.264 229 T C -0.213 174.482 174.700 -0.010 0.000 0.893 229 T CA -0.430 61.582 62.100 -0.146 0.000 0.863 229 T CB 0.369 69.076 68.868 -0.268 0.000 1.247 229 T HN 0.152 nan 8.240 nan 0.000 0.546 230 N N 1.183 119.904 118.700 0.035 0.000 2.858 230 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 230 N C 0.749 176.304 175.510 0.076 0.000 1.092 230 N CA 0.784 53.862 53.050 0.046 0.000 0.675 230 N CB -1.582 36.918 38.487 0.021 0.000 0.959 230 N HN 0.768 nan 8.380 nan 0.000 0.558 231 G N 0.344 109.226 108.800 0.136 0.000 2.283 231 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.280 231 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.280 231 G C 0.069 175.087 174.900 0.198 0.000 1.029 231 G CA 0.876 46.033 45.100 0.094 0.000 0.840 231 G HN 0.726 nan 8.290 nan 0.000 0.505 232 R N -0.363 120.360 120.500 0.372 0.000 2.338 232 R HA 0.691 5.031 4.340 -0.000 0.000 0.317 232 R C 0.193 176.844 176.300 0.586 0.000 0.968 232 R CA -0.998 55.319 56.100 0.362 0.000 0.849 232 R CB 0.695 31.148 30.300 0.255 0.000 1.128 232 R HN 0.323 nan 8.270 nan 0.000 0.448 233 I N 5.727 126.539 120.570 0.403 0.000 2.440 233 I HA 0.366 4.536 4.170 -0.000 0.000 0.294 233 I C -2.042 174.046 176.117 -0.049 0.000 0.995 233 I CA -2.752 58.649 61.300 0.168 0.000 1.306 233 I CB 1.727 39.839 38.000 0.187 0.000 1.407 233 I HN 0.579 nan 8.210 nan 0.000 0.501 234 P HA -0.022 nan 4.420 nan 0.000 0.253 234 P C -0.487 176.698 177.300 -0.192 0.000 1.170 234 P CA 0.510 63.346 63.100 -0.441 0.000 0.806 234 P CB 0.296 31.425 31.700 -0.952 0.000 0.775 235 K N 1.941 122.317 120.400 -0.041 0.000 2.367 235 K HA 0.080 4.400 4.320 -0.000 0.000 0.198 235 K C 0.230 176.832 176.600 0.004 0.000 1.132 235 K CA 0.368 56.647 56.287 -0.013 0.000 0.941 235 K CB 0.371 32.874 32.500 0.006 0.000 1.052 235 K HN 0.228 nan 8.250 nan 0.000 0.507 236 T N 0.996 115.567 114.554 0.029 0.000 2.900 236 T HA 0.032 4.382 4.350 -0.000 0.000 0.307 236 T C 0.792 175.583 174.700 0.152 0.000 1.065 236 T CA -0.121 61.999 62.100 0.034 0.000 1.105 236 T CB 0.446 69.356 68.868 0.071 0.000 0.979 236 T HN 0.149 nan 8.240 nan 0.000 0.544 237 Y N 0.641 120.948 120.300 0.011 0.000 2.293 237 Y HA -0.166 4.384 4.550 -0.000 0.000 0.291 237 Y C 2.510 178.420 175.900 0.016 0.000 1.137 237 Y CA 0.660 58.763 58.100 0.004 0.000 1.202 237 Y CB 0.007 38.470 38.460 0.006 0.000 0.990 237 Y HN 0.524 nan 8.280 nan 0.000 0.537 238 K N 1.285 121.803 120.400 0.197 0.000 2.025 238 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 238 K C 1.406 178.094 176.600 0.148 0.000 1.049 238 K CA 1.896 58.268 56.287 0.142 0.000 0.933 238 K CB -0.427 32.144 32.500 0.119 0.000 0.714 238 K HN 0.262 nan 8.250 nan 0.000 0.438 239 E N 0.799 121.096 120.200 0.161 0.000 2.077 239 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 239 E C 1.959 178.585 176.600 0.043 0.000 0.989 239 E CA 1.311 57.827 56.400 0.194 0.000 0.800 239 E CB -0.108 29.709 29.700 0.196 0.000 0.746 239 E HN 0.370 nan 8.360 nan 0.000 0.452 240 K N 0.700 121.110 120.400 0.015 0.000 2.147 240 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 240 K C 2.052 178.675 176.600 0.037 0.000 1.049 240 K CA 1.045 57.324 56.287 -0.015 0.000 0.936 240 K CB -0.053 32.451 32.500 0.005 0.000 0.722 240 K HN -0.023 nan 8.250 nan 0.000 0.446 241 E N 1.147 121.379 120.200 0.052 0.000 2.208 241 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 241 E C 1.268 177.905 176.600 0.061 0.000 0.988 241 E CA 1.046 57.468 56.400 0.038 0.000 0.828 241 E CB 0.078 29.798 29.700 0.035 0.000 0.763 241 E HN 0.157 nan 8.360 nan 0.000 0.478 242 D N -0.805 119.672 120.400 0.128 0.000 2.137 242 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 242 D C 1.494 177.923 176.300 0.216 0.000 0.970 242 D CA 0.495 54.618 54.000 0.205 0.000 0.837 242 D CB -0.307 40.710 40.800 0.362 0.000 0.981 242 D HN 0.182 nan 8.370 nan 0.000 0.475 243 F N 2.246 122.150 119.950 -0.077 0.000 2.095 243 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 243 F C 2.240 177.958 175.800 -0.136 0.000 1.104 243 F CA 1.457 59.322 58.000 -0.225 0.000 1.232 243 F CB -0.056 38.612 39.000 -0.552 0.000 0.987 243 F HN -0.192 nan 8.300 nan 0.000 0.475 244 R N 0.123 120.549 120.500 -0.123 0.000 2.083 244 R HA -0.202 4.137 4.340 -0.000 0.000 0.237 244 R C 1.903 178.066 176.300 -0.228 0.000 1.137 244 R CA 1.979 57.956 56.100 -0.205 0.000 0.951 244 R CB -0.866 29.380 30.300 -0.090 0.000 0.851 244 R HN 0.275 nan 8.270 nan 0.000 0.434 245 D N 0.598 120.923 120.400 -0.125 0.000 2.116 245 D HA -0.176 4.463 4.640 -0.000 0.000 0.193 245 D C 1.680 177.878 176.300 -0.170 0.000 0.998 245 D CA 0.849 54.785 54.000 -0.107 0.000 0.836 245 D CB -0.143 40.639 40.800 -0.029 0.000 0.951 245 D HN 0.001 nan 8.370 nan 0.000 0.449 246 L N 0.273 121.389 121.223 -0.178 0.000 2.261 246 L HA -0.107 4.233 4.340 -0.000 0.000 0.216 246 L C 1.687 178.213 176.870 -0.574 0.000 1.114 246 L CA 1.313 56.016 54.840 -0.229 0.000 0.777 246 L CB -0.131 41.874 42.059 -0.091 0.000 0.910 246 L HN 0.157 nan 8.230 nan 0.000 0.440 247 I N -1.583 118.582 120.570 -0.677 0.000 2.429 247 I HA -0.145 4.025 4.170 -0.000 0.000 0.247 247 I C 2.399 178.261 176.117 -0.426 0.000 1.099 247 I CA 0.450 61.249 61.300 -0.835 0.000 1.422 247 I CB -0.357 37.290 38.000 -0.588 0.000 1.112 247 I HN 0.126 nan 8.210 nan 0.000 0.430 248 R N 0.840 121.176 120.500 -0.273 0.000 2.159 248 R HA -0.215 4.125 4.340 -0.000 0.000 0.237 248 R C 1.766 177.931 176.300 -0.225 0.000 1.131 248 R CA 0.894 56.871 56.100 -0.205 0.000 0.982 248 R CB -0.406 29.810 30.300 -0.140 0.000 0.868 248 R HN 0.454 nan 8.270 nan 0.000 0.453 249 Q N 0.114 119.782 119.800 -0.220 0.000 2.319 249 Q HA -0.030 4.310 4.340 -0.000 0.000 0.217 249 Q C 0.490 176.413 176.000 -0.128 0.000 0.924 249 Q CA 0.280 55.993 55.803 -0.150 0.000 0.964 249 Q CB 0.176 28.842 28.738 -0.119 0.000 1.025 249 Q HN 0.403 nan 8.270 nan 0.000 0.465 250 G N -0.172 108.504 108.800 -0.207 0.000 3.873 250 G HA2 0.163 4.123 3.960 -0.000 0.000 0.232 250 G HA3 0.163 4.123 3.960 -0.000 0.000 0.232 250 G C 0.080 174.702 174.900 -0.463 0.000 1.097 250 G CA -0.328 44.694 45.100 -0.129 0.000 0.889 250 G HN 0.288 nan 8.290 nan 0.000 0.532 251 I N 2.472 122.726 120.570 -0.527 0.000 2.257 251 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 251 I C -0.336 175.635 176.117 -0.243 0.000 1.137 251 I CA -0.265 60.703 61.300 -0.553 0.000 1.255 251 I CB 1.069 38.816 38.000 -0.421 0.000 1.485 251 I HN -0.103 nan 8.210 nan 0.000 0.534 252 L N 6.649 127.778 121.223 -0.156 0.000 2.272 252 L HA 0.456 4.796 4.340 -0.000 0.000 0.284 252 L C 0.472 177.316 176.870 -0.044 0.000 1.045 252 L CA 0.291 55.086 54.840 -0.075 0.000 0.842 252 L CB 0.373 42.406 42.059 -0.043 0.000 1.224 252 L HN 0.848 nan 8.230 nan 0.000 0.430 260 E N 1.068 121.268 120.200 0.000 0.000 2.330 260 E HA 0.107 4.457 4.350 -0.000 0.000 0.210 260 E C -0.659 175.950 176.600 0.014 0.000 1.256 260 E CA 0.315 56.716 56.400 0.001 0.000 1.346 260 E CB 0.164 29.865 29.700 0.002 0.000 1.308 260 E HN 0.287 nan 8.360 nan 0.000 0.441 261 D N 0.776 121.189 120.400 0.021 0.000 2.411 261 D HA 0.235 4.875 4.640 -0.000 0.000 0.239 261 D C -1.026 175.312 176.300 0.065 0.000 1.307 261 D CA -0.138 53.887 54.000 0.042 0.000 0.930 261 D CB 0.637 41.459 40.800 0.037 0.000 1.395 261 D HN -0.087 nan 8.370 nan 0.000 0.536 262 E N 0.989 121.236 120.200 0.078 0.000 2.721 262 E HA 0.039 4.389 4.350 -0.000 0.000 0.392 262 E C 0.179 176.865 176.600 0.142 0.000 1.068 262 E CA -0.011 56.476 56.400 0.144 0.000 0.744 262 E CB 1.074 30.847 29.700 0.121 0.000 1.593 262 E HN 0.310 nan 8.360 nan 0.000 0.382 263 E N 2.131 122.409 120.200 0.131 0.000 2.166 263 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 263 E C 1.216 177.882 176.600 0.110 0.000 0.967 263 E CA 1.245 57.704 56.400 0.099 0.000 0.840 263 E CB 0.215 29.963 29.700 0.081 0.000 0.795 263 E HN 0.560 nan 8.360 nan 0.000 0.470 264 N N -0.457 118.323 118.700 0.133 0.000 2.289 264 N HA -0.173 4.566 4.740 -0.000 0.000 0.184 264 N C 1.690 177.225 175.510 0.042 0.000 1.016 264 N CA 0.725 53.838 53.050 0.105 0.000 0.872 264 N CB -0.373 38.179 38.487 0.108 0.000 0.973 264 N HN 0.063 nan 8.380 nan 0.000 0.433 265 F N 1.084 121.035 119.950 0.002 0.000 2.186 265 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 265 F C 2.655 178.418 175.800 -0.062 0.000 1.090 265 F CA 1.041 59.020 58.000 -0.035 0.000 1.307 265 F CB -0.033 38.926 39.000 -0.068 0.000 1.019 265 F HN 0.083 nan 8.300 nan 0.000 0.489 266 E N 0.459 120.730 120.200 0.119 0.000 2.152 266 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 266 E C 1.966 178.532 176.600 -0.056 0.000 0.983 266 E CA 1.139 57.551 56.400 0.020 0.000 0.818 266 E CB -0.236 29.473 29.700 0.014 0.000 0.758 266 E HN 0.454 nan 8.360 nan 0.000 0.467 267 E N -0.645 119.522 120.200 -0.055 0.000 2.106 267 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 267 E C 1.812 178.219 176.600 -0.322 0.000 0.984 267 E CA 0.859 57.162 56.400 -0.162 0.000 0.806 267 E CB -0.141 29.533 29.700 -0.043 0.000 0.750 267 E HN 0.329 nan 8.360 nan 0.000 0.458 268 A N 0.664 123.377 122.820 -0.179 0.000 2.019 268 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 268 A C 2.025 179.490 177.584 -0.198 0.000 1.164 268 A CA 0.919 52.840 52.037 -0.192 0.000 0.644 268 A CB -0.391 18.557 19.000 -0.088 0.000 0.805 268 A HN 0.273 nan 8.150 nan 0.000 0.449 269 I N -0.696 119.781 120.570 -0.155 0.000 2.333 269 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 269 I C 2.314 178.341 176.117 -0.151 0.000 1.106 269 I CA 1.163 62.384 61.300 -0.131 0.000 1.411 269 I CB -0.279 37.662 38.000 -0.099 0.000 1.082 269 I HN 0.252 nan 8.210 nan 0.000 0.420 270 K N 0.886 121.173 120.400 -0.188 0.000 2.044 270 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 270 K C 1.625 178.086 176.600 -0.231 0.000 1.049 270 K CA 1.463 57.633 56.287 -0.195 0.000 0.927 270 K CB -0.378 31.992 32.500 -0.217 0.000 0.713 270 K HN 0.318 nan 8.250 nan 0.000 0.443 271 N N 0.947 119.432 118.700 -0.359 0.000 2.550 271 N HA -0.071 4.668 4.740 -0.000 0.000 0.186 271 N C 1.545 176.956 175.510 -0.165 0.000 1.110 271 N CA 0.522 53.353 53.050 -0.366 0.000 0.912 271 N CB 0.101 38.117 38.487 -0.784 0.000 0.968 271 N HN -0.002 nan 8.380 nan 0.000 0.448 272 V N 1.361 121.214 119.914 -0.103 0.000 2.490 272 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 272 V C 2.129 178.199 176.094 -0.041 0.000 1.061 272 V CA 1.404 63.699 62.300 -0.008 0.000 1.064 272 V CB -0.687 31.174 31.823 0.063 0.000 0.670 272 V HN 0.365 nan 8.190 nan 0.000 0.461 273 N N -0.269 118.389 118.700 -0.070 0.000 2.364 273 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 273 N C 1.610 177.096 175.510 -0.040 0.000 1.022 273 N CA 1.918 54.925 53.050 -0.071 0.000 0.883 273 N CB 0.007 38.435 38.487 -0.097 0.000 0.965 273 N HN 0.459 nan 8.380 nan 0.000 0.438 274 T N -3.074 111.460 114.554 -0.033 0.000 2.992 274 T HA 0.394 4.744 4.350 -0.000 0.000 0.255 274 T C 1.196 175.918 174.700 0.037 0.000 0.938 274 T CA 0.282 62.384 62.100 0.004 0.000 0.895 274 T CB -0.341 68.529 68.868 0.002 0.000 1.221 274 T HN 0.191 nan 8.240 nan 0.000 0.512 275 A N 0.964 123.809 122.820 0.041 0.000 2.208 275 A HA 0.429 4.749 4.320 -0.000 0.000 0.209 275 A C 1.929 179.543 177.584 0.050 0.000 1.161 275 A CA 0.279 52.372 52.037 0.094 0.000 0.782 275 A CB -0.522 18.580 19.000 0.171 0.000 0.816 275 A HN 0.550 nan 8.150 nan 0.000 0.477 276 L N -0.997 120.220 121.223 -0.010 0.000 2.492 276 L HA 0.095 4.435 4.340 -0.000 0.000 0.223 276 L C 0.526 177.389 176.870 -0.012 0.000 1.132 276 L CA 0.620 55.422 54.840 -0.063 0.000 0.850 276 L CB -0.197 41.769 42.059 -0.155 0.000 0.966 276 L HN 0.544 nan 8.230 nan 0.000 0.454 277 N N -1.127 117.589 118.700 0.025 0.000 2.747 277 N HA 0.047 4.787 4.740 -0.000 0.000 0.262 277 N C 0.392 175.938 175.510 0.060 0.000 1.261 277 N CA 0.176 53.252 53.050 0.043 0.000 0.809 277 N CB 0.961 39.469 38.487 0.035 0.000 1.450 277 N HN -0.090 nan 8.380 nan 0.000 0.560 278 T N -2.258 112.343 114.554 0.078 0.000 2.989 278 T HA 0.129 4.479 4.350 -0.000 0.000 0.250 278 T C 0.582 175.333 174.700 0.085 0.000 0.981 278 T CA 0.364 62.517 62.100 0.088 0.000 0.980 278 T CB 0.240 69.175 68.868 0.112 0.000 1.133 278 T HN 0.180 nan 8.240 nan 0.000 0.489 279 T N 3.201 117.810 114.554 0.091 0.000 2.749 279 T HA 0.594 4.944 4.350 -0.000 0.000 0.295 279 T C -0.742 173.999 174.700 0.068 0.000 0.936 279 T CA -0.227 61.927 62.100 0.089 0.000 1.060 279 T CB 0.598 69.535 68.868 0.114 0.000 0.904 279 T HN 0.482 nan 8.240 nan 0.000 0.500 280 Q N 3.049 122.882 119.800 0.054 0.000 2.872 280 Q HA 0.137 4.477 4.340 -0.000 0.000 0.221 280 Q C -1.440 174.575 176.000 0.025 0.000 0.998 280 Q CA -0.532 55.297 55.803 0.044 0.000 1.078 280 Q CB 1.114 29.876 28.738 0.041 0.000 1.890 280 Q HN 0.630 nan 8.270 nan 0.000 0.512 281 I N 5.004 125.592 120.570 0.029 0.000 2.668 281 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 281 I C -1.874 174.225 176.117 -0.031 0.000 1.168 281 I CA -1.202 60.097 61.300 -0.002 0.000 1.424 281 I CB 0.337 38.356 38.000 0.033 0.000 1.377 281 I HN 0.416 nan 8.210 nan 0.000 0.560 282 P HA -0.009 nan 4.420 nan 0.000 0.268 282 P C 0.666 177.925 177.300 -0.069 0.000 1.204 282 P CA 0.091 63.153 63.100 -0.064 0.000 0.768 282 P CB 0.914 32.560 31.700 -0.091 0.000 0.842 283 S N 2.584 118.267 115.700 -0.028 0.000 2.383 283 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 283 S C 1.899 176.482 174.600 -0.029 0.000 1.030 283 S CA 2.070 60.260 58.200 -0.016 0.000 1.002 283 S CB -0.755 62.449 63.200 0.007 0.000 0.829 283 S HN 0.586 nan 8.310 nan 0.000 0.467 284 S N 0.391 116.071 115.700 -0.034 0.000 2.402 284 S HA -0.010 4.460 4.470 -0.000 0.000 0.229 284 S C 1.711 176.260 174.600 -0.085 0.000 1.021 284 S CA 0.950 59.132 58.200 -0.030 0.000 0.974 284 S CB -0.604 62.590 63.200 -0.009 0.000 0.800 284 S HN 0.443 nan 8.310 nan 0.000 0.484 285 I N 2.419 122.880 120.570 -0.182 0.000 2.202 285 I HA -0.056 4.114 4.170 -0.000 0.000 0.242 285 I C 2.720 178.561 176.117 -0.461 0.000 1.091 285 I CA 1.222 62.288 61.300 -0.390 0.000 1.368 285 I CB -0.532 37.133 38.000 -0.557 0.000 1.058 285 I HN 0.171 nan 8.210 nan 0.000 0.410 286 E N 0.573 120.600 120.200 -0.289 0.000 2.147 286 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 286 E C 1.769 178.398 176.600 0.049 0.000 1.005 286 E CA 1.405 57.764 56.400 -0.069 0.000 0.810 286 E CB -0.415 29.294 29.700 0.017 0.000 0.736 286 E HN 0.515 nan 8.360 nan 0.000 0.460 287 D N 0.032 120.447 120.400 0.025 0.000 2.178 287 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 287 D C 2.127 178.525 176.300 0.163 0.000 0.974 287 D CA 0.505 54.558 54.000 0.088 0.000 0.841 287 D CB -0.079 40.764 40.800 0.071 0.000 0.953 287 D HN 0.255 nan 8.370 nan 0.000 0.478 288 I N 0.027 120.681 120.570 0.141 0.000 2.162 288 I HA -0.196 3.974 4.170 -0.000 0.000 0.238 288 I C 2.339 178.719 176.117 0.437 0.000 1.076 288 I CA 0.587 62.066 61.300 0.299 0.000 1.353 288 I CB -0.413 37.663 38.000 0.126 0.000 1.063 288 I HN -0.069 nan 8.210 nan 0.000 0.408 289 F N 1.481 121.523 119.950 0.154 0.000 2.063 289 F HA -0.363 4.164 4.527 -0.000 0.000 0.297 289 F C 2.263 178.136 175.800 0.120 0.000 1.099 289 F CA 1.240 59.309 58.000 0.115 0.000 1.220 289 F CB -0.470 38.566 39.000 0.061 0.000 0.972 289 F HN 0.264 nan 8.300 nan 0.000 0.487 290 N N 0.003 118.896 118.700 0.321 0.000 2.467 290 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 290 N C 0.226 175.826 175.510 0.149 0.000 1.106 290 N CA 0.351 53.513 53.050 0.186 0.000 0.892 290 N CB -0.632 37.942 38.487 0.144 0.000 0.969 290 N HN 0.282 nan 8.380 nan 0.000 0.454 291 D N 1.281 121.805 120.400 0.207 0.000 2.419 291 D HA -0.113 4.527 4.640 -0.000 0.000 0.236 291 D C 0.803 177.110 176.300 0.012 0.000 1.165 291 D CA 0.239 54.316 54.000 0.128 0.000 0.882 291 D CB 1.096 42.038 40.800 0.237 0.000 1.201 291 D HN 0.105 nan 8.370 nan 0.000 0.443 292 D N 2.564 122.921 120.400 -0.071 0.000 2.097 292 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 292 D C 1.755 177.931 176.300 -0.206 0.000 0.989 292 D CA 0.786 54.724 54.000 -0.104 0.000 0.827 292 D CB 0.159 40.901 40.800 -0.097 0.000 0.966 292 D HN 0.305 nan 8.370 nan 0.000 0.456 293 R N 0.254 120.486 120.500 -0.446 0.000 2.185 293 R HA -0.156 4.184 4.340 -0.000 0.000 0.247 293 R C 2.438 178.478 176.300 -0.434 0.000 1.159 293 R CA 1.291 56.971 56.100 -0.700 0.000 0.988 293 R CB -1.017 28.346 30.300 -1.562 0.000 0.871 293 R HN 0.326 nan 8.270 nan 0.000 0.458 294 C N -1.246 117.961 119.300 -0.154 0.000 2.519 294 C HA 0.217 4.677 4.460 -0.000 0.000 0.281 294 C C 2.356 177.398 174.990 0.087 0.000 1.331 294 C CA -0.054 59.106 59.018 0.235 0.000 1.725 294 C CB -0.767 27.248 27.740 0.458 0.000 2.079 294 C HN 0.592 nan 8.230 nan 0.000 0.496 295 I N 1.519 122.106 120.570 0.029 0.000 2.226 295 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 295 I C 0.157 176.266 176.117 -0.015 0.000 1.100 295 I CA 1.177 62.479 61.300 0.004 0.000 1.374 295 I CB -0.371 37.629 38.000 -0.000 0.000 1.057 295 I HN 0.464 nan 8.210 nan 0.000 0.413 296 N N 1.465 120.144 118.700 -0.035 0.000 2.446 296 N HA 0.412 5.152 4.740 -0.000 0.000 0.265 296 N C -0.828 174.660 175.510 -0.036 0.000 0.975 296 N CA -0.331 52.698 53.050 -0.035 0.000 0.928 296 N CB 2.252 40.712 38.487 -0.044 0.000 1.160 296 N HN -0.082 nan 8.380 nan 0.000 0.495 297 I N 0.774 121.336 120.570 -0.014 0.000 2.676 297 I HA 0.509 4.678 4.170 -0.000 0.000 0.309 297 I C 1.131 177.246 176.117 -0.004 0.000 0.990 297 I CA -0.359 60.940 61.300 -0.000 0.000 1.168 297 I CB 1.676 39.687 38.000 0.018 0.000 1.343 297 I HN 0.576 nan 8.210 nan 0.000 0.482 298 T N -0.815 113.740 114.554 0.003 0.000 2.665 298 T HA 0.408 4.758 4.350 -0.000 0.000 0.303 298 T C 0.310 175.017 174.700 0.011 0.000 1.334 298 T CA -0.866 61.235 62.100 0.002 0.000 1.011 298 T CB 1.131 69.995 68.868 -0.006 0.000 1.573 298 T HN 0.486 nan 8.240 nan 0.000 0.492 299 K N 0.022 120.427 120.400 0.010 0.000 2.288 299 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 299 K C 2.155 178.766 176.600 0.018 0.000 1.048 299 K CA 0.812 57.108 56.287 0.014 0.000 0.956 299 K CB -0.001 32.505 32.500 0.010 0.000 0.746 299 K HN 0.434 nan 8.250 nan 0.000 0.461 300 Q N 0.281 120.088 119.800 0.012 0.000 2.123 300 Q HA -0.025 4.315 4.340 -0.000 0.000 0.199 300 Q C 0.554 176.570 176.000 0.026 0.000 0.966 300 Q CA 0.767 56.577 55.803 0.013 0.000 0.845 300 Q CB -0.563 28.175 28.738 -0.000 0.000 0.907 300 Q HN 0.150 nan 8.270 nan 0.000 0.439 301 T N 5.069 119.640 114.554 0.028 0.000 2.800 301 T HA 0.035 4.385 4.350 -0.000 0.000 0.283 301 T C -2.038 172.728 174.700 0.110 0.000 0.999 301 T CA -0.484 61.653 62.100 0.062 0.000 1.176 301 T CB 0.444 69.351 68.868 0.064 0.000 0.973 301 T HN 0.181 nan 8.240 nan 0.000 0.519 302 P HA 0.183 nan 4.420 nan 0.000 0.277 302 P C 1.017 178.428 177.300 0.185 0.000 1.271 302 P CA -0.457 62.751 63.100 0.181 0.000 0.795 302 P CB 0.798 32.638 31.700 0.232 0.000 1.101 303 S N 0.169 115.945 115.700 0.127 0.000 2.351 303 S HA -0.212 4.258 4.470 -0.000 0.000 0.220 303 S C 1.792 176.420 174.600 0.047 0.000 1.035 303 S CA 1.223 59.468 58.200 0.076 0.000 1.031 303 S CB -1.268 61.963 63.200 0.051 0.000 0.928 303 S HN 0.471 nan 8.310 nan 0.000 0.433 304 F N 0.544 120.464 119.950 -0.051 0.000 2.115 304 F HA -0.176 4.351 4.527 -0.000 0.000 0.300 304 F C 1.646 177.293 175.800 -0.254 0.000 1.092 304 F CA 2.061 59.943 58.000 -0.196 0.000 1.245 304 F CB -0.589 38.211 39.000 -0.335 0.000 0.995 304 F HN 0.359 nan 8.300 nan 0.000 0.481 305 W N 0.332 121.636 121.300 0.007 0.000 2.418 305 W HA -0.042 4.618 4.660 -0.000 0.000 0.292 305 W C 2.399 178.835 176.519 -0.138 0.000 1.213 305 W CA 1.083 58.389 57.345 -0.066 0.000 1.283 305 W CB -0.463 29.050 29.460 0.088 0.000 1.119 305 W HN -0.015 nan 8.180 nan 0.000 0.542 306 I N -0.007 120.611 120.570 0.081 0.000 2.286 306 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 306 I C 2.087 178.163 176.117 -0.068 0.000 1.115 306 I CA 1.296 62.611 61.300 0.024 0.000 1.392 306 I CB -0.575 37.442 38.000 0.028 0.000 1.065 306 I HN -0.016 nan 8.210 nan 0.000 0.418 307 L N 0.247 121.363 121.223 -0.178 0.000 2.093 307 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 307 L C 2.824 179.541 176.870 -0.254 0.000 1.085 307 L CA 1.202 55.910 54.840 -0.221 0.000 0.755 307 L CB -0.684 41.197 42.059 -0.296 0.000 0.904 307 L HN 0.215 nan 8.230 nan 0.000 0.435 308 A N 0.484 123.061 122.820 -0.404 0.000 1.858 308 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 308 A C 2.339 179.911 177.584 -0.020 0.000 1.190 308 A CA 1.963 53.841 52.037 -0.264 0.000 0.617 308 A CB -0.562 18.196 19.000 -0.404 0.000 0.827 308 A HN 0.325 nan 8.150 nan 0.000 0.443 309 R N 0.415 120.916 120.500 0.002 0.000 2.127 309 R HA -0.074 4.265 4.340 -0.000 0.000 0.238 309 R C 1.951 178.197 176.300 -0.090 0.000 1.134 309 R CA 2.058 58.153 56.100 -0.009 0.000 0.975 309 R CB -0.884 29.438 30.300 0.037 0.000 0.865 309 R HN 0.407 nan 8.270 nan 0.000 0.447 310 A N 0.170 122.949 122.820 -0.068 0.000 1.897 310 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 310 A C 1.999 179.536 177.584 -0.079 0.000 1.181 310 A CA 1.161 53.164 52.037 -0.056 0.000 0.620 310 A CB -0.565 18.439 19.000 0.007 0.000 0.821 310 A HN 0.321 nan 8.150 nan 0.000 0.443 311 L N 0.120 121.317 121.223 -0.043 0.000 2.083 311 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 311 L C 2.328 179.138 176.870 -0.100 0.000 1.083 311 L CA 2.281 57.140 54.840 0.031 0.000 0.752 311 L CB -0.641 41.494 42.059 0.127 0.000 0.899 311 L HN 0.495 nan 8.230 nan 0.000 0.433 312 K N -0.936 119.209 120.400 -0.426 0.000 2.097 312 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 312 K C 1.894 178.189 176.600 -0.507 0.000 1.049 312 K CA 1.254 56.973 56.287 -0.946 0.000 0.933 312 K CB 0.096 32.087 32.500 -0.849 0.000 0.717 312 K HN 0.273 nan 8.250 nan 0.000 0.442 313 E N 0.091 120.049 120.200 -0.403 0.000 2.072 313 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 313 E C 1.786 178.097 176.600 -0.483 0.000 0.985 313 E CA 0.905 57.001 56.400 -0.506 0.000 0.801 313 E CB -0.343 28.890 29.700 -0.779 0.000 0.750 313 E HN 0.327 nan 8.360 nan 0.000 0.452 314 F N 1.834 121.528 119.950 -0.427 0.000 2.069 314 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 314 F C 2.276 178.020 175.800 -0.093 0.000 1.113 314 F CA 1.273 59.198 58.000 -0.125 0.000 1.214 314 F CB -0.334 38.661 39.000 -0.008 0.000 0.978 314 F HN -0.207 nan 8.300 nan 0.000 0.474 315 V N 0.678 120.617 119.914 0.041 0.000 2.370 315 V HA -0.371 3.749 4.120 -0.000 0.000 0.252 315 V C 2.627 178.633 176.094 -0.146 0.000 1.068 315 V CA 1.923 64.222 62.300 -0.002 0.000 1.061 315 V CB -1.869 29.991 31.823 0.062 0.000 0.656 315 V HN 0.534 nan 8.190 nan 0.000 0.455 316 A N -0.967 121.735 122.820 -0.197 0.000 1.975 316 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 316 A C 2.292 179.775 177.584 -0.168 0.000 1.170 316 A CA 1.653 53.590 52.037 -0.167 0.000 0.656 316 A CB -0.123 18.776 19.000 -0.168 0.000 0.821 316 A HN 0.537 nan 8.150 nan 0.000 0.449 317 K N -0.342 119.932 120.400 -0.210 0.000 2.230 317 K HA -0.006 4.314 4.320 -0.000 0.000 0.219 317 K C 1.461 177.918 176.600 -0.239 0.000 1.033 317 K CA 0.751 56.941 56.287 -0.162 0.000 0.937 317 K CB 0.011 32.475 32.500 -0.060 0.000 1.018 317 K HN 0.347 nan 8.250 nan 0.000 0.463 318 E N -0.259 119.707 120.200 -0.390 0.000 2.479 318 E HA 0.035 4.385 4.350 -0.000 0.000 0.193 318 E C 1.289 177.430 176.600 -0.766 0.000 1.049 318 E CA 0.506 56.627 56.400 -0.466 0.000 0.870 318 E CB 0.872 30.376 29.700 -0.327 0.000 0.944 318 E HN 0.476 nan 8.360 nan 0.000 0.492 319 G N 0.862 109.088 108.800 -0.956 0.000 2.744 319 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.211 319 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.211 319 G C 0.651 175.440 174.900 -0.185 0.000 1.146 319 G CA -0.202 44.505 45.100 -0.655 0.000 0.787 319 G HN 0.218 nan 8.290 nan 0.000 0.534 320 Q N -1.109 118.579 119.800 -0.186 0.000 2.434 320 Q HA -0.245 4.095 4.340 -0.000 0.000 0.299 320 Q C 1.417 177.401 176.000 -0.027 0.000 1.286 320 Q CA 0.453 56.207 55.803 -0.082 0.000 0.872 320 Q CB -1.733 26.976 28.738 -0.049 0.000 1.193 320 Q HN 1.078 nan 8.270 nan 0.000 0.466 321 G N -1.206 107.582 108.800 -0.021 0.000 2.259 321 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.217 321 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.217 321 G C -0.060 174.887 174.900 0.079 0.000 1.001 321 G CA 0.044 45.161 45.100 0.028 0.000 0.627 321 G HN 0.421 nan 8.290 nan 0.000 0.501 322 N N -0.212 118.547 118.700 0.099 0.000 2.292 322 N HA 0.708 5.447 4.740 -0.000 0.000 0.303 322 N C 0.181 175.838 175.510 0.246 0.000 1.140 322 N CA -0.899 52.241 53.050 0.150 0.000 0.788 322 N CB 1.753 40.316 38.487 0.126 0.000 1.361 322 N HN 0.238 nan 8.380 nan 0.000 0.489 323 L N 1.461 122.809 121.223 0.208 0.000 2.472 323 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 323 L C -1.728 175.227 176.870 0.141 0.000 1.254 323 L CA -1.270 53.684 54.840 0.190 0.000 0.823 323 L CB -0.274 41.809 42.059 0.040 0.000 1.096 323 L HN 0.348 nan 8.230 nan 0.000 0.521 324 P HA -0.006 nan 4.420 nan 0.000 0.267 324 P C -0.526 176.702 177.300 -0.120 0.000 1.200 324 P CA -0.223 62.711 63.100 -0.277 0.000 0.772 324 P CB 0.507 31.816 31.700 -0.653 0.000 0.855 325 V N 4.617 124.474 119.914 -0.096 0.000 2.617 325 V HA -0.067 4.053 4.120 -0.000 0.000 0.304 325 V C 2.443 178.505 176.094 -0.054 0.000 1.040 325 V CA 0.426 62.693 62.300 -0.057 0.000 1.149 325 V CB -0.447 31.266 31.823 -0.182 0.000 0.914 325 V HN 0.649 nan 8.190 nan 0.000 0.487 326 R N 3.132 123.633 120.500 0.001 0.000 2.094 326 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 326 R C 1.697 178.001 176.300 0.006 0.000 1.137 326 R CA 2.025 58.121 56.100 -0.005 0.000 0.943 326 R CB -0.318 30.000 30.300 0.030 0.000 0.850 326 R HN 1.137 nan 8.270 nan 0.000 0.433 327 G N -1.422 107.410 108.800 0.053 0.000 2.253 327 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.209 327 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.209 327 G C 0.224 175.144 174.900 0.033 0.000 0.997 327 G CA 0.288 45.421 45.100 0.055 0.000 0.640 327 G HN 0.604 nan 8.290 nan 0.000 0.496 328 T N -0.349 114.205 114.554 -0.001 0.000 2.952 328 T HA 0.821 5.171 4.350 -0.000 0.000 0.286 328 T C 0.114 174.732 174.700 -0.137 0.000 1.024 328 T CA -0.204 61.874 62.100 -0.037 0.000 1.029 328 T CB 2.531 71.403 68.868 0.007 0.000 1.094 328 T HN 1.475 nan 8.240 nan 0.000 0.515 329 I N -2.262 118.215 120.570 -0.155 0.000 3.102 329 I HA 0.698 4.868 4.170 -0.000 0.000 0.310 329 I C -2.891 173.178 176.117 -0.080 0.000 1.246 329 I CA -2.913 58.244 61.300 -0.238 0.000 0.979 329 I CB 2.145 39.848 38.000 -0.495 0.000 1.267 329 I HN 0.478 nan 8.210 nan 0.000 0.451 330 P HA 0.150 nan 4.420 nan 0.000 0.275 330 P C -1.164 176.201 177.300 0.109 0.000 1.266 330 P CA 0.105 63.245 63.100 0.066 0.000 0.793 330 P CB 0.712 32.523 31.700 0.184 0.000 1.074 331 D N -0.088 120.397 120.400 0.140 0.000 2.329 331 D HA 0.454 5.094 4.640 -0.000 0.000 0.246 331 D C -0.389 175.996 176.300 0.142 0.000 1.111 331 D CA -0.256 53.807 54.000 0.105 0.000 0.941 331 D CB 0.309 41.093 40.800 -0.027 0.000 1.169 331 D HN 0.381 nan 8.370 nan 0.000 0.441 332 M N 1.266 120.933 119.600 0.112 0.000 2.307 332 M HA 0.320 4.800 4.480 -0.000 0.000 0.279 332 M C -1.091 175.289 176.300 0.133 0.000 1.080 332 M CA -0.853 54.551 55.300 0.174 0.000 0.964 332 M CB 1.048 33.546 32.600 -0.169 0.000 1.825 332 M HN 0.207 nan 8.290 nan 0.000 0.489 333 I N 3.498 124.165 120.570 0.161 0.000 3.085 333 I HA 0.177 4.347 4.170 -0.000 0.000 0.302 333 I C 0.484 176.671 176.117 0.117 0.000 1.234 333 I CA 0.950 62.309 61.300 0.098 0.000 1.396 333 I CB -0.258 37.812 38.000 0.117 0.000 1.385 333 I HN 0.880 nan 8.210 nan 0.000 0.533 334 A N 6.674 129.535 122.820 0.067 0.000 2.564 334 A HA 0.419 4.739 4.320 -0.000 0.000 0.291 334 A C -1.177 176.426 177.584 0.032 0.000 1.102 334 A CA -0.873 51.232 52.037 0.113 0.000 0.660 334 A CB 1.308 20.436 19.000 0.214 0.000 1.283 334 A HN 0.692 nan 8.150 nan 0.000 0.430 335 D N 0.732 121.175 120.400 0.072 0.000 2.225 335 D HA 0.343 4.983 4.640 -0.000 0.000 0.248 335 D C 0.836 177.178 176.300 0.071 0.000 1.096 335 D CA 0.421 54.428 54.000 0.012 0.000 0.863 335 D CB 1.485 42.321 40.800 0.061 0.000 1.156 335 D HN 0.344 nan 8.370 nan 0.000 0.450 336 S N 3.074 118.789 115.700 0.026 0.000 2.412 336 S HA -0.331 4.139 4.470 -0.000 0.000 0.311 336 S C 1.916 176.582 174.600 0.110 0.000 1.182 336 S CA 2.152 60.382 58.200 0.050 0.000 1.365 336 S CB -1.242 61.971 63.200 0.021 0.000 1.295 336 S HN 0.849 nan 8.310 nan 0.000 0.463 337 G N 1.392 110.248 108.800 0.093 0.000 2.476 337 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 337 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 337 G C 1.332 176.309 174.900 0.128 0.000 1.164 337 G CA 1.282 46.440 45.100 0.097 0.000 0.768 337 G HN 0.551 nan 8.290 nan 0.000 0.560 338 K N -0.924 119.572 120.400 0.160 0.000 2.097 338 K HA -0.091 4.228 4.320 -0.000 0.000 0.206 338 K C 2.186 178.910 176.600 0.206 0.000 1.049 338 K CA 1.198 57.613 56.287 0.213 0.000 0.933 338 K CB -0.284 32.371 32.500 0.259 0.000 0.717 338 K HN 0.467 nan 8.250 nan 0.000 0.442 339 Y N 1.299 121.649 120.300 0.082 0.000 2.184 339 Y HA -0.169 4.381 4.550 -0.000 0.000 0.290 339 Y C 1.910 177.824 175.900 0.024 0.000 1.129 339 Y CA 1.131 59.255 58.100 0.039 0.000 1.144 339 Y CB 0.123 38.584 38.460 0.002 0.000 0.995 339 Y HN -0.096 nan 8.280 nan 0.000 0.513 340 I N 0.884 121.590 120.570 0.227 0.000 2.361 340 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 340 I C 2.264 178.387 176.117 0.010 0.000 1.133 340 I CA 1.544 62.920 61.300 0.128 0.000 1.413 340 I CB -1.150 36.918 38.000 0.114 0.000 1.073 340 I HN 0.296 nan 8.210 nan 0.000 0.424 341 K N 0.966 121.373 120.400 0.012 0.000 2.062 341 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 341 K C 2.216 178.693 176.600 -0.205 0.000 1.051 341 K CA 0.903 57.164 56.287 -0.043 0.000 0.941 341 K CB -0.062 32.469 32.500 0.052 0.000 0.719 341 K HN 0.118 nan 8.250 nan 0.000 0.440 342 L N 1.769 122.876 121.223 -0.193 0.000 2.017 342 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 342 L C 2.414 179.187 176.870 -0.163 0.000 1.073 342 L CA 1.858 56.533 54.840 -0.275 0.000 0.745 342 L CB -0.737 41.265 42.059 -0.096 0.000 0.894 342 L HN 0.312 nan 8.230 nan 0.000 0.432 343 Q N -0.748 118.908 119.800 -0.240 0.000 2.248 343 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 343 Q C 1.628 177.609 176.000 -0.032 0.000 0.984 343 Q CA 1.940 57.642 55.803 -0.168 0.000 0.875 343 Q CB -0.088 28.542 28.738 -0.179 0.000 0.910 343 Q HN 0.622 nan 8.270 nan 0.000 0.433 344 N N -0.846 117.820 118.700 -0.058 0.000 2.415 344 N HA -0.050 4.690 4.740 -0.000 0.000 0.176 344 N C 1.640 177.122 175.510 -0.047 0.000 1.042 344 N CA 0.741 53.768 53.050 -0.038 0.000 0.902 344 N CB 0.230 38.691 38.487 -0.044 0.000 0.986 344 N HN 0.088 nan 8.380 nan 0.000 0.447 345 V N 0.855 120.704 119.914 -0.108 0.000 2.287 345 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 345 V C 1.763 177.840 176.094 -0.028 0.000 1.053 345 V CA 1.548 63.766 62.300 -0.136 0.000 1.027 345 V CB -0.762 30.855 31.823 -0.343 0.000 0.646 345 V HN 0.212 nan 8.190 nan 0.000 0.447 346 Y N 0.180 120.487 120.300 0.012 0.000 2.200 346 Y HA -0.162 4.388 4.550 -0.000 0.000 0.290 346 Y C 2.758 178.629 175.900 -0.048 0.000 1.137 346 Y CA 1.667 59.802 58.100 0.057 0.000 1.163 346 Y CB -0.358 38.124 38.460 0.037 0.000 0.988 346 Y HN 0.053 nan 8.280 nan 0.000 0.518 347 R N 0.093 120.653 120.500 0.101 0.000 2.083 347 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 347 R C 1.933 178.218 176.300 -0.026 0.000 1.137 347 R CA 1.593 57.706 56.100 0.022 0.000 0.951 347 R CB -0.211 30.096 30.300 0.010 0.000 0.851 347 R HN 0.327 nan 8.270 nan 0.000 0.434 348 E N 0.421 120.599 120.200 -0.037 0.000 2.347 348 E HA -0.161 4.189 4.350 -0.000 0.000 0.196 348 E C 1.674 178.214 176.600 -0.099 0.000 1.008 348 E CA 0.836 57.202 56.400 -0.058 0.000 0.852 348 E CB 0.092 29.764 29.700 -0.047 0.000 0.783 348 E HN 0.089 nan 8.360 nan 0.000 0.505 349 K N 1.392 121.698 120.400 -0.157 0.000 2.067 349 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 349 K C 1.952 178.396 176.600 -0.260 0.000 1.048 349 K CA 1.296 57.396 56.287 -0.311 0.000 0.954 349 K CB -0.461 31.584 32.500 -0.759 0.000 0.737 349 K HN -0.010 nan 8.250 nan 0.000 0.444 350 A N 1.176 123.877 122.820 -0.197 0.000 1.908 350 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 350 A C 2.151 179.654 177.584 -0.134 0.000 1.181 350 A CA 2.083 54.029 52.037 -0.152 0.000 0.627 350 A CB -0.610 18.338 19.000 -0.086 0.000 0.818 350 A HN 0.429 nan 8.150 nan 0.000 0.445 351 K N -0.212 120.126 120.400 -0.104 0.000 2.103 351 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 351 K C 1.955 178.506 176.600 -0.083 0.000 1.048 351 K CA 1.735 57.972 56.287 -0.084 0.000 0.930 351 K CB -0.109 32.353 32.500 -0.064 0.000 0.716 351 K HN 0.530 nan 8.250 nan 0.000 0.444 352 K N 0.034 120.382 120.400 -0.087 0.000 2.076 352 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 352 K C 1.635 178.210 176.600 -0.040 0.000 1.051 352 K CA 1.240 57.492 56.287 -0.059 0.000 0.949 352 K CB 0.005 32.472 32.500 -0.055 0.000 0.726 352 K HN 0.088 nan 8.250 nan 0.000 0.443 353 D N 1.081 121.436 120.400 -0.074 0.000 2.178 353 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 353 D C 1.743 177.903 176.300 -0.234 0.000 0.980 353 D CA 1.036 54.972 54.000 -0.107 0.000 0.842 353 D CB -0.051 40.602 40.800 -0.246 0.000 0.948 353 D HN 0.215 nan 8.370 nan 0.000 0.472 354 A N 0.653 123.365 122.820 -0.179 0.000 1.929 354 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 354 A C 2.278 179.803 177.584 -0.098 0.000 1.176 354 A CA 1.765 53.706 52.037 -0.159 0.000 0.628 354 A CB -0.561 18.364 19.000 -0.125 0.000 0.816 354 A HN 0.216 nan 8.150 nan 0.000 0.444 355 A N -0.054 122.726 122.820 -0.067 0.000 1.930 355 A HA 0.196 4.516 4.320 -0.000 0.000 0.217 355 A C 2.464 180.031 177.584 -0.029 0.000 1.175 355 A CA 1.915 53.924 52.037 -0.046 0.000 0.627 355 A CB -0.913 18.064 19.000 -0.039 0.000 0.815 355 A HN 0.994 nan 8.150 nan 0.000 0.443 356 A N -0.640 122.188 122.820 0.014 0.000 1.930 356 A HA 0.033 4.352 4.320 -0.000 0.000 0.217 356 A C 2.175 179.834 177.584 0.125 0.000 1.175 356 A CA 1.710 53.797 52.037 0.083 0.000 0.627 356 A CB -0.746 18.431 19.000 0.295 0.000 0.815 356 A HN 0.370 nan 8.150 nan 0.000 0.443 357 V N -0.255 119.706 119.914 0.079 0.000 2.548 357 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 357 V C 2.736 178.860 176.094 0.051 0.000 1.055 357 V CA 1.695 64.049 62.300 0.089 0.000 1.065 357 V CB -1.170 30.572 31.823 -0.136 0.000 0.681 357 V HN 0.604 nan 8.190 nan 0.000 0.462 358 G N -0.367 108.426 108.800 -0.013 0.000 2.443 358 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 358 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 358 G C 1.381 176.267 174.900 -0.023 0.000 1.131 358 G CA 0.909 45.995 45.100 -0.023 0.000 0.775 358 G HN 0.598 nan 8.290 nan 0.000 0.547 359 N N -0.665 118.000 118.700 -0.058 0.000 2.270 359 N HA -0.063 4.677 4.740 -0.000 0.000 0.181 359 N C 1.816 177.265 175.510 -0.102 0.000 1.016 359 N CA 0.209 53.194 53.050 -0.109 0.000 0.870 359 N CB -0.053 38.322 38.487 -0.187 0.000 0.979 359 N HN 0.232 nan 8.380 nan 0.000 0.431 360 H N -0.016 119.061 119.070 0.012 0.000 2.470 360 H HA 0.030 4.586 4.556 -0.000 0.000 0.289 360 H C 2.114 177.437 175.328 -0.008 0.000 1.033 360 H CA 0.551 56.602 56.048 0.007 0.000 1.331 360 H CB 0.070 29.848 29.762 0.026 0.000 1.414 360 H HN 0.045 nan 8.280 nan 0.000 0.545 361 V N 1.103 121.076 119.914 0.098 0.000 2.229 361 V HA -0.236 3.884 4.120 -0.000 0.000 0.243 361 V C 2.800 178.910 176.094 0.027 0.000 1.042 361 V CA 1.554 63.878 62.300 0.041 0.000 1.000 361 V CB -1.125 30.703 31.823 0.008 0.000 0.637 361 V HN 0.451 nan 8.190 nan 0.000 0.446 362 A N 0.249 123.075 122.820 0.010 0.000 1.883 362 A HA -0.419 3.901 4.320 -0.000 0.000 0.222 362 A C 2.165 179.754 177.584 0.009 0.000 1.339 362 A CA 3.066 55.104 52.037 0.001 0.000 0.692 362 A CB -0.884 18.108 19.000 -0.013 0.000 0.845 362 A HN 0.604 nan 8.150 nan 0.000 0.467 363 K N -1.194 119.214 120.400 0.015 0.000 2.015 363 K HA -0.217 4.103 4.320 -0.000 0.000 0.220 363 K C 1.867 178.482 176.600 0.024 0.000 1.055 363 K CA 1.723 58.023 56.287 0.021 0.000 0.951 363 K CB -0.579 31.946 32.500 0.041 0.000 0.725 363 K HN 0.312 nan 8.250 nan 0.000 0.449 364 L N 1.189 122.434 121.223 0.035 0.000 2.021 364 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 364 L C 2.226 179.107 176.870 0.019 0.000 1.074 364 L CA 1.623 56.479 54.840 0.027 0.000 0.760 364 L CB -0.757 41.319 42.059 0.029 0.000 0.889 364 L HN 0.243 nan 8.230 nan 0.000 0.433 365 L N -1.447 119.786 121.223 0.017 0.000 2.261 365 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 365 L C 2.516 179.392 176.870 0.010 0.000 1.114 365 L CA 0.990 55.838 54.840 0.013 0.000 0.777 365 L CB -0.314 41.750 42.059 0.008 0.000 0.910 365 L HN 0.476 nan 8.230 nan 0.000 0.440 366 Q N -0.627 119.178 119.800 0.009 0.000 2.061 366 Q HA -0.099 4.241 4.340 -0.000 0.000 0.195 366 Q C 2.073 178.077 176.000 0.007 0.000 0.967 366 Q CA 1.435 57.242 55.803 0.006 0.000 0.829 366 Q CB -0.051 28.689 28.738 0.004 0.000 0.900 366 Q HN 0.511 nan 8.270 nan 0.000 0.450 367 S N -0.247 115.458 115.700 0.008 0.000 2.795 367 S HA -0.056 4.414 4.470 -0.000 0.000 0.236 367 S C 1.121 175.726 174.600 0.008 0.000 0.973 367 S CA 0.557 58.762 58.200 0.007 0.000 0.982 367 S CB -0.004 63.201 63.200 0.008 0.000 0.786 367 S HN 0.222 nan 8.310 nan 0.000 0.538 368 I N -0.962 119.613 120.570 0.009 0.000 4.730 368 I HA 0.387 4.557 4.170 -0.000 0.000 0.332 368 I C 1.639 177.762 176.117 0.009 0.000 1.299 368 I CA 0.641 61.947 61.300 0.010 0.000 1.294 368 I CB 0.739 38.748 38.000 0.015 0.000 1.317 368 I HN 0.424 nan 8.210 nan 0.000 0.457 369 G N 0.163 108.967 108.800 0.008 0.000 2.349 369 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.213 369 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.213 369 G C 0.523 175.427 174.900 0.007 0.000 1.044 369 G CA -0.065 45.039 45.100 0.006 0.000 0.633 369 G HN 0.352 nan 8.290 nan 0.000 0.506 370 Q N 1.260 121.065 119.800 0.009 0.000 2.428 370 Q HA 0.494 4.834 4.340 -0.000 0.000 0.276 370 Q C 0.811 176.814 176.000 0.006 0.000 1.059 370 Q CA 0.224 56.032 55.803 0.009 0.000 0.923 370 Q CB 0.699 29.444 28.738 0.013 0.000 1.283 370 Q HN 0.980 nan 8.270 nan 0.000 0.447 371 A N 3.614 126.437 122.820 0.005 0.000 2.477 371 A HA 0.169 4.489 4.320 -0.000 0.000 0.246 371 A C -1.815 175.770 177.584 0.001 0.000 1.078 371 A CA -1.160 50.878 52.037 0.002 0.000 0.770 371 A CB -0.078 18.923 19.000 0.001 0.000 1.011 371 A HN 0.538 nan 8.150 nan 0.000 0.494 372 P HA 0.012 nan 4.420 nan 0.000 0.274 372 P C 0.270 177.567 177.300 -0.005 0.000 1.370 372 P CA 1.105 64.203 63.100 -0.003 0.000 0.760 372 P CB 0.245 31.942 31.700 -0.005 0.000 1.308 373 E N -1.939 118.259 120.200 -0.004 0.000 2.676 373 E HA 0.122 4.472 4.350 -0.000 0.000 0.222 373 E C 1.282 177.880 176.600 -0.003 0.000 0.968 373 E CA 0.155 56.552 56.400 -0.005 0.000 1.090 373 E CB -0.442 29.255 29.700 -0.005 0.000 1.066 373 E HN -0.137 nan 8.360 nan 0.000 0.496 374 S N -0.143 115.557 115.700 -0.000 0.000 2.469 374 S HA 0.048 4.518 4.470 -0.000 0.000 0.238 374 S C 0.712 175.312 174.600 0.000 0.000 0.998 374 S CA 0.657 58.859 58.200 0.003 0.000 0.957 374 S CB -0.005 63.200 63.200 0.008 0.000 0.764 374 S HN 0.276 nan 8.310 nan 0.000 0.514 375 I N 1.305 121.871 120.570 -0.006 0.000 2.498 375 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 375 I C -0.018 176.089 176.117 -0.016 0.000 1.032 375 I CA -0.584 60.708 61.300 -0.012 0.000 1.073 375 I CB 2.215 40.204 38.000 -0.019 0.000 1.251 375 I HN 0.033 nan 8.210 nan 0.000 0.426 376 S N 2.832 118.521 115.700 -0.019 0.000 2.713 376 S HA 0.320 4.790 4.470 -0.000 0.000 0.283 376 S C 0.827 175.409 174.600 -0.030 0.000 1.161 376 S CA -0.507 57.680 58.200 -0.021 0.000 0.999 376 S CB 2.069 65.258 63.200 -0.018 0.000 1.039 376 S HN 0.707 nan 8.310 nan 0.000 0.548 377 E N 1.314 121.496 120.200 -0.030 0.000 2.070 377 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 377 E C 1.668 178.242 176.600 -0.044 0.000 1.004 377 E CA 2.000 58.378 56.400 -0.037 0.000 0.805 377 E CB -0.379 29.301 29.700 -0.033 0.000 0.744 377 E HN 0.739 nan 8.360 nan 0.000 0.451 378 K N 0.310 120.685 120.400 -0.042 0.000 2.001 378 K HA -0.228 4.092 4.320 -0.000 0.000 0.214 378 K C 2.292 178.857 176.600 -0.058 0.000 1.050 378 K CA 1.982 58.238 56.287 -0.053 0.000 0.934 378 K CB -0.350 32.120 32.500 -0.050 0.000 0.718 378 K HN 0.246 nan 8.250 nan 0.000 0.443 379 E N 0.762 120.935 120.200 -0.046 0.000 2.118 379 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 379 E C 2.060 178.625 176.600 -0.057 0.000 0.992 379 E CA 0.996 57.370 56.400 -0.045 0.000 0.804 379 E CB -0.142 29.539 29.700 -0.032 0.000 0.741 379 E HN 0.131 nan 8.360 nan 0.000 0.458 380 L N 1.339 122.526 121.223 -0.059 0.000 2.072 380 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 380 L C 1.887 178.707 176.870 -0.082 0.000 1.079 380 L CA 1.709 56.506 54.840 -0.072 0.000 0.752 380 L CB -0.146 41.874 42.059 -0.065 0.000 0.906 380 L HN -0.145 nan 8.230 nan 0.000 0.436 381 K N -0.371 119.985 120.400 -0.074 0.000 2.009 381 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 381 K C 2.121 178.675 176.600 -0.076 0.000 1.049 381 K CA 1.753 57.995 56.287 -0.076 0.000 0.929 381 K CB -1.165 31.296 32.500 -0.066 0.000 0.714 381 K HN 0.266 nan 8.250 nan 0.000 0.440 382 L N 1.461 122.641 121.223 -0.073 0.000 1.971 382 L HA -0.214 4.126 4.340 -0.000 0.000 0.215 382 L C 2.396 179.228 176.870 -0.063 0.000 1.072 382 L CA 1.471 56.271 54.840 -0.067 0.000 0.758 382 L CB -0.938 41.080 42.059 -0.069 0.000 0.889 382 L HN 0.176 nan 8.230 nan 0.000 0.433 383 L N -0.678 120.501 121.223 -0.073 0.000 2.021 383 L HA -0.308 4.032 4.340 -0.000 0.000 0.215 383 L C 2.482 179.287 176.870 -0.109 0.000 1.074 383 L CA 2.390 57.178 54.840 -0.088 0.000 0.760 383 L CB -1.091 40.901 42.059 -0.113 0.000 0.889 383 L HN 0.473 nan 8.230 nan 0.000 0.433 384 C N -0.414 118.811 119.300 -0.126 0.000 2.446 384 C HA -0.086 4.373 4.460 -0.000 0.000 0.277 384 C C 2.981 177.892 174.990 -0.133 0.000 1.275 384 C CA 1.022 59.943 59.018 -0.162 0.000 1.727 384 C CB -1.384 26.242 27.740 -0.189 0.000 2.010 384 C HN 0.814 nan 8.230 nan 0.000 0.486 385 S N 0.540 116.189 115.700 -0.085 0.000 2.555 385 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 385 S C 0.944 175.549 174.600 0.008 0.000 0.978 385 S CA 0.903 59.081 58.200 -0.037 0.000 0.934 385 S CB -0.442 62.751 63.200 -0.013 0.000 0.766 385 S HN 0.689 nan 8.310 nan 0.000 0.533 386 N N 0.919 119.601 118.700 -0.030 0.000 2.197 386 N HA 0.132 4.872 4.740 -0.000 0.000 0.228 386 N C 1.120 176.533 175.510 -0.162 0.000 1.212 386 N CA 0.758 53.824 53.050 0.026 0.000 0.883 386 N CB 0.797 39.335 38.487 0.084 0.000 1.107 386 N HN 0.564 nan 8.380 nan 0.000 0.519 387 S N 0.603 116.179 115.700 -0.206 0.000 2.413 387 S HA -0.184 4.286 4.470 -0.000 0.000 0.237 387 S C 1.676 176.098 174.600 -0.296 0.000 1.044 387 S CA 1.307 59.380 58.200 -0.212 0.000 1.024 387 S CB -0.151 62.938 63.200 -0.184 0.000 0.829 387 S HN 0.284 nan 8.310 nan 0.000 0.475 388 A N -0.493 122.006 122.820 -0.535 0.000 2.423 388 A HA 0.628 4.948 4.320 -0.000 0.000 0.246 388 A C 0.648 177.841 177.584 -0.652 0.000 1.278 388 A CA -0.488 51.181 52.037 -0.614 0.000 0.903 388 A CB -0.329 18.277 19.000 -0.656 0.000 0.997 388 A HN 0.572 nan 8.150 nan 0.000 0.510 389 F N -0.646 119.269 119.950 -0.058 0.000 2.815 389 F HA 0.354 4.881 4.527 -0.000 0.000 0.323 389 F C 0.241 176.009 175.800 -0.054 0.000 1.151 389 F CA -0.617 57.352 58.000 -0.052 0.000 1.191 389 F CB 0.257 39.221 39.000 -0.059 0.000 1.069 389 F HN -0.045 nan 8.300 nan 0.000 0.514 390 L N 2.209 123.458 121.223 0.044 0.000 2.467 390 L HA 0.319 4.658 4.340 -0.000 0.000 0.270 390 L C 0.167 177.053 176.870 0.027 0.000 1.205 390 L CA 0.070 54.941 54.840 0.052 0.000 0.828 390 L CB 0.369 42.458 42.059 0.049 0.000 1.101 390 L HN 0.116 nan 8.230 nan 0.000 0.479 391 R N 1.779 122.266 120.500 -0.022 0.000 2.535 391 R HA 0.490 4.830 4.340 -0.000 0.000 0.274 391 R C -1.675 174.517 176.300 -0.181 0.000 1.090 391 R CA -0.625 55.442 56.100 -0.054 0.000 0.930 391 R CB 1.957 32.251 30.300 -0.011 0.000 1.223 391 R HN 0.266 nan 8.270 nan 0.000 0.441 392 V N 3.321 123.157 119.914 -0.130 0.000 2.407 392 V HA 0.439 4.559 4.120 -0.000 0.000 0.291 392 V C -0.098 175.982 176.094 -0.023 0.000 1.018 392 V CA -0.831 61.368 62.300 -0.167 0.000 0.842 392 V CB 2.118 33.900 31.823 -0.068 0.000 0.996 392 V HN 0.397 nan 8.190 nan 0.000 0.426 393 V N 5.965 125.876 119.914 -0.006 0.000 2.483 393 V HA 0.608 4.728 4.120 -0.000 0.000 0.295 393 V C -0.006 176.116 176.094 0.046 0.000 1.035 393 V CA -0.710 61.608 62.300 0.030 0.000 0.896 393 V CB 1.901 33.741 31.823 0.029 0.000 0.986 393 V HN 0.832 nan 8.190 nan 0.000 0.447 394 R N 2.870 123.395 120.500 0.042 0.000 2.575 394 R HA 0.450 4.790 4.340 -0.000 0.000 0.292 394 R C -0.948 175.382 176.300 0.050 0.000 1.246 394 R CA -0.446 55.688 56.100 0.057 0.000 0.973 394 R CB 1.428 31.779 30.300 0.086 0.000 1.187 394 R HN 0.904 nan 8.270 nan 0.000 0.478 395 C N 1.210 120.532 119.300 0.036 0.000 2.401 395 C HA 0.535 4.995 4.460 -0.000 0.000 0.365 395 C C 0.871 175.948 174.990 0.143 0.000 1.250 395 C CA -1.403 57.638 59.018 0.038 0.000 2.131 395 C CB 0.413 28.125 27.740 -0.046 0.000 2.445 395 C HN 0.730 nan 8.230 nan 0.000 0.550 396 R N 1.893 122.467 120.500 0.124 0.000 2.827 396 R HA 0.393 4.733 4.340 -0.000 0.000 0.269 396 R C 0.896 177.291 176.300 0.159 0.000 1.048 396 R CA 0.175 56.361 56.100 0.144 0.000 1.173 396 R CB 0.232 30.576 30.300 0.073 0.000 1.070 396 R HN 0.964 nan 8.270 nan 0.000 0.498 397 S N 0.630 116.317 115.700 -0.023 0.000 2.608 397 S HA 0.011 4.481 4.470 -0.000 0.000 0.261 397 S C 0.952 175.505 174.600 -0.078 0.000 1.314 397 S CA -0.698 57.333 58.200 -0.281 0.000 0.992 397 S CB 0.669 63.132 63.200 -1.228 0.000 0.935 397 S HN 0.583 nan 8.310 nan 0.000 0.564 398 L N 1.101 122.303 121.223 -0.036 0.000 2.240 398 L HA 0.238 4.578 4.340 -0.000 0.000 0.211 398 L C 2.468 179.388 176.870 0.083 0.000 1.106 398 L CA 1.940 56.833 54.840 0.088 0.000 0.793 398 L CB -1.460 40.647 42.059 0.080 0.000 0.927 398 L HN 0.920 nan 8.230 nan 0.000 0.446 399 A N -0.684 122.087 122.820 -0.083 0.000 1.969 399 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 399 A C 2.102 179.692 177.584 0.011 0.000 1.169 399 A CA 1.603 53.603 52.037 -0.061 0.000 0.635 399 A CB -0.460 18.425 19.000 -0.191 0.000 0.810 399 A HN 0.607 nan 8.150 nan 0.000 0.445 400 E N -0.646 119.531 120.200 -0.037 0.000 2.216 400 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 400 E C 1.880 178.527 176.600 0.078 0.000 0.988 400 E CA 0.819 57.224 56.400 0.008 0.000 0.834 400 E CB -0.045 29.636 29.700 -0.032 0.000 0.772 400 E HN 0.801 nan 8.360 nan 0.000 0.479 401 E N 0.120 120.399 120.200 0.132 0.000 2.107 401 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 401 E C 1.015 177.652 176.600 0.061 0.000 0.982 401 E CA 0.827 57.292 56.400 0.109 0.000 0.809 401 E CB 0.131 29.932 29.700 0.168 0.000 0.756 401 E HN 0.295 nan 8.360 nan 0.000 0.459 402 Y N -0.157 120.210 120.300 0.112 0.000 2.511 402 Y HA 0.232 4.782 4.550 -0.000 0.000 0.279 402 Y C 1.126 177.169 175.900 0.238 0.000 1.157 402 Y CA 0.376 58.586 58.100 0.183 0.000 1.300 402 Y CB 0.299 38.857 38.460 0.164 0.000 1.052 402 Y HN -0.041 nan 8.280 nan 0.000 0.529 403 G N 0.779 109.736 108.800 0.262 0.000 2.298 403 G HA2 0.092 4.052 3.960 -0.000 0.000 0.263 403 G HA3 0.092 4.052 3.960 -0.000 0.000 0.263 403 G C 0.999 176.019 174.900 0.199 0.000 1.229 403 G CA -0.264 44.944 45.100 0.179 0.000 0.976 403 G HN 0.409 nan 8.290 nan 0.000 0.459 404 L N 1.876 123.181 121.223 0.137 0.000 2.085 404 L HA -0.230 4.110 4.340 -0.000 0.000 0.218 404 L C 2.004 178.909 176.870 0.057 0.000 1.080 404 L CA 1.645 56.493 54.840 0.014 0.000 0.776 404 L CB -0.149 41.831 42.059 -0.132 0.000 0.891 404 L HN 0.402 nan 8.230 nan 0.000 0.437 405 D N -1.864 118.564 120.400 0.046 0.000 2.323 405 D HA -0.063 4.576 4.640 -0.000 0.000 0.218 405 D C 2.037 178.366 176.300 0.048 0.000 0.973 405 D CA 1.361 55.383 54.000 0.036 0.000 0.890 405 D CB -0.173 40.637 40.800 0.016 0.000 1.011 405 D HN 0.300 nan 8.370 nan 0.000 0.499 406 T N -0.794 113.794 114.554 0.056 0.000 3.361 406 T HA 0.053 4.402 4.350 -0.000 0.000 0.251 406 T C 0.753 175.486 174.700 0.054 0.000 1.131 406 T CA -0.270 61.859 62.100 0.048 0.000 1.001 406 T CB -0.285 68.606 68.868 0.039 0.000 1.003 406 T HN -0.082 nan 8.240 nan 0.000 0.558 407 I N 3.065 123.676 120.570 0.069 0.000 2.371 407 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 407 I C 0.098 176.221 176.117 0.010 0.000 1.028 407 I CA -0.885 60.436 61.300 0.035 0.000 1.345 407 I CB 0.856 38.884 38.000 0.046 0.000 1.407 407 I HN 0.206 nan 8.210 nan 0.000 0.501 408 N N 7.790 126.485 118.700 -0.007 0.000 2.605 408 N HA 0.015 4.755 4.740 -0.000 0.000 0.282 408 N C 0.898 176.397 175.510 -0.019 0.000 1.206 408 N CA 0.163 53.211 53.050 -0.004 0.000 1.074 408 N CB 0.335 38.824 38.487 0.002 0.000 1.434 408 N HN 0.571 nan 8.380 nan 0.000 0.506 409 K N 1.111 121.502 120.400 -0.015 0.000 2.063 409 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 409 K C 0.794 177.383 176.600 -0.017 0.000 1.048 409 K CA 1.190 57.461 56.287 -0.025 0.000 0.928 409 K CB 0.193 32.684 32.500 -0.014 0.000 0.713 409 K HN 0.371 nan 8.250 nan 0.000 0.442 410 D N 0.984 121.383 120.400 -0.001 0.000 2.108 410 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 410 D C 1.840 178.149 176.300 0.015 0.000 0.995 410 D CA 1.390 55.395 54.000 0.009 0.000 0.834 410 D CB -0.357 40.454 40.800 0.018 0.000 0.967 410 D HN 0.149 nan 8.370 nan 0.000 0.446 411 E N 0.465 120.679 120.200 0.024 0.000 2.108 411 E HA -0.191 4.159 4.350 -0.000 0.000 0.203 411 E C 2.116 178.722 176.600 0.010 0.000 1.022 411 E CA 1.189 57.619 56.400 0.049 0.000 0.823 411 E CB -0.429 29.309 29.700 0.063 0.000 0.744 411 E HN 0.391 nan 8.360 nan 0.000 0.456 412 I N -0.324 120.222 120.570 -0.040 0.000 2.439 412 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 412 I C 2.072 178.161 176.117 -0.048 0.000 1.139 412 I CA 0.733 61.987 61.300 -0.077 0.000 1.438 412 I CB -0.191 37.768 38.000 -0.068 0.000 1.085 412 I HN 0.144 nan 8.210 nan 0.000 0.427 413 I N 0.274 120.830 120.570 -0.024 0.000 2.339 413 I HA -0.176 3.993 4.170 -0.000 0.000 0.245 413 I C 2.688 178.806 176.117 0.003 0.000 1.096 413 I CA 1.180 62.472 61.300 -0.014 0.000 1.408 413 I CB -0.338 37.656 38.000 -0.010 0.000 1.092 413 I HN 0.173 nan 8.210 nan 0.000 0.423 414 S N -0.071 115.638 115.700 0.016 0.000 2.402 414 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 414 S C 2.059 176.687 174.600 0.046 0.000 1.021 414 S CA 1.272 59.490 58.200 0.031 0.000 0.974 414 S CB -0.527 62.696 63.200 0.039 0.000 0.800 414 S HN 0.288 nan 8.310 nan 0.000 0.484 415 S N 1.586 117.320 115.700 0.057 0.000 2.402 415 S HA 0.173 4.643 4.470 -0.000 0.000 0.229 415 S C 1.641 176.269 174.600 0.047 0.000 1.021 415 S CA 0.906 59.163 58.200 0.095 0.000 0.974 415 S CB -0.352 62.926 63.200 0.129 0.000 0.800 415 S HN 0.342 nan 8.310 nan 0.000 0.484 416 M N 1.787 121.391 119.600 0.007 0.000 2.686 416 M HA 0.014 4.494 4.480 -0.000 0.000 0.246 416 M C 0.514 176.822 176.300 0.014 0.000 1.096 416 M CA 0.396 55.695 55.300 -0.003 0.000 1.076 416 M CB -1.262 31.326 32.600 -0.020 0.000 1.504 416 M HN 0.123 nan 8.290 nan 0.000 0.524 417 D N 0.358 120.773 120.400 0.025 0.000 2.263 417 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 417 D C 0.794 177.112 176.300 0.030 0.000 0.971 417 D CA 0.713 54.728 54.000 0.026 0.000 0.867 417 D CB -0.201 40.617 40.800 0.029 0.000 0.929 417 D HN 0.477 nan 8.370 nan 0.000 0.492 418 N N 0.052 118.774 118.700 0.037 0.000 2.425 418 N HA 0.123 4.863 4.740 -0.000 0.000 0.268 418 N C -2.092 173.445 175.510 0.044 0.000 0.991 418 N CA -1.701 51.374 53.050 0.043 0.000 0.931 418 N CB 2.220 40.737 38.487 0.051 0.000 1.130 418 N HN -0.318 nan 8.380 nan 0.000 0.493 419 P HA -0.068 nan 4.420 nan 0.000 0.222 419 P C -0.465 176.910 177.300 0.125 0.000 1.147 419 P CA 1.063 64.211 63.100 0.079 0.000 0.790 419 P CB 0.266 32.014 31.700 0.081 0.000 0.780 420 D N -2.215 118.253 120.400 0.113 0.000 2.462 420 D HA 0.031 4.670 4.640 -0.000 0.000 0.221 420 D C 0.260 176.599 176.300 0.065 0.000 1.173 420 D CA -0.097 53.989 54.000 0.143 0.000 0.831 420 D CB -0.421 40.476 40.800 0.162 0.000 1.001 420 D HN 0.145 nan 8.370 nan 0.000 0.499 421 N N 2.314 121.037 118.700 0.039 0.000 2.492 421 N HA -0.079 4.661 4.740 -0.000 0.000 0.262 421 N C 1.249 176.772 175.510 0.022 0.000 1.202 421 N CA 0.212 53.298 53.050 0.060 0.000 0.926 421 N CB 1.091 39.623 38.487 0.075 0.000 1.078 421 N HN 0.021 nan 8.380 nan 0.000 0.454 422 E N 3.211 123.466 120.200 0.092 0.000 2.455 422 E HA -0.207 4.143 4.350 -0.000 0.000 0.202 422 E C 1.516 178.115 176.600 -0.003 0.000 1.045 422 E CA 0.433 56.873 56.400 0.068 0.000 0.872 422 E CB -0.270 29.511 29.700 0.136 0.000 0.792 422 E HN 0.620 nan 8.360 nan 0.000 0.542 423 I N 1.007 121.486 120.570 -0.153 0.000 2.493 423 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 423 I C 2.081 178.082 176.117 -0.193 0.000 1.160 423 I CA 0.524 61.557 61.300 -0.445 0.000 1.445 423 I CB -0.004 37.584 38.000 -0.687 0.000 1.086 423 I HN -0.145 nan 8.210 nan 0.000 0.433 424 V N 0.654 120.437 119.914 -0.219 0.000 2.332 424 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 424 V C 2.481 178.354 176.094 -0.367 0.000 1.055 424 V CA 2.154 64.254 62.300 -0.333 0.000 1.038 424 V CB -0.701 30.781 31.823 -0.569 0.000 0.651 424 V HN 0.415 nan 8.190 nan 0.000 0.450 425 L N -1.409 119.659 121.223 -0.258 0.000 2.191 425 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 425 L C 2.415 179.283 176.870 -0.003 0.000 1.103 425 L CA 1.751 56.549 54.840 -0.070 0.000 0.769 425 L CB -0.692 41.420 42.059 0.088 0.000 0.908 425 L HN 0.450 nan 8.230 nan 0.000 0.438 426 Y N 0.901 121.113 120.300 -0.147 0.000 2.130 426 Y HA -0.198 4.352 4.550 -0.000 0.000 0.287 426 Y C 2.302 178.060 175.900 -0.237 0.000 1.124 426 Y CA 1.344 59.358 58.100 -0.142 0.000 1.118 426 Y CB -0.408 37.961 38.460 -0.153 0.000 0.994 426 Y HN -0.069 nan 8.280 nan 0.000 0.497 427 L N -0.608 120.386 121.223 -0.382 0.000 1.978 427 L HA -0.356 3.984 4.340 -0.000 0.000 0.218 427 L C 2.592 179.110 176.870 -0.586 0.000 1.075 427 L CA 1.796 56.382 54.840 -0.424 0.000 0.767 427 L CB -0.881 41.100 42.059 -0.130 0.000 0.890 427 L HN 0.265 nan 8.230 nan 0.000 0.434 428 M N -0.469 118.819 119.600 -0.520 0.000 2.088 428 M HA -0.282 4.198 4.480 -0.000 0.000 0.256 428 M C 2.465 178.425 176.300 -0.567 0.000 1.071 428 M CA 1.913 56.806 55.300 -0.678 0.000 1.097 428 M CB -1.309 30.546 32.600 -1.242 0.000 1.315 428 M HN 0.264 nan 8.290 nan 0.000 0.406 429 L N -0.618 120.359 121.223 -0.410 0.000 2.089 429 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 429 L C 2.813 179.370 176.870 -0.522 0.000 1.079 429 L CA 1.313 55.949 54.840 -0.340 0.000 0.758 429 L CB -0.401 41.464 42.059 -0.323 0.000 0.891 429 L HN 0.335 nan 8.230 nan 0.000 0.433 430 R N -0.583 119.441 120.500 -0.792 0.000 2.062 430 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 430 R C 2.287 178.180 176.300 -0.679 0.000 1.128 430 R CA 1.319 56.885 56.100 -0.891 0.000 0.960 430 R CB -0.899 28.369 30.300 -1.720 0.000 0.855 430 R HN 0.342 nan 8.270 nan 0.000 0.432 431 A N 1.117 123.509 122.820 -0.712 0.000 1.892 431 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 431 A C 2.454 179.956 177.584 -0.137 0.000 1.188 431 A CA 1.994 53.823 52.037 -0.346 0.000 0.631 431 A CB -0.821 18.018 19.000 -0.269 0.000 0.822 431 A HN 0.119 nan 8.150 nan 0.000 0.447 432 V N 0.394 120.204 119.914 -0.172 0.000 2.568 432 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 432 V C 1.930 178.079 176.094 0.092 0.000 1.072 432 V CA 2.256 64.521 62.300 -0.058 0.000 1.084 432 V CB -0.717 30.968 31.823 -0.231 0.000 0.676 432 V HN 0.493 nan 8.190 nan 0.000 0.469 433 D N -0.737 119.654 120.400 -0.014 0.000 2.249 433 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 433 D C 2.301 178.672 176.300 0.118 0.000 0.962 433 D CA 0.582 54.628 54.000 0.076 0.000 0.860 433 D CB -0.060 40.723 40.800 -0.028 0.000 0.955 433 D HN 0.321 nan 8.370 nan 0.000 0.505 434 R N -0.514 120.030 120.500 0.073 0.000 2.062 434 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 434 R C 2.157 178.536 176.300 0.131 0.000 1.128 434 R CA 0.595 56.751 56.100 0.094 0.000 0.960 434 R CB -0.367 29.977 30.300 0.073 0.000 0.855 434 R HN 0.111 nan 8.270 nan 0.000 0.432 435 F N 1.280 121.237 119.950 0.012 0.000 1.993 435 F HA -0.366 4.161 4.527 -0.000 0.000 0.297 435 F C 2.639 178.430 175.800 -0.016 0.000 1.177 435 F CA 2.317 60.325 58.000 0.013 0.000 1.182 435 F CB -0.808 38.221 39.000 0.048 0.000 0.958 435 F HN 0.179 nan 8.300 nan 0.000 0.496 436 H N 0.612 119.898 119.070 0.359 0.000 2.407 436 H HA -0.287 4.269 4.556 -0.000 0.000 0.293 436 H C 2.161 177.421 175.328 -0.113 0.000 1.122 436 H CA 2.321 58.340 56.048 -0.047 0.000 1.232 436 H CB -0.369 29.057 29.762 -0.561 0.000 1.361 436 H HN 0.282 nan 8.280 nan 0.000 0.498 437 K N 0.770 121.208 120.400 0.063 0.000 2.001 437 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 437 K C 2.624 179.154 176.600 -0.116 0.000 1.048 437 K CA 1.930 58.218 56.287 0.002 0.000 0.932 437 K CB -0.544 31.997 32.500 0.069 0.000 0.715 437 K HN 0.467 nan 8.250 nan 0.000 0.437 438 Q N -0.190 119.539 119.800 -0.118 0.000 1.993 438 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 438 Q C 1.888 177.722 176.000 -0.277 0.000 0.984 438 Q CA 1.698 57.396 55.803 -0.175 0.000 0.837 438 Q CB -0.046 28.591 28.738 -0.169 0.000 0.902 438 Q HN 0.403 nan 8.270 nan 0.000 0.423 439 Q N -1.260 118.267 119.800 -0.454 0.000 2.432 439 Q HA 0.056 4.396 4.340 -0.000 0.000 0.205 439 Q C 1.011 176.816 176.000 -0.324 0.000 0.945 439 Q CA 0.858 56.371 55.803 -0.484 0.000 0.924 439 Q CB 0.876 29.047 28.738 -0.946 0.000 1.016 439 Q HN 0.722 nan 8.270 nan 0.000 0.503 440 G N 2.286 110.867 108.800 -0.366 0.000 2.179 440 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 440 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 440 G C 0.261 174.932 174.900 -0.382 0.000 0.977 440 G CA 0.727 45.600 45.100 -0.378 0.000 0.641 440 G HN 0.456 nan 8.290 nan 0.000 0.533 441 R N -2.109 118.224 120.500 -0.278 0.000 2.844 441 R HA 0.709 5.049 4.340 -0.000 0.000 0.264 441 R C -1.014 175.376 176.300 0.150 0.000 1.077 441 R CA -1.224 54.847 56.100 -0.047 0.000 0.953 441 R CB 0.726 31.084 30.300 0.097 0.000 1.272 441 R HN 0.143 nan 8.270 nan 0.000 0.447 442 Y N -0.063 120.457 120.300 0.368 0.000 2.419 442 Y HA 0.387 4.937 4.550 -0.000 0.000 0.328 442 Y C -1.894 173.978 175.900 -0.048 0.000 1.162 442 Y CA -2.533 55.711 58.100 0.240 0.000 1.174 442 Y CB 1.778 40.377 38.460 0.233 0.000 1.228 442 Y HN 0.394 nan 8.280 nan 0.000 0.473 443 P HA -0.009 nan 4.420 nan 0.000 0.254 443 P C 0.084 177.283 177.300 -0.167 0.000 1.186 443 P CA 1.173 63.903 63.100 -0.616 0.000 0.868 443 P CB -0.168 31.156 31.700 -0.625 0.000 0.856 444 G N 2.682 111.420 108.800 -0.104 0.000 2.351 444 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.297 444 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.297 444 G C 0.810 175.654 174.900 -0.094 0.000 1.054 444 G CA -0.037 45.005 45.100 -0.098 0.000 1.123 444 G HN 0.355 nan 8.290 nan 0.000 0.512 445 V N -0.231 119.646 119.914 -0.063 0.000 2.407 445 V HA 0.020 4.140 4.120 -0.000 0.000 0.245 445 V C 1.857 177.886 176.094 -0.109 0.000 1.041 445 V CA 2.050 64.320 62.300 -0.050 0.000 1.040 445 V CB -0.143 31.691 31.823 0.019 0.000 0.671 445 V HN 0.576 nan 8.190 nan 0.000 0.455 446 S N 0.912 116.485 115.700 -0.212 0.000 2.554 446 S HA 0.259 4.729 4.470 -0.000 0.000 0.278 446 S C 0.971 175.341 174.600 -0.384 0.000 1.242 446 S CA -0.556 57.465 58.200 -0.298 0.000 1.051 446 S CB 1.062 64.007 63.200 -0.425 0.000 0.986 446 S HN 0.417 nan 8.310 nan 0.000 0.502 447 N N 1.367 119.949 118.700 -0.197 0.000 2.430 447 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 447 N C 1.287 176.757 175.510 -0.067 0.000 1.032 447 N CA 1.265 54.253 53.050 -0.103 0.000 0.893 447 N CB -0.346 38.139 38.487 -0.004 0.000 0.957 447 N HN 0.843 nan 8.380 nan 0.000 0.442 448 Y N -0.190 120.117 120.300 0.011 0.000 2.476 448 Y HA 0.259 4.808 4.550 -0.000 0.000 0.283 448 Y C 2.073 177.983 175.900 0.016 0.000 1.109 448 Y CA 0.010 58.117 58.100 0.012 0.000 1.246 448 Y CB -0.699 37.770 38.460 0.014 0.000 1.068 448 Y HN -0.111 nan 8.280 nan 0.000 0.552 449 Q N 1.085 120.644 119.800 -0.401 0.000 2.124 449 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 449 Q C 2.290 178.267 176.000 -0.038 0.000 0.977 449 Q CA 2.007 57.728 55.803 -0.136 0.000 0.850 449 Q CB -0.368 28.215 28.738 -0.257 0.000 0.901 449 Q HN 0.432 nan 8.270 nan 0.000 0.429 450 V N 1.293 121.154 119.914 -0.088 0.000 2.230 450 V HA -0.400 3.720 4.120 -0.000 0.000 0.256 450 V C 2.136 178.197 176.094 -0.055 0.000 1.064 450 V CA 2.411 64.664 62.300 -0.078 0.000 1.050 450 V CB -0.796 30.977 31.823 -0.082 0.000 0.666 450 V HN 0.401 nan 8.190 nan 0.000 0.457 451 E N -0.173 120.014 120.200 -0.021 0.000 2.086 451 E HA -0.300 4.050 4.350 -0.000 0.000 0.205 451 E C 2.263 178.872 176.600 0.014 0.000 1.027 451 E CA 2.336 58.734 56.400 -0.005 0.000 0.830 451 E CB -0.367 29.354 29.700 0.035 0.000 0.751 451 E HN 0.709 nan 8.360 nan 0.000 0.456 452 E N -0.563 119.667 120.200 0.050 0.000 2.072 452 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 452 E C 1.408 178.058 176.600 0.083 0.000 0.985 452 E CA 1.439 57.882 56.400 0.071 0.000 0.801 452 E CB -0.050 29.712 29.700 0.103 0.000 0.750 452 E HN 0.270 nan 8.360 nan 0.000 0.452 453 D N 0.459 120.914 120.400 0.091 0.000 2.178 453 D HA -0.118 4.521 4.640 -0.000 0.000 0.202 453 D C 1.778 178.127 176.300 0.081 0.000 0.974 453 D CA 0.683 54.772 54.000 0.149 0.000 0.841 453 D CB -0.136 40.727 40.800 0.105 0.000 0.953 453 D HN 0.295 nan 8.370 nan 0.000 0.478 454 I N 0.487 121.050 120.570 -0.011 0.000 2.623 454 I HA -0.203 3.967 4.170 -0.000 0.000 0.261 454 I C 2.195 178.326 176.117 0.023 0.000 1.204 454 I CA 1.160 62.425 61.300 -0.059 0.000 1.444 454 I CB -0.300 37.590 38.000 -0.183 0.000 1.094 454 I HN 0.070 nan 8.210 nan 0.000 0.451 455 G N 0.684 109.519 108.800 0.058 0.000 2.497 455 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.210 455 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.210 455 G C 1.600 176.559 174.900 0.099 0.000 1.177 455 G CA -0.078 45.065 45.100 0.071 0.000 0.822 455 G HN 0.247 nan 8.290 nan 0.000 0.550 456 K N -0.318 120.170 120.400 0.146 0.000 2.360 456 K HA 0.040 4.360 4.320 -0.000 0.000 0.201 456 K C 2.125 178.896 176.600 0.286 0.000 1.046 456 K CA 0.402 56.804 56.287 0.191 0.000 0.940 456 K CB -0.061 32.582 32.500 0.237 0.000 0.748 456 K HN 0.230 nan 8.250 nan 0.000 0.465 457 L N 1.090 122.454 121.223 0.235 0.000 2.071 457 L HA -0.042 4.298 4.340 -0.000 0.000 0.201 457 L C 2.074 178.999 176.870 0.091 0.000 1.076 457 L CA 1.614 56.553 54.840 0.166 0.000 0.755 457 L CB -0.337 41.743 42.059 0.035 0.000 0.915 457 L HN -0.126 nan 8.230 nan 0.000 0.445 458 K N 0.005 120.445 120.400 0.066 0.000 2.173 458 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 458 K C 2.194 178.827 176.600 0.055 0.000 1.046 458 K CA 1.767 58.084 56.287 0.049 0.000 0.929 458 K CB -0.423 32.110 32.500 0.054 0.000 0.720 458 K HN 0.659 nan 8.250 nan 0.000 0.453 459 S N -0.374 115.367 115.700 0.069 0.000 2.345 459 S HA -0.148 4.322 4.470 -0.000 0.000 0.220 459 S C 2.554 177.196 174.600 0.070 0.000 1.031 459 S CA 1.362 59.598 58.200 0.061 0.000 0.996 459 S CB -0.934 62.300 63.200 0.056 0.000 0.882 459 S HN 0.357 nan 8.310 nan 0.000 0.445 460 C N 1.427 120.782 119.300 0.091 0.000 2.413 460 C HA 0.054 4.514 4.460 -0.000 0.000 0.276 460 C C 2.636 177.684 174.990 0.096 0.000 1.236 460 C CA 0.862 59.938 59.018 0.097 0.000 1.735 460 C CB -1.658 26.157 27.740 0.126 0.000 2.031 460 C HN 0.670 nan 8.230 nan 0.000 0.474 461 L N 1.107 122.364 121.223 0.057 0.000 2.129 461 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 461 L C 2.310 179.246 176.870 0.109 0.000 1.087 461 L CA 2.208 57.079 54.840 0.052 0.000 0.757 461 L CB -1.011 41.041 42.059 -0.011 0.000 0.896 461 L HN 0.340 nan 8.230 nan 0.000 0.434 462 T N -1.220 113.383 114.554 0.082 0.000 2.942 462 T HA 0.031 4.381 4.350 -0.000 0.000 0.265 462 T C 1.678 176.426 174.700 0.080 0.000 1.062 462 T CA 0.858 62.998 62.100 0.068 0.000 1.139 462 T CB -0.568 68.327 68.868 0.045 0.000 0.883 462 T HN 0.539 nan 8.240 nan 0.000 0.468 463 G N 0.745 109.607 108.800 0.102 0.000 2.403 463 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 463 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 463 G C 1.272 176.268 174.900 0.160 0.000 1.154 463 G CA 0.168 45.329 45.100 0.102 0.000 0.784 463 G HN 0.402 nan 8.290 nan 0.000 0.538 464 F N 1.717 121.695 119.950 0.047 0.000 2.010 464 F HA -0.041 4.486 4.527 -0.000 0.000 0.296 464 F C 2.576 178.456 175.800 0.133 0.000 1.146 464 F CA 1.340 59.395 58.000 0.093 0.000 1.181 464 F CB -0.718 38.280 39.000 -0.004 0.000 0.965 464 F HN 0.024 nan 8.300 nan 0.000 0.480 465 L N -0.021 121.207 121.223 0.009 0.000 2.103 465 L HA -0.330 4.010 4.340 -0.000 0.000 0.215 465 L C 2.387 179.211 176.870 -0.078 0.000 1.080 465 L CA 1.968 56.742 54.840 -0.111 0.000 0.764 465 L CB -1.054 41.002 42.059 -0.005 0.000 0.890 465 L HN 0.409 nan 8.230 nan 0.000 0.435 466 Q N -0.576 119.208 119.800 -0.027 0.000 2.212 466 Q HA -0.160 4.180 4.340 -0.000 0.000 0.199 466 Q C 1.939 177.896 176.000 -0.071 0.000 0.950 466 Q CA 0.689 56.471 55.803 -0.035 0.000 0.863 466 Q CB -0.045 28.685 28.738 -0.014 0.000 0.944 466 Q HN 0.497 nan 8.270 nan 0.000 0.465 467 E N -0.077 120.073 120.200 -0.083 0.000 2.472 467 E HA -0.157 4.193 4.350 -0.000 0.000 0.200 467 E C 0.163 176.468 176.600 -0.491 0.000 1.046 467 E CA 0.745 57.006 56.400 -0.233 0.000 0.871 467 E CB 0.301 29.875 29.700 -0.211 0.000 0.806 467 E HN 0.416 nan 8.360 nan 0.000 0.533 468 Y N -1.599 118.569 120.300 -0.220 0.000 2.563 468 Y HA 0.298 4.848 4.550 -0.000 0.000 0.250 468 Y C 0.922 176.722 175.900 -0.167 0.000 1.126 468 Y CA 0.081 58.050 58.100 -0.219 0.000 1.231 468 Y CB 1.482 39.730 38.460 -0.353 0.000 1.288 468 Y HN 0.061 nan 8.280 nan 0.000 0.537 469 G N 1.523 110.304 108.800 -0.033 0.000 2.314 469 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 469 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 469 G C -0.695 174.186 174.900 -0.031 0.000 1.059 469 G CA -0.155 44.925 45.100 -0.032 0.000 0.982 469 G HN 0.123 nan 8.290 nan 0.000 0.505 470 L N 1.248 122.438 121.223 -0.054 0.000 2.315 470 L HA 0.501 4.840 4.340 -0.000 0.000 0.278 470 L C 1.158 178.000 176.870 -0.046 0.000 1.088 470 L CA -0.139 54.660 54.840 -0.068 0.000 0.899 470 L CB 1.300 43.278 42.059 -0.136 0.000 1.277 470 L HN 0.243 nan 8.230 nan 0.000 0.431 471 S N 3.013 118.695 115.700 -0.030 0.000 4.120 471 S HA 0.339 4.809 4.470 -0.000 0.000 0.215 471 S C -0.070 174.520 174.600 -0.017 0.000 1.347 471 S CA -0.449 57.739 58.200 -0.020 0.000 0.889 471 S CB -0.706 62.486 63.200 -0.014 0.000 1.585 471 S HN 0.388 nan 8.310 nan 0.000 0.447 472 V N 2.658 122.561 119.914 -0.018 0.000 2.914 472 V HA 0.701 4.821 4.120 -0.000 0.000 0.314 472 V C -0.392 175.699 176.094 -0.005 0.000 1.084 472 V CA -1.241 61.050 62.300 -0.013 0.000 0.963 472 V CB 2.081 33.890 31.823 -0.023 0.000 1.025 472 V HN 0.537 nan 8.190 nan 0.000 0.432 473 M N 3.941 123.542 119.600 0.002 0.000 2.180 473 M HA 0.603 5.083 4.480 -0.000 0.000 0.350 473 M C -1.517 174.796 176.300 0.022 0.000 1.125 473 M CA -0.349 54.958 55.300 0.011 0.000 1.031 473 M CB 1.350 33.959 32.600 0.014 0.000 1.623 473 M HN 0.705 nan 8.290 nan 0.000 0.451 474 V N 6.506 126.438 119.914 0.031 0.000 2.284 474 V HA 0.286 4.406 4.120 -0.000 0.000 0.274 474 V C 0.127 176.283 176.094 0.104 0.000 1.023 474 V CA -0.980 61.357 62.300 0.062 0.000 0.808 474 V CB 0.817 32.653 31.823 0.022 0.000 1.035 474 V HN 0.803 nan 8.190 nan 0.000 0.445 475 K N 2.886 123.373 120.400 0.145 0.000 2.476 475 K HA -0.108 4.212 4.320 -0.000 0.000 0.273 475 K C 0.660 177.273 176.600 0.022 0.000 1.056 475 K CA 0.131 56.450 56.287 0.054 0.000 1.150 475 K CB 0.445 32.937 32.500 -0.013 0.000 0.838 475 K HN 0.551 nan 8.250 nan 0.000 0.486 476 D N 3.065 123.452 120.400 -0.022 0.000 2.271 476 D HA -0.158 4.482 4.640 -0.000 0.000 0.207 476 D C 0.801 177.072 176.300 -0.049 0.000 0.983 476 D CA 1.264 55.255 54.000 -0.015 0.000 0.878 476 D CB -0.001 40.781 40.800 -0.030 0.000 0.920 476 D HN 0.521 nan 8.370 nan 0.000 0.479 477 D N -0.545 119.748 120.400 -0.178 0.000 2.158 477 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 477 D C 1.740 177.906 176.300 -0.223 0.000 0.995 477 D CA 0.963 54.808 54.000 -0.258 0.000 0.846 477 D CB -0.417 40.133 40.800 -0.417 0.000 0.941 477 D HN 0.440 nan 8.370 nan 0.000 0.456 478 Y N 0.132 120.414 120.300 -0.031 0.000 2.200 478 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 478 Y C 2.487 178.316 175.900 -0.119 0.000 1.137 478 Y CA 0.322 58.372 58.100 -0.083 0.000 1.163 478 Y CB -0.391 37.960 38.460 -0.183 0.000 0.988 478 Y HN -0.142 nan 8.280 nan 0.000 0.518 479 V N -0.583 119.355 119.914 0.039 0.000 2.594 479 V HA -0.312 3.808 4.120 -0.000 0.000 0.253 479 V C 1.763 177.877 176.094 0.033 0.000 1.069 479 V CA 2.162 64.461 62.300 -0.002 0.000 1.082 479 V CB -0.691 31.148 31.823 0.028 0.000 0.680 479 V HN 0.434 nan 8.190 nan 0.000 0.469 480 H N -0.204 118.837 119.070 -0.047 0.000 2.329 480 H HA -0.048 4.508 4.556 -0.000 0.000 0.306 480 H C 2.295 177.574 175.328 -0.080 0.000 1.062 480 H CA 1.707 57.720 56.048 -0.059 0.000 1.364 480 H CB 0.083 29.798 29.762 -0.078 0.000 1.409 480 H HN 0.380 nan 8.280 nan 0.000 0.519 481 E N 0.187 120.398 120.200 0.018 0.000 2.058 481 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 481 E C 1.788 178.150 176.600 -0.398 0.000 0.997 481 E CA 1.289 57.599 56.400 -0.150 0.000 0.801 481 E CB -0.562 29.088 29.700 -0.083 0.000 0.746 481 E HN 0.324 nan 8.360 nan 0.000 0.450 482 F N 0.252 119.917 119.950 -0.475 0.000 2.154 482 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 482 F C 2.545 178.196 175.800 -0.248 0.000 1.087 482 F CA 1.079 58.827 58.000 -0.421 0.000 1.274 482 F CB -0.826 38.124 39.000 -0.083 0.000 1.009 482 F HN 0.212 nan 8.300 nan 0.000 0.485 483 C N -0.817 118.450 119.300 -0.055 0.000 2.432 483 C HA -0.108 4.352 4.460 -0.000 0.000 0.280 483 C C 2.857 177.776 174.990 -0.118 0.000 1.353 483 C CA 0.570 59.532 59.018 -0.093 0.000 1.766 483 C CB -1.192 26.464 27.740 -0.141 0.000 1.924 483 C HN 0.419 nan 8.230 nan 0.000 0.509 484 R N -0.015 120.385 120.500 -0.168 0.000 2.073 484 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 484 R C 2.054 178.341 176.300 -0.021 0.000 1.134 484 R CA 1.755 57.790 56.100 -0.108 0.000 0.952 484 R CB -0.519 29.711 30.300 -0.116 0.000 0.850 484 R HN 0.659 nan 8.270 nan 0.000 0.433 485 Y N -0.292 119.906 120.300 -0.170 0.000 2.081 485 Y HA -0.155 4.395 4.550 -0.000 0.000 0.280 485 Y C 1.637 177.340 175.900 -0.327 0.000 1.163 485 Y CA 0.212 58.128 58.100 -0.306 0.000 1.135 485 Y CB -0.344 37.810 38.460 -0.510 0.000 0.970 485 Y HN 0.487 nan 8.280 nan 0.000 0.498 486 G N 0.141 108.871 108.800 -0.116 0.000 2.314 486 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.292 486 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.292 486 G C 0.622 175.374 174.900 -0.247 0.000 1.059 486 G CA 0.176 45.197 45.100 -0.131 0.000 0.982 486 G HN 1.223 nan 8.290 nan 0.000 0.505 487 A N -2.808 119.666 122.820 -0.576 0.000 2.869 487 A HA 0.126 4.446 4.320 -0.000 0.000 0.272 487 A C 2.022 179.242 177.584 -0.607 0.000 1.332 487 A CA 2.035 53.555 52.037 -0.860 0.000 0.939 487 A CB -1.714 17.098 19.000 -0.314 0.000 1.018 487 A HN 2.693 nan 8.150 nan 0.000 0.696 488 A N -0.308 122.220 122.820 -0.487 0.000 2.507 488 A HA 0.410 4.730 4.320 -0.000 0.000 0.235 488 A C 0.604 177.978 177.584 -0.352 0.000 1.070 488 A CA 1.035 52.877 52.037 -0.325 0.000 0.768 488 A CB 0.096 18.943 19.000 -0.255 0.000 1.011 488 A HN 1.050 nan 8.150 nan 0.000 0.502 489 E N 1.941 122.012 120.200 -0.215 0.000 3.167 489 E HA 0.335 4.685 4.350 -0.000 0.000 0.212 489 E C -2.642 173.898 176.600 -0.101 0.000 1.143 489 E CA -1.892 54.411 56.400 -0.161 0.000 1.002 489 E CB 0.335 29.979 29.700 -0.094 0.000 1.315 489 E HN 0.404 nan 8.360 nan 0.000 0.422 490 P HA -0.061 nan 4.420 nan 0.000 0.261 490 P C 0.034 177.327 177.300 -0.012 0.000 1.183 490 P CA 0.318 63.371 63.100 -0.077 0.000 0.761 490 P CB 0.520 32.139 31.700 -0.134 0.000 0.785 491 H N 3.209 122.248 119.070 -0.053 0.000 2.422 491 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 491 H C 1.644 176.961 175.328 -0.017 0.000 1.098 491 H CA 2.577 58.607 56.048 -0.030 0.000 1.315 491 H CB -0.213 29.530 29.762 -0.031 0.000 1.382 491 H HN 0.403 nan 8.280 nan 0.000 0.523 492 T N -1.973 112.526 114.554 -0.091 0.000 2.904 492 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 492 T C 2.027 176.698 174.700 -0.050 0.000 1.059 492 T CA 1.078 63.113 62.100 -0.108 0.000 1.137 492 T CB -0.161 68.693 68.868 -0.023 0.000 0.879 492 T HN 0.197 nan 8.240 nan 0.000 0.467 493 I N 2.284 122.839 120.570 -0.026 0.000 2.286 493 I HA 0.120 4.290 4.170 -0.000 0.000 0.245 493 I C 3.116 179.261 176.117 0.047 0.000 1.104 493 I CA 0.961 62.294 61.300 0.055 0.000 1.397 493 I CB -1.772 36.222 38.000 -0.008 0.000 1.072 493 I HN 0.361 nan 8.210 nan 0.000 0.417 494 A N 1.118 123.913 122.820 -0.041 0.000 1.933 494 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 494 A C 2.585 180.114 177.584 -0.093 0.000 1.175 494 A CA 1.934 53.944 52.037 -0.045 0.000 0.628 494 A CB -0.685 18.291 19.000 -0.040 0.000 0.814 494 A HN 0.401 nan 8.150 nan 0.000 0.444 495 A N -0.832 121.858 122.820 -0.217 0.000 1.858 495 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 495 A C 2.050 179.563 177.584 -0.118 0.000 1.190 495 A CA 1.548 53.448 52.037 -0.227 0.000 0.617 495 A CB -0.838 17.955 19.000 -0.345 0.000 0.827 495 A HN 0.718 nan 8.150 nan 0.000 0.443 496 F N 0.294 120.118 119.950 -0.210 0.000 2.011 496 F HA -0.251 4.276 4.527 -0.000 0.000 0.296 496 F C 1.948 177.596 175.800 -0.254 0.000 1.144 496 F CA 2.272 60.117 58.000 -0.259 0.000 1.185 496 F CB -0.523 38.258 39.000 -0.365 0.000 0.961 496 F HN 0.194 nan 8.300 nan 0.000 0.485 497 L N 0.970 122.294 121.223 0.168 0.000 2.189 497 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 497 L C 2.372 179.177 176.870 -0.108 0.000 1.097 497 L CA 2.077 56.962 54.840 0.075 0.000 0.764 497 L CB -1.334 40.824 42.059 0.166 0.000 0.900 497 L HN 0.338 nan 8.230 nan 0.000 0.436 498 G N -1.477 107.253 108.800 -0.116 0.000 2.408 498 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 498 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 498 G C 1.443 176.229 174.900 -0.191 0.000 1.150 498 G CA 0.532 45.555 45.100 -0.129 0.000 0.776 498 G HN 0.564 nan 8.290 nan 0.000 0.542 499 G N 0.780 109.417 108.800 -0.272 0.000 2.411 499 G HA2 0.200 4.160 3.960 -0.000 0.000 0.213 499 G HA3 0.200 4.160 3.960 -0.000 0.000 0.213 499 G C 2.045 176.723 174.900 -0.370 0.000 1.166 499 G CA 1.269 46.188 45.100 -0.302 0.000 0.802 499 G HN 0.553 nan 8.290 nan 0.000 0.533 500 A N 1.419 123.931 122.820 -0.513 0.000 1.892 500 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 500 A C 2.783 180.115 177.584 -0.420 0.000 1.188 500 A CA 2.592 54.293 52.037 -0.561 0.000 0.631 500 A CB -0.858 17.731 19.000 -0.686 0.000 0.822 500 A HN 0.791 nan 8.150 nan 0.000 0.447 501 A N -0.533 122.100 122.820 -0.313 0.000 1.929 501 A HA 0.261 4.581 4.320 -0.000 0.000 0.216 501 A C 2.495 179.971 177.584 -0.180 0.000 1.176 501 A CA 1.827 53.732 52.037 -0.220 0.000 0.628 501 A CB -0.968 17.947 19.000 -0.141 0.000 0.816 501 A HN 1.083 nan 8.150 nan 0.000 0.444 502 A N -0.817 121.892 122.820 -0.185 0.000 1.908 502 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 502 A C 2.144 179.629 177.584 -0.164 0.000 1.181 502 A CA 2.176 54.117 52.037 -0.161 0.000 0.627 502 A CB -0.505 18.402 19.000 -0.155 0.000 0.818 502 A HN 0.490 nan 8.150 nan 0.000 0.445 503 Q N -0.205 119.478 119.800 -0.195 0.000 2.224 503 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 503 Q C 1.723 177.623 176.000 -0.166 0.000 0.970 503 Q CA 1.762 57.451 55.803 -0.191 0.000 0.865 503 Q CB -0.209 28.383 28.738 -0.242 0.000 0.922 503 Q HN 0.663 nan 8.270 nan 0.000 0.445 504 E N -0.818 119.289 120.200 -0.156 0.000 2.158 504 E HA -0.055 4.294 4.350 -0.000 0.000 0.191 504 E C 2.049 178.602 176.600 -0.078 0.000 0.982 504 E CA 0.866 57.218 56.400 -0.080 0.000 0.823 504 E CB -0.176 29.529 29.700 0.008 0.000 0.766 504 E HN 0.231 nan 8.360 nan 0.000 0.468 505 V N 1.903 121.760 119.914 -0.096 0.000 2.295 505 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 505 V C 2.429 178.454 176.094 -0.114 0.000 1.049 505 V CA 1.426 63.668 62.300 -0.097 0.000 1.024 505 V CB -0.467 31.294 31.823 -0.104 0.000 0.648 505 V HN 0.201 nan 8.190 nan 0.000 0.447 506 I N -0.472 120.009 120.570 -0.148 0.000 2.361 506 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 506 I C 2.516 178.548 176.117 -0.142 0.000 1.133 506 I CA 1.537 62.710 61.300 -0.211 0.000 1.413 506 I CB -0.434 37.388 38.000 -0.297 0.000 1.073 506 I HN 0.312 nan 8.210 nan 0.000 0.424 507 K N 0.921 121.281 120.400 -0.065 0.000 2.057 507 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 507 K C 2.055 178.679 176.600 0.040 0.000 1.049 507 K CA 1.394 57.707 56.287 0.043 0.000 0.931 507 K CB -0.148 32.377 32.500 0.041 0.000 0.714 507 K HN 0.289 nan 8.250 nan 0.000 0.440 508 I N 0.934 121.476 120.570 -0.048 0.000 2.179 508 I HA -0.284 3.885 4.170 -0.000 0.000 0.242 508 I C 2.275 178.436 176.117 0.073 0.000 1.088 508 I CA 1.287 62.592 61.300 0.009 0.000 1.357 508 I CB -0.366 37.590 38.000 -0.074 0.000 1.051 508 I HN 0.102 nan 8.210 nan 0.000 0.409 509 I N 0.858 121.416 120.570 -0.019 0.000 2.179 509 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 509 I C 2.752 178.836 176.117 -0.055 0.000 1.088 509 I CA 2.194 63.466 61.300 -0.046 0.000 1.357 509 I CB -0.589 37.347 38.000 -0.106 0.000 1.051 509 I HN 0.413 nan 8.210 nan 0.000 0.409 510 T N -2.700 111.803 114.554 -0.085 0.000 3.043 510 T HA 0.006 4.356 4.350 -0.000 0.000 0.263 510 T C 1.067 175.768 174.700 0.003 0.000 1.094 510 T CA 0.126 62.174 62.100 -0.086 0.000 1.127 510 T CB -0.110 68.667 68.868 -0.152 0.000 0.905 510 T HN 0.264 nan 8.240 nan 0.000 0.490 511 K N 0.630 121.074 120.400 0.072 0.000 3.069 511 K HA -0.247 4.073 4.320 -0.000 0.000 0.267 511 K C 1.058 177.692 176.600 0.057 0.000 1.082 511 K CA 0.892 57.225 56.287 0.077 0.000 0.782 511 K CB -1.208 31.266 32.500 -0.044 0.000 1.230 511 K HN 0.602 nan 8.250 nan 0.000 0.488 512 Q N -0.691 119.175 119.800 0.110 0.000 2.240 512 Q HA 0.128 4.467 4.340 -0.000 0.000 0.194 512 Q C 0.770 176.769 176.000 -0.000 0.000 0.982 512 Q CA 0.639 56.461 55.803 0.031 0.000 0.842 512 Q CB 0.131 28.898 28.738 0.048 0.000 0.941 512 Q HN 0.178 nan 8.270 nan 0.000 0.516 513 F N 0.474 120.530 119.950 0.176 0.000 2.139 513 F HA 0.179 4.706 4.527 -0.000 0.000 0.273 513 F C 0.475 176.331 175.800 0.094 0.000 1.058 513 F CA -0.801 57.291 58.000 0.153 0.000 1.149 513 F CB -0.022 39.045 39.000 0.112 0.000 1.739 513 F HN -0.206 nan 8.300 nan 0.000 0.536 514 V N 1.777 121.856 119.914 0.275 0.000 2.547 514 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 514 V C 0.006 176.170 176.094 0.117 0.000 1.040 514 V CA -0.986 61.408 62.300 0.157 0.000 0.913 514 V CB 1.307 33.200 31.823 0.115 0.000 0.992 514 V HN 0.523 nan 8.190 nan 0.000 0.449 515 I N 1.357 121.960 120.570 0.054 0.000 2.664 515 I HA 0.657 4.827 4.170 -0.000 0.000 0.308 515 I C 0.086 176.255 176.117 0.087 0.000 0.984 515 I CA -0.699 60.630 61.300 0.049 0.000 1.213 515 I CB 1.241 39.165 38.000 -0.127 0.000 1.379 515 I HN 0.648 nan 8.210 nan 0.000 0.501 516 F N 1.645 121.545 119.950 -0.083 0.000 2.450 516 F HA 0.392 4.919 4.527 -0.000 0.000 0.339 516 F C 0.128 175.912 175.800 -0.026 0.000 1.146 516 F CA -0.613 57.358 58.000 -0.049 0.000 1.267 516 F CB 0.151 39.115 39.000 -0.060 0.000 1.178 516 F HN 0.503 nan 8.300 nan 0.000 0.585 517 N N 3.501 122.127 118.700 -0.124 0.000 2.426 517 N HA 0.216 4.956 4.740 -0.000 0.000 0.257 517 N C -0.406 174.994 175.510 -0.185 0.000 1.002 517 N CA 0.106 53.037 53.050 -0.200 0.000 0.942 517 N CB 0.119 38.571 38.487 -0.058 0.000 1.112 517 N HN 0.932 nan 8.380 nan 0.000 0.499 518 N N 1.414 119.926 118.700 -0.314 0.000 5.393 518 N HA -0.230 4.510 4.740 -0.000 0.000 0.330 518 N C -1.247 174.248 175.510 -0.025 0.000 0.915 518 N CA 1.234 54.190 53.050 -0.158 0.000 1.070 518 N CB -0.997 37.480 38.487 -0.016 0.000 0.848 518 N HN 0.520 nan 8.380 nan 0.000 0.486 519 T N 1.106 115.725 114.554 0.109 0.000 2.905 519 T HA 0.111 4.460 4.350 -0.000 0.000 0.299 519 T C -0.232 174.676 174.700 0.347 0.000 1.024 519 T CA 0.624 62.836 62.100 0.188 0.000 1.151 519 T CB -0.292 68.604 68.868 0.047 0.000 0.987 519 T HN 0.373 nan 8.240 nan 0.000 0.535 520 Y N 4.298 124.690 120.300 0.153 0.000 2.328 520 Y HA 0.507 5.057 4.550 -0.000 0.000 0.337 520 Y C -0.813 175.133 175.900 0.077 0.000 0.966 520 Y CA -1.708 56.413 58.100 0.035 0.000 1.136 520 Y CB 0.604 38.884 38.460 -0.299 0.000 1.170 520 Y HN 0.440 nan 8.280 nan 0.000 0.470 521 I N 7.532 127.882 120.570 -0.366 0.000 2.433 521 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 521 I C -1.230 174.711 176.117 -0.292 0.000 1.001 521 I CA -0.995 60.233 61.300 -0.122 0.000 1.119 521 I CB 1.222 39.310 38.000 0.146 0.000 1.289 521 I HN 0.644 nan 8.210 nan 0.000 0.438 522 Y N 5.352 125.524 120.300 -0.214 0.000 2.373 522 Y HA 0.480 5.030 4.550 -0.000 0.000 0.336 522 Y C -0.416 175.387 175.900 -0.163 0.000 0.979 522 Y CA -0.830 57.131 58.100 -0.233 0.000 1.080 522 Y CB 1.837 40.171 38.460 -0.210 0.000 1.190 522 Y HN 0.553 nan 8.280 nan 0.000 0.446 523 S N 3.935 119.210 115.700 -0.708 0.000 2.422 523 S HA 0.425 4.895 4.470 -0.000 0.000 0.308 523 S C 0.964 175.003 174.600 -0.934 0.000 1.097 523 S CA 0.101 57.933 58.200 -0.615 0.000 1.099 523 S CB 0.585 63.642 63.200 -0.239 0.000 0.976 523 S HN 1.109 nan 8.310 nan 0.000 0.471 524 G N 4.526 112.840 108.800 -0.811 0.000 2.464 524 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.217 524 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.217 524 G C 1.183 175.926 174.900 -0.262 0.000 1.138 524 G CA 0.380 45.135 45.100 -0.574 0.000 0.793 524 G HN 0.708 nan 8.290 nan 0.000 0.539 525 M N 1.652 121.148 119.600 -0.173 0.000 2.065 525 M HA -0.085 4.395 4.480 -0.000 0.000 0.259 525 M C 2.713 178.978 176.300 -0.058 0.000 1.071 525 M CA 2.088 57.355 55.300 -0.056 0.000 1.109 525 M CB -0.215 32.402 32.600 0.029 0.000 1.313 525 M HN 0.302 nan 8.290 nan 0.000 0.408 526 S N -1.688 113.969 115.700 -0.071 0.000 2.556 526 S HA 0.092 4.562 4.470 -0.000 0.000 0.216 526 S C 0.487 175.055 174.600 -0.053 0.000 0.970 526 S CA -0.317 57.858 58.200 -0.042 0.000 0.912 526 S CB 0.112 63.305 63.200 -0.012 0.000 0.790 526 S HN 0.449 nan 8.310 nan 0.000 0.504 527 Q N 1.648 121.381 119.800 -0.113 0.000 2.452 527 Q HA -0.139 4.201 4.340 -0.000 0.000 0.318 527 Q C 0.015 176.028 176.000 0.020 0.000 1.386 527 Q CA 1.426 57.204 55.803 -0.042 0.000 0.872 527 Q CB -2.546 26.203 28.738 0.020 0.000 1.151 527 Q HN 0.961 nan 8.270 nan 0.000 0.417 528 T N -3.492 111.045 114.554 -0.027 0.000 2.865 528 T HA 0.857 5.207 4.350 -0.000 0.000 0.294 528 T C -0.011 174.713 174.700 0.039 0.000 1.119 528 T CA 0.057 62.175 62.100 0.031 0.000 1.007 528 T CB 2.813 71.687 68.868 0.009 0.000 1.225 528 T HN 0.413 nan 8.240 nan 0.000 0.515 529 S N -0.316 115.414 115.700 0.050 0.000 2.719 529 S HA 0.963 5.432 4.470 -0.000 0.000 0.279 529 S C -1.140 173.400 174.600 -0.099 0.000 1.182 529 S CA -0.516 57.661 58.200 -0.039 0.000 0.824 529 S CB 1.194 64.428 63.200 0.056 0.000 1.173 529 S HN 2.275 nan 8.310 nan 0.000 0.492 530 A N 0.120 122.774 122.820 -0.278 0.000 2.581 530 A HA 0.686 5.006 4.320 -0.000 0.000 0.294 530 A C -0.842 176.474 177.584 -0.447 0.000 1.035 530 A CA -0.682 51.170 52.037 -0.307 0.000 0.684 530 A CB 0.797 19.603 19.000 -0.324 0.000 1.282 530 A HN 1.019 nan 8.150 nan 0.000 0.417 531 T N 1.187 115.476 114.554 -0.441 0.000 2.855 531 T HA 0.764 5.114 4.350 -0.000 0.000 0.281 531 T C -0.982 173.340 174.700 -0.630 0.000 1.007 531 T CA 0.054 62.009 62.100 -0.242 0.000 1.009 531 T CB 0.456 69.374 68.868 0.084 0.000 0.983 531 T HN 0.403 nan 8.240 nan 0.000 0.455 532 F N 0.847 120.825 119.950 0.046 0.000 2.576 532 F HA 0.446 4.973 4.527 -0.000 0.000 0.313 532 F C 0.607 176.399 175.800 -0.013 0.000 1.078 532 F CA -1.034 56.959 58.000 -0.011 0.000 0.921 532 F CB 2.197 41.147 39.000 -0.084 0.000 1.232 532 F HN 0.362 nan 8.300 nan 0.000 0.459 533 Q N 3.029 122.925 119.800 0.159 0.000 2.901 533 Q HA 0.418 4.758 4.340 -0.000 0.000 0.265 533 Q C -0.691 175.346 176.000 0.061 0.000 1.263 533 Q CA -0.223 55.629 55.803 0.080 0.000 1.088 533 Q CB 0.296 29.069 28.738 0.058 0.000 1.339 533 Q HN 0.607 nan 8.270 nan 0.000 0.546 534 L N 0.000 121.242 121.223 0.032 0.000 2.949 534 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 534 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 534 L CB 0.000 41.968 42.059 -0.152 0.000 0.961 534 L HN 0.000 nan 8.230 nan 0.000 0.502