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 1eu8_1_A DATA FIRST_RESID 2 DATA SEQUENCE IEEGKIVFAV GGAPNEIEYW KGVIAEFEKK YPGVTVELKR QATDTEQRRL DATA SEQUENCE DLVNALRGKS SDPDVFLMDV AWLGQFIASG WLEPLDDYVQ KDNYDLSVFF DATA SEQUENCE QSVINLADKQ GGKLYALPVY IDAGLLYYRK DLLEKYGYSK PPETWQELVE DATA SEQUENCE MAQKIQSGER ETNPNFWGFV WQGKQYEGLV CDFVEYVYSN GGSLGEFKDG DATA SEQUENCE KWVPTLNKPE NVEALQFMVD LIHKYKISPP NTYTEMTEEP VRLMFQQGNA DATA SEQUENCE AFERNWPYAW GLHNADDSPV KGKVGVAPLP HFPGHKSAAT LGGWHIGISK DATA SEQUENCE YSDNKALAWE FVKFVESYSV QKGFAMNLGW NPGRVDVYDD PAVVSKSPHL DATA SEQUENCE KELRAVFENA VPRPIVPYYP QLSEIIQKYV NSALAGKISP QEALDKAQKE DATA SEQUENCE AEELVKQ 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.133 176.117 0.027 0.000 1.063 2 I CA 0.000 61.314 61.300 0.023 0.000 1.566 2 I CB 0.000 38.011 38.000 0.019 0.000 1.214 3 E N 0.604 120.822 120.200 0.030 0.000 2.665 3 E HA 0.112 4.462 4.350 -0.000 0.000 0.165 3 E C 0.483 177.107 176.600 0.040 0.000 0.895 3 E CA 0.049 56.470 56.400 0.036 0.000 1.351 3 E CB 0.971 30.690 29.700 0.033 0.000 1.058 3 E HN 0.476 nan 8.360 nan 0.000 0.514 4 E N 0.464 120.687 120.200 0.039 0.000 2.329 4 E HA 0.165 4.514 4.350 -0.000 0.000 0.189 4 E C 0.996 177.625 176.600 0.049 0.000 0.997 4 E CA 0.309 56.734 56.400 0.043 0.000 1.062 4 E CB 0.413 30.136 29.700 0.037 0.000 1.260 4 E HN 0.055 nan 8.360 nan 0.000 0.490 5 G N 1.539 110.366 108.800 0.046 0.000 4.975 5 G HA2 0.276 4.236 3.960 -0.000 0.000 0.312 5 G HA3 0.276 4.236 3.960 -0.000 0.000 0.312 5 G C -0.594 174.335 174.900 0.049 0.000 1.425 5 G CA -0.177 44.955 45.100 0.053 0.000 1.076 5 G HN -0.164 nan 8.290 nan 0.000 0.586 6 K N 0.796 121.221 120.400 0.043 0.000 2.435 6 K HA 0.780 5.100 4.320 -0.000 0.000 0.251 6 K C -1.161 175.453 176.600 0.022 0.000 0.954 6 K CA -0.952 55.354 56.287 0.031 0.000 0.820 6 K CB 2.302 34.819 32.500 0.028 0.000 1.292 6 K HN 0.306 nan 8.250 nan 0.000 0.436 7 I N -0.574 119.993 120.570 -0.005 0.000 2.743 7 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 7 I C -1.179 174.914 176.117 -0.040 0.000 1.343 7 I CA -1.234 60.051 61.300 -0.025 0.000 1.038 7 I CB 1.958 39.907 38.000 -0.084 0.000 1.311 7 I HN 0.096 nan 8.210 nan 0.000 0.426 8 V N 5.083 125.001 119.914 0.007 0.000 2.394 8 V HA 0.386 4.506 4.120 -0.000 0.000 0.282 8 V C -0.692 175.452 176.094 0.083 0.000 1.031 8 V CA -0.339 61.976 62.300 0.026 0.000 0.881 8 V CB 1.464 33.308 31.823 0.034 0.000 0.982 8 V HN 0.580 nan 8.190 nan 0.000 0.451 9 F N 5.276 125.137 119.950 -0.149 0.000 2.388 9 F HA 0.763 5.290 4.527 -0.000 0.000 0.358 9 F C 0.303 176.065 175.800 -0.064 0.000 1.122 9 F CA -1.364 56.546 58.000 -0.149 0.000 1.056 9 F CB 0.852 39.643 39.000 -0.348 0.000 1.155 9 F HN 0.537 nan 8.300 nan 0.000 0.461 10 A N 6.404 129.085 122.820 -0.231 0.000 2.260 10 A HA 0.718 5.038 4.320 -0.000 0.000 0.308 10 A C -1.229 175.965 177.584 -0.650 0.000 1.254 10 A CA -0.492 51.358 52.037 -0.312 0.000 0.874 10 A CB 0.794 19.757 19.000 -0.062 0.000 1.153 10 A HN 0.934 nan 8.150 nan 0.000 0.527 11 V N 2.212 121.705 119.914 -0.702 0.000 3.120 11 V HA 0.848 4.967 4.120 -0.000 0.000 0.303 11 V C 0.235 176.074 176.094 -0.424 0.000 1.238 11 V CA 0.460 62.310 62.300 -0.749 0.000 1.008 11 V CB 2.335 33.296 31.823 -1.436 0.000 1.064 11 V HN 1.430 nan 8.190 nan 0.000 0.434 12 G N 1.789 110.377 108.800 -0.354 0.000 3.247 12 G HA2 0.964 4.924 3.960 -0.000 0.000 0.226 12 G HA3 0.964 4.924 3.960 -0.000 0.000 0.226 12 G C 0.152 174.940 174.900 -0.186 0.000 1.220 12 G CA -0.267 44.702 45.100 -0.218 0.000 0.875 12 G HN 2.106 nan 8.290 nan 0.000 0.606 13 G N -1.995 106.697 108.800 -0.179 0.000 2.343 13 G HA2 0.482 4.442 3.960 -0.000 0.000 0.562 13 G HA3 0.482 4.442 3.960 -0.000 0.000 0.562 13 G C -0.001 174.863 174.900 -0.059 0.000 1.269 13 G CA 0.150 45.155 45.100 -0.157 0.000 1.011 13 G HN 1.971 nan 8.290 nan 0.000 0.498 14 A N 0.401 123.179 122.820 -0.071 0.000 2.425 14 A HA 0.667 4.987 4.320 -0.000 0.000 0.242 14 A C -0.382 177.245 177.584 0.071 0.000 1.077 14 A CA 0.301 52.336 52.037 -0.002 0.000 0.781 14 A CB -0.055 18.951 19.000 0.010 0.000 1.020 14 A HN 0.489 nan 8.150 nan 0.000 0.494 15 P HA -0.255 nan 4.420 nan 0.000 0.217 15 P C 1.302 178.664 177.300 0.104 0.000 1.158 15 P CA 1.952 65.103 63.100 0.085 0.000 0.887 15 P CB -0.121 31.624 31.700 0.074 0.000 0.792 16 N N 0.053 118.816 118.700 0.105 0.000 2.223 16 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 16 N C 1.401 176.970 175.510 0.098 0.000 1.016 16 N CA 1.553 54.659 53.050 0.094 0.000 0.863 16 N CB -0.885 37.645 38.487 0.073 0.000 0.983 16 N HN 0.290 nan 8.380 nan 0.000 0.429 17 E N 0.661 120.925 120.200 0.106 0.000 2.072 17 E HA 0.004 4.353 4.350 -0.000 0.000 0.191 17 E C 2.177 178.947 176.600 0.283 0.000 0.985 17 E CA 0.744 57.202 56.400 0.097 0.000 0.801 17 E CB -0.062 29.765 29.700 0.211 0.000 0.750 17 E HN 0.387 nan 8.360 nan 0.000 0.452 18 I N 1.486 122.244 120.570 0.312 0.000 2.226 18 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 18 I C 2.326 178.631 176.117 0.315 0.000 1.100 18 I CA 0.928 62.449 61.300 0.367 0.000 1.374 18 I CB -0.183 37.934 38.000 0.195 0.000 1.057 18 I HN 0.039 nan 8.210 nan 0.000 0.413 19 E N 0.176 120.502 120.200 0.210 0.000 2.110 19 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 19 E C 2.007 178.703 176.600 0.161 0.000 0.988 19 E CA 1.361 57.858 56.400 0.161 0.000 0.804 19 E CB -0.477 29.291 29.700 0.114 0.000 0.745 19 E HN 0.532 nan 8.360 nan 0.000 0.458 20 Y N -0.351 119.968 120.300 0.032 0.000 2.181 20 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 20 Y C 2.052 177.973 175.900 0.035 0.000 1.146 20 Y CA 1.580 59.644 58.100 -0.060 0.000 1.164 20 Y CB -0.450 37.852 38.460 -0.264 0.000 0.982 20 Y HN 0.042 nan 8.280 nan 0.000 0.515 21 W N 0.735 122.214 121.300 0.298 0.000 2.342 21 W HA -0.195 4.465 4.660 -0.000 0.000 0.297 21 W C 2.365 179.034 176.519 0.250 0.000 1.213 21 W CA 1.467 59.023 57.345 0.351 0.000 1.251 21 W CB -0.149 29.550 29.460 0.398 0.000 1.136 21 W HN -0.075 nan 8.180 nan 0.000 0.526 22 K N -0.381 120.246 120.400 0.379 0.000 2.063 22 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 22 K C 2.355 179.056 176.600 0.169 0.000 1.048 22 K CA 1.420 57.857 56.287 0.250 0.000 0.928 22 K CB -0.909 31.690 32.500 0.165 0.000 0.713 22 K HN 0.264 nan 8.250 nan 0.000 0.442 23 G N 0.796 109.620 108.800 0.041 0.000 2.422 23 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 23 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 23 G C 1.558 176.466 174.900 0.013 0.000 1.146 23 G CA 0.549 45.613 45.100 -0.059 0.000 0.769 23 G HN 0.089 nan 8.290 nan 0.000 0.547 24 V N 1.118 121.074 119.914 0.070 0.000 2.343 24 V HA -0.139 3.980 4.120 -0.000 0.000 0.247 24 V C 2.778 179.170 176.094 0.496 0.000 1.051 24 V CA 1.460 63.925 62.300 0.275 0.000 1.036 24 V CB -0.334 31.731 31.823 0.403 0.000 0.654 24 V HN 0.397 nan 8.190 nan 0.000 0.451 25 I N 0.321 121.182 120.570 0.486 0.000 2.226 25 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 25 I C 2.660 178.976 176.117 0.331 0.000 1.100 25 I CA 1.445 63.018 61.300 0.455 0.000 1.374 25 I CB -0.586 37.619 38.000 0.341 0.000 1.057 25 I HN 0.301 nan 8.210 nan 0.000 0.413 26 A N 0.615 123.571 122.820 0.228 0.000 1.877 26 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 26 A C 2.197 179.860 177.584 0.132 0.000 1.186 26 A CA 1.817 53.941 52.037 0.144 0.000 0.620 26 A CB -0.631 18.425 19.000 0.093 0.000 0.822 26 A HN 0.441 nan 8.150 nan 0.000 0.443 27 E N -1.510 118.795 120.200 0.176 0.000 2.110 27 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 27 E C 1.735 178.358 176.600 0.038 0.000 0.988 27 E CA 1.279 57.783 56.400 0.172 0.000 0.804 27 E CB -0.268 29.629 29.700 0.327 0.000 0.745 27 E HN 0.697 nan 8.360 nan 0.000 0.458 28 F N 2.075 121.933 119.950 -0.154 0.000 2.102 28 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 28 F C 1.878 177.607 175.800 -0.117 0.000 1.105 28 F CA 1.553 59.252 58.000 -0.502 0.000 1.239 28 F CB 0.048 38.923 39.000 -0.209 0.000 0.991 28 F HN -0.100 nan 8.300 nan 0.000 0.474 29 E N -0.060 120.125 120.200 -0.025 0.000 2.204 29 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 29 E C 2.073 178.604 176.600 -0.114 0.000 0.989 29 E CA 0.887 57.238 56.400 -0.081 0.000 0.824 29 E CB -0.168 29.563 29.700 0.051 0.000 0.756 29 E HN 0.417 nan 8.360 nan 0.000 0.477 30 K N 1.547 121.891 120.400 -0.093 0.000 2.103 30 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 30 K C 1.756 178.256 176.600 -0.167 0.000 1.052 30 K CA 1.055 57.288 56.287 -0.091 0.000 0.945 30 K CB 0.191 32.665 32.500 -0.043 0.000 0.722 30 K HN -0.088 nan 8.250 nan 0.000 0.443 31 K N -0.624 119.624 120.400 -0.254 0.000 2.228 31 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 31 K C -0.128 176.072 176.600 -0.667 0.000 1.051 31 K CA 0.776 56.813 56.287 -0.415 0.000 0.960 31 K CB 0.212 32.448 32.500 -0.439 0.000 0.743 31 K HN 0.109 nan 8.250 nan 0.000 0.458 32 Y N 0.168 120.178 120.300 -0.483 0.000 2.863 32 Y HA 0.214 4.764 4.550 -0.000 0.000 0.348 32 Y C -2.071 173.653 175.900 -0.293 0.000 1.028 32 Y CA -2.567 55.274 58.100 -0.432 0.000 1.213 32 Y CB 1.102 39.139 38.460 -0.704 0.000 1.120 32 Y HN -0.018 nan 8.280 nan 0.000 0.598 33 P HA -0.204 nan 4.420 nan 0.000 0.218 33 P C 1.390 178.673 177.300 -0.029 0.000 1.154 33 P CA 1.936 64.997 63.100 -0.066 0.000 0.872 33 P CB 0.338 31.997 31.700 -0.069 0.000 0.790 34 G N -1.434 107.360 108.800 -0.010 0.000 3.591 34 G HA2 0.324 4.284 3.960 -0.000 0.000 0.282 34 G HA3 0.324 4.284 3.960 -0.000 0.000 0.282 34 G C -0.274 174.640 174.900 0.023 0.000 1.238 34 G CA 0.036 45.141 45.100 0.009 0.000 0.993 34 G HN 0.137 nan 8.290 nan 0.000 0.542 35 V N -0.291 119.635 119.914 0.019 0.000 2.962 35 V HA 0.659 4.779 4.120 -0.000 0.000 0.313 35 V C -0.399 175.730 176.094 0.058 0.000 1.099 35 V CA -0.515 61.812 62.300 0.045 0.000 0.971 35 V CB 2.535 34.390 31.823 0.054 0.000 1.028 35 V HN 0.131 nan 8.190 nan 0.000 0.430 36 T N 2.564 117.160 114.554 0.070 0.000 2.848 36 T HA 0.629 4.979 4.350 -0.000 0.000 0.285 36 T C -0.925 173.804 174.700 0.049 0.000 0.995 36 T CA -0.411 61.726 62.100 0.061 0.000 0.970 36 T CB 1.669 70.561 68.868 0.039 0.000 0.976 36 T HN 0.346 nan 8.240 nan 0.000 0.441 37 V N 3.042 122.978 119.914 0.037 0.000 2.407 37 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 37 V C 0.044 176.122 176.094 -0.027 0.000 1.018 37 V CA -0.811 61.445 62.300 -0.074 0.000 0.842 37 V CB 1.544 33.224 31.823 -0.239 0.000 0.996 37 V HN 0.861 nan 8.190 nan 0.000 0.426 38 E N 3.740 123.927 120.200 -0.022 0.000 2.174 38 E HA 0.417 4.767 4.350 -0.000 0.000 0.282 38 E C -1.014 175.603 176.600 0.027 0.000 0.992 38 E CA -0.840 55.568 56.400 0.013 0.000 0.803 38 E CB 1.657 31.364 29.700 0.012 0.000 1.090 38 E HN 0.571 nan 8.360 nan 0.000 0.396 39 L N 5.164 126.416 121.223 0.049 0.000 2.331 39 L HA 0.245 4.585 4.340 -0.000 0.000 0.278 39 L C -0.549 176.317 176.870 -0.007 0.000 1.106 39 L CA 0.190 55.059 54.840 0.048 0.000 0.824 39 L CB 0.755 42.868 42.059 0.090 0.000 1.142 39 L HN 0.310 nan 8.230 nan 0.000 0.443 40 K N 6.258 126.619 120.400 -0.064 0.000 2.414 40 K HA 0.259 4.579 4.320 -0.000 0.000 0.251 40 K C -0.563 175.968 176.600 -0.115 0.000 1.037 40 K CA -0.580 55.663 56.287 -0.073 0.000 0.980 40 K CB 0.481 32.938 32.500 -0.071 0.000 1.280 40 K HN 0.781 nan 8.250 nan 0.000 0.451 41 R N 2.910 123.366 120.500 -0.073 0.000 2.537 41 R HA 0.059 4.399 4.340 -0.000 0.000 0.280 41 R C -0.267 175.986 176.300 -0.078 0.000 1.058 41 R CA 0.475 56.532 56.100 -0.072 0.000 1.057 41 R CB 0.623 30.909 30.300 -0.023 0.000 0.973 41 R HN 0.574 nan 8.270 nan 0.000 0.438 42 Q N 1.616 121.360 119.800 -0.094 0.000 2.495 42 Q HA 0.540 4.880 4.340 -0.000 0.000 0.283 42 Q C -0.630 175.338 176.000 -0.054 0.000 1.097 42 Q CA -1.087 54.670 55.803 -0.076 0.000 0.836 42 Q CB 1.895 30.577 28.738 -0.093 0.000 1.426 42 Q HN 0.737 nan 8.270 nan 0.000 0.459 43 A N 0.008 122.808 122.820 -0.033 0.000 2.260 43 A HA 0.294 4.614 4.320 -0.000 0.000 0.278 43 A C 0.722 178.291 177.584 -0.025 0.000 1.269 43 A CA 0.054 52.081 52.037 -0.016 0.000 0.824 43 A CB -0.037 18.965 19.000 0.003 0.000 1.238 43 A HN 0.761 nan 8.150 nan 0.000 0.507 44 T N -0.364 114.188 114.554 -0.002 0.000 2.983 44 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 44 T C 0.499 175.238 174.700 0.065 0.000 1.037 44 T CA 0.992 63.088 62.100 -0.007 0.000 1.142 44 T CB -0.418 68.456 68.868 0.010 0.000 0.876 44 T HN 0.786 nan 8.240 nan 0.000 0.455 45 D N 1.615 122.077 120.400 0.103 0.000 2.520 45 D HA -0.008 4.631 4.640 -0.000 0.000 0.243 45 D C 1.317 177.777 176.300 0.266 0.000 1.160 45 D CA 0.450 54.566 54.000 0.194 0.000 0.877 45 D CB 0.850 41.732 40.800 0.137 0.000 1.150 45 D HN 0.013 nan 8.370 nan 0.000 0.494 46 T N 2.334 117.130 114.554 0.403 0.000 2.833 46 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 46 T C 1.550 176.534 174.700 0.474 0.000 1.054 46 T CA 1.668 64.123 62.100 0.591 0.000 1.135 46 T CB -0.154 69.100 68.868 0.643 0.000 0.869 46 T HN 0.490 nan 8.240 nan 0.000 0.466 47 E N 0.888 121.258 120.200 0.284 0.000 2.106 47 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 47 E C 2.282 178.895 176.600 0.022 0.000 0.984 47 E CA 1.460 57.916 56.400 0.093 0.000 0.806 47 E CB -0.332 29.422 29.700 0.091 0.000 0.750 47 E HN 0.644 nan 8.360 nan 0.000 0.458 48 Q N -0.296 119.549 119.800 0.075 0.000 2.167 48 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 48 Q C 2.318 178.331 176.000 0.021 0.000 0.970 48 Q CA 1.227 57.046 55.803 0.027 0.000 0.855 48 Q CB -0.082 28.677 28.738 0.035 0.000 0.911 48 Q HN 0.221 nan 8.270 nan 0.000 0.438 49 R N 0.295 120.861 120.500 0.109 0.000 2.075 49 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 49 R C 2.333 178.670 176.300 0.060 0.000 1.126 49 R CA 0.958 57.149 56.100 0.153 0.000 0.963 49 R CB -0.205 30.306 30.300 0.352 0.000 0.858 49 R HN 0.137 nan 8.270 nan 0.000 0.435 50 R N 0.696 121.099 120.500 -0.162 0.000 2.073 50 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 50 R C 1.985 178.080 176.300 -0.340 0.000 1.134 50 R CA 1.275 56.928 56.100 -0.745 0.000 0.952 50 R CB -0.174 29.301 30.300 -1.375 0.000 0.850 50 R HN 0.060 nan 8.270 nan 0.000 0.433 51 L N 1.427 122.510 121.223 -0.234 0.000 2.017 51 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 51 L C 1.991 178.761 176.870 -0.167 0.000 1.073 51 L CA 2.082 56.816 54.840 -0.178 0.000 0.745 51 L CB -0.989 40.997 42.059 -0.122 0.000 0.894 51 L HN 0.271 nan 8.230 nan 0.000 0.432 52 D N -1.028 119.295 120.400 -0.128 0.000 2.133 52 D HA -0.217 4.422 4.640 -0.000 0.000 0.195 52 D C 2.254 178.448 176.300 -0.177 0.000 0.997 52 D CA 1.350 55.275 54.000 -0.125 0.000 0.840 52 D CB 0.020 40.769 40.800 -0.085 0.000 0.947 52 D HN 0.305 nan 8.370 nan 0.000 0.452 53 L N -0.037 121.079 121.223 -0.178 0.000 2.044 53 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 53 L C 2.726 179.324 176.870 -0.452 0.000 1.075 53 L CA 1.050 55.731 54.840 -0.266 0.000 0.747 53 L CB -0.706 41.299 42.059 -0.090 0.000 0.903 53 L HN 0.136 nan 8.230 nan 0.000 0.435 54 V N -2.425 117.200 119.914 -0.483 0.000 2.490 54 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 54 V C 2.102 177.829 176.094 -0.611 0.000 1.061 54 V CA 1.912 63.730 62.300 -0.803 0.000 1.064 54 V CB -0.870 30.615 31.823 -0.563 0.000 0.670 54 V HN 0.405 nan 8.190 nan 0.000 0.461 55 N N 1.621 120.089 118.700 -0.385 0.000 2.166 55 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 55 N C 1.902 177.228 175.510 -0.308 0.000 1.019 55 N CA 1.985 54.860 53.050 -0.291 0.000 0.856 55 N CB -0.593 37.773 38.487 -0.202 0.000 0.993 55 N HN 0.657 nan 8.380 nan 0.000 0.426 56 A N 0.789 123.411 122.820 -0.330 0.000 1.874 56 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 56 A C 2.331 179.683 177.584 -0.386 0.000 1.189 56 A CA 0.690 52.551 52.037 -0.293 0.000 0.615 56 A CB -0.700 18.156 19.000 -0.239 0.000 0.830 56 A HN 0.172 nan 8.150 nan 0.000 0.443 57 L N -0.860 120.029 121.223 -0.557 0.000 2.017 57 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 57 L C 2.765 179.176 176.870 -0.765 0.000 1.073 57 L CA 1.397 55.808 54.840 -0.715 0.000 0.745 57 L CB -0.448 40.909 42.059 -1.170 0.000 0.894 57 L HN 0.317 nan 8.230 nan 0.000 0.432 58 R N -0.176 119.886 120.500 -0.730 0.000 2.193 58 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 58 R C 1.738 177.878 176.300 -0.266 0.000 1.110 58 R CA 0.973 56.863 56.100 -0.350 0.000 0.988 58 R CB -0.368 29.794 30.300 -0.230 0.000 0.871 58 R HN 0.391 nan 8.270 nan 0.000 0.458 59 G N 1.482 110.086 108.800 -0.326 0.000 3.448 59 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.261 59 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.261 59 G C -0.001 174.694 174.900 -0.342 0.000 1.173 59 G CA -0.347 44.597 45.100 -0.261 0.000 0.835 59 G HN 0.201 nan 8.290 nan 0.000 0.534 60 K N -0.152 119.901 120.400 -0.579 0.000 2.948 60 K HA -0.237 4.082 4.320 -0.000 0.000 0.253 60 K C 0.204 176.472 176.600 -0.553 0.000 0.970 60 K CA 0.894 56.580 56.287 -1.002 0.000 0.716 60 K CB -2.665 29.413 32.500 -0.703 0.000 1.249 60 K HN 0.314 nan 8.250 nan 0.000 0.483 61 S N -0.560 114.928 115.700 -0.353 0.000 2.549 61 S HA 0.324 4.794 4.470 -0.000 0.000 0.279 61 S C 1.127 175.707 174.600 -0.033 0.000 1.321 61 S CA -0.046 58.061 58.200 -0.155 0.000 1.054 61 S CB 1.390 64.507 63.200 -0.139 0.000 0.899 61 S HN 0.508 nan 8.310 nan 0.000 0.497 62 S N 3.040 118.761 115.700 0.035 0.000 2.558 62 S HA -0.047 4.423 4.470 -0.000 0.000 0.217 62 S C 1.388 176.042 174.600 0.090 0.000 0.975 62 S CA 0.778 59.046 58.200 0.114 0.000 0.912 62 S CB -0.488 62.775 63.200 0.105 0.000 0.776 62 S HN 0.890 nan 8.310 nan 0.000 0.526 63 D N 2.469 122.894 120.400 0.041 0.000 2.327 63 D HA -0.106 4.534 4.640 -0.000 0.000 0.205 63 D C -1.656 174.685 176.300 0.069 0.000 1.036 63 D CA 1.109 55.128 54.000 0.032 0.000 0.897 63 D CB -1.253 39.542 40.800 -0.008 0.000 1.117 63 D HN 0.312 nan 8.370 nan 0.000 0.471 64 P HA 0.061 nan 4.420 nan 0.000 0.269 64 P C -0.769 176.705 177.300 0.289 0.000 1.252 64 P CA 0.383 63.580 63.100 0.162 0.000 0.780 64 P CB 0.573 32.332 31.700 0.098 0.000 0.829 65 D N 1.898 122.437 120.400 0.232 0.000 2.183 65 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 65 D C 0.561 176.969 176.300 0.181 0.000 0.962 65 D CA 0.939 55.056 54.000 0.196 0.000 0.849 65 D CB 0.306 41.165 40.800 0.099 0.000 0.978 65 D HN 0.178 nan 8.370 nan 0.000 0.488 66 V N -0.174 119.859 119.914 0.199 0.000 3.007 66 V HA 0.683 4.802 4.120 -0.000 0.000 0.311 66 V C -1.885 174.378 176.094 0.283 0.000 1.120 66 V CA -0.799 61.523 62.300 0.037 0.000 0.980 66 V CB 1.633 33.501 31.823 0.075 0.000 1.033 66 V HN 0.155 nan 8.190 nan 0.000 0.429 67 F N 3.291 123.435 119.950 0.323 0.000 2.807 67 F HA 0.674 5.201 4.527 -0.000 0.000 0.316 67 F C -1.884 174.039 175.800 0.205 0.000 1.162 67 F CA -1.345 56.774 58.000 0.197 0.000 0.910 67 F CB 1.037 40.103 39.000 0.111 0.000 1.314 67 F HN 0.419 nan 8.300 nan 0.000 0.454 68 L N 2.293 123.719 121.223 0.338 0.000 2.322 68 L HA 0.701 5.040 4.340 -0.000 0.000 0.279 68 L C -0.680 176.448 176.870 0.430 0.000 1.036 68 L CA -0.773 54.257 54.840 0.316 0.000 0.807 68 L CB 1.782 43.976 42.059 0.226 0.000 1.226 68 L HN 0.681 nan 8.230 nan 0.000 0.433 69 M N 1.854 121.542 119.600 0.148 0.000 2.395 69 M HA 0.299 4.779 4.480 -0.000 0.000 0.307 69 M C -0.746 174.800 176.300 -1.256 0.000 1.091 69 M CA -0.744 54.279 55.300 -0.461 0.000 0.919 69 M CB 2.356 34.683 32.600 -0.454 0.000 1.662 69 M HN 0.403 nan 8.290 nan 0.000 0.440 70 D N 1.642 120.444 120.400 -2.663 0.000 2.424 70 D HA 0.014 4.654 4.640 -0.000 0.000 0.244 70 D C 0.831 176.039 176.300 -1.820 0.000 1.134 70 D CA 0.198 52.486 54.000 -2.854 0.000 0.881 70 D CB 1.717 40.781 40.800 -2.893 0.000 1.191 70 D HN 0.491 nan 8.370 nan 0.000 0.445 71 V N 4.655 123.746 119.914 -1.372 0.000 2.568 71 V HA -0.271 3.849 4.120 -0.000 0.000 0.253 71 V C 2.087 177.679 176.094 -0.836 0.000 1.072 71 V CA 2.609 64.291 62.300 -1.030 0.000 1.084 71 V CB -0.473 30.892 31.823 -0.763 0.000 0.676 71 V HN 0.710 nan 8.190 nan 0.000 0.469 72 A N 0.320 122.612 122.820 -0.879 0.000 1.933 72 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 72 A C 1.883 179.250 177.584 -0.362 0.000 1.175 72 A CA 1.754 53.410 52.037 -0.635 0.000 0.628 72 A CB -0.511 18.228 19.000 -0.434 0.000 0.814 72 A HN 0.938 nan 8.150 nan 0.000 0.444 73 W N -1.555 119.562 121.300 -0.305 0.000 2.846 73 W HA 0.393 5.053 4.660 -0.000 0.000 0.391 73 W C 0.768 177.173 176.519 -0.190 0.000 1.011 73 W CA -0.308 56.951 57.345 -0.143 0.000 1.832 73 W CB -0.675 28.783 29.460 -0.005 0.000 1.151 73 W HN 0.205 nan 8.180 nan 0.000 0.582 74 L N 3.043 124.093 121.223 -0.289 0.000 2.079 74 L HA 0.077 4.417 4.340 -0.000 0.000 0.210 74 L C 2.262 179.118 176.870 -0.023 0.000 1.081 74 L CA 2.778 57.467 54.840 -0.252 0.000 0.752 74 L CB -1.136 40.645 42.059 -0.463 0.000 0.896 74 L HN 0.042 nan 8.230 nan 0.000 0.433 75 G N -1.167 107.598 108.800 -0.059 0.000 2.450 75 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.220 75 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.220 75 G C 1.484 176.408 174.900 0.040 0.000 1.130 75 G CA 0.774 45.853 45.100 -0.035 0.000 0.760 75 G HN 0.598 nan 8.290 nan 0.000 0.557 76 Q N -0.819 119.083 119.800 0.170 0.000 2.084 76 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 76 Q C 2.200 178.307 176.000 0.178 0.000 0.978 76 Q CA 1.181 57.104 55.803 0.200 0.000 0.844 76 Q CB -0.235 28.722 28.738 0.365 0.000 0.898 76 Q HN 0.431 nan 8.270 nan 0.000 0.426 77 F N 0.587 120.595 119.950 0.096 0.000 2.234 77 F HA -0.097 4.429 4.527 -0.000 0.000 0.299 77 F C 2.041 177.777 175.800 -0.106 0.000 1.087 77 F CA 0.671 58.766 58.000 0.159 0.000 1.340 77 F CB -0.269 38.992 39.000 0.436 0.000 1.031 77 F HN 0.106 nan 8.300 nan 0.000 0.500 78 I N -0.549 120.037 120.570 0.028 0.000 2.202 78 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 78 I C 2.608 178.525 176.117 -0.333 0.000 1.091 78 I CA 1.154 62.287 61.300 -0.279 0.000 1.368 78 I CB -0.753 37.071 38.000 -0.292 0.000 1.058 78 I HN 0.057 nan 8.210 nan 0.000 0.410 79 A N 0.102 122.781 122.820 -0.235 0.000 1.902 79 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 79 A C 2.410 179.786 177.584 -0.346 0.000 1.181 79 A CA 2.108 54.007 52.037 -0.231 0.000 0.623 79 A CB -0.689 18.224 19.000 -0.146 0.000 0.818 79 A HN 0.386 nan 8.150 nan 0.000 0.443 80 S N -1.458 113.897 115.700 -0.576 0.000 2.515 80 S HA 0.264 4.734 4.470 -0.000 0.000 0.231 80 S C 1.429 175.527 174.600 -0.837 0.000 0.987 80 S CA 0.948 58.574 58.200 -0.956 0.000 0.936 80 S CB -0.288 61.617 63.200 -2.158 0.000 0.766 80 S HN 1.714 nan 8.310 nan 0.000 0.528 81 G N 0.434 108.906 108.800 -0.546 0.000 2.198 81 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.257 81 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.257 81 G C 0.305 175.131 174.900 -0.123 0.000 1.042 81 G CA 0.221 45.144 45.100 -0.295 0.000 0.791 81 G HN 0.540 nan 8.290 nan 0.000 0.502 82 W N -0.361 120.942 121.300 0.005 0.000 3.139 82 W HA 0.425 5.085 4.660 -0.000 0.000 0.260 82 W C 1.193 177.779 176.519 0.112 0.000 1.312 82 W CA -0.111 57.274 57.345 0.067 0.000 1.606 82 W CB -0.150 29.354 29.460 0.072 0.000 1.118 82 W HN 0.222 nan 8.180 nan 0.000 0.675 83 L N 1.080 122.488 121.223 0.307 0.000 2.322 83 L HA 0.279 4.619 4.340 -0.000 0.000 0.279 83 L C 0.316 177.341 176.870 0.260 0.000 1.036 83 L CA -0.768 54.259 54.840 0.313 0.000 0.807 83 L CB 1.203 43.468 42.059 0.343 0.000 1.226 83 L HN -0.322 nan 8.230 nan 0.000 0.433 84 E N 4.503 124.815 120.200 0.187 0.000 2.259 84 E HA 0.237 4.587 4.350 -0.000 0.000 0.281 84 E C -2.427 174.257 176.600 0.140 0.000 1.037 84 E CA -1.674 54.805 56.400 0.133 0.000 0.854 84 E CB 0.934 30.661 29.700 0.045 0.000 1.051 84 E HN 0.154 nan 8.360 nan 0.000 0.409 85 P HA -0.029 nan 4.420 nan 0.000 0.268 85 P C -0.149 177.101 177.300 -0.084 0.000 1.204 85 P CA -0.192 62.815 63.100 -0.155 0.000 0.768 85 P CB 0.592 32.189 31.700 -0.173 0.000 0.842 86 L N 2.288 123.402 121.223 -0.181 0.000 2.446 86 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 86 L C 1.643 178.412 176.870 -0.170 0.000 1.116 86 L CA 1.220 55.943 54.840 -0.195 0.000 0.844 86 L CB -1.111 40.822 42.059 -0.210 0.000 0.970 86 L HN 0.381 nan 8.230 nan 0.000 0.457 87 D N 0.125 120.434 120.400 -0.151 0.000 2.157 87 D HA -0.298 4.342 4.640 -0.000 0.000 0.191 87 D C 1.419 177.628 176.300 -0.152 0.000 1.004 87 D CA 1.982 55.904 54.000 -0.130 0.000 0.854 87 D CB 0.083 40.807 40.800 -0.128 0.000 0.936 87 D HN 0.395 nan 8.370 nan 0.000 0.446 88 D N -0.686 119.596 120.400 -0.197 0.000 2.117 88 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 88 D C 1.946 177.971 176.300 -0.459 0.000 0.987 88 D CA 0.881 54.680 54.000 -0.334 0.000 0.829 88 D CB -0.051 40.465 40.800 -0.473 0.000 0.961 88 D HN 0.274 nan 8.370 nan 0.000 0.460 89 Y N -0.445 119.538 120.300 -0.529 0.000 2.242 89 Y HA -0.077 4.473 4.550 -0.000 0.000 0.291 89 Y C 2.365 177.876 175.900 -0.649 0.000 1.137 89 Y CA 0.278 57.855 58.100 -0.871 0.000 1.181 89 Y CB -0.746 36.592 38.460 -1.870 0.000 0.989 89 Y HN -0.096 nan 8.280 nan 0.000 0.527 90 V N -0.116 119.588 119.914 -0.350 0.000 2.307 90 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 90 V C 2.498 178.663 176.094 0.119 0.000 1.045 90 V CA 1.867 64.211 62.300 0.074 0.000 1.024 90 V CB -0.597 31.307 31.823 0.135 0.000 0.651 90 V HN 0.352 nan 8.190 nan 0.000 0.449 91 Q N 0.800 120.600 119.800 0.001 0.000 2.045 91 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 91 Q C 2.398 178.412 176.000 0.023 0.000 0.991 91 Q CA 2.624 58.430 55.803 0.006 0.000 0.851 91 Q CB -0.382 28.326 28.738 -0.050 0.000 0.911 91 Q HN 0.840 nan 8.270 nan 0.000 0.418 92 K N -0.380 120.007 120.400 -0.021 0.000 2.097 92 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 92 K C 0.901 177.562 176.600 0.103 0.000 1.049 92 K CA 1.796 58.089 56.287 0.011 0.000 0.933 92 K CB -0.097 32.374 32.500 -0.048 0.000 0.717 92 K HN 0.008 nan 8.250 nan 0.000 0.442 93 D N 0.780 121.297 120.400 0.195 0.000 2.339 93 D HA -0.032 4.608 4.640 -0.000 0.000 0.217 93 D C -0.251 176.208 176.300 0.264 0.000 1.050 93 D CA 0.161 54.328 54.000 0.278 0.000 0.856 93 D CB -0.222 40.849 40.800 0.451 0.000 0.922 93 D HN 0.430 nan 8.370 nan 0.000 0.518 94 N N 0.276 119.104 118.700 0.214 0.000 2.735 94 N HA -0.277 4.463 4.740 -0.000 0.000 0.248 94 N C -0.649 175.001 175.510 0.234 0.000 1.083 94 N CA -0.198 52.956 53.050 0.173 0.000 0.703 94 N CB -1.066 37.490 38.487 0.116 0.000 1.005 94 N HN 0.194 nan 8.380 nan 0.000 0.550 95 Y N 1.527 121.945 120.300 0.197 0.000 2.610 95 Y HA 0.072 4.622 4.550 -0.000 0.000 0.332 95 Y C 0.343 176.349 175.900 0.176 0.000 1.201 95 Y CA 0.208 58.452 58.100 0.240 0.000 1.465 95 Y CB 0.500 39.225 38.460 0.442 0.000 1.283 95 Y HN 0.130 nan 8.280 nan 0.000 0.563 96 D N 5.849 126.042 120.400 -0.344 0.000 2.380 96 D HA 0.137 4.777 4.640 -0.000 0.000 0.230 96 D C 0.233 176.338 176.300 -0.325 0.000 1.154 96 D CA 0.077 53.916 54.000 -0.268 0.000 0.859 96 D CB 0.480 41.123 40.800 -0.263 0.000 1.045 96 D HN 0.734 nan 8.370 nan 0.000 0.495 97 L N 2.587 123.791 121.223 -0.032 0.000 2.509 97 L HA -0.019 4.321 4.340 -0.000 0.000 0.222 97 L C 2.113 179.016 176.870 0.056 0.000 1.123 97 L CA 0.291 55.232 54.840 0.169 0.000 0.856 97 L CB -0.155 42.073 42.059 0.282 0.000 0.985 97 L HN 0.385 nan 8.230 nan 0.000 0.456 98 S N -0.428 115.225 115.700 -0.078 0.000 2.555 98 S HA -0.081 4.389 4.470 -0.000 0.000 0.230 98 S C 1.645 176.110 174.600 -0.224 0.000 0.978 98 S CA 0.675 58.815 58.200 -0.100 0.000 0.934 98 S CB -0.595 62.550 63.200 -0.091 0.000 0.766 98 S HN 0.337 nan 8.310 nan 0.000 0.533 99 V N -2.513 117.147 119.914 -0.424 0.000 3.573 99 V HA 0.412 4.532 4.120 -0.000 0.000 0.270 99 V C 0.056 175.710 176.094 -0.733 0.000 1.221 99 V CA -0.291 61.651 62.300 -0.596 0.000 1.163 99 V CB -1.518 29.869 31.823 -0.727 0.000 0.847 99 V HN 0.299 nan 8.190 nan 0.000 0.468 100 F N -0.844 119.028 119.950 -0.130 0.000 2.523 100 F HA 0.685 5.212 4.527 -0.000 0.000 0.329 100 F C 0.032 175.744 175.800 -0.147 0.000 1.061 100 F CA -2.141 55.799 58.000 -0.101 0.000 0.967 100 F CB 0.947 39.963 39.000 0.026 0.000 1.218 100 F HN -0.184 nan 8.300 nan 0.000 0.480 101 F N 2.370 122.456 119.950 0.227 0.000 2.506 101 F HA 0.088 4.615 4.527 -0.000 0.000 0.369 101 F C 1.614 177.487 175.800 0.121 0.000 1.114 101 F CA -0.052 58.027 58.000 0.132 0.000 1.121 101 F CB 0.419 39.479 39.000 0.100 0.000 1.104 101 F HN 0.432 nan 8.300 nan 0.000 0.564 102 Q N 1.403 121.330 119.800 0.212 0.000 2.170 102 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 102 Q C 2.205 178.288 176.000 0.138 0.000 0.976 102 Q CA 1.334 57.230 55.803 0.154 0.000 0.858 102 Q CB -0.475 28.323 28.738 0.101 0.000 0.907 102 Q HN 0.639 nan 8.270 nan 0.000 0.433 103 S N 0.697 116.490 115.700 0.155 0.000 2.359 103 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 103 S C 2.020 176.667 174.600 0.078 0.000 1.035 103 S CA 1.286 59.546 58.200 0.100 0.000 1.018 103 S CB -0.419 62.838 63.200 0.094 0.000 0.876 103 S HN 0.283 nan 8.310 nan 0.000 0.448 104 V N 1.782 121.761 119.914 0.109 0.000 2.427 104 V HA -0.090 4.030 4.120 -0.000 0.000 0.248 104 V C 1.813 177.967 176.094 0.101 0.000 1.051 104 V CA 1.390 63.743 62.300 0.089 0.000 1.048 104 V CB -0.404 31.485 31.823 0.110 0.000 0.666 104 V HN 0.469 nan 8.190 nan 0.000 0.456 105 I N 0.435 121.075 120.570 0.117 0.000 2.179 105 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 105 I C 2.230 178.384 176.117 0.063 0.000 1.088 105 I CA 2.345 63.704 61.300 0.098 0.000 1.357 105 I CB -0.601 37.464 38.000 0.109 0.000 1.051 105 I HN 0.433 nan 8.210 nan 0.000 0.409 106 N N 0.467 119.200 118.700 0.055 0.000 2.149 106 N HA -0.186 4.553 4.740 -0.000 0.000 0.188 106 N C 1.851 177.360 175.510 -0.001 0.000 1.019 106 N CA 0.736 53.803 53.050 0.028 0.000 0.857 106 N CB 0.060 38.563 38.487 0.027 0.000 0.997 106 N HN 0.241 nan 8.380 nan 0.000 0.426 107 L N 0.194 121.411 121.223 -0.010 0.000 2.095 107 L HA 0.098 4.438 4.340 -0.000 0.000 0.204 107 L C 1.612 178.434 176.870 -0.078 0.000 1.080 107 L CA 1.605 56.414 54.840 -0.051 0.000 0.759 107 L CB -0.573 41.453 42.059 -0.055 0.000 0.914 107 L HN 0.100 nan 8.230 nan 0.000 0.439 108 A N -2.227 120.548 122.820 -0.075 0.000 2.242 108 A HA 0.102 4.422 4.320 -0.000 0.000 0.205 108 A C 1.445 178.975 177.584 -0.089 0.000 1.353 108 A CA 0.000 51.953 52.037 -0.140 0.000 1.005 108 A CB 0.125 18.949 19.000 -0.294 0.000 1.127 108 A HN 0.338 nan 8.150 nan 0.000 0.498 109 D N 0.479 120.882 120.400 0.004 0.000 2.354 109 D HA 0.102 4.742 4.640 -0.000 0.000 0.209 109 D C 0.244 176.617 176.300 0.121 0.000 1.015 109 D CA 0.654 54.697 54.000 0.072 0.000 0.867 109 D CB 0.509 41.375 40.800 0.110 0.000 0.933 109 D HN 0.387 nan 8.370 nan 0.000 0.520 110 K N 0.657 121.114 120.400 0.095 0.000 2.208 110 K HA 0.466 4.786 4.320 -0.000 0.000 0.247 110 K C -0.332 176.357 176.600 0.149 0.000 0.953 110 K CA -0.583 55.775 56.287 0.118 0.000 0.837 110 K CB 2.489 35.023 32.500 0.057 0.000 1.131 110 K HN -0.192 nan 8.250 nan 0.000 0.431 111 Q N 0.133 120.062 119.800 0.217 0.000 2.364 111 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 111 Q C -0.482 175.633 176.000 0.192 0.000 0.956 111 Q CA 0.044 55.961 55.803 0.189 0.000 0.924 111 Q CB 1.714 30.557 28.738 0.175 0.000 1.413 111 Q HN 0.876 nan 8.270 nan 0.000 0.418 112 G N 2.018 110.879 108.800 0.101 0.000 2.249 112 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.273 112 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.273 112 G C 0.790 175.722 174.900 0.053 0.000 1.036 112 G CA 0.933 46.080 45.100 0.077 0.000 0.824 112 G HN 1.778 nan 8.290 nan 0.000 0.504 113 G N -1.718 107.105 108.800 0.038 0.000 2.184 113 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 113 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 113 G C 0.359 175.243 174.900 -0.027 0.000 0.975 113 G CA 1.322 46.427 45.100 0.009 0.000 0.642 113 G HN 1.074 nan 8.290 nan 0.000 0.536 114 K N -0.548 119.822 120.400 -0.051 0.000 2.156 114 K HA 0.732 5.052 4.320 -0.000 0.000 0.250 114 K C -0.592 175.821 176.600 -0.312 0.000 0.955 114 K CA -1.077 55.074 56.287 -0.226 0.000 0.855 114 K CB 2.258 34.531 32.500 -0.378 0.000 1.101 114 K HN 0.108 nan 8.250 nan 0.000 0.434 115 L N 2.144 123.152 121.223 -0.359 0.000 2.289 115 L HA 0.261 4.601 4.340 -0.000 0.000 0.285 115 L C -0.798 175.830 176.870 -0.403 0.000 1.049 115 L CA 0.262 54.963 54.840 -0.232 0.000 0.804 115 L CB 0.551 42.555 42.059 -0.091 0.000 1.195 115 L HN 0.652 nan 8.230 nan 0.000 0.428 116 Y N 4.015 124.326 120.300 0.018 0.000 2.453 116 Y HA 0.738 5.288 4.550 -0.000 0.000 0.247 116 Y C 0.607 176.517 175.900 0.018 0.000 1.124 116 Y CA 0.271 58.384 58.100 0.021 0.000 1.243 116 Y CB 0.579 39.062 38.460 0.039 0.000 1.213 116 Y HN 0.706 nan 8.280 nan 0.000 0.523 117 A N -0.190 122.707 122.820 0.129 0.000 2.566 117 A HA 0.725 5.044 4.320 -0.000 0.000 0.290 117 A C -2.130 175.475 177.584 0.035 0.000 1.071 117 A CA -0.649 51.438 52.037 0.083 0.000 0.658 117 A CB 0.811 19.875 19.000 0.105 0.000 1.285 117 A HN 0.044 nan 8.150 nan 0.000 0.427 118 L N 1.144 122.340 121.223 -0.045 0.000 2.370 118 L HA 0.586 4.926 4.340 -0.000 0.000 0.266 118 L C -2.430 174.225 176.870 -0.358 0.000 1.002 118 L CA -2.219 52.473 54.840 -0.246 0.000 0.818 118 L CB 3.041 44.858 42.059 -0.405 0.000 1.325 118 L HN 0.525 nan 8.230 nan 0.000 0.418 119 P HA 0.068 nan 4.420 nan 0.000 0.276 119 P C 0.385 177.488 177.300 -0.328 0.000 1.253 119 P CA -0.175 62.432 63.100 -0.823 0.000 0.766 119 P CB 1.699 33.028 31.700 -0.619 0.000 0.845 120 V N 3.897 123.675 119.914 -0.226 0.000 2.379 120 V HA -0.060 4.060 4.120 -0.000 0.000 0.243 120 V C 0.715 176.919 176.094 0.184 0.000 1.035 120 V CA 1.647 64.005 62.300 0.097 0.000 1.035 120 V CB -1.103 30.866 31.823 0.242 0.000 0.673 120 V HN 0.621 nan 8.190 nan 0.000 0.457 121 Y N -2.657 117.520 120.300 -0.205 0.000 2.571 121 Y HA 0.746 5.296 4.550 -0.000 0.000 0.341 121 Y C -1.101 174.676 175.900 -0.204 0.000 1.076 121 Y CA -2.136 55.841 58.100 -0.204 0.000 1.029 121 Y CB 0.977 39.190 38.460 -0.413 0.000 1.308 121 Y HN -0.082 nan 8.280 nan 0.000 0.461 122 I N 3.795 124.361 120.570 -0.008 0.000 2.359 122 I HA 0.254 4.424 4.170 -0.000 0.000 0.284 122 I C -0.891 175.285 176.117 0.097 0.000 1.018 122 I CA -0.470 60.798 61.300 -0.053 0.000 1.173 122 I CB 0.866 38.809 38.000 -0.094 0.000 1.326 122 I HN 0.587 nan 8.210 nan 0.000 0.462 123 D N 5.311 125.762 120.400 0.085 0.000 2.283 123 D HA 0.700 5.340 4.640 -0.000 0.000 0.248 123 D C -0.320 176.256 176.300 0.460 0.000 1.072 123 D CA 0.093 54.285 54.000 0.319 0.000 0.929 123 D CB 2.081 42.907 40.800 0.044 0.000 1.182 123 D HN 0.607 nan 8.370 nan 0.000 0.433 124 A N 0.577 123.782 122.820 0.642 0.000 2.547 124 A HA 0.651 4.971 4.320 -0.000 0.000 0.297 124 A C 0.098 177.801 177.584 0.198 0.000 1.056 124 A CA -0.614 51.622 52.037 0.331 0.000 0.688 124 A CB 1.443 20.415 19.000 -0.047 0.000 1.282 124 A HN 0.465 nan 8.150 nan 0.000 0.400 125 G N 0.384 109.135 108.800 -0.080 0.000 2.380 125 G HA2 0.498 4.458 3.960 -0.000 0.000 0.242 125 G HA3 0.498 4.458 3.960 -0.000 0.000 0.242 125 G C -0.405 174.365 174.900 -0.216 0.000 1.298 125 G CA 0.132 45.051 45.100 -0.302 0.000 0.878 125 G HN 0.744 nan 8.290 nan 0.000 0.542 126 L N 0.965 122.086 121.223 -0.170 0.000 2.371 126 L HA 0.460 4.800 4.340 -0.000 0.000 0.262 126 L C -0.757 176.008 176.870 -0.174 0.000 1.006 126 L CA -1.159 53.541 54.840 -0.234 0.000 0.818 126 L CB 2.325 44.182 42.059 -0.336 0.000 1.354 126 L HN 0.413 nan 8.230 nan 0.000 0.415 127 L N 1.671 122.765 121.223 -0.216 0.000 2.265 127 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 127 L C -1.251 175.589 176.870 -0.050 0.000 1.033 127 L CA 0.175 54.986 54.840 -0.047 0.000 0.814 127 L CB 0.456 42.458 42.059 -0.094 0.000 1.203 127 L HN 0.242 nan 8.230 nan 0.000 0.423 128 Y N 5.432 125.784 120.300 0.087 0.000 2.342 128 Y HA 0.574 5.124 4.550 -0.000 0.000 0.334 128 Y C -0.492 175.511 175.900 0.171 0.000 1.067 128 Y CA -0.123 57.960 58.100 -0.028 0.000 1.128 128 Y CB 1.357 39.600 38.460 -0.361 0.000 1.200 128 Y HN 0.610 nan 8.280 nan 0.000 0.464 129 Y N -0.562 119.929 120.300 0.318 0.000 2.588 129 Y HA 0.662 5.212 4.550 -0.000 0.000 0.343 129 Y C -0.849 175.261 175.900 0.350 0.000 1.065 129 Y CA -1.824 56.459 58.100 0.305 0.000 1.038 129 Y CB 1.148 39.718 38.460 0.185 0.000 1.297 129 Y HN 0.307 nan 8.280 nan 0.000 0.467 130 R N 2.932 123.606 120.500 0.291 0.000 2.325 130 R HA 0.175 4.515 4.340 -0.000 0.000 0.323 130 R C 0.293 176.708 176.300 0.192 0.000 1.177 130 R CA -0.111 56.069 56.100 0.133 0.000 1.018 130 R CB 0.676 30.980 30.300 0.007 0.000 1.070 130 R HN 0.921 nan 8.270 nan 0.000 0.495 131 K N 1.157 121.650 120.400 0.155 0.000 2.074 131 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 131 K C 1.399 178.112 176.600 0.189 0.000 1.048 131 K CA 2.051 58.487 56.287 0.248 0.000 0.926 131 K CB 0.116 32.704 32.500 0.146 0.000 0.713 131 K HN 0.561 nan 8.250 nan 0.000 0.444 132 D N 1.321 121.793 120.400 0.120 0.000 2.117 132 D HA -0.205 4.434 4.640 -0.000 0.000 0.197 132 D C 1.906 178.279 176.300 0.122 0.000 0.987 132 D CA 1.214 55.271 54.000 0.095 0.000 0.829 132 D CB -0.480 40.352 40.800 0.053 0.000 0.961 132 D HN 0.229 nan 8.370 nan 0.000 0.460 133 L N -0.090 121.217 121.223 0.141 0.000 2.109 133 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 133 L C 2.894 179.948 176.870 0.307 0.000 1.086 133 L CA 0.489 55.456 54.840 0.211 0.000 0.760 133 L CB -0.355 41.786 42.059 0.137 0.000 0.910 133 L HN 0.016 nan 8.230 nan 0.000 0.437 134 L N -0.125 121.249 121.223 0.253 0.000 2.046 134 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 134 L C 2.648 179.699 176.870 0.302 0.000 1.077 134 L CA 1.446 56.489 54.840 0.338 0.000 0.747 134 L CB -0.465 41.761 42.059 0.277 0.000 0.896 134 L HN 0.382 nan 8.230 nan 0.000 0.432 135 E N 0.900 121.224 120.200 0.207 0.000 2.051 135 E HA -0.303 4.047 4.350 -0.000 0.000 0.192 135 E C 2.235 178.873 176.600 0.064 0.000 0.991 135 E CA 1.492 57.966 56.400 0.123 0.000 0.799 135 E CB 0.021 29.781 29.700 0.100 0.000 0.748 135 E HN 0.297 nan 8.360 nan 0.000 0.449 136 K N -0.460 119.983 120.400 0.071 0.000 2.063 136 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 136 K C 0.957 177.431 176.600 -0.211 0.000 1.048 136 K CA 1.465 57.711 56.287 -0.069 0.000 0.928 136 K CB -0.149 32.310 32.500 -0.068 0.000 0.713 136 K HN 0.225 nan 8.250 nan 0.000 0.442 137 Y N 0.077 120.358 120.300 -0.032 0.000 2.537 137 Y HA 0.235 4.785 4.550 -0.000 0.000 0.303 137 Y C 0.997 176.670 175.900 -0.378 0.000 1.176 137 Y CA 0.272 58.300 58.100 -0.120 0.000 1.273 137 Y CB 0.582 39.047 38.460 0.008 0.000 1.110 137 Y HN 0.344 nan 8.280 nan 0.000 0.518 138 G N -0.621 108.063 108.800 -0.192 0.000 2.160 138 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.251 138 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.251 138 G C -0.604 174.104 174.900 -0.320 0.000 1.008 138 G CA -0.290 44.650 45.100 -0.268 0.000 0.724 138 G HN 0.313 nan 8.290 nan 0.000 0.514 139 Y N 0.562 120.913 120.300 0.084 0.000 2.328 139 Y HA 0.513 5.063 4.550 -0.000 0.000 0.337 139 Y C 1.444 177.375 175.900 0.052 0.000 0.966 139 Y CA -0.722 57.416 58.100 0.063 0.000 1.136 139 Y CB 1.916 40.423 38.460 0.078 0.000 1.170 139 Y HN 0.228 nan 8.280 nan 0.000 0.470 140 S N 1.326 117.130 115.700 0.173 0.000 2.478 140 S HA 0.233 4.703 4.470 -0.000 0.000 0.222 140 S C 0.167 174.820 174.600 0.089 0.000 1.008 140 S CA 0.090 58.355 58.200 0.110 0.000 0.928 140 S CB 0.100 63.342 63.200 0.071 0.000 0.781 140 S HN 0.560 nan 8.310 nan 0.000 0.518 141 K N 1.516 121.952 120.400 0.060 0.000 2.482 141 K HA 0.554 4.873 4.320 -0.000 0.000 0.257 141 K C -3.095 173.419 176.600 -0.144 0.000 0.969 141 K CA -2.469 53.803 56.287 -0.025 0.000 0.842 141 K CB 1.495 33.974 32.500 -0.034 0.000 1.359 141 K HN -0.006 nan 8.250 nan 0.000 0.441 142 P HA 0.106 nan 4.420 nan 0.000 0.272 142 P C -2.564 174.523 177.300 -0.355 0.000 1.240 142 P CA -1.070 61.718 63.100 -0.520 0.000 0.791 142 P CB -0.381 30.834 31.700 -0.808 0.000 0.978 143 P HA 0.155 nan 4.420 nan 0.000 0.271 143 P C 0.191 177.198 177.300 -0.488 0.000 1.216 143 P CA 0.175 63.005 63.100 -0.449 0.000 0.776 143 P CB 1.230 32.576 31.700 -0.590 0.000 0.881 144 E N 0.623 120.555 120.200 -0.447 0.000 2.166 144 E HA 0.017 4.366 4.350 -0.000 0.000 0.192 144 E C 0.668 176.752 176.600 -0.861 0.000 0.967 144 E CA 0.767 56.864 56.400 -0.506 0.000 0.840 144 E CB 0.164 29.681 29.700 -0.305 0.000 0.795 144 E HN 0.611 nan 8.360 nan 0.000 0.470 145 T N -3.400 110.721 114.554 -0.721 0.000 2.940 145 T HA 0.171 4.521 4.350 -0.000 0.000 0.288 145 T C 0.203 174.497 174.700 -0.677 0.000 1.033 145 T CA -0.821 60.815 62.100 -0.774 0.000 1.033 145 T CB 0.998 69.614 68.868 -0.421 0.000 1.079 145 T HN 0.119 nan 8.240 nan 0.000 0.496 146 W N 0.546 121.450 121.300 -0.661 0.000 2.374 146 W HA -0.037 4.623 4.660 -0.000 0.000 0.288 146 W C 2.554 178.881 176.519 -0.320 0.000 1.218 146 W CA 0.540 57.514 57.345 -0.618 0.000 1.245 146 W CB -0.314 28.440 29.460 -1.176 0.000 1.126 146 W HN 0.705 nan 8.180 nan 0.000 0.545 147 Q N 0.238 120.012 119.800 -0.043 0.000 2.119 147 Q HA -0.166 4.174 4.340 -0.000 0.000 0.201 147 Q C 1.792 177.730 176.000 -0.102 0.000 0.972 147 Q CA 1.646 57.447 55.803 -0.003 0.000 0.847 147 Q CB -0.408 28.348 28.738 0.029 0.000 0.903 147 Q HN 0.383 nan 8.270 nan 0.000 0.433 148 E N 0.240 120.328 120.200 -0.188 0.000 2.106 148 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 148 E C 1.906 178.315 176.600 -0.317 0.000 0.984 148 E CA 0.660 56.920 56.400 -0.233 0.000 0.806 148 E CB -0.135 29.403 29.700 -0.270 0.000 0.750 148 E HN 0.311 nan 8.360 nan 0.000 0.458 149 L N 0.865 121.846 121.223 -0.404 0.000 2.046 149 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 149 L C 2.286 178.943 176.870 -0.354 0.000 1.077 149 L CA 0.967 55.445 54.840 -0.603 0.000 0.747 149 L CB -0.067 41.534 42.059 -0.764 0.000 0.896 149 L HN -0.024 nan 8.230 nan 0.000 0.432 150 V N 0.275 120.089 119.914 -0.167 0.000 2.287 150 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 150 V C 2.517 178.570 176.094 -0.069 0.000 1.053 150 V CA 2.230 64.472 62.300 -0.096 0.000 1.027 150 V CB -0.734 30.946 31.823 -0.238 0.000 0.646 150 V HN 0.618 nan 8.190 nan 0.000 0.447 151 E N -0.109 120.033 120.200 -0.097 0.000 2.038 151 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 151 E C 2.264 178.852 176.600 -0.019 0.000 1.000 151 E CA 1.985 58.362 56.400 -0.037 0.000 0.803 151 E CB -0.187 29.491 29.700 -0.038 0.000 0.750 151 E HN 0.560 nan 8.360 nan 0.000 0.448 152 M N 0.395 119.888 119.600 -0.178 0.000 2.086 152 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 152 M C 2.561 178.931 176.300 0.115 0.000 1.067 152 M CA 1.546 56.688 55.300 -0.262 0.000 1.116 152 M CB -0.316 32.004 32.600 -0.467 0.000 1.348 152 M HN 0.238 nan 8.290 nan 0.000 0.407 153 A N 0.292 123.264 122.820 0.254 0.000 1.917 153 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 153 A C 2.028 179.756 177.584 0.241 0.000 1.182 153 A CA 1.787 54.053 52.037 0.382 0.000 0.633 153 A CB -0.759 18.477 19.000 0.393 0.000 0.819 153 A HN 0.621 nan 8.150 nan 0.000 0.448 154 Q N -0.924 118.976 119.800 0.167 0.000 2.083 154 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 154 Q C 2.207 178.255 176.000 0.079 0.000 0.969 154 Q CA 1.469 57.354 55.803 0.137 0.000 0.838 154 Q CB -0.195 28.621 28.738 0.130 0.000 0.900 154 Q HN 0.749 nan 8.270 nan 0.000 0.436 155 K N 1.194 121.646 120.400 0.087 0.000 2.057 155 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 155 K C 1.971 178.439 176.600 -0.220 0.000 1.049 155 K CA 1.007 57.332 56.287 0.064 0.000 0.931 155 K CB -0.016 32.624 32.500 0.233 0.000 0.714 155 K HN 0.122 nan 8.250 nan 0.000 0.440 156 I N 0.835 121.179 120.570 -0.378 0.000 2.315 156 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 156 I C 2.779 178.555 176.117 -0.568 0.000 1.117 156 I CA 1.138 61.883 61.300 -0.926 0.000 1.404 156 I CB -0.304 37.423 38.000 -0.455 0.000 1.071 156 I HN 0.398 nan 8.210 nan 0.000 0.419 157 Q N 0.843 120.561 119.800 -0.137 0.000 2.020 157 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 157 Q C 2.372 178.304 176.000 -0.113 0.000 0.982 157 Q CA 2.247 58.054 55.803 0.006 0.000 0.838 157 Q CB 0.062 28.911 28.738 0.185 0.000 0.899 157 Q HN 0.395 nan 8.270 nan 0.000 0.423 158 S N -0.048 115.613 115.700 -0.064 0.000 2.370 158 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 158 S C 1.761 176.340 174.600 -0.036 0.000 1.033 158 S CA 1.143 59.324 58.200 -0.032 0.000 1.011 158 S CB -0.617 62.593 63.200 0.018 0.000 0.852 158 S HN 0.679 nan 8.310 nan 0.000 0.457 159 G N 1.486 110.270 108.800 -0.026 0.000 2.402 159 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 159 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 159 G C 1.311 176.210 174.900 -0.002 0.000 1.162 159 G CA 0.450 45.626 45.100 0.127 0.000 0.777 159 G HN 0.362 nan 8.290 nan 0.000 0.539 160 E N 0.598 120.657 120.200 -0.235 0.000 2.208 160 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 160 E C 2.557 179.011 176.600 -0.244 0.000 0.988 160 E CA 0.220 56.386 56.400 -0.391 0.000 0.828 160 E CB -0.171 28.839 29.700 -1.149 0.000 0.763 160 E HN 0.387 nan 8.360 nan 0.000 0.478 161 R N 0.761 121.154 120.500 -0.179 0.000 2.280 161 R HA -0.042 4.298 4.340 -0.000 0.000 0.207 161 R C 1.889 178.152 176.300 -0.063 0.000 1.043 161 R CA 0.474 56.516 56.100 -0.096 0.000 1.006 161 R CB -0.020 30.223 30.300 -0.095 0.000 0.885 161 R HN 0.296 nan 8.270 nan 0.000 0.467 162 E N -0.302 119.865 120.200 -0.055 0.000 2.153 162 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 162 E C 1.488 178.070 176.600 -0.031 0.000 0.988 162 E CA 1.783 58.163 56.400 -0.033 0.000 0.811 162 E CB 0.100 29.787 29.700 -0.022 0.000 0.746 162 E HN 0.408 nan 8.360 nan 0.000 0.466 163 T N -2.808 111.722 114.554 -0.040 0.000 3.004 163 T HA 0.088 4.438 4.350 -0.000 0.000 0.266 163 T C 0.433 175.120 174.700 -0.021 0.000 0.986 163 T CA -0.436 61.647 62.100 -0.028 0.000 0.902 163 T CB 0.328 69.179 68.868 -0.029 0.000 1.118 163 T HN -0.153 nan 8.240 nan 0.000 0.522 164 N N 2.416 121.099 118.700 -0.029 0.000 2.664 164 N HA 0.359 5.099 4.740 -0.000 0.000 0.257 164 N C -2.322 173.191 175.510 0.006 0.000 1.108 164 N CA -2.247 50.807 53.050 0.008 0.000 0.822 164 N CB 2.267 40.784 38.487 0.051 0.000 1.199 164 N HN 0.002 nan 8.380 nan 0.000 0.529 165 P HA 0.013 nan 4.420 nan 0.000 0.233 165 P C 0.074 177.339 177.300 -0.058 0.000 1.167 165 P CA 0.711 63.787 63.100 -0.039 0.000 0.770 165 P CB 0.573 32.261 31.700 -0.020 0.000 0.837 166 N N -0.838 117.868 118.700 0.011 0.000 2.336 166 N HA 0.029 4.769 4.740 -0.000 0.000 0.189 166 N C 0.138 175.670 175.510 0.037 0.000 1.113 166 N CA -0.147 52.934 53.050 0.051 0.000 0.858 166 N CB -0.097 38.449 38.487 0.100 0.000 0.970 166 N HN 0.173 nan 8.380 nan 0.000 0.471 167 F N 0.914 120.763 119.950 -0.168 0.000 2.443 167 F HA 0.206 4.732 4.527 -0.000 0.000 0.353 167 F C -0.455 175.153 175.800 -0.319 0.000 1.101 167 F CA -0.495 57.428 58.000 -0.128 0.000 1.226 167 F CB 0.429 39.367 39.000 -0.103 0.000 1.140 167 F HN -0.096 nan 8.300 nan 0.000 0.557 168 W N 4.286 125.372 121.300 -0.357 0.000 2.785 168 W HA 0.442 5.102 4.660 -0.000 0.000 0.333 168 W C 0.878 177.316 176.519 -0.134 0.000 1.062 168 W CA -0.692 56.599 57.345 -0.090 0.000 1.233 168 W CB 1.940 31.365 29.460 -0.058 0.000 1.413 168 W HN 0.666 nan 8.180 nan 0.000 0.489 169 G N 1.417 110.485 108.800 0.446 0.000 2.432 169 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 169 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 169 G C -0.405 174.900 174.900 0.675 0.000 1.135 169 G CA 0.966 46.375 45.100 0.515 0.000 0.767 169 G HN 0.295 nan 8.290 nan 0.000 0.550 170 F N 0.947 121.168 119.950 0.451 0.000 2.689 170 F HA 0.484 5.010 4.527 -0.000 0.000 0.332 170 F C -0.716 175.343 175.800 0.433 0.000 1.209 170 F CA -2.235 56.066 58.000 0.501 0.000 1.028 170 F CB 1.412 40.723 39.000 0.517 0.000 1.291 170 F HN 0.071 nan 8.300 nan 0.000 0.500 171 V N 4.898 124.986 119.914 0.291 0.000 2.513 171 V HA 0.820 4.940 4.120 -0.000 0.000 0.299 171 V C -1.087 174.971 176.094 -0.060 0.000 1.035 171 V CA -0.542 61.727 62.300 -0.052 0.000 0.889 171 V CB 1.579 33.420 31.823 0.030 0.000 0.988 171 V HN 0.856 nan 8.190 nan 0.000 0.440 172 W N 1.970 123.083 121.300 -0.310 0.000 2.959 172 W HA 0.610 5.270 4.660 -0.000 0.000 0.358 172 W C -1.655 174.831 176.519 -0.054 0.000 1.228 172 W CA -1.008 56.222 57.345 -0.192 0.000 1.183 172 W CB 1.365 30.635 29.460 -0.317 0.000 1.467 172 W HN 0.485 nan 8.180 nan 0.000 0.578 173 Q N 1.279 121.284 119.800 0.342 0.000 2.323 173 Q HA 0.472 4.812 4.340 -0.000 0.000 0.257 173 Q C 0.757 176.971 176.000 0.357 0.000 1.022 173 Q CA 0.594 56.581 55.803 0.307 0.000 0.919 173 Q CB 1.116 30.134 28.738 0.466 0.000 1.220 173 Q HN 0.709 nan 8.270 nan 0.000 0.427 174 G N 2.220 111.057 108.800 0.062 0.000 3.342 174 G HA2 0.016 3.976 3.960 -0.000 0.000 0.252 174 G HA3 0.016 3.976 3.960 -0.000 0.000 0.252 174 G C 0.225 175.216 174.900 0.151 0.000 1.011 174 G CA -0.326 44.824 45.100 0.082 0.000 0.869 174 G HN 0.425 nan 8.290 nan 0.000 0.514 175 K N 0.800 121.300 120.400 0.167 0.000 2.397 175 K HA 0.061 4.381 4.320 -0.000 0.000 0.265 175 K C 0.285 177.074 176.600 0.315 0.000 0.982 175 K CA -0.247 56.129 56.287 0.148 0.000 0.931 175 K CB 0.401 32.880 32.500 -0.036 0.000 0.943 175 K HN 0.136 nan 8.250 nan 0.000 0.501 176 Q N 3.283 123.206 119.800 0.205 0.000 2.664 176 Q HA 0.070 4.410 4.340 -0.000 0.000 0.223 176 Q C -1.570 174.601 176.000 0.284 0.000 1.298 176 Q CA -0.243 55.674 55.803 0.189 0.000 0.965 176 Q CB -0.074 28.714 28.738 0.083 0.000 1.510 176 Q HN 0.496 nan 8.270 nan 0.000 0.567 177 Y N -0.729 119.617 120.300 0.076 0.000 2.853 177 Y HA 0.314 4.864 4.550 -0.000 0.000 0.326 177 Y C 0.339 176.325 175.900 0.143 0.000 1.384 177 Y CA -1.225 56.932 58.100 0.095 0.000 1.077 177 Y CB 0.512 39.034 38.460 0.103 0.000 1.395 177 Y HN 0.178 nan 8.280 nan 0.000 0.451 178 E N 0.896 120.953 120.200 -0.238 0.000 2.130 178 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 178 E C 2.106 178.450 176.600 -0.426 0.000 0.998 178 E CA 2.644 58.918 56.400 -0.210 0.000 0.806 178 E CB -0.834 28.892 29.700 0.044 0.000 0.738 178 E HN 0.986 nan 8.360 nan 0.000 0.459 179 G N 0.530 108.571 108.800 -1.266 0.000 2.450 179 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 179 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 179 G C 1.477 176.298 174.900 -0.131 0.000 1.130 179 G CA 0.994 45.743 45.100 -0.586 0.000 0.760 179 G HN 0.381 nan 8.290 nan 0.000 0.557 180 L N 0.890 122.010 121.223 -0.172 0.000 2.093 180 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 180 L C 2.795 179.799 176.870 0.225 0.000 1.085 180 L CA 1.315 56.256 54.840 0.169 0.000 0.755 180 L CB -0.439 41.732 42.059 0.187 0.000 0.904 180 L HN 0.069 nan 8.230 nan 0.000 0.435 181 V N -1.135 118.879 119.914 0.165 0.000 2.407 181 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 181 V C 2.618 178.908 176.094 0.325 0.000 1.055 181 V CA 1.763 64.235 62.300 0.288 0.000 1.049 181 V CB -0.981 30.997 31.823 0.259 0.000 0.662 181 V HN 0.624 nan 8.190 nan 0.000 0.455 182 C N 0.226 119.681 119.300 0.259 0.000 2.453 182 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 182 C C 2.509 177.609 174.990 0.183 0.000 1.262 182 C CA 0.954 60.120 59.018 0.248 0.000 1.718 182 C CB -1.030 26.937 27.740 0.379 0.000 2.031 182 C HN 0.600 nan 8.230 nan 0.000 0.480 183 D N 0.248 120.782 120.400 0.224 0.000 2.097 183 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 183 D C 1.792 178.301 176.300 0.347 0.000 0.989 183 D CA 1.021 55.160 54.000 0.232 0.000 0.827 183 D CB -0.416 40.612 40.800 0.381 0.000 0.966 183 D HN 0.410 nan 8.370 nan 0.000 0.456 184 F N 1.260 121.362 119.950 0.254 0.000 2.091 184 F HA -0.232 4.294 4.527 -0.000 0.000 0.299 184 F C 2.132 178.094 175.800 0.270 0.000 1.103 184 F CA 0.949 59.112 58.000 0.271 0.000 1.228 184 F CB -0.653 38.474 39.000 0.212 0.000 0.984 184 F HN -0.166 nan 8.300 nan 0.000 0.477 185 V N 0.499 120.510 119.914 0.161 0.000 2.380 185 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 185 V C 2.275 178.444 176.094 0.126 0.000 1.063 185 V CA 2.407 64.770 62.300 0.105 0.000 1.055 185 V CB -0.748 31.147 31.823 0.120 0.000 0.657 185 V HN 0.387 nan 8.190 nan 0.000 0.455 186 E N -1.226 118.998 120.200 0.040 0.000 2.072 186 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 186 E C 2.131 178.722 176.600 -0.015 0.000 0.985 186 E CA 1.522 57.907 56.400 -0.026 0.000 0.801 186 E CB -0.226 29.389 29.700 -0.143 0.000 0.750 186 E HN 0.718 nan 8.360 nan 0.000 0.452 187 Y N 0.098 120.412 120.300 0.023 0.000 2.242 187 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 187 Y C 2.281 178.207 175.900 0.043 0.000 1.137 187 Y CA 0.610 58.704 58.100 -0.010 0.000 1.181 187 Y CB -0.495 37.895 38.460 -0.117 0.000 0.989 187 Y HN -0.103 nan 8.280 nan 0.000 0.527 188 V N -1.025 118.885 119.914 -0.008 0.000 2.237 188 V HA -0.333 3.787 4.120 -0.000 0.000 0.245 188 V C 1.840 177.832 176.094 -0.170 0.000 1.046 188 V CA 2.020 64.195 62.300 -0.207 0.000 1.007 188 V CB -0.825 30.705 31.823 -0.489 0.000 0.638 188 V HN 0.355 nan 8.190 nan 0.000 0.445 189 Y N 1.014 121.274 120.300 -0.066 0.000 2.352 189 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 189 Y C 2.691 178.598 175.900 0.011 0.000 1.136 189 Y CA 1.279 59.359 58.100 -0.032 0.000 1.227 189 Y CB -0.605 37.840 38.460 -0.024 0.000 0.991 189 Y HN 0.416 nan 8.280 nan 0.000 0.545 190 S N -0.909 114.920 115.700 0.214 0.000 2.607 190 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 190 S C 1.175 175.982 174.600 0.345 0.000 0.969 190 S CA 0.803 59.157 58.200 0.257 0.000 0.927 190 S CB -0.388 62.987 63.200 0.292 0.000 0.772 190 S HN 0.403 nan 8.310 nan 0.000 0.533 191 N N 0.518 119.292 118.700 0.124 0.000 2.197 191 N HA 0.279 5.019 4.740 -0.000 0.000 0.228 191 N C 0.930 175.914 175.510 -0.877 0.000 1.212 191 N CA 0.513 53.430 53.050 -0.221 0.000 0.883 191 N CB 0.452 38.828 38.487 -0.184 0.000 1.107 191 N HN 0.434 nan 8.380 nan 0.000 0.519 192 G N -0.886 107.559 108.800 -0.591 0.000 2.148 192 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.254 192 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.254 192 G C 0.514 175.242 174.900 -0.287 0.000 0.981 192 G CA 0.183 45.059 45.100 -0.374 0.000 0.670 192 G HN 0.622 nan 8.290 nan 0.000 0.528 193 G N -1.089 107.497 108.800 -0.355 0.000 2.563 193 G HA2 0.731 4.691 3.960 -0.000 0.000 0.283 193 G HA3 0.731 4.691 3.960 -0.000 0.000 0.283 193 G C -0.008 174.504 174.900 -0.647 0.000 1.309 193 G CA 0.634 45.497 45.100 -0.394 0.000 1.022 193 G HN 1.493 nan 8.290 nan 0.000 0.501 194 S N -1.861 113.501 115.700 -0.565 0.000 2.542 194 S HA 0.255 4.725 4.470 -0.000 0.000 0.276 194 S C 0.592 175.082 174.600 -0.183 0.000 1.148 194 S CA -0.732 57.124 58.200 -0.573 0.000 0.886 194 S CB 1.039 64.102 63.200 -0.228 0.000 1.109 194 S HN 0.424 nan 8.310 nan 0.000 0.458 195 L N 2.844 124.123 121.223 0.093 0.000 2.418 195 L HA 0.421 4.761 4.340 -0.000 0.000 0.218 195 L C 1.345 178.406 176.870 0.318 0.000 1.125 195 L CA 0.773 55.794 54.840 0.301 0.000 0.835 195 L CB -0.422 41.940 42.059 0.506 0.000 0.953 195 L HN 0.889 nan 8.230 nan 0.000 0.454 196 G N 0.157 109.079 108.800 0.202 0.000 2.341 196 G HA2 0.273 4.233 3.960 -0.000 0.000 0.293 196 G HA3 0.273 4.233 3.960 -0.000 0.000 0.293 196 G C -1.801 173.049 174.900 -0.083 0.000 1.298 196 G CA -0.453 44.536 45.100 -0.184 0.000 0.868 196 G HN 0.141 nan 8.290 nan 0.000 0.540 197 E N -1.542 118.432 120.200 -0.377 0.000 2.458 197 E HA 0.765 5.115 4.350 -0.000 0.000 0.278 197 E C -1.655 174.792 176.600 -0.254 0.000 1.004 197 E CA -1.116 55.231 56.400 -0.087 0.000 0.823 197 E CB 1.581 31.294 29.700 0.023 0.000 1.396 197 E HN 0.323 nan 8.360 nan 0.000 0.463 198 F N 0.833 120.813 119.950 0.050 0.000 2.394 198 F HA 0.475 5.001 4.527 -0.000 0.000 0.340 198 F C 0.155 175.967 175.800 0.020 0.000 1.105 198 F CA -0.491 57.550 58.000 0.069 0.000 1.124 198 F CB 1.393 40.471 39.000 0.130 0.000 1.145 198 F HN 0.128 nan 8.300 nan 0.000 0.505 199 K N 2.502 122.992 120.400 0.151 0.000 2.471 199 K HA 0.202 4.522 4.320 -0.000 0.000 0.252 199 K C -0.691 175.972 176.600 0.106 0.000 0.938 199 K CA -0.622 55.717 56.287 0.087 0.000 0.796 199 K CB 1.816 34.321 32.500 0.008 0.000 1.161 199 K HN 0.648 nan 8.250 nan 0.000 0.425 200 D N 1.731 122.187 120.400 0.093 0.000 2.811 200 D HA -0.214 4.425 4.640 -0.000 0.000 0.231 200 D C 0.798 177.167 176.300 0.115 0.000 1.157 200 D CA 1.764 55.814 54.000 0.084 0.000 0.716 200 D CB -0.852 39.984 40.800 0.060 0.000 1.077 200 D HN 1.071 nan 8.370 nan 0.000 0.428 201 G N -1.079 107.820 108.800 0.165 0.000 2.176 201 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 201 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 201 G C 0.253 175.346 174.900 0.322 0.000 0.979 201 G CA 0.786 46.006 45.100 0.199 0.000 0.641 201 G HN 0.413 nan 8.290 nan 0.000 0.530 202 K N -0.859 119.722 120.400 0.300 0.000 2.270 202 K HA 0.557 4.877 4.320 -0.000 0.000 0.255 202 K C -0.419 176.289 176.600 0.178 0.000 0.936 202 K CA -0.925 55.535 56.287 0.290 0.000 0.809 202 K CB 1.112 33.719 32.500 0.178 0.000 1.131 202 K HN 0.221 nan 8.250 nan 0.000 0.427 203 W N 3.598 124.788 121.300 -0.184 0.000 2.210 203 W HA 0.325 4.984 4.660 -0.000 0.000 0.330 203 W C -0.852 175.530 176.519 -0.229 0.000 1.334 203 W CA -0.068 56.887 57.345 -0.650 0.000 1.227 203 W CB 0.570 29.594 29.460 -0.727 0.000 1.178 203 W HN 0.183 nan 8.180 nan 0.000 0.560 204 V N 9.225 128.564 119.914 -0.958 0.000 2.487 204 V HA 0.360 4.480 4.120 -0.000 0.000 0.298 204 V C -1.740 173.570 176.094 -1.306 0.000 1.028 204 V CA -2.090 59.744 62.300 -0.778 0.000 0.860 204 V CB 1.774 33.342 31.823 -0.426 0.000 0.991 204 V HN 0.446 nan 8.190 nan 0.000 0.427 205 P HA 0.243 nan 4.420 nan 0.000 0.275 205 P C -0.053 177.014 177.300 -0.388 0.000 1.227 205 P CA -0.033 62.566 63.100 -0.835 0.000 0.781 205 P CB 1.189 32.712 31.700 -0.294 0.000 0.906 206 T N -0.838 113.577 114.554 -0.233 0.000 3.748 206 T HA 0.170 4.520 4.350 -0.000 0.000 0.281 206 T C 1.062 175.748 174.700 -0.024 0.000 0.977 206 T CA -0.378 61.649 62.100 -0.123 0.000 1.056 206 T CB -0.736 68.052 68.868 -0.133 0.000 1.138 206 T HN -0.088 nan 8.240 nan 0.000 0.498 207 L N 2.130 123.377 121.223 0.040 0.000 2.127 207 L HA 0.028 4.368 4.340 -0.000 0.000 0.211 207 L C 2.041 178.965 176.870 0.091 0.000 1.089 207 L CA 1.489 56.405 54.840 0.127 0.000 0.757 207 L CB -0.623 41.536 42.059 0.165 0.000 0.899 207 L HN 0.666 nan 8.230 nan 0.000 0.434 208 N N -0.519 118.197 118.700 0.026 0.000 2.378 208 N HA -0.011 4.729 4.740 -0.000 0.000 0.243 208 N C -0.134 175.367 175.510 -0.013 0.000 1.137 208 N CA -0.067 52.989 53.050 0.010 0.000 0.862 208 N CB -0.163 38.313 38.487 -0.018 0.000 1.116 208 N HN 0.224 nan 8.380 nan 0.000 0.499 209 K N 0.859 121.244 120.400 -0.025 0.000 2.319 209 K HA 0.093 4.413 4.320 -0.000 0.000 0.265 209 K C -1.500 175.072 176.600 -0.048 0.000 1.000 209 K CA -1.322 54.935 56.287 -0.049 0.000 0.943 209 K CB 0.638 33.093 32.500 -0.075 0.000 0.950 209 K HN -0.093 nan 8.250 nan 0.000 0.485 210 P HA -0.204 nan 4.420 nan 0.000 0.216 210 P C 0.481 177.736 177.300 -0.075 0.000 1.153 210 P CA 1.477 64.546 63.100 -0.052 0.000 0.858 210 P CB 0.261 31.932 31.700 -0.047 0.000 0.789 211 E N -1.020 119.118 120.200 -0.103 0.000 2.110 211 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 211 E C 1.747 178.255 176.600 -0.155 0.000 0.988 211 E CA 1.112 57.418 56.400 -0.157 0.000 0.804 211 E CB -0.915 28.668 29.700 -0.195 0.000 0.745 211 E HN 0.293 nan 8.360 nan 0.000 0.458 212 N N -0.100 118.532 118.700 -0.113 0.000 2.106 212 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 212 N C 1.769 177.301 175.510 0.036 0.000 1.029 212 N CA 1.092 54.104 53.050 -0.064 0.000 0.848 212 N CB -0.536 37.948 38.487 -0.005 0.000 1.007 212 N HN 0.014 nan 8.380 nan 0.000 0.423 213 V N 1.520 121.448 119.914 0.025 0.000 2.332 213 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 213 V C 1.962 178.060 176.094 0.007 0.000 1.055 213 V CA 1.643 63.965 62.300 0.036 0.000 1.038 213 V CB -0.584 31.242 31.823 0.005 0.000 0.651 213 V HN 0.349 nan 8.190 nan 0.000 0.450 214 E N 0.316 120.484 120.200 -0.054 0.000 2.110 214 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 214 E C 2.330 178.854 176.600 -0.126 0.000 0.988 214 E CA 1.314 57.650 56.400 -0.106 0.000 0.804 214 E CB -0.360 29.230 29.700 -0.185 0.000 0.745 214 E HN 0.621 nan 8.360 nan 0.000 0.458 215 A N 1.182 123.930 122.820 -0.119 0.000 1.873 215 A HA -0.153 4.166 4.320 -0.000 0.000 0.215 215 A C 2.157 179.794 177.584 0.087 0.000 1.186 215 A CA 1.004 53.016 52.037 -0.041 0.000 0.616 215 A CB -0.514 18.482 19.000 -0.006 0.000 0.823 215 A HN 0.233 nan 8.150 nan 0.000 0.442 216 L N -0.412 120.914 121.223 0.172 0.000 2.131 216 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 216 L C 2.382 179.292 176.870 0.066 0.000 1.092 216 L CA 2.607 57.566 54.840 0.198 0.000 0.759 216 L CB -0.777 41.428 42.059 0.243 0.000 0.903 216 L HN 0.490 nan 8.230 nan 0.000 0.435 217 Q N -1.004 118.828 119.800 0.054 0.000 2.124 217 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 217 Q C 2.098 178.127 176.000 0.048 0.000 0.977 217 Q CA 2.058 57.881 55.803 0.035 0.000 0.850 217 Q CB -0.679 28.075 28.738 0.026 0.000 0.901 217 Q HN 0.545 nan 8.270 nan 0.000 0.429 218 F N -0.082 119.829 119.950 -0.064 0.000 2.134 218 F HA -0.136 4.390 4.527 -0.000 0.000 0.299 218 F C 1.809 177.542 175.800 -0.112 0.000 1.097 218 F CA 1.561 59.553 58.000 -0.013 0.000 1.264 218 F CB -0.160 38.876 39.000 0.060 0.000 1.001 218 F HN 0.108 nan 8.300 nan 0.000 0.479 219 M N -0.654 118.789 119.600 -0.261 0.000 2.080 219 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 219 M C 2.069 178.298 176.300 -0.119 0.000 1.068 219 M CA 1.680 56.720 55.300 -0.433 0.000 1.109 219 M CB -0.701 31.653 32.600 -0.411 0.000 1.342 219 M HN 0.028 nan 8.290 nan 0.000 0.405 220 V N 0.537 120.422 119.914 -0.049 0.000 2.343 220 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 220 V C 1.696 177.777 176.094 -0.022 0.000 1.051 220 V CA 1.913 64.230 62.300 0.028 0.000 1.036 220 V CB -0.781 31.076 31.823 0.057 0.000 0.654 220 V HN 0.417 nan 8.190 nan 0.000 0.451 221 D N -0.064 120.257 120.400 -0.131 0.000 2.219 221 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 221 D C 2.116 178.289 176.300 -0.211 0.000 0.970 221 D CA 0.885 54.730 54.000 -0.257 0.000 0.851 221 D CB -0.205 40.343 40.800 -0.420 0.000 0.943 221 D HN 0.347 nan 8.370 nan 0.000 0.488 222 L N 0.218 121.355 121.223 -0.143 0.000 2.127 222 L HA -0.140 4.199 4.340 -0.000 0.000 0.211 222 L C 2.264 179.208 176.870 0.124 0.000 1.089 222 L CA 0.819 55.708 54.840 0.081 0.000 0.757 222 L CB -0.166 41.968 42.059 0.125 0.000 0.899 222 L HN 0.049 nan 8.230 nan 0.000 0.434 223 I N -1.878 118.678 120.570 -0.023 0.000 2.385 223 I HA -0.157 4.013 4.170 -0.000 0.000 0.244 223 I C 2.259 178.245 176.117 -0.218 0.000 1.089 223 I CA 0.647 61.830 61.300 -0.195 0.000 1.410 223 I CB -0.273 37.467 38.000 -0.434 0.000 1.117 223 I HN 0.232 nan 8.210 nan 0.000 0.429 224 H N 0.260 119.345 119.070 0.025 0.000 2.562 224 H HA 0.117 4.673 4.556 -0.000 0.000 0.267 224 H C 1.739 177.040 175.328 -0.045 0.000 0.959 224 H CA 0.649 56.699 56.048 0.002 0.000 1.204 224 H CB 0.610 30.357 29.762 -0.026 0.000 1.430 224 H HN 0.294 nan 8.280 nan 0.000 0.545 225 K N 0.219 120.585 120.400 -0.055 0.000 2.266 225 K HA -0.007 4.313 4.320 -0.000 0.000 0.209 225 K C 1.169 177.669 176.600 -0.167 0.000 1.065 225 K CA 0.186 56.347 56.287 -0.209 0.000 0.946 225 K CB 0.335 32.532 32.500 -0.505 0.000 1.069 225 K HN -0.027 nan 8.250 nan 0.000 0.472 226 Y N 1.420 121.766 120.300 0.077 0.000 2.475 226 Y HA 0.193 4.742 4.550 -0.000 0.000 0.289 226 Y C 0.059 176.052 175.900 0.155 0.000 1.121 226 Y CA 0.392 58.554 58.100 0.104 0.000 1.257 226 Y CB -0.028 38.483 38.460 0.086 0.000 1.026 226 Y HN 0.024 nan 8.280 nan 0.000 0.555 227 K N 0.604 121.172 120.400 0.280 0.000 3.257 227 K HA -0.207 4.112 4.320 -0.000 0.000 0.270 227 K C 0.413 177.301 176.600 0.480 0.000 0.984 227 K CA 0.881 57.372 56.287 0.341 0.000 0.739 227 K CB -2.041 30.631 32.500 0.288 0.000 1.351 227 K HN 0.612 nan 8.250 nan 0.000 0.463 228 I N -4.467 116.395 120.570 0.486 0.000 4.139 228 I HA 0.142 4.312 4.170 -0.000 0.000 0.335 228 I C 0.030 176.536 176.117 0.649 0.000 1.327 228 I CA -0.419 61.223 61.300 0.570 0.000 1.112 228 I CB 1.048 39.336 38.000 0.481 0.000 1.058 228 I HN -0.035 nan 8.210 nan 0.000 0.396 229 S N 3.879 119.812 115.700 0.387 0.000 2.502 229 S HA 0.501 4.971 4.470 -0.000 0.000 0.304 229 S C -2.528 171.672 174.600 -0.667 0.000 1.097 229 S CA -1.074 57.101 58.200 -0.042 0.000 1.045 229 S CB 1.679 64.890 63.200 0.018 0.000 1.019 229 S HN 0.096 nan 8.310 nan 0.000 0.481 230 P HA 0.167 nan 4.420 nan 0.000 0.269 230 P C -2.351 174.402 177.300 -0.912 0.000 1.215 230 P CA -1.144 60.862 63.100 -1.823 0.000 0.780 230 P CB 0.157 30.794 31.700 -1.771 0.000 0.898 231 P HA -0.154 nan 4.420 nan 0.000 0.218 231 P C 1.153 177.958 177.300 -0.825 0.000 1.148 231 P CA 1.684 64.489 63.100 -0.492 0.000 0.822 231 P CB -0.508 31.058 31.700 -0.225 0.000 0.784 232 N N -2.150 116.157 118.700 -0.655 0.000 2.575 232 N HA -0.045 4.694 4.740 -0.000 0.000 0.192 232 N C 0.883 176.016 175.510 -0.628 0.000 1.200 232 N CA 0.337 53.018 53.050 -0.615 0.000 0.897 232 N CB -0.600 37.653 38.487 -0.389 0.000 0.990 232 N HN -0.023 nan 8.380 nan 0.000 0.449 233 T N 0.700 114.819 114.554 -0.725 0.000 2.720 233 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 233 T C 1.071 175.472 174.700 -0.499 0.000 1.037 233 T CA 1.502 63.178 62.100 -0.707 0.000 1.144 233 T CB -0.375 67.923 68.868 -0.949 0.000 0.864 233 T HN 0.698 nan 8.240 nan 0.000 0.444 234 Y N 1.080 121.183 120.300 -0.329 0.000 2.466 234 Y HA 0.380 4.930 4.550 -0.000 0.000 0.272 234 Y C 2.090 177.920 175.900 -0.117 0.000 1.169 234 Y CA 0.445 58.435 58.100 -0.182 0.000 1.285 234 Y CB -0.886 37.500 38.460 -0.123 0.000 1.078 234 Y HN 0.206 nan 8.280 nan 0.000 0.523 235 T N -4.371 109.998 114.554 -0.309 0.000 3.026 235 T HA 0.194 4.544 4.350 -0.000 0.000 0.245 235 T C 1.189 175.793 174.700 -0.160 0.000 1.004 235 T CA 0.370 62.365 62.100 -0.176 0.000 1.069 235 T CB 0.125 68.848 68.868 -0.241 0.000 1.005 235 T HN 0.168 nan 8.240 nan 0.000 0.472 236 E N 0.095 120.165 120.200 -0.217 0.000 2.500 236 E HA 0.324 4.674 4.350 -0.000 0.000 0.217 236 E C 0.078 176.565 176.600 -0.189 0.000 0.848 236 E CA 0.016 56.307 56.400 -0.182 0.000 1.217 236 E CB 0.345 29.945 29.700 -0.168 0.000 1.217 236 E HN 0.364 nan 8.360 nan 0.000 0.573 237 M N 2.653 122.122 119.600 -0.217 0.000 2.364 237 M HA 0.098 4.578 4.480 -0.000 0.000 0.342 237 M C 0.647 176.887 176.300 -0.101 0.000 1.601 237 M CA 0.590 55.782 55.300 -0.180 0.000 1.156 237 M CB -0.724 31.713 32.600 -0.273 0.000 1.912 237 M HN -0.004 nan 8.290 nan 0.000 0.460 238 T N -0.332 114.173 114.554 -0.081 0.000 2.693 238 T HA 0.506 4.855 4.350 -0.000 0.000 0.278 238 T C 0.958 175.759 174.700 0.167 0.000 0.994 238 T CA -0.761 61.322 62.100 -0.028 0.000 1.033 238 T CB 1.383 70.037 68.868 -0.357 0.000 1.342 238 T HN 0.416 nan 8.240 nan 0.000 0.538 239 E N 0.664 121.055 120.200 0.318 0.000 2.035 239 E HA -0.166 4.184 4.350 -0.000 0.000 0.204 239 E C 2.145 178.943 176.600 0.330 0.000 1.025 239 E CA 1.878 58.520 56.400 0.403 0.000 0.835 239 E CB -0.214 29.780 29.700 0.491 0.000 0.764 239 E HN 0.617 nan 8.360 nan 0.000 0.457 240 E N -0.764 119.586 120.200 0.250 0.000 2.047 240 E HA -0.082 4.267 4.350 -0.000 0.000 0.191 240 E C -0.477 176.204 176.600 0.134 0.000 0.987 240 E CA 1.216 57.742 56.400 0.212 0.000 0.799 240 E CB -1.560 28.233 29.700 0.154 0.000 0.752 240 E HN 0.236 nan 8.360 nan 0.000 0.449 241 P HA -0.115 nan 4.420 nan 0.000 0.216 241 P C 1.760 179.088 177.300 0.046 0.000 1.150 241 P CA 0.958 64.077 63.100 0.032 0.000 0.837 241 P CB 0.066 31.750 31.700 -0.026 0.000 0.786 242 V N -0.031 119.924 119.914 0.068 0.000 2.307 242 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 242 V C 2.668 178.847 176.094 0.142 0.000 1.045 242 V CA 1.656 64.005 62.300 0.082 0.000 1.024 242 V CB -0.952 30.932 31.823 0.102 0.000 0.651 242 V HN 0.085 nan 8.190 nan 0.000 0.449 243 R N -0.061 120.533 120.500 0.156 0.000 2.091 243 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 243 R C 2.232 178.683 176.300 0.252 0.000 1.136 243 R CA 1.733 57.936 56.100 0.173 0.000 0.959 243 R CB -0.390 29.947 30.300 0.062 0.000 0.856 243 R HN 0.462 nan 8.270 nan 0.000 0.437 244 L N 0.178 121.499 121.223 0.163 0.000 2.027 244 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 244 L C 2.746 179.680 176.870 0.106 0.000 1.074 244 L CA 1.130 56.045 54.840 0.126 0.000 0.745 244 L CB -0.348 41.762 42.059 0.084 0.000 0.898 244 L HN 0.200 nan 8.230 nan 0.000 0.433 245 M N -0.537 119.121 119.600 0.097 0.000 2.082 245 M HA -0.291 4.189 4.480 -0.000 0.000 0.258 245 M C 2.107 178.451 176.300 0.073 0.000 1.069 245 M CA 2.027 57.369 55.300 0.069 0.000 1.102 245 M CB -0.495 32.136 32.600 0.052 0.000 1.336 245 M HN 0.156 nan 8.290 nan 0.000 0.404 246 F N -0.020 119.911 119.950 -0.032 0.000 2.146 246 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 246 F C 2.459 178.141 175.800 -0.196 0.000 1.096 246 F CA 2.165 60.100 58.000 -0.107 0.000 1.275 246 F CB -0.456 38.483 39.000 -0.103 0.000 1.008 246 F HN 0.281 nan 8.300 nan 0.000 0.480 247 Q N -0.334 119.476 119.800 0.016 0.000 2.167 247 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 247 Q C 2.001 177.942 176.000 -0.098 0.000 0.970 247 Q CA 1.250 57.004 55.803 -0.082 0.000 0.855 247 Q CB -0.070 28.743 28.738 0.126 0.000 0.911 247 Q HN 0.382 nan 8.270 nan 0.000 0.438 248 Q N -0.987 118.780 119.800 -0.055 0.000 2.364 248 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 248 Q C 1.031 176.986 176.000 -0.075 0.000 0.970 248 Q CA 1.158 56.936 55.803 -0.042 0.000 0.888 248 Q CB 0.450 29.184 28.738 -0.006 0.000 0.951 248 Q HN 0.601 nan 8.270 nan 0.000 0.469 249 G N 1.274 109.975 108.800 -0.164 0.000 2.131 249 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.223 249 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.223 249 G C 0.241 175.109 174.900 -0.054 0.000 0.990 249 G CA 0.138 45.145 45.100 -0.156 0.000 0.671 249 G HN 0.276 nan 8.290 nan 0.000 0.521 250 N N 0.719 119.339 118.700 -0.134 0.000 2.320 250 N HA 0.548 5.288 4.740 -0.000 0.000 0.237 250 N C 0.397 175.525 175.510 -0.636 0.000 1.129 250 N CA 0.921 53.863 53.050 -0.180 0.000 0.854 250 N CB 0.943 39.418 38.487 -0.019 0.000 1.083 250 N HN 1.177 nan 8.380 nan 0.000 0.504 251 A N -0.885 121.465 122.820 -0.783 0.000 2.566 251 A HA 0.709 5.029 4.320 -0.000 0.000 0.297 251 A C 0.321 177.698 177.584 -0.346 0.000 1.059 251 A CA -0.387 51.247 52.037 -0.672 0.000 0.691 251 A CB 0.746 19.752 19.000 0.010 0.000 1.282 251 A HN 0.049 nan 8.150 nan 0.000 0.401 252 A N 1.083 123.863 122.820 -0.068 0.000 1.935 252 A HA 0.599 4.919 4.320 -0.000 0.000 0.214 252 A C 0.197 177.762 177.584 -0.031 0.000 1.178 252 A CA 1.108 53.177 52.037 0.053 0.000 0.640 252 A CB -0.124 18.904 19.000 0.047 0.000 0.825 252 A HN 0.808 nan 8.150 nan 0.000 0.447 253 F N -1.113 119.152 119.950 0.525 0.000 2.563 253 F HA 0.602 5.129 4.527 -0.000 0.000 0.316 253 F C -0.073 176.119 175.800 0.654 0.000 1.076 253 F CA -0.936 57.390 58.000 0.542 0.000 0.921 253 F CB 1.804 40.970 39.000 0.277 0.000 1.209 253 F HN 0.200 nan 8.300 nan 0.000 0.462 254 E N 2.541 123.128 120.200 0.644 0.000 2.321 254 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 254 E C -1.573 175.321 176.600 0.490 0.000 0.902 254 E CA -0.969 55.696 56.400 0.442 0.000 0.758 254 E CB 1.989 31.614 29.700 -0.125 0.000 1.213 254 E HN 0.557 nan 8.360 nan 0.000 0.426 255 R N 4.242 125.041 120.500 0.497 0.000 2.295 255 R HA 0.462 4.802 4.340 -0.000 0.000 0.324 255 R C -1.325 175.104 176.300 0.214 0.000 0.968 255 R CA -0.164 56.156 56.100 0.366 0.000 0.837 255 R CB 0.669 31.198 30.300 0.381 0.000 1.133 255 R HN 0.770 nan 8.270 nan 0.000 0.450 256 N N 2.920 121.734 118.700 0.190 0.000 3.179 256 N HA 0.295 5.035 4.740 -0.000 0.000 0.250 256 N C -1.357 174.247 175.510 0.157 0.000 1.507 256 N CA -0.507 52.611 53.050 0.112 0.000 0.883 256 N CB 0.803 39.380 38.487 0.151 0.000 1.435 256 N HN 0.375 nan 8.380 nan 0.000 0.532 257 W N 0.642 122.216 121.300 0.456 0.000 2.213 257 W HA 0.409 5.068 4.660 -0.000 0.000 0.356 257 W C -1.204 175.638 176.519 0.537 0.000 1.273 257 W CA -1.147 56.482 57.345 0.474 0.000 1.391 257 W CB -0.397 29.370 29.460 0.511 0.000 1.187 257 W HN 0.506 nan 8.180 nan 0.000 0.649 258 P HA -0.302 nan 4.420 nan 0.000 0.217 258 P C 1.337 179.019 177.300 0.637 0.000 1.151 258 P CA 1.941 65.459 63.100 0.698 0.000 0.849 258 P CB -0.271 31.801 31.700 0.619 0.000 0.787 259 Y N -0.301 120.309 120.300 0.517 0.000 2.315 259 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 259 Y C 2.113 178.117 175.900 0.173 0.000 1.154 259 Y CA 0.702 59.026 58.100 0.373 0.000 1.229 259 Y CB -1.642 37.051 38.460 0.389 0.000 0.980 259 Y HN -0.113 nan 8.280 nan 0.000 0.540 260 A N 1.951 124.249 122.820 -0.869 0.000 1.940 260 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 260 A C 2.241 179.322 177.584 -0.837 0.000 1.176 260 A CA 1.512 52.838 52.037 -1.184 0.000 0.631 260 A CB -1.753 16.506 19.000 -1.235 0.000 0.814 260 A HN 0.881 nan 8.150 nan 0.000 0.446 261 W N 0.807 121.912 121.300 -0.324 0.000 2.335 261 W HA -0.200 4.460 4.660 -0.000 0.000 0.311 261 W C 2.031 178.533 176.519 -0.030 0.000 1.213 261 W CA 1.877 59.233 57.345 0.019 0.000 1.274 261 W CB -0.672 28.985 29.460 0.329 0.000 1.148 261 W HN 0.368 nan 8.180 nan 0.000 0.498 262 G N 1.200 109.991 108.800 -0.014 0.000 2.469 262 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 262 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 262 G C 1.613 176.381 174.900 -0.221 0.000 1.150 262 G CA 1.349 46.370 45.100 -0.132 0.000 0.763 262 G HN 0.319 nan 8.290 nan 0.000 0.561 263 L N -0.680 120.392 121.223 -0.252 0.000 2.068 263 L HA 0.051 4.390 4.340 -0.000 0.000 0.204 263 L C 2.701 179.494 176.870 -0.129 0.000 1.076 263 L CA 0.806 55.533 54.840 -0.188 0.000 0.753 263 L CB -0.456 41.484 42.059 -0.198 0.000 0.910 263 L HN 0.123 nan 8.230 nan 0.000 0.439 264 H N -0.577 118.348 119.070 -0.241 0.000 2.457 264 H HA -0.121 4.435 4.556 -0.000 0.000 0.297 264 H C 1.531 176.668 175.328 -0.317 0.000 1.092 264 H CA 0.995 56.912 56.048 -0.219 0.000 1.309 264 H CB -0.412 29.242 29.762 -0.181 0.000 1.382 264 H HN 0.401 nan 8.280 nan 0.000 0.535 265 N N 0.270 118.742 118.700 -0.379 0.000 2.268 265 N HA 0.195 4.935 4.740 -0.000 0.000 0.204 265 N C -0.170 175.205 175.510 -0.226 0.000 1.124 265 N CA -0.233 52.559 53.050 -0.430 0.000 0.838 265 N CB 0.409 38.435 38.487 -0.768 0.000 0.994 265 N HN 0.136 nan 8.380 nan 0.000 0.489 266 A N 0.418 123.147 122.820 -0.152 0.000 2.363 266 A HA 0.128 4.448 4.320 -0.000 0.000 0.270 266 A C 0.442 177.989 177.584 -0.062 0.000 1.121 266 A CA -0.305 51.679 52.037 -0.089 0.000 0.800 266 A CB 0.400 19.363 19.000 -0.062 0.000 1.052 266 A HN 0.179 nan 8.150 nan 0.000 0.493 267 D N 0.667 121.040 120.400 -0.045 0.000 2.315 267 D HA -0.118 4.522 4.640 -0.000 0.000 0.211 267 D C 0.516 176.802 176.300 -0.023 0.000 0.977 267 D CA 1.629 55.611 54.000 -0.031 0.000 0.894 267 D CB 0.178 40.966 40.800 -0.020 0.000 0.910 267 D HN 0.611 nan 8.370 nan 0.000 0.490 268 D N -0.563 119.825 120.400 -0.020 0.000 2.339 268 D HA -0.012 4.628 4.640 -0.000 0.000 0.217 268 D C 0.307 176.599 176.300 -0.013 0.000 1.050 268 D CA 0.211 54.204 54.000 -0.011 0.000 0.856 268 D CB 0.239 41.037 40.800 -0.003 0.000 0.922 268 D HN 0.017 nan 8.370 nan 0.000 0.518 269 S N 1.407 117.093 115.700 -0.023 0.000 2.452 269 S HA 0.223 4.693 4.470 -0.000 0.000 0.284 269 S C -1.725 172.852 174.600 -0.039 0.000 1.171 269 S CA -1.476 56.709 58.200 -0.025 0.000 1.064 269 S CB 1.731 64.914 63.200 -0.028 0.000 0.967 269 S HN -0.229 nan 8.310 nan 0.000 0.484 270 P HA -0.061 nan 4.420 nan 0.000 0.222 270 P C 0.992 178.248 177.300 -0.072 0.000 1.147 270 P CA 0.699 63.769 63.100 -0.051 0.000 0.790 270 P CB -0.010 31.660 31.700 -0.051 0.000 0.780 271 V N -4.193 115.661 119.914 -0.100 0.000 3.596 271 V HA 0.186 4.306 4.120 -0.000 0.000 0.289 271 V C 0.862 176.908 176.094 -0.081 0.000 1.336 271 V CA -0.546 61.681 62.300 -0.121 0.000 1.137 271 V CB -1.282 30.403 31.823 -0.230 0.000 0.966 271 V HN -0.078 nan 8.190 nan 0.000 0.428 272 K N 1.615 121.970 120.400 -0.074 0.000 2.511 272 K HA 0.298 4.618 4.320 -0.000 0.000 0.280 272 K C 1.371 177.941 176.600 -0.050 0.000 1.008 272 K CA 1.245 57.481 56.287 -0.084 0.000 1.050 272 K CB -0.056 32.399 32.500 -0.075 0.000 0.889 272 K HN 0.808 nan 8.250 nan 0.000 0.484 273 G N 3.612 112.386 108.800 -0.044 0.000 2.184 273 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 273 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 273 G C 0.392 175.316 174.900 0.040 0.000 0.975 273 G CA 0.786 45.897 45.100 0.017 0.000 0.642 273 G HN 0.710 nan 8.290 nan 0.000 0.536 274 K N -0.407 120.006 120.400 0.022 0.000 2.478 274 K HA 0.476 4.796 4.320 -0.000 0.000 0.205 274 K C 0.004 176.634 176.600 0.049 0.000 1.033 274 K CA -0.066 56.239 56.287 0.030 0.000 1.091 274 K CB 1.696 34.194 32.500 -0.003 0.000 0.844 274 K HN 0.217 nan 8.250 nan 0.000 0.507 275 V N 0.827 120.800 119.914 0.098 0.000 2.495 275 V HA 0.539 4.658 4.120 -0.000 0.000 0.298 275 V C 0.338 176.502 176.094 0.116 0.000 1.031 275 V CA -0.979 61.424 62.300 0.171 0.000 0.871 275 V CB 1.659 33.685 31.823 0.338 0.000 0.988 275 V HN 0.283 nan 8.190 nan 0.000 0.432 276 G N 2.748 111.321 108.800 -0.378 0.000 2.454 276 G HA2 0.706 4.666 3.960 -0.000 0.000 0.329 276 G HA3 0.706 4.666 3.960 -0.000 0.000 0.329 276 G C -1.328 173.196 174.900 -0.627 0.000 1.177 276 G CA -0.600 44.084 45.100 -0.694 0.000 0.951 276 G HN 0.581 nan 8.290 nan 0.000 0.485 277 V N -0.030 119.670 119.914 -0.357 0.000 2.656 277 V HA 0.869 4.989 4.120 -0.000 0.000 0.307 277 V C 0.220 176.264 176.094 -0.082 0.000 1.051 277 V CA -0.437 61.641 62.300 -0.370 0.000 0.893 277 V CB 1.069 32.396 31.823 -0.826 0.000 0.999 277 V HN 1.311 nan 8.190 nan 0.000 0.426 278 A N 5.470 128.259 122.820 -0.051 0.000 2.583 278 A HA 1.017 5.336 4.320 -0.000 0.000 0.289 278 A C -3.216 174.259 177.584 -0.182 0.000 1.151 278 A CA -1.740 50.265 52.037 -0.054 0.000 0.695 278 A CB 2.010 21.018 19.000 0.013 0.000 1.290 278 A HN 0.602 nan 8.150 nan 0.000 0.419 279 P HA 0.408 nan 4.420 nan 0.000 0.274 279 P C -0.612 176.497 177.300 -0.319 0.000 1.231 279 P CA -0.199 62.746 63.100 -0.258 0.000 0.790 279 P CB 0.369 31.936 31.700 -0.223 0.000 0.951 280 L N 3.737 124.750 121.223 -0.350 0.000 2.467 280 L HA 0.196 4.536 4.340 -0.000 0.000 0.270 280 L C -1.851 174.576 176.870 -0.739 0.000 1.205 280 L CA -1.543 52.996 54.840 -0.502 0.000 0.828 280 L CB -0.183 41.660 42.059 -0.360 0.000 1.101 280 L HN 0.277 nan 8.230 nan 0.000 0.479 281 P HA 0.080 nan 4.420 nan 0.000 0.272 281 P C -1.248 175.181 177.300 -1.452 0.000 1.254 281 P CA -0.023 62.190 63.100 -1.479 0.000 0.795 281 P CB 0.434 30.997 31.700 -1.895 0.000 1.022 282 H N -2.074 116.395 119.070 -1.001 0.000 2.949 282 H HA 0.464 5.020 4.556 -0.000 0.000 0.356 282 H C -1.065 174.032 175.328 -0.385 0.000 1.212 282 H CA -0.830 54.900 56.048 -0.529 0.000 1.136 282 H CB 0.267 29.904 29.762 -0.208 0.000 1.869 282 H HN 0.125 nan 8.280 nan 0.000 0.556 283 F N 0.523 120.649 119.950 0.293 0.000 2.375 283 F HA 0.300 4.827 4.527 -0.000 0.000 0.333 283 F C -1.899 174.082 175.800 0.302 0.000 1.104 283 F CA -2.364 55.774 58.000 0.231 0.000 1.149 283 F CB 0.483 39.613 39.000 0.217 0.000 1.190 283 F HN 0.294 nan 8.300 nan 0.000 0.533 284 P HA 0.077 nan 4.420 nan 0.000 0.261 284 P C 0.539 177.873 177.300 0.057 0.000 1.173 284 P CA 1.427 64.644 63.100 0.194 0.000 0.760 284 P CB 0.237 32.007 31.700 0.115 0.000 0.783 285 G N 1.138 109.898 108.800 -0.066 0.000 2.157 285 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.248 285 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.248 285 G C 0.132 174.685 174.900 -0.578 0.000 0.979 285 G CA -0.303 44.603 45.100 -0.323 0.000 0.650 285 G HN 0.677 nan 8.290 nan 0.000 0.529 286 H N -0.443 118.629 119.070 0.003 0.000 2.907 286 H HA 0.544 5.100 4.556 -0.000 0.000 0.361 286 H C -0.111 175.065 175.328 -0.253 0.000 1.194 286 H CA -0.567 55.459 56.048 -0.037 0.000 1.152 286 H CB 1.335 31.155 29.762 0.096 0.000 1.867 286 H HN 0.200 nan 8.280 nan 0.000 0.561 287 K N 0.499 120.867 120.400 -0.054 0.000 2.118 287 K HA 0.287 4.607 4.320 -0.000 0.000 0.254 287 K C 0.242 176.792 176.600 -0.084 0.000 0.961 287 K CA -0.624 55.532 56.287 -0.218 0.000 0.876 287 K CB 1.960 34.387 32.500 -0.121 0.000 1.077 287 K HN 0.391 nan 8.250 nan 0.000 0.440 288 S N 0.840 116.473 115.700 -0.111 0.000 2.558 288 S HA 0.270 4.740 4.470 -0.000 0.000 0.288 288 S C -0.502 174.060 174.600 -0.063 0.000 1.318 288 S CA -0.472 57.697 58.200 -0.052 0.000 1.056 288 S CB 0.258 63.402 63.200 -0.094 0.000 0.853 288 S HN 0.599 nan 8.310 nan 0.000 0.505 289 A N 2.879 125.665 122.820 -0.057 0.000 2.413 289 A HA 0.899 5.219 4.320 -0.000 0.000 0.307 289 A C -0.519 176.998 177.584 -0.111 0.000 1.087 289 A CA -0.348 51.657 52.037 -0.053 0.000 0.750 289 A CB 1.648 20.672 19.000 0.040 0.000 1.296 289 A HN 1.555 nan 8.150 nan 0.000 0.423 290 A N 0.955 123.698 122.820 -0.129 0.000 2.408 290 A HA 0.692 5.012 4.320 -0.000 0.000 0.295 290 A C -0.186 177.340 177.584 -0.097 0.000 1.040 290 A CA -0.389 51.562 52.037 -0.143 0.000 0.707 290 A CB 0.768 19.649 19.000 -0.198 0.000 1.235 290 A HN 0.852 nan 8.150 nan 0.000 0.418 291 T N 2.481 117.003 114.554 -0.054 0.000 2.901 291 T HA 0.346 4.696 4.350 -0.000 0.000 0.301 291 T C 0.262 175.054 174.700 0.154 0.000 1.012 291 T CA 0.140 62.256 62.100 0.027 0.000 1.135 291 T CB 0.394 69.330 68.868 0.113 0.000 0.936 291 T HN 0.682 nan 8.240 nan 0.000 0.539 292 L N 3.813 125.061 121.223 0.041 0.000 2.360 292 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 292 L C 0.444 177.303 176.870 -0.019 0.000 1.121 292 L CA 0.630 55.481 54.840 0.018 0.000 0.845 292 L CB -0.199 41.812 42.059 -0.081 0.000 1.143 292 L HN 0.756 nan 8.230 nan 0.000 0.452 293 G N 2.197 110.959 108.800 -0.064 0.000 3.021 293 G HA2 0.807 4.767 3.960 -0.000 0.000 0.290 293 G HA3 0.807 4.767 3.960 -0.000 0.000 0.290 293 G C -0.530 174.094 174.900 -0.460 0.000 1.291 293 G CA -0.393 44.466 45.100 -0.402 0.000 0.834 293 G HN 1.271 nan 8.290 nan 0.000 0.564 294 G N -2.750 105.623 108.800 -0.712 0.000 2.392 294 G HA2 0.292 4.252 3.960 -0.000 0.000 0.677 294 G HA3 0.292 4.252 3.960 -0.000 0.000 0.677 294 G C -1.834 172.416 174.900 -1.085 0.000 1.334 294 G CA -0.632 43.995 45.100 -0.788 0.000 0.961 294 G HN 0.864 nan 8.290 nan 0.000 0.616 295 W N 0.337 120.982 121.300 -1.092 0.000 2.702 295 W HA 0.751 5.411 4.660 -0.000 0.000 0.331 295 W C 0.339 176.653 176.519 -0.342 0.000 1.049 295 W CA -0.602 56.341 57.345 -0.671 0.000 1.230 295 W CB 1.602 30.634 29.460 -0.713 0.000 1.408 295 W HN 0.647 nan 8.180 nan 0.000 0.492 296 H N 2.832 121.734 119.070 -0.281 0.000 2.569 296 H HA 0.528 5.084 4.556 -0.000 0.000 0.357 296 H C -0.856 174.434 175.328 -0.064 0.000 1.153 296 H CA -1.132 54.809 56.048 -0.178 0.000 1.193 296 H CB 3.100 32.722 29.762 -0.233 0.000 1.602 296 H HN 0.288 nan 8.280 nan 0.000 0.523 297 I N 1.683 122.286 120.570 0.056 0.000 2.392 297 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 297 I C -0.096 175.997 176.117 -0.040 0.000 0.985 297 I CA 0.017 61.340 61.300 0.037 0.000 1.221 297 I CB 0.862 38.889 38.000 0.045 0.000 1.366 297 I HN 0.710 nan 8.210 nan 0.000 0.467 298 G N 7.042 115.732 108.800 -0.184 0.000 2.694 298 G HA2 0.632 4.591 3.960 -0.000 0.000 0.290 298 G HA3 0.632 4.591 3.960 -0.000 0.000 0.290 298 G C -1.477 173.126 174.900 -0.495 0.000 1.386 298 G CA -0.642 44.311 45.100 -0.245 0.000 0.872 298 G HN 0.525 nan 8.290 nan 0.000 0.475 299 I N 0.914 121.320 120.570 -0.273 0.000 2.404 299 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 299 I C 0.663 176.771 176.117 -0.015 0.000 0.992 299 I CA -0.728 60.448 61.300 -0.205 0.000 1.149 299 I CB 2.065 39.976 38.000 -0.148 0.000 1.315 299 I HN 0.452 nan 8.210 nan 0.000 0.446 300 S N 5.147 120.939 115.700 0.154 0.000 2.533 300 S HA 0.006 4.476 4.470 -0.000 0.000 0.282 300 S C 1.242 175.928 174.600 0.143 0.000 1.304 300 S CA -0.200 58.222 58.200 0.371 0.000 1.063 300 S CB 0.564 64.067 63.200 0.504 0.000 0.881 300 S HN 0.776 nan 8.310 nan 0.000 0.493 301 K N 3.710 124.109 120.400 -0.001 0.000 2.280 301 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 301 K C 0.260 176.667 176.600 -0.321 0.000 1.047 301 K CA 1.486 57.634 56.287 -0.230 0.000 0.942 301 K CB -0.189 32.042 32.500 -0.448 0.000 0.739 301 K HN 0.857 nan 8.250 nan 0.000 0.457 302 Y N 0.711 121.103 120.300 0.154 0.000 2.466 302 Y HA 0.171 4.721 4.550 -0.000 0.000 0.272 302 Y C 0.969 176.928 175.900 0.099 0.000 1.169 302 Y CA -0.274 57.892 58.100 0.110 0.000 1.285 302 Y CB 0.116 38.626 38.460 0.082 0.000 1.078 302 Y HN -0.070 nan 8.280 nan 0.000 0.523 303 S N 0.655 116.468 115.700 0.188 0.000 2.562 303 S HA -0.006 4.463 4.470 -0.000 0.000 0.281 303 S C 0.877 175.551 174.600 0.123 0.000 1.333 303 S CA -0.381 57.910 58.200 0.152 0.000 1.052 303 S CB 0.494 63.769 63.200 0.125 0.000 0.884 303 S HN 0.340 nan 8.310 nan 0.000 0.506 304 D N 2.826 123.291 120.400 0.108 0.000 2.369 304 D HA 0.117 4.757 4.640 -0.000 0.000 0.211 304 D C -0.353 176.000 176.300 0.087 0.000 1.077 304 D CA 0.310 54.365 54.000 0.092 0.000 0.842 304 D CB 0.004 40.852 40.800 0.079 0.000 0.947 304 D HN 0.529 nan 8.370 nan 0.000 0.509 305 N N 0.126 118.880 118.700 0.090 0.000 2.642 305 N HA 0.113 4.853 4.740 -0.000 0.000 0.308 305 N C 0.840 176.411 175.510 0.102 0.000 1.914 305 N CA -0.175 52.929 53.050 0.090 0.000 0.893 305 N CB 1.017 39.547 38.487 0.073 0.000 1.322 305 N HN -0.117 nan 8.380 nan 0.000 0.490 306 K N 0.450 120.924 120.400 0.124 0.000 2.097 306 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 306 K C 1.817 178.528 176.600 0.185 0.000 1.049 306 K CA 1.331 57.693 56.287 0.125 0.000 0.933 306 K CB 0.034 32.651 32.500 0.195 0.000 0.717 306 K HN 0.331 nan 8.250 nan 0.000 0.442 307 A N 1.435 124.412 122.820 0.262 0.000 1.902 307 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 307 A C 2.084 179.817 177.584 0.250 0.000 1.181 307 A CA 1.150 53.378 52.037 0.318 0.000 0.623 307 A CB -0.442 18.701 19.000 0.238 0.000 0.818 307 A HN 0.224 nan 8.150 nan 0.000 0.443 308 L N -0.314 121.006 121.223 0.163 0.000 2.093 308 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 308 L C 2.626 179.550 176.870 0.090 0.000 1.085 308 L CA 2.010 56.924 54.840 0.124 0.000 0.755 308 L CB -0.956 41.162 42.059 0.099 0.000 0.904 308 L HN 0.334 nan 8.230 nan 0.000 0.435 309 A N -0.672 122.190 122.820 0.071 0.000 1.908 309 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 309 A C 2.320 179.936 177.584 0.052 0.000 1.181 309 A CA 1.800 53.853 52.037 0.027 0.000 0.627 309 A CB -1.494 17.510 19.000 0.008 0.000 0.818 309 A HN 0.789 nan 8.150 nan 0.000 0.445 310 W N 0.739 121.951 121.300 -0.147 0.000 2.363 310 W HA -0.141 4.519 4.660 -0.000 0.000 0.296 310 W C 1.605 178.069 176.519 -0.092 0.000 1.212 310 W CA 1.595 58.827 57.345 -0.187 0.000 1.260 310 W CB -0.001 29.348 29.460 -0.185 0.000 1.131 310 W HN 0.373 nan 8.180 nan 0.000 0.530 311 E N 0.289 120.428 120.200 -0.101 0.000 2.110 311 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 311 E C 1.822 178.312 176.600 -0.184 0.000 0.988 311 E CA 1.277 57.563 56.400 -0.190 0.000 0.804 311 E CB -1.040 28.614 29.700 -0.076 0.000 0.745 311 E HN 0.332 nan 8.360 nan 0.000 0.458 312 F N 1.011 120.700 119.950 -0.435 0.000 2.206 312 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 312 F C 2.195 177.734 175.800 -0.435 0.000 1.090 312 F CA 0.629 58.162 58.000 -0.777 0.000 1.323 312 F CB -0.166 38.282 39.000 -0.919 0.000 1.028 312 F HN -0.220 nan 8.300 nan 0.000 0.492 313 V N 0.732 120.418 119.914 -0.379 0.000 2.295 313 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 313 V C 2.387 178.198 176.094 -0.472 0.000 1.049 313 V CA 2.208 64.269 62.300 -0.399 0.000 1.024 313 V CB -0.633 31.026 31.823 -0.274 0.000 0.648 313 V HN 0.254 nan 8.190 nan 0.000 0.447 314 K N -0.982 119.012 120.400 -0.677 0.000 2.097 314 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 314 K C 2.086 178.624 176.600 -0.103 0.000 1.049 314 K CA 1.743 57.733 56.287 -0.494 0.000 0.933 314 K CB -0.322 31.797 32.500 -0.634 0.000 0.717 314 K HN 0.438 nan 8.250 nan 0.000 0.442 315 F N 1.368 121.167 119.950 -0.251 0.000 2.113 315 F HA -0.171 4.356 4.527 -0.000 0.000 0.297 315 F C 1.927 177.626 175.800 -0.168 0.000 1.103 315 F CA 0.971 58.904 58.000 -0.112 0.000 1.248 315 F CB -0.246 38.752 39.000 -0.003 0.000 0.999 315 F HN -0.299 nan 8.300 nan 0.000 0.475 316 V N 0.206 119.920 119.914 -0.332 0.000 2.490 316 V HA -0.210 3.910 4.120 -0.000 0.000 0.250 316 V C 1.861 177.962 176.094 0.012 0.000 1.061 316 V CA 1.879 64.067 62.300 -0.187 0.000 1.064 316 V CB -0.580 31.154 31.823 -0.148 0.000 0.670 316 V HN 0.269 nan 8.190 nan 0.000 0.461 317 E N 0.410 120.620 120.200 0.017 0.000 2.479 317 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 317 E C 1.133 177.849 176.600 0.194 0.000 1.049 317 E CA 0.225 56.754 56.400 0.215 0.000 0.870 317 E CB 0.116 30.020 29.700 0.339 0.000 0.944 317 E HN 0.713 nan 8.360 nan 0.000 0.492 318 S N -0.234 115.471 115.700 0.009 0.000 2.579 318 S HA 0.030 4.499 4.470 -0.000 0.000 0.275 318 S C 1.135 175.710 174.600 -0.042 0.000 1.345 318 S CA -0.592 57.606 58.200 -0.004 0.000 1.031 318 S CB 0.813 63.964 63.200 -0.081 0.000 0.892 318 S HN 0.191 nan 8.310 nan 0.000 0.529 319 Y N 2.880 123.126 120.300 -0.090 0.000 2.081 319 Y HA -0.205 4.345 4.550 -0.000 0.000 0.280 319 Y C 2.635 178.458 175.900 -0.129 0.000 1.163 319 Y CA 2.530 60.570 58.100 -0.100 0.000 1.135 319 Y CB -0.856 37.544 38.460 -0.100 0.000 0.970 319 Y HN 0.772 nan 8.280 nan 0.000 0.498 320 S N -0.762 114.926 115.700 -0.021 0.000 2.368 320 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 320 S C 2.079 176.487 174.600 -0.319 0.000 1.030 320 S CA 1.469 59.597 58.200 -0.120 0.000 0.999 320 S CB -0.679 62.494 63.200 -0.044 0.000 0.844 320 S HN 0.333 nan 8.310 nan 0.000 0.459 321 V N 1.917 121.559 119.914 -0.454 0.000 2.358 321 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 321 V C 2.589 178.183 176.094 -0.834 0.000 1.047 321 V CA 1.359 63.232 62.300 -0.712 0.000 1.035 321 V CB -0.600 30.688 31.823 -0.891 0.000 0.658 321 V HN 0.423 nan 8.190 nan 0.000 0.452 322 Q N 0.175 119.692 119.800 -0.472 0.000 2.119 322 Q HA -0.227 4.113 4.340 -0.000 0.000 0.201 322 Q C 2.319 178.177 176.000 -0.237 0.000 0.972 322 Q CA 1.638 57.328 55.803 -0.189 0.000 0.847 322 Q CB -0.298 28.404 28.738 -0.060 0.000 0.903 322 Q HN 0.667 nan 8.270 nan 0.000 0.433 323 K N 0.151 120.308 120.400 -0.406 0.000 2.097 323 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 323 K C 2.001 178.462 176.600 -0.232 0.000 1.049 323 K CA 1.404 57.478 56.287 -0.354 0.000 0.933 323 K CB -0.304 31.940 32.500 -0.426 0.000 0.717 323 K HN 0.207 nan 8.250 nan 0.000 0.442 324 G N 0.238 108.866 108.800 -0.286 0.000 2.422 324 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 324 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 324 G C 1.125 175.872 174.900 -0.254 0.000 1.140 324 G CA 0.335 45.310 45.100 -0.208 0.000 0.775 324 G HN 0.214 nan 8.290 nan 0.000 0.545 325 F N 1.831 121.592 119.950 -0.316 0.000 2.102 325 F HA 0.084 4.610 4.527 -0.000 0.000 0.298 325 F C 2.982 178.527 175.800 -0.426 0.000 1.105 325 F CA 0.399 58.050 58.000 -0.581 0.000 1.239 325 F CB -0.909 37.921 39.000 -0.284 0.000 0.991 325 F HN 0.248 nan 8.300 nan 0.000 0.474 326 A N 0.524 123.345 122.820 0.001 0.000 1.898 326 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 326 A C 2.237 179.803 177.584 -0.031 0.000 1.181 326 A CA 1.924 53.961 52.037 -0.001 0.000 0.620 326 A CB -0.851 18.147 19.000 -0.003 0.000 0.819 326 A HN 0.474 nan 8.150 nan 0.000 0.442 327 M N -1.243 118.319 119.600 -0.063 0.000 2.193 327 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 327 M C 1.499 177.775 176.300 -0.041 0.000 1.071 327 M CA 2.227 57.512 55.300 -0.025 0.000 1.140 327 M CB -0.670 31.911 32.600 -0.032 0.000 1.369 327 M HN 0.323 nan 8.290 nan 0.000 0.423 328 N N 0.905 119.518 118.700 -0.145 0.000 2.220 328 N HA 0.139 4.879 4.740 -0.000 0.000 0.182 328 N C 1.710 177.035 175.510 -0.308 0.000 1.023 328 N CA 0.950 53.880 53.050 -0.199 0.000 0.856 328 N CB 0.125 38.486 38.487 -0.210 0.000 0.997 328 N HN 0.264 nan 8.380 nan 0.000 0.429 329 L N -0.762 120.147 121.223 -0.524 0.000 2.513 329 L HA 0.305 4.645 4.340 -0.000 0.000 0.222 329 L C 1.198 177.933 176.870 -0.225 0.000 1.096 329 L CA 0.198 54.682 54.840 -0.593 0.000 0.857 329 L CB 0.097 41.333 42.059 -1.372 0.000 1.026 329 L HN 0.309 nan 8.230 nan 0.000 0.469 330 G N -1.203 107.572 108.800 -0.042 0.000 2.179 330 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 330 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 330 G C -0.102 174.965 174.900 0.279 0.000 0.977 330 G CA -0.426 44.824 45.100 0.250 0.000 0.641 330 G HN 0.118 nan 8.290 nan 0.000 0.533 331 W N 0.890 122.164 121.300 -0.044 0.000 2.170 331 W HA 0.488 5.148 4.660 -0.000 0.000 0.342 331 W C 0.646 177.116 176.519 -0.081 0.000 1.294 331 W CA -0.831 56.449 57.345 -0.109 0.000 1.246 331 W CB 0.015 29.248 29.460 -0.377 0.000 1.156 331 W HN 0.253 nan 8.180 nan 0.000 0.572 332 N N 3.567 122.336 118.700 0.114 0.000 2.420 332 N HA 0.276 5.016 4.740 -0.000 0.000 0.249 332 N C -2.556 172.970 175.510 0.026 0.000 1.033 332 N CA -1.632 51.311 53.050 -0.178 0.000 0.944 332 N CB 0.709 38.774 38.487 -0.704 0.000 1.113 332 N HN -0.129 nan 8.380 nan 0.000 0.502 333 P HA 0.082 nan 4.420 nan 0.000 0.266 333 P C 0.676 178.156 177.300 0.301 0.000 1.193 333 P CA -0.048 63.200 63.100 0.247 0.000 0.770 333 P CB 0.681 32.515 31.700 0.223 0.000 0.836 334 G N 2.093 111.086 108.800 0.323 0.000 2.712 334 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.212 334 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.212 334 G C 0.521 175.765 174.900 0.572 0.000 1.142 334 G CA 0.122 45.439 45.100 0.362 0.000 0.789 334 G HN 0.411 nan 8.290 nan 0.000 0.535 335 R N 1.003 121.765 120.500 0.438 0.000 2.312 335 R HA 0.423 4.763 4.340 -0.000 0.000 0.311 335 R C 0.465 176.783 176.300 0.030 0.000 1.004 335 R CA -0.548 55.666 56.100 0.189 0.000 0.902 335 R CB 1.289 31.643 30.300 0.090 0.000 1.073 335 R HN 0.031 nan 8.270 nan 0.000 0.457 336 V N 1.395 121.086 119.914 -0.372 0.000 3.237 336 V HA 0.091 4.211 4.120 -0.000 0.000 0.305 336 V C 0.260 176.281 176.094 -0.123 0.000 1.096 336 V CA 0.155 62.160 62.300 -0.492 0.000 1.130 336 V CB 0.744 32.142 31.823 -0.709 0.000 1.048 336 V HN 1.062 nan 8.190 nan 0.000 0.484 337 D N -0.250 120.114 120.400 -0.061 0.000 2.462 337 D HA -0.221 4.418 4.640 -0.000 0.000 0.172 337 D C 1.260 177.422 176.300 -0.229 0.000 1.218 337 D CA 1.601 55.468 54.000 -0.221 0.000 1.131 337 D CB -1.233 39.495 40.800 -0.121 0.000 1.155 337 D HN 0.551 nan 8.370 nan 0.000 0.443 338 V N 1.112 120.991 119.914 -0.058 0.000 2.380 338 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 338 V C 2.356 178.382 176.094 -0.113 0.000 1.063 338 V CA 2.501 64.724 62.300 -0.128 0.000 1.055 338 V CB -0.972 30.736 31.823 -0.191 0.000 0.657 338 V HN 0.514 nan 8.190 nan 0.000 0.455 339 Y N 0.074 120.379 120.300 0.009 0.000 2.384 339 Y HA -0.155 4.395 4.550 -0.000 0.000 0.289 339 Y C 1.954 177.847 175.900 -0.012 0.000 1.152 339 Y CA 1.612 59.696 58.100 -0.027 0.000 1.258 339 Y CB -0.719 37.723 38.460 -0.030 0.000 0.979 339 Y HN 0.252 nan 8.280 nan 0.000 0.549 340 D N 0.461 120.454 120.400 -0.679 0.000 2.350 340 D HA -0.076 4.563 4.640 -0.000 0.000 0.213 340 D C -0.179 176.022 176.300 -0.165 0.000 1.031 340 D CA 0.227 53.967 54.000 -0.434 0.000 0.861 340 D CB -0.261 40.170 40.800 -0.614 0.000 0.926 340 D HN 0.441 nan 8.370 nan 0.000 0.520 341 D N 0.754 121.092 120.400 -0.104 0.000 2.458 341 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 341 D C -1.624 174.670 176.300 -0.010 0.000 1.146 341 D CA -1.429 52.563 54.000 -0.012 0.000 0.877 341 D CB 1.985 42.809 40.800 0.041 0.000 1.176 341 D HN -0.029 nan 8.370 nan 0.000 0.461 342 P HA -0.154 nan 4.420 nan 0.000 0.216 342 P C 0.849 178.159 177.300 0.016 0.000 1.150 342 P CA 1.713 64.818 63.100 0.008 0.000 0.843 342 P CB 0.174 31.878 31.700 0.007 0.000 0.787 343 A N -1.011 121.819 122.820 0.015 0.000 1.969 343 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 343 A C 2.256 179.849 177.584 0.016 0.000 1.169 343 A CA 1.540 53.587 52.037 0.017 0.000 0.635 343 A CB -1.494 17.513 19.000 0.012 0.000 0.810 343 A HN 0.045 nan 8.150 nan 0.000 0.445 344 V N 0.280 120.195 119.914 0.002 0.000 2.407 344 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 344 V C 2.708 178.808 176.094 0.011 0.000 1.041 344 V CA 1.771 64.069 62.300 -0.003 0.000 1.040 344 V CB -0.669 31.137 31.823 -0.027 0.000 0.671 344 V HN 0.565 nan 8.190 nan 0.000 0.455 345 V N -2.078 117.845 119.914 0.016 0.000 2.490 345 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 345 V C 2.247 178.370 176.094 0.049 0.000 1.061 345 V CA 2.212 64.527 62.300 0.026 0.000 1.064 345 V CB -1.023 30.819 31.823 0.032 0.000 0.670 345 V HN 0.457 nan 8.190 nan 0.000 0.461 346 S N 0.463 116.196 115.700 0.055 0.000 2.368 346 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 346 S C 1.957 176.632 174.600 0.125 0.000 1.030 346 S CA 2.096 60.343 58.200 0.077 0.000 0.999 346 S CB -0.286 62.950 63.200 0.060 0.000 0.844 346 S HN 0.600 nan 8.310 nan 0.000 0.459 347 K N 0.816 121.297 120.400 0.136 0.000 2.308 347 K HA 0.285 4.605 4.320 -0.000 0.000 0.197 347 K C 0.300 177.150 176.600 0.416 0.000 1.049 347 K CA 0.341 56.769 56.287 0.236 0.000 0.991 347 K CB 0.487 33.088 32.500 0.167 0.000 0.836 347 K HN 0.056 nan 8.250 nan 0.000 0.500 348 S N 1.609 117.417 115.700 0.179 0.000 2.204 348 S HA 0.179 4.649 4.470 -0.000 0.000 0.178 348 S C -2.228 172.181 174.600 -0.319 0.000 1.493 348 S CA -0.933 57.209 58.200 -0.097 0.000 1.266 348 S CB 1.027 64.136 63.200 -0.152 0.000 1.232 348 S HN 0.057 nan 8.310 nan 0.000 0.406 349 P HA -0.211 nan 4.420 nan 0.000 0.219 349 P C 1.276 178.501 177.300 -0.124 0.000 1.146 349 P CA 1.356 64.412 63.100 -0.074 0.000 0.808 349 P CB -0.274 31.440 31.700 0.023 0.000 0.779 350 H N -0.579 118.359 119.070 -0.219 0.000 2.521 350 H HA 0.064 4.620 4.556 -0.000 0.000 0.286 350 H C 1.997 177.310 175.328 -0.025 0.000 1.034 350 H CA 0.363 56.311 56.048 -0.166 0.000 1.278 350 H CB -1.289 28.289 29.762 -0.307 0.000 1.386 350 H HN 0.166 nan 8.280 nan 0.000 0.567 351 L N 0.460 121.436 121.223 -0.411 0.000 2.131 351 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 351 L C 2.859 179.657 176.870 -0.120 0.000 1.092 351 L CA 1.650 56.348 54.840 -0.237 0.000 0.759 351 L CB -0.284 41.606 42.059 -0.282 0.000 0.903 351 L HN 0.237 nan 8.230 nan 0.000 0.435 352 K N -0.201 120.198 120.400 -0.002 0.000 2.044 352 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 352 K C 2.044 178.654 176.600 0.016 0.000 1.045 352 K CA 0.605 56.944 56.287 0.086 0.000 0.951 352 K CB 0.191 32.837 32.500 0.242 0.000 0.738 352 K HN 0.044 nan 8.250 nan 0.000 0.443 353 E N 0.953 121.170 120.200 0.029 0.000 2.118 353 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 353 E C 1.293 177.898 176.600 0.008 0.000 0.992 353 E CA 1.027 57.441 56.400 0.024 0.000 0.804 353 E CB 0.026 29.743 29.700 0.028 0.000 0.741 353 E HN 0.393 nan 8.360 nan 0.000 0.458 354 L N 1.066 122.307 121.223 0.030 0.000 2.912 354 L HA 0.248 4.588 4.340 -0.000 0.000 0.240 354 L C 1.680 178.570 176.870 0.034 0.000 1.262 354 L CA -0.368 54.469 54.840 -0.005 0.000 1.058 354 L CB 0.166 42.203 42.059 -0.037 0.000 1.383 354 L HN -0.111 nan 8.230 nan 0.000 0.512 355 R N 1.888 122.389 120.500 0.003 0.000 2.103 355 R HA -0.187 4.153 4.340 -0.000 0.000 0.242 355 R C 2.276 178.563 176.300 -0.021 0.000 1.142 355 R CA 1.990 58.062 56.100 -0.046 0.000 0.960 355 R CB -0.451 29.741 30.300 -0.180 0.000 0.858 355 R HN 0.446 nan 8.270 nan 0.000 0.439 356 A N -0.618 122.168 122.820 -0.057 0.000 1.978 356 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 356 A C 2.326 179.836 177.584 -0.124 0.000 1.170 356 A CA 1.693 53.686 52.037 -0.074 0.000 0.636 356 A CB -0.606 18.350 19.000 -0.072 0.000 0.810 356 A HN 0.177 nan 8.150 nan 0.000 0.448 357 V N -1.142 118.644 119.914 -0.213 0.000 2.295 357 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 357 V C 2.315 178.171 176.094 -0.397 0.000 1.049 357 V CA 2.244 64.322 62.300 -0.371 0.000 1.024 357 V CB -0.984 30.475 31.823 -0.607 0.000 0.648 357 V HN 0.587 nan 8.190 nan 0.000 0.447 358 F N 0.517 120.388 119.950 -0.131 0.000 2.163 358 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 358 F C 2.477 178.168 175.800 -0.181 0.000 1.094 358 F CA 1.393 59.299 58.000 -0.156 0.000 1.290 358 F CB -0.655 38.213 39.000 -0.221 0.000 1.017 358 F HN 0.178 nan 8.300 nan 0.000 0.483 359 E N -0.246 119.947 120.200 -0.012 0.000 2.268 359 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 359 E C 0.770 177.346 176.600 -0.041 0.000 0.995 359 E CA 0.790 57.162 56.400 -0.047 0.000 0.836 359 E CB -0.220 29.464 29.700 -0.026 0.000 0.763 359 E HN 0.394 nan 8.360 nan 0.000 0.491 360 N N 0.380 119.043 118.700 -0.062 0.000 2.234 360 N HA 0.141 4.881 4.740 -0.000 0.000 0.227 360 N C -0.473 174.986 175.510 -0.085 0.000 1.151 360 N CA 0.001 53.012 53.050 -0.066 0.000 0.865 360 N CB 0.889 39.334 38.487 -0.069 0.000 1.066 360 N HN -0.013 nan 8.380 nan 0.000 0.515 361 A N 0.833 123.602 122.820 -0.084 0.000 2.546 361 A HA 0.166 4.486 4.320 -0.000 0.000 0.243 361 A C 0.580 178.096 177.584 -0.114 0.000 1.063 361 A CA 0.075 52.058 52.037 -0.090 0.000 0.757 361 A CB 0.267 19.243 19.000 -0.039 0.000 0.991 361 A HN 0.028 nan 8.150 nan 0.000 0.503 362 V N 6.014 125.825 119.914 -0.170 0.000 2.488 362 V HA 0.255 4.375 4.120 -0.000 0.000 0.277 362 V C -2.048 173.902 176.094 -0.240 0.000 1.046 362 V CA -1.083 61.052 62.300 -0.276 0.000 0.986 362 V CB 1.001 32.490 31.823 -0.556 0.000 0.989 362 V HN 0.781 nan 8.190 nan 0.000 0.475 363 P HA 0.396 nan 4.420 nan 0.000 0.284 363 P C -0.284 176.899 177.300 -0.195 0.000 1.253 363 P CA -0.600 62.390 63.100 -0.183 0.000 0.800 363 P CB 0.774 32.388 31.700 -0.143 0.000 0.961 364 R N 3.141 123.497 120.500 -0.240 0.000 2.707 364 R HA 0.258 4.598 4.340 -0.000 0.000 0.270 364 R C -1.982 174.128 176.300 -0.318 0.000 1.083 364 R CA -1.475 54.476 56.100 -0.249 0.000 1.182 364 R CB -0.764 29.284 30.300 -0.421 0.000 1.084 364 R HN 0.370 nan 8.270 nan 0.000 0.528 365 P HA -0.064 nan 4.420 nan 0.000 0.258 365 P C -0.873 176.155 177.300 -0.454 0.000 1.187 365 P CA 0.496 63.279 63.100 -0.527 0.000 0.767 365 P CB 0.190 31.201 31.700 -1.148 0.000 0.770 366 I N 5.061 125.498 120.570 -0.221 0.000 2.243 366 I HA 0.187 4.356 4.170 -0.000 0.000 0.297 366 I C 0.388 176.424 176.117 -0.136 0.000 1.161 366 I CA 0.173 61.358 61.300 -0.191 0.000 1.298 366 I CB -0.058 37.873 38.000 -0.115 0.000 1.475 366 I HN 0.064 nan 8.210 nan 0.000 0.561 367 V N 7.718 127.466 119.914 -0.278 0.000 2.888 367 V HA 0.453 4.573 4.120 -0.000 0.000 0.309 367 V C -1.754 174.122 176.094 -0.362 0.000 1.114 367 V CA -1.653 60.422 62.300 -0.374 0.000 0.940 367 V CB 2.868 34.236 31.823 -0.757 0.000 1.021 367 V HN 0.321 nan 8.190 nan 0.000 0.426 368 P HA -0.140 nan 4.420 nan 0.000 0.218 368 P C 0.268 177.562 177.300 -0.009 0.000 1.146 368 P CA 1.613 64.665 63.100 -0.080 0.000 0.813 368 P CB -0.084 31.614 31.700 -0.004 0.000 0.778 369 Y N -5.056 115.286 120.300 0.070 0.000 2.708 369 Y HA 0.356 4.905 4.550 -0.000 0.000 0.287 369 Y C 1.594 177.527 175.900 0.055 0.000 1.145 369 Y CA -1.553 56.581 58.100 0.056 0.000 1.249 369 Y CB -1.476 37.007 38.460 0.038 0.000 1.152 369 Y HN -0.131 nan 8.280 nan 0.000 0.532 370 Y N 2.762 122.975 120.300 -0.144 0.000 2.128 370 Y HA -0.028 4.522 4.550 -0.000 0.000 0.284 370 Y C -0.804 175.117 175.900 0.036 0.000 1.154 370 Y CA 1.140 59.178 58.100 -0.104 0.000 1.149 370 Y CB -1.326 37.055 38.460 -0.132 0.000 0.976 370 Y HN 0.165 nan 8.280 nan 0.000 0.505 371 P HA -0.242 nan 4.420 nan 0.000 0.217 371 P C 1.490 178.708 177.300 -0.138 0.000 1.158 371 P CA 2.433 65.476 63.100 -0.096 0.000 0.887 371 P CB -0.095 31.617 31.700 0.020 0.000 0.792 372 Q N -1.274 118.507 119.800 -0.032 0.000 2.172 372 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 372 Q C 2.212 178.198 176.000 -0.024 0.000 0.964 372 Q CA 0.945 56.744 55.803 -0.006 0.000 0.855 372 Q CB -0.963 27.806 28.738 0.053 0.000 0.918 372 Q HN 0.356 nan 8.270 nan 0.000 0.444 373 L N 0.095 121.293 121.223 -0.041 0.000 2.072 373 L HA -0.137 4.203 4.340 -0.000 0.000 0.205 373 L C 2.452 179.232 176.870 -0.149 0.000 1.079 373 L CA 1.132 55.956 54.840 -0.026 0.000 0.752 373 L CB -0.269 41.799 42.059 0.015 0.000 0.906 373 L HN 0.182 nan 8.230 nan 0.000 0.436 374 S N -0.300 115.126 115.700 -0.456 0.000 2.370 374 S HA -0.304 4.165 4.470 -0.000 0.000 0.226 374 S C 1.854 176.369 174.600 -0.143 0.000 1.033 374 S CA 1.902 59.861 58.200 -0.401 0.000 1.011 374 S CB -0.224 62.556 63.200 -0.699 0.000 0.852 374 S HN 0.513 nan 8.310 nan 0.000 0.457 375 E N 0.125 120.252 120.200 -0.121 0.000 2.118 375 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 375 E C 1.926 178.509 176.600 -0.029 0.000 0.992 375 E CA 1.555 57.922 56.400 -0.056 0.000 0.804 375 E CB -0.213 29.459 29.700 -0.046 0.000 0.741 375 E HN 0.656 nan 8.360 nan 0.000 0.458 376 I N 0.429 121.008 120.570 0.015 0.000 2.202 376 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 376 I C 2.291 178.505 176.117 0.161 0.000 1.091 376 I CA 0.897 62.265 61.300 0.113 0.000 1.368 376 I CB -0.210 37.888 38.000 0.163 0.000 1.058 376 I HN 0.188 nan 8.210 nan 0.000 0.410 377 I N 0.377 121.012 120.570 0.109 0.000 2.252 377 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 377 I C 2.618 178.739 176.117 0.007 0.000 1.102 377 I CA 1.351 62.709 61.300 0.097 0.000 1.385 377 I CB -0.425 37.653 38.000 0.130 0.000 1.064 377 I HN 0.286 nan 8.210 nan 0.000 0.414 378 Q N 0.941 120.738 119.800 -0.005 0.000 2.030 378 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 378 Q C 2.251 178.210 176.000 -0.068 0.000 0.986 378 Q CA 1.725 57.517 55.803 -0.019 0.000 0.843 378 Q CB -0.170 28.570 28.738 0.003 0.000 0.904 378 Q HN 0.443 nan 8.270 nan 0.000 0.420 379 K N -0.103 120.213 120.400 -0.140 0.000 2.020 379 K HA -0.207 4.113 4.320 -0.000 0.000 0.212 379 K C 2.042 178.426 176.600 -0.360 0.000 1.050 379 K CA 1.834 57.941 56.287 -0.298 0.000 0.929 379 K CB -0.292 31.905 32.500 -0.504 0.000 0.714 379 K HN 0.220 nan 8.250 nan 0.000 0.443 380 Y N 0.479 120.744 120.300 -0.060 0.000 2.263 380 Y HA -0.154 4.395 4.550 -0.000 0.000 0.292 380 Y C 2.342 178.169 175.900 -0.122 0.000 1.130 380 Y CA 0.550 58.603 58.100 -0.078 0.000 1.179 380 Y CB -0.591 37.829 38.460 -0.067 0.000 0.998 380 Y HN -0.183 nan 8.280 nan 0.000 0.532 381 V N 0.610 120.485 119.914 -0.065 0.000 2.358 381 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 381 V C 2.375 178.414 176.094 -0.092 0.000 1.047 381 V CA 2.079 64.263 62.300 -0.194 0.000 1.035 381 V CB -0.644 30.920 31.823 -0.431 0.000 0.658 381 V HN 0.526 nan 8.190 nan 0.000 0.452 382 N N -0.091 118.575 118.700 -0.058 0.000 2.120 382 N HA -0.180 4.559 4.740 -0.000 0.000 0.188 382 N C 2.146 177.611 175.510 -0.075 0.000 1.024 382 N CA 1.758 54.797 53.050 -0.019 0.000 0.852 382 N CB -0.023 38.473 38.487 0.014 0.000 1.003 382 N HN 0.427 nan 8.380 nan 0.000 0.424 383 S N 0.019 115.667 115.700 -0.087 0.000 2.383 383 S HA -0.052 4.418 4.470 -0.000 0.000 0.229 383 S C 1.975 176.513 174.600 -0.104 0.000 1.030 383 S CA 1.355 59.496 58.200 -0.098 0.000 1.002 383 S CB -0.304 62.851 63.200 -0.075 0.000 0.829 383 S HN 0.495 nan 8.310 nan 0.000 0.467 384 A N 1.145 123.923 122.820 -0.069 0.000 1.929 384 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 384 A C 2.159 179.696 177.584 -0.078 0.000 1.176 384 A CA 1.053 53.054 52.037 -0.060 0.000 0.628 384 A CB -0.631 18.350 19.000 -0.032 0.000 0.816 384 A HN 0.569 nan 8.150 nan 0.000 0.444 385 L N -0.839 120.329 121.223 -0.091 0.000 2.141 385 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 385 L C 2.913 179.561 176.870 -0.370 0.000 1.094 385 L CA 0.969 55.753 54.840 -0.094 0.000 0.763 385 L CB -0.447 41.614 42.059 0.003 0.000 0.908 385 L HN 0.439 nan 8.230 nan 0.000 0.437 386 A N -0.470 121.978 122.820 -0.619 0.000 2.119 386 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 386 A C 1.816 179.136 177.584 -0.438 0.000 1.152 386 A CA 0.999 52.447 52.037 -0.982 0.000 0.708 386 A CB -0.409 18.235 19.000 -0.592 0.000 0.805 386 A HN 0.533 nan 8.150 nan 0.000 0.460 387 G N -0.878 107.753 108.800 -0.280 0.000 2.141 387 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 387 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 387 G C 0.803 175.590 174.900 -0.188 0.000 0.982 387 G CA 0.693 45.627 45.100 -0.278 0.000 0.662 387 G HN 0.527 nan 8.290 nan 0.000 0.527 388 K N -0.332 119.978 120.400 -0.151 0.000 2.228 388 K HA 0.308 4.628 4.320 -0.000 0.000 0.202 388 K C 1.386 177.947 176.600 -0.065 0.000 1.051 388 K CA 1.452 57.681 56.287 -0.097 0.000 0.960 388 K CB 0.132 32.582 32.500 -0.084 0.000 0.743 388 K HN 0.838 nan 8.250 nan 0.000 0.458 389 I N -3.317 117.218 120.570 -0.058 0.000 3.102 389 I HA 0.277 4.447 4.170 -0.000 0.000 0.310 389 I C -0.447 175.649 176.117 -0.035 0.000 1.246 389 I CA -1.310 59.972 61.300 -0.030 0.000 0.979 389 I CB 2.055 40.062 38.000 0.012 0.000 1.267 389 I HN -0.189 nan 8.210 nan 0.000 0.451 390 S N 1.680 117.364 115.700 -0.027 0.000 2.603 390 S HA 0.453 4.923 4.470 -0.000 0.000 0.268 390 S C -2.012 172.580 174.600 -0.014 0.000 1.317 390 S CA -0.816 57.369 58.200 -0.026 0.000 1.012 390 S CB 0.992 64.177 63.200 -0.025 0.000 0.926 390 S HN 0.613 nan 8.310 nan 0.000 0.539 391 P HA -0.145 nan 4.420 nan 0.000 0.215 391 P C 1.736 179.038 177.300 0.004 0.000 1.153 391 P CA 1.240 64.344 63.100 0.007 0.000 0.853 391 P CB 0.026 31.736 31.700 0.017 0.000 0.788 392 Q N 0.319 120.115 119.800 -0.006 0.000 2.020 392 Q HA -0.223 4.116 4.340 -0.000 0.000 0.202 392 Q C 2.204 178.186 176.000 -0.030 0.000 0.982 392 Q CA 1.941 57.735 55.803 -0.015 0.000 0.838 392 Q CB -0.947 27.780 28.738 -0.019 0.000 0.899 392 Q HN 0.238 nan 8.270 nan 0.000 0.423 393 E N -1.090 119.092 120.200 -0.030 0.000 2.110 393 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 393 E C 1.698 178.257 176.600 -0.068 0.000 0.988 393 E CA 0.959 57.333 56.400 -0.043 0.000 0.804 393 E CB -0.217 29.468 29.700 -0.025 0.000 0.745 393 E HN 0.459 nan 8.360 nan 0.000 0.458 394 A N 0.679 123.480 122.820 -0.031 0.000 1.858 394 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 394 A C 2.020 179.530 177.584 -0.122 0.000 1.190 394 A CA 1.036 53.064 52.037 -0.014 0.000 0.617 394 A CB -0.480 18.552 19.000 0.053 0.000 0.827 394 A HN 0.284 nan 8.150 nan 0.000 0.443 395 L N 0.205 121.394 121.223 -0.058 0.000 2.217 395 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 395 L C 1.689 178.502 176.870 -0.094 0.000 1.107 395 L CA 1.562 56.379 54.840 -0.038 0.000 0.783 395 L CB -0.881 41.205 42.059 0.045 0.000 0.919 395 L HN 0.358 nan 8.230 nan 0.000 0.442 396 D N -0.782 119.549 120.400 -0.115 0.000 2.123 396 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 396 D C 2.147 178.330 176.300 -0.195 0.000 0.976 396 D CA 0.662 54.590 54.000 -0.119 0.000 0.831 396 D CB 0.232 40.976 40.800 -0.092 0.000 0.974 396 D HN 0.095 nan 8.370 nan 0.000 0.469 397 K N 1.079 121.285 120.400 -0.322 0.000 2.057 397 K HA 0.005 4.325 4.320 -0.000 0.000 0.206 397 K C 1.975 178.191 176.600 -0.639 0.000 1.050 397 K CA 0.822 56.804 56.287 -0.509 0.000 0.935 397 K CB -0.340 31.712 32.500 -0.748 0.000 0.715 397 K HN 0.016 nan 8.250 nan 0.000 0.439 398 A N 0.975 123.371 122.820 -0.706 0.000 1.902 398 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 398 A C 2.163 179.684 177.584 -0.105 0.000 1.181 398 A CA 1.894 53.730 52.037 -0.335 0.000 0.623 398 A CB -0.510 18.442 19.000 -0.079 0.000 0.818 398 A HN 0.350 nan 8.150 nan 0.000 0.443 399 Q N 0.380 120.120 119.800 -0.100 0.000 2.061 399 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 399 Q C 1.905 177.875 176.000 -0.049 0.000 0.984 399 Q CA 2.420 58.196 55.803 -0.045 0.000 0.846 399 Q CB -0.342 28.362 28.738 -0.058 0.000 0.902 399 Q HN 0.699 nan 8.270 nan 0.000 0.421 400 K N 0.022 120.372 120.400 -0.084 0.000 2.009 400 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 400 K C 2.223 178.804 176.600 -0.032 0.000 1.049 400 K CA 1.754 58.003 56.287 -0.063 0.000 0.929 400 K CB -0.229 32.224 32.500 -0.078 0.000 0.714 400 K HN 0.352 nan 8.250 nan 0.000 0.440 401 E N 0.387 120.573 120.200 -0.023 0.000 2.153 401 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 401 E C 2.039 178.665 176.600 0.042 0.000 0.988 401 E CA 0.861 57.276 56.400 0.024 0.000 0.811 401 E CB -0.073 29.675 29.700 0.080 0.000 0.746 401 E HN 0.349 nan 8.360 nan 0.000 0.466 402 A N 1.487 124.346 122.820 0.065 0.000 1.902 402 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 402 A C 1.908 179.541 177.584 0.081 0.000 1.181 402 A CA 1.496 53.609 52.037 0.127 0.000 0.623 402 A CB -0.405 18.714 19.000 0.197 0.000 0.818 402 A HN 0.176 nan 8.150 nan 0.000 0.443 403 E N -0.245 119.969 120.200 0.025 0.000 2.085 403 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 403 E C 2.012 178.600 176.600 -0.020 0.000 0.994 403 E CA 1.457 57.850 56.400 -0.011 0.000 0.801 403 E CB -0.225 29.456 29.700 -0.033 0.000 0.743 403 E HN 0.751 nan 8.360 nan 0.000 0.453 404 E N 0.610 120.798 120.200 -0.019 0.000 2.051 404 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 404 E C 2.134 178.702 176.600 -0.054 0.000 0.991 404 E CA 0.766 57.149 56.400 -0.030 0.000 0.799 404 E CB -0.091 29.598 29.700 -0.018 0.000 0.748 404 E HN 0.088 nan 8.360 nan 0.000 0.449 405 L N 0.739 121.930 121.223 -0.054 0.000 2.017 405 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 405 L C 2.177 178.886 176.870 -0.268 0.000 1.073 405 L CA 1.452 56.215 54.840 -0.129 0.000 0.745 405 L CB -0.353 41.660 42.059 -0.076 0.000 0.894 405 L HN -0.045 nan 8.230 nan 0.000 0.432 406 V N -0.301 119.510 119.914 -0.171 0.000 2.594 406 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 406 V C 2.423 178.441 176.094 -0.126 0.000 1.069 406 V CA 1.267 63.467 62.300 -0.167 0.000 1.082 406 V CB -0.934 30.927 31.823 0.064 0.000 0.680 406 V HN 0.368 nan 8.190 nan 0.000 0.469 407 K N 0.016 120.360 120.400 -0.093 0.000 2.616 407 K HA 0.020 4.339 4.320 -0.000 0.000 0.192 407 K C 0.674 177.230 176.600 -0.075 0.000 1.031 407 K CA 0.299 56.549 56.287 -0.062 0.000 1.004 407 K CB -0.563 31.909 32.500 -0.046 0.000 0.810 407 K HN 0.735 nan 8.250 nan 0.000 0.497 408 Q N 0.000 119.719 119.800 -0.134 0.000 2.315 408 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 408 Q CA 0.000 55.729 55.803 -0.123 0.000 1.022 408 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 408 Q HN 0.000 nan 8.270 nan 0.000 0.481