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 1f8r_1_A DATA FIRST_RESID 4 DATA SEQUENCE RNPLAEcFQE NDYEEFLEIA RNGLKATSNP KHVVIVGAGM AGLSAAYVLA DATA SEQUENCE GAGHQVTVLE ASERPGGRVR TYRNEEAGWY ANLGPMRLPE KHRIVREYIR DATA SEQUENCE KFDLRLNEFS QENDNAWYFI KNIRKKVGEV KKDPGLLKYP VKPSEAGKSA DATA SEQUENCE GQLYEESLGK VVEELKRTNc SYILNKYDTY STKEYLIKEG DLSPGAVDMI DATA SEQUENCE GDLLNEDSGY YVSFIESLKH DDIFAYEKRF DEIVDGMDKL PTAMYRDIQD DATA SEQUENCE KVHFNAQVIK IQQNDQKVTV VYETLSKETP SVTADYVIVC TTSRAVRLIK DATA SEQUENCE FNPPLLPKKA HALRSVHYRS GTKIFLTcTT KFWEDDGIHG GKSTTDLPSR DATA SEQUENCE FIYYPNHNFT NGVGVIIAYG IGDDANFFQA LDFKDCADIV FNDLSLIHQL DATA SEQUENCE PKKDIQSFcY PSVIQKWSLD KYAMGGITTF TPYQFQHFSD PLTASQGRIY DATA SEQUENCE FAGEYTAQAH GWIDSTIKSG LRAARDVNLA SEN 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 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.197 176.300 -0.172 0.000 0.893 4 R CA 0.000 56.110 56.100 0.017 0.000 0.921 4 R CB 0.000 30.282 30.300 -0.031 0.000 0.687 5 N N 4.122 122.403 118.700 -0.698 0.000 2.452 5 N HA 0.148 4.888 4.740 0.000 0.000 0.266 5 N C -1.079 174.237 175.510 -0.323 0.000 1.175 5 N CA -1.621 50.886 53.050 -0.905 0.000 0.945 5 N CB 1.679 39.437 38.487 -1.216 0.000 1.063 5 N HN 0.497 nan 8.380 nan 0.000 0.472 6 P HA -0.087 nan 4.420 nan 0.000 0.225 6 P C 0.753 177.992 177.300 -0.101 0.000 1.148 6 P CA 1.017 64.064 63.100 -0.089 0.000 0.779 6 P CB 0.409 32.090 31.700 -0.031 0.000 0.780 7 L N -1.549 119.610 121.223 -0.107 0.000 2.640 7 L HA 0.264 4.604 4.340 0.000 0.000 0.230 7 L C 2.517 179.291 176.870 -0.160 0.000 1.123 7 L CA 0.206 54.971 54.840 -0.124 0.000 0.900 7 L CB -0.671 41.381 42.059 -0.010 0.000 1.146 7 L HN -0.146 nan 8.230 nan 0.000 0.484 8 A N 0.872 123.618 122.820 -0.124 0.000 1.915 8 A HA -0.325 3.996 4.320 0.000 0.000 0.220 8 A C 2.182 179.688 177.584 -0.130 0.000 1.198 8 A CA 2.371 54.349 52.037 -0.098 0.000 0.647 8 A CB -0.494 18.412 19.000 -0.155 0.000 0.825 8 A HN 0.489 nan 8.150 nan 0.000 0.456 9 E N -1.124 118.979 120.200 -0.162 0.000 2.130 9 E HA -0.229 4.121 4.350 0.000 0.000 0.196 9 E C 1.861 178.324 176.600 -0.228 0.000 0.998 9 E CA 1.533 57.837 56.400 -0.160 0.000 0.806 9 E CB -0.297 29.322 29.700 -0.134 0.000 0.738 9 E HN 0.731 nan 8.360 nan 0.000 0.459 10 c N -0.182 118.176 118.600 -0.402 0.000 2.456 10 c HA -0.023 4.547 4.570 0.000 0.000 0.279 10 c C 0.952 174.625 174.090 -0.695 0.000 1.427 10 c CA -0.107 55.863 56.329 -0.599 0.000 1.778 10 c CB -0.915 41.081 42.510 -0.857 0.000 1.842 10 c HN 0.259 nan 8.230 nan 0.000 0.531 11 F N 0.922 120.790 119.950 -0.137 0.000 2.923 11 F HA 0.304 4.831 4.527 0.000 0.000 0.314 11 F C 0.669 176.372 175.800 -0.160 0.000 1.196 11 F CA -0.386 57.523 58.000 -0.152 0.000 1.320 11 F CB -0.618 38.286 39.000 -0.161 0.000 0.953 11 F HN 0.261 nan 8.300 nan 0.000 0.505 12 Q N 0.565 120.340 119.800 -0.042 0.000 2.230 12 Q HA 0.262 4.602 4.340 0.000 0.000 0.253 12 Q C 0.019 175.982 176.000 -0.062 0.000 0.919 12 Q CA -0.848 54.903 55.803 -0.088 0.000 0.908 12 Q CB 1.749 30.438 28.738 -0.081 0.000 1.245 12 Q HN 0.126 nan 8.270 nan 0.000 0.437 13 E N 1.937 122.073 120.200 -0.107 0.000 2.344 13 E HA -0.004 4.346 4.350 0.000 0.000 0.270 13 E C -0.375 176.303 176.600 0.130 0.000 1.021 13 E CA -0.106 56.304 56.400 0.018 0.000 0.887 13 E CB 0.486 30.240 29.700 0.089 0.000 0.997 13 E HN 0.431 nan 8.360 nan 0.000 0.429 14 N N 2.526 121.308 118.700 0.138 0.000 2.458 14 N HA -0.102 4.638 4.740 0.000 0.000 0.258 14 N C -0.541 175.140 175.510 0.285 0.000 1.219 14 N CA 0.290 53.440 53.050 0.167 0.000 0.902 14 N CB 0.333 38.909 38.487 0.148 0.000 1.076 14 N HN 0.273 nan 8.380 nan 0.000 0.455 15 D N 1.488 122.014 120.400 0.210 0.000 2.792 15 D HA -0.281 4.359 4.640 0.000 0.000 0.231 15 D C 0.331 176.799 176.300 0.280 0.000 1.160 15 D CA 0.503 54.603 54.000 0.166 0.000 0.697 15 D CB -1.379 39.459 40.800 0.063 0.000 1.070 15 D HN 0.594 nan 8.370 nan 0.000 0.426 16 Y N 0.850 121.250 120.300 0.167 0.000 2.151 16 Y HA -0.280 4.270 4.550 0.000 0.000 0.284 16 Y C 2.164 178.130 175.900 0.110 0.000 1.166 16 Y CA 2.195 60.394 58.100 0.165 0.000 1.163 16 Y CB 0.183 38.685 38.460 0.070 0.000 0.974 16 Y HN 0.021 nan 8.280 nan 0.000 0.511 17 E N 0.362 120.620 120.200 0.098 0.000 2.049 17 E HA -0.253 4.098 4.350 0.000 0.000 0.198 17 E C 2.102 178.640 176.600 -0.103 0.000 1.007 17 E CA 1.876 58.266 56.400 -0.017 0.000 0.809 17 E CB -0.345 29.356 29.700 0.002 0.000 0.749 17 E HN 0.664 nan 8.360 nan 0.000 0.450 18 E N -0.377 119.737 120.200 -0.145 0.000 2.058 18 E HA -0.173 4.177 4.350 0.000 0.000 0.194 18 E C 2.004 178.412 176.600 -0.321 0.000 0.997 18 E CA 1.087 57.322 56.400 -0.276 0.000 0.801 18 E CB -0.249 29.196 29.700 -0.425 0.000 0.746 18 E HN 0.186 nan 8.360 nan 0.000 0.450 19 F N 0.244 120.124 119.950 -0.116 0.000 2.259 19 F HA -0.092 4.436 4.527 0.000 0.000 0.298 19 F C 2.080 177.756 175.800 -0.206 0.000 1.088 19 F CA 0.422 58.341 58.000 -0.136 0.000 1.358 19 F CB -0.299 38.626 39.000 -0.125 0.000 1.040 19 F HN 0.072 nan 8.300 nan 0.000 0.505 20 L N 0.393 121.518 121.223 -0.163 0.000 2.141 20 L HA -0.122 4.218 4.340 0.000 0.000 0.209 20 L C 2.212 178.990 176.870 -0.154 0.000 1.094 20 L CA 1.759 56.459 54.840 -0.234 0.000 0.763 20 L CB -0.957 40.916 42.059 -0.309 0.000 0.908 20 L HN 0.050 nan 8.230 nan 0.000 0.437 21 E N 0.031 120.154 120.200 -0.128 0.000 2.106 21 E HA -0.180 4.170 4.350 0.000 0.000 0.192 21 E C 2.116 178.663 176.600 -0.088 0.000 0.984 21 E CA 1.693 58.028 56.400 -0.109 0.000 0.806 21 E CB -0.369 29.267 29.700 -0.107 0.000 0.750 21 E HN 0.619 nan 8.360 nan 0.000 0.458 22 I N 0.161 120.694 120.570 -0.061 0.000 2.315 22 I HA -0.230 3.940 4.170 0.000 0.000 0.248 22 I C 2.278 178.404 176.117 0.014 0.000 1.117 22 I CA 0.965 62.265 61.300 0.000 0.000 1.404 22 I CB -0.325 37.717 38.000 0.070 0.000 1.071 22 I HN 0.168 nan 8.210 nan 0.000 0.419 23 A N 0.832 123.628 122.820 -0.041 0.000 1.933 23 A HA -0.180 4.141 4.320 0.000 0.000 0.218 23 A C 2.388 179.752 177.584 -0.368 0.000 1.175 23 A CA 1.397 53.294 52.037 -0.234 0.000 0.628 23 A CB -0.433 18.370 19.000 -0.329 0.000 0.814 23 A HN 0.312 nan 8.150 nan 0.000 0.444 24 R N -0.585 119.772 120.500 -0.238 0.000 2.057 24 R HA 0.009 4.349 4.340 0.000 0.000 0.229 24 R C 0.711 176.933 176.300 -0.129 0.000 1.136 24 R CA 1.413 57.390 56.100 -0.204 0.000 0.952 24 R CB -0.159 30.049 30.300 -0.154 0.000 0.848 24 R HN 0.469 nan 8.270 nan 0.000 0.430 25 N N -0.375 118.274 118.700 -0.085 0.000 2.187 25 N HA 0.138 4.878 4.740 0.000 0.000 0.212 25 N C 0.249 175.745 175.510 -0.024 0.000 1.152 25 N CA 0.728 53.746 53.050 -0.052 0.000 0.872 25 N CB 1.655 40.110 38.487 -0.053 0.000 1.025 25 N HN 0.305 nan 8.380 nan 0.000 0.514 26 G N 1.159 109.961 108.800 0.002 0.000 2.828 26 G HA2 -0.245 3.716 3.960 0.000 0.000 0.463 26 G HA3 -0.245 3.716 3.960 0.000 0.000 0.463 26 G C -0.494 174.416 174.900 0.017 0.000 1.394 26 G CA -0.687 44.435 45.100 0.036 0.000 0.862 26 G HN 0.149 nan 8.290 nan 0.000 0.540 27 L N 0.577 121.817 121.223 0.028 0.000 2.475 27 L HA 0.623 4.963 4.340 0.000 0.000 0.253 27 L C 1.602 178.469 176.870 -0.005 0.000 1.198 27 L CA -0.103 54.745 54.840 0.014 0.000 0.814 27 L CB 0.254 42.333 42.059 0.034 0.000 1.134 27 L HN 1.109 nan 8.230 nan 0.000 0.478 28 K N 1.639 122.032 120.400 -0.012 0.000 2.412 28 K HA 0.537 4.857 4.320 0.000 0.000 0.284 28 K C 0.190 176.781 176.600 -0.016 0.000 1.046 28 K CA 0.133 56.408 56.287 -0.019 0.000 0.999 28 K CB -0.134 32.353 32.500 -0.022 0.000 0.941 28 K HN 0.717 nan 8.250 nan 0.000 0.474 29 A N 2.594 125.397 122.820 -0.030 0.000 2.587 29 A HA 0.321 4.641 4.320 0.000 0.000 0.235 29 A C 0.852 178.401 177.584 -0.058 0.000 1.044 29 A CA 0.928 52.936 52.037 -0.049 0.000 0.754 29 A CB -0.200 18.768 19.000 -0.052 0.000 0.968 29 A HN 0.964 nan 8.150 nan 0.000 0.509 30 T N 1.145 115.634 114.554 -0.110 0.000 2.904 30 T HA 0.520 4.870 4.350 0.000 0.000 0.290 30 T C 1.144 175.775 174.700 -0.115 0.000 1.018 30 T CA 0.280 62.303 62.100 -0.128 0.000 1.075 30 T CB 0.717 69.386 68.868 -0.332 0.000 0.986 30 T HN 1.150 nan 8.240 nan 0.000 0.523 31 S N 2.909 118.569 115.700 -0.067 0.000 2.554 31 S HA 0.325 4.795 4.470 0.000 0.000 0.226 31 S C 0.665 175.242 174.600 -0.038 0.000 0.980 31 S CA -0.402 57.768 58.200 -0.049 0.000 0.939 31 S CB 0.021 63.205 63.200 -0.026 0.000 0.832 31 S HN 0.574 nan 8.310 nan 0.000 0.486 32 N N 1.690 120.363 118.700 -0.047 0.000 2.751 32 N HA 0.329 5.069 4.740 0.000 0.000 0.234 32 N C -3.470 172.032 175.510 -0.013 0.000 1.403 32 N CA -1.378 51.668 53.050 -0.007 0.000 0.747 32 N CB 1.288 39.800 38.487 0.041 0.000 1.326 32 N HN -0.120 nan 8.380 nan 0.000 0.532 33 P HA 0.047 nan 4.420 nan 0.000 0.262 33 P C -0.422 176.961 177.300 0.138 0.000 1.182 33 P CA 0.446 63.488 63.100 -0.098 0.000 0.761 33 P CB 0.646 32.294 31.700 -0.088 0.000 0.795 34 K N 1.816 122.471 120.400 0.426 0.000 2.350 34 K HA 0.410 4.730 4.320 0.000 0.000 0.241 34 K C -0.686 176.124 176.600 0.349 0.000 0.994 34 K CA -0.878 55.637 56.287 0.380 0.000 0.839 34 K CB 1.204 33.957 32.500 0.422 0.000 1.244 34 K HN 0.461 nan 8.250 nan 0.000 0.443 35 H N 0.671 119.827 119.070 0.143 0.000 2.519 35 H HA 0.460 5.016 4.556 0.000 0.000 0.316 35 H C -1.272 174.107 175.328 0.084 0.000 1.065 35 H CA -0.658 55.442 56.048 0.087 0.000 1.264 35 H CB 0.399 30.191 29.762 0.049 0.000 1.413 35 H HN 0.121 nan 8.280 nan 0.000 0.465 36 V N 6.425 126.411 119.914 0.120 0.000 2.540 36 V HA 0.297 4.417 4.120 0.000 0.000 0.302 36 V C -0.323 175.691 176.094 -0.133 0.000 1.035 36 V CA -0.927 61.346 62.300 -0.046 0.000 0.873 36 V CB 1.866 33.658 31.823 -0.052 0.000 0.992 36 V HN 0.563 nan 8.190 nan 0.000 0.428 37 V N 5.676 125.482 119.914 -0.181 0.000 2.427 37 V HA 0.488 4.608 4.120 0.000 0.000 0.286 37 V C -0.265 175.766 176.094 -0.105 0.000 1.034 37 V CA -0.481 61.722 62.300 -0.161 0.000 0.893 37 V CB 1.698 33.419 31.823 -0.170 0.000 0.982 37 V HN 0.577 nan 8.190 nan 0.000 0.452 38 I N 5.416 125.922 120.570 -0.107 0.000 2.362 38 I HA 0.348 4.518 4.170 0.000 0.000 0.289 38 I C -0.141 175.917 176.117 -0.098 0.000 0.994 38 I CA -0.570 60.677 61.300 -0.088 0.000 1.158 38 I CB 1.720 39.673 38.000 -0.079 0.000 1.315 38 I HN 0.239 nan 8.210 nan 0.000 0.451 39 V N 5.417 125.290 119.914 -0.068 0.000 2.334 39 V HA 0.749 4.869 4.120 0.000 0.000 0.267 39 V C 0.592 176.666 176.094 -0.035 0.000 1.040 39 V CA -0.290 61.975 62.300 -0.058 0.000 0.866 39 V CB 0.489 32.298 31.823 -0.022 0.000 1.019 39 V HN 1.066 nan 8.190 nan 0.000 0.468 40 G N 4.155 112.915 108.800 -0.067 0.000 3.233 40 G HA2 0.280 4.240 3.960 0.000 0.000 0.686 40 G HA3 0.280 4.240 3.960 0.000 0.000 0.686 40 G C -0.209 174.658 174.900 -0.055 0.000 1.153 40 G CA -0.353 44.718 45.100 -0.050 0.000 0.853 40 G HN 1.431 nan 8.290 nan 0.000 0.582 41 A N 1.775 124.557 122.820 -0.063 0.000 3.159 41 A HA 0.778 5.098 4.320 0.000 0.000 0.301 41 A C 1.320 178.893 177.584 -0.017 0.000 1.271 41 A CA 1.059 53.067 52.037 -0.048 0.000 0.998 41 A CB -0.244 18.713 19.000 -0.071 0.000 1.101 41 A HN 2.081 nan 8.150 nan 0.000 0.610 42 G N -1.182 107.613 108.800 -0.010 0.000 2.525 42 G HA2 0.416 4.376 3.960 0.000 0.000 0.287 42 G HA3 0.416 4.376 3.960 0.000 0.000 0.287 42 G C 0.968 175.858 174.900 -0.017 0.000 1.350 42 G CA -0.495 44.604 45.100 -0.003 0.000 1.039 42 G HN 0.108 nan 8.290 nan 0.000 0.513 43 M N 0.091 119.676 119.600 -0.024 0.000 2.213 43 M HA -0.069 4.411 4.480 0.000 0.000 0.263 43 M C 2.804 179.073 176.300 -0.052 0.000 1.062 43 M CA 1.469 56.741 55.300 -0.047 0.000 1.105 43 M CB -1.578 30.997 32.600 -0.041 0.000 1.385 43 M HN 0.589 nan 8.290 nan 0.000 0.417 44 A N 0.022 122.826 122.820 -0.027 0.000 1.873 44 A HA 0.037 4.357 4.320 0.000 0.000 0.215 44 A C 2.452 180.022 177.584 -0.024 0.000 1.186 44 A CA 1.895 53.916 52.037 -0.027 0.000 0.616 44 A CB -1.389 17.607 19.000 -0.007 0.000 0.823 44 A HN 0.484 nan 8.150 nan 0.000 0.442 45 G N -0.287 108.504 108.800 -0.015 0.000 2.402 45 G HA2 -0.120 3.840 3.960 0.000 0.000 0.216 45 G HA3 -0.120 3.840 3.960 0.000 0.000 0.216 45 G C 1.568 176.456 174.900 -0.020 0.000 1.162 45 G CA 0.954 46.043 45.100 -0.019 0.000 0.777 45 G HN 0.403 nan 8.290 nan 0.000 0.539 46 L N 0.793 122.002 121.223 -0.023 0.000 2.083 46 L HA -0.095 4.245 4.340 0.000 0.000 0.209 46 L C 3.202 180.072 176.870 -0.001 0.000 1.083 46 L CA 1.201 56.036 54.840 -0.008 0.000 0.752 46 L CB -0.323 41.719 42.059 -0.028 0.000 0.899 46 L HN 0.187 nan 8.230 nan 0.000 0.433 47 S N -0.154 115.511 115.700 -0.059 0.000 2.355 47 S HA -0.146 4.324 4.470 0.000 0.000 0.222 47 S C 2.199 176.827 174.600 0.046 0.000 1.031 47 S CA 1.160 59.315 58.200 -0.074 0.000 0.993 47 S CB -0.284 62.834 63.200 -0.136 0.000 0.859 47 S HN 0.497 nan 8.310 nan 0.000 0.453 48 A N 1.693 124.522 122.820 0.016 0.000 1.877 48 A HA 0.071 4.391 4.320 0.000 0.000 0.216 48 A C 2.364 179.964 177.584 0.027 0.000 1.186 48 A CA 1.795 53.840 52.037 0.013 0.000 0.620 48 A CB -1.150 17.835 19.000 -0.024 0.000 0.822 48 A HN 0.515 nan 8.150 nan 0.000 0.443 49 A N -1.625 121.213 122.820 0.030 0.000 1.902 49 A HA -0.104 4.216 4.320 0.000 0.000 0.217 49 A C 2.145 179.776 177.584 0.079 0.000 1.181 49 A CA 1.672 53.728 52.037 0.032 0.000 0.623 49 A CB -0.852 18.159 19.000 0.018 0.000 0.818 49 A HN 0.706 nan 8.150 nan 0.000 0.443 50 Y N 1.124 121.429 120.300 0.008 0.000 2.097 50 Y HA -0.251 4.299 4.550 0.000 0.000 0.282 50 Y C 2.526 178.471 175.900 0.076 0.000 1.152 50 Y CA 2.636 60.767 58.100 0.051 0.000 1.136 50 Y CB -0.298 38.204 38.460 0.069 0.000 0.975 50 Y HN 0.205 nan 8.280 nan 0.000 0.498 51 V N -1.764 118.261 119.914 0.185 0.000 2.548 51 V HA -0.184 3.936 4.120 0.000 0.000 0.249 51 V C 2.112 178.225 176.094 0.032 0.000 1.055 51 V CA 1.718 64.079 62.300 0.103 0.000 1.065 51 V CB -0.980 30.953 31.823 0.184 0.000 0.681 51 V HN 0.449 nan 8.190 nan 0.000 0.462 52 L N 0.605 121.847 121.223 0.031 0.000 2.109 52 L HA 0.033 4.373 4.340 0.000 0.000 0.207 52 L C 3.000 179.916 176.870 0.076 0.000 1.086 52 L CA 1.466 56.336 54.840 0.050 0.000 0.760 52 L CB -0.757 41.285 42.059 -0.027 0.000 0.910 52 L HN 0.418 nan 8.230 nan 0.000 0.437 53 A N 0.262 123.081 122.820 -0.002 0.000 1.898 53 A HA -0.097 4.224 4.320 0.000 0.000 0.216 53 A C 2.377 179.913 177.584 -0.081 0.000 1.181 53 A CA 1.585 53.602 52.037 -0.034 0.000 0.620 53 A CB -1.194 17.762 19.000 -0.073 0.000 0.819 53 A HN 0.421 nan 8.150 nan 0.000 0.442 54 G N -0.639 108.070 108.800 -0.152 0.000 2.448 54 G HA2 0.054 4.014 3.960 0.000 0.000 0.219 54 G HA3 0.054 4.014 3.960 0.000 0.000 0.219 54 G C 1.526 176.378 174.900 -0.080 0.000 1.127 54 G CA 1.182 46.186 45.100 -0.160 0.000 0.766 54 G HN 0.807 nan 8.290 nan 0.000 0.552 55 A N -0.579 122.223 122.820 -0.030 0.000 2.167 55 A HA 0.454 4.774 4.320 0.000 0.000 0.214 55 A C 2.007 179.535 177.584 -0.093 0.000 1.151 55 A CA 1.510 53.537 52.037 -0.017 0.000 0.735 55 A CB -0.276 18.770 19.000 0.077 0.000 0.802 55 A HN 1.549 nan 8.150 nan 0.000 0.467 56 G N -2.133 106.611 108.800 -0.093 0.000 2.192 56 G HA2 -0.160 3.800 3.960 0.000 0.000 0.193 56 G HA3 -0.160 3.800 3.960 0.000 0.000 0.193 56 G C 0.015 174.803 174.900 -0.188 0.000 0.999 56 G CA 0.151 45.159 45.100 -0.153 0.000 0.659 56 G HN 0.685 nan 8.290 nan 0.000 0.503 57 H N 0.251 119.307 119.070 -0.023 0.000 2.546 57 H HA 0.586 5.142 4.556 0.000 0.000 0.365 57 H C 0.530 175.860 175.328 0.004 0.000 1.220 57 H CA 0.172 56.220 56.048 0.001 0.000 1.386 57 H CB 0.779 30.546 29.762 0.007 0.000 1.510 57 H HN 0.227 nan 8.280 nan 0.000 0.591 58 Q N 2.204 122.108 119.800 0.175 0.000 2.322 58 Q HA 0.358 4.698 4.340 0.000 0.000 0.256 58 Q C -1.164 174.947 176.000 0.186 0.000 0.960 58 Q CA -0.806 55.051 55.803 0.091 0.000 0.934 58 Q CB 0.601 29.325 28.738 -0.023 0.000 1.200 58 Q HN 0.533 nan 8.270 nan 0.000 0.435 59 V N 1.376 121.353 119.914 0.105 0.000 2.628 59 V HA 0.743 4.864 4.120 0.000 0.000 0.306 59 V C -0.603 175.517 176.094 0.045 0.000 1.045 59 V CA -0.451 61.903 62.300 0.090 0.000 0.905 59 V CB 2.067 33.904 31.823 0.024 0.000 0.997 59 V HN 0.681 nan 8.190 nan 0.000 0.436 60 T N 4.031 118.598 114.554 0.021 0.000 2.847 60 T HA 0.569 4.919 4.350 0.000 0.000 0.291 60 T C -0.554 174.026 174.700 -0.199 0.000 0.998 60 T CA -0.313 61.721 62.100 -0.110 0.000 0.967 60 T CB 1.322 70.183 68.868 -0.011 0.000 0.954 60 T HN 0.740 nan 8.240 nan 0.000 0.441 61 V N 5.423 125.168 119.914 -0.281 0.000 2.394 61 V HA 0.483 4.603 4.120 0.000 0.000 0.282 61 V C -0.225 175.656 176.094 -0.355 0.000 1.031 61 V CA -0.796 61.350 62.300 -0.257 0.000 0.881 61 V CB 1.230 32.934 31.823 -0.200 0.000 0.982 61 V HN 0.726 nan 8.190 nan 0.000 0.451 62 L N 4.433 125.474 121.223 -0.302 0.000 2.294 62 L HA 0.626 4.966 4.340 0.000 0.000 0.283 62 L C -0.301 176.419 176.870 -0.251 0.000 1.015 62 L CA -0.418 54.217 54.840 -0.342 0.000 0.831 62 L CB 1.589 43.417 42.059 -0.384 0.000 1.217 62 L HN 0.617 nan 8.230 nan 0.000 0.420 63 E N 2.286 122.333 120.200 -0.256 0.000 2.176 63 E HA 0.510 4.860 4.350 0.000 0.000 0.267 63 E C 0.356 176.870 176.600 -0.143 0.000 0.893 63 E CA -0.303 55.988 56.400 -0.182 0.000 0.761 63 E CB 2.064 31.666 29.700 -0.163 0.000 1.133 63 E HN 0.560 nan 8.360 nan 0.000 0.409 64 A N 3.663 126.347 122.820 -0.226 0.000 1.902 64 A HA -0.040 4.280 4.320 0.000 0.000 0.217 64 A C 1.256 178.643 177.584 -0.329 0.000 1.181 64 A CA 1.562 53.422 52.037 -0.294 0.000 0.623 64 A CB -0.778 17.933 19.000 -0.481 0.000 0.818 64 A HN 0.708 nan 8.150 nan 0.000 0.443 65 S N -0.238 115.185 115.700 -0.462 0.000 2.652 65 S HA 0.321 4.792 4.470 0.000 0.000 0.267 65 S C 0.469 175.070 174.600 0.001 0.000 1.201 65 S CA 0.242 58.324 58.200 -0.198 0.000 0.996 65 S CB 0.570 63.670 63.200 -0.166 0.000 1.054 65 S HN 0.376 nan 8.310 nan 0.000 0.561 66 E N -0.323 119.846 120.200 -0.053 0.000 2.465 66 E HA 0.170 4.520 4.350 0.000 0.000 0.191 66 E C 0.561 176.751 176.600 -0.683 0.000 1.053 66 E CA -0.094 56.178 56.400 -0.213 0.000 0.869 66 E CB -0.488 29.113 29.700 -0.165 0.000 0.977 66 E HN 0.695 nan 8.360 nan 0.000 0.483 67 R N -0.471 119.732 120.500 -0.495 0.000 2.836 67 R HA 0.635 4.976 4.340 0.000 0.000 0.269 67 R C -3.035 173.153 176.300 -0.187 0.000 1.010 67 R CA -2.057 53.675 56.100 -0.614 0.000 0.930 67 R CB 1.410 31.513 30.300 -0.328 0.000 1.218 67 R HN -0.177 nan 8.270 nan 0.000 0.473 68 P HA 0.303 nan 4.420 nan 0.000 0.290 68 P C 0.015 177.296 177.300 -0.032 0.000 1.283 68 P CA 0.150 63.251 63.100 0.002 0.000 0.869 68 P CB 1.913 33.559 31.700 -0.091 0.000 1.100 69 G N 0.282 109.079 108.800 -0.004 0.000 2.428 69 G HA2 0.018 3.978 3.960 0.000 0.000 0.199 69 G HA3 0.018 3.978 3.960 0.000 0.000 0.199 69 G C 0.678 175.588 174.900 0.016 0.000 1.005 69 G CA 0.429 45.528 45.100 -0.002 0.000 0.671 69 G HN 0.901 nan 8.290 nan 0.000 0.485 70 G N 0.619 109.442 108.800 0.039 0.000 2.629 70 G HA2 -0.394 3.566 3.960 0.000 0.000 0.313 70 G HA3 -0.394 3.566 3.960 0.000 0.000 0.313 70 G C 0.982 175.941 174.900 0.098 0.000 1.217 70 G CA 1.475 46.616 45.100 0.068 0.000 0.994 70 G HN 1.083 nan 8.290 nan 0.000 0.549 71 R N -0.194 120.291 120.500 -0.026 0.000 2.280 71 R HA 0.202 4.542 4.340 0.000 0.000 0.207 71 R C 0.862 177.066 176.300 -0.161 0.000 1.043 71 R CA 0.618 56.553 56.100 -0.274 0.000 1.006 71 R CB -0.043 29.924 30.300 -0.555 0.000 0.885 71 R HN 0.240 nan 8.270 nan 0.000 0.467 72 V N 2.417 122.306 119.914 -0.042 0.000 2.352 72 V HA 0.146 4.267 4.120 0.000 0.000 0.253 72 V C 0.121 176.257 176.094 0.070 0.000 1.083 72 V CA 0.035 62.334 62.300 -0.002 0.000 0.993 72 V CB 0.238 32.054 31.823 -0.011 0.000 1.111 72 V HN 0.155 nan 8.190 nan 0.000 0.490 73 R N 3.028 123.619 120.500 0.151 0.000 2.621 73 R HA 0.644 4.985 4.340 0.000 0.000 0.284 73 R C -1.042 175.347 176.300 0.149 0.000 0.998 73 R CA -0.397 55.806 56.100 0.172 0.000 0.895 73 R CB 2.177 32.662 30.300 0.309 0.000 1.195 73 R HN 0.571 nan 8.270 nan 0.000 0.450 74 T N 3.404 118.005 114.554 0.077 0.000 2.841 74 T HA 0.200 4.550 4.350 0.000 0.000 0.285 74 T C -1.459 173.276 174.700 0.058 0.000 0.991 74 T CA -0.395 61.751 62.100 0.076 0.000 0.966 74 T CB 0.705 69.562 68.868 -0.017 0.000 0.962 74 T HN 0.440 nan 8.240 nan 0.000 0.438 75 Y N 3.882 124.156 120.300 -0.043 0.000 2.336 75 Y HA 0.519 5.069 4.550 0.000 0.000 0.335 75 Y C 0.319 176.130 175.900 -0.149 0.000 1.046 75 Y CA -0.447 57.584 58.100 -0.115 0.000 1.198 75 Y CB 0.493 38.858 38.460 -0.159 0.000 1.182 75 Y HN 0.463 nan 8.280 nan 0.000 0.502 76 R N 4.788 124.885 120.500 -0.671 0.000 2.670 76 R HA 0.270 4.610 4.340 0.000 0.000 0.289 76 R C -1.240 174.548 176.300 -0.852 0.000 0.965 76 R CA -0.940 54.812 56.100 -0.579 0.000 0.899 76 R CB 1.672 31.767 30.300 -0.342 0.000 1.173 76 R HN 0.791 nan 8.270 nan 0.000 0.456 77 N N 1.041 119.231 118.700 -0.849 0.000 2.762 77 N HA 0.073 4.813 4.740 0.000 0.000 0.252 77 N C 0.793 175.998 175.510 -0.508 0.000 1.269 77 N CA 0.155 52.749 53.050 -0.760 0.000 0.799 77 N CB 0.948 38.764 38.487 -1.118 0.000 1.173 77 N HN 0.750 nan 8.380 nan 0.000 0.516 78 E N 1.309 121.310 120.200 -0.330 0.000 2.070 78 E HA -0.276 4.074 4.350 0.000 0.000 0.197 78 E C 1.487 178.002 176.600 -0.143 0.000 1.004 78 E CA 1.376 57.655 56.400 -0.201 0.000 0.805 78 E CB -0.512 29.098 29.700 -0.150 0.000 0.744 78 E HN 0.622 nan 8.360 nan 0.000 0.451 79 E N 0.142 120.267 120.200 -0.126 0.000 2.023 79 E HA -0.083 4.267 4.350 0.000 0.000 0.196 79 E C 2.360 178.949 176.600 -0.019 0.000 1.003 79 E CA 1.574 57.939 56.400 -0.058 0.000 0.809 79 E CB -0.675 28.999 29.700 -0.043 0.000 0.755 79 E HN 0.515 nan 8.360 nan 0.000 0.449 80 A N -0.314 122.497 122.820 -0.016 0.000 2.172 80 A HA 0.070 4.390 4.320 0.000 0.000 0.216 80 A C 1.556 179.233 177.584 0.155 0.000 1.154 80 A CA 1.500 53.622 52.037 0.141 0.000 0.701 80 A CB -0.657 18.562 19.000 0.365 0.000 0.789 80 A HN 0.448 nan 8.150 nan 0.000 0.465 81 G N -1.744 107.034 108.800 -0.037 0.000 2.225 81 G HA2 -0.224 3.736 3.960 0.000 0.000 0.264 81 G HA3 -0.224 3.736 3.960 0.000 0.000 0.264 81 G C -0.117 174.665 174.900 -0.197 0.000 1.060 81 G CA 0.405 45.476 45.100 -0.049 0.000 0.833 81 G HN 1.433 nan 8.290 nan 0.000 0.498 82 W N -1.576 119.458 121.300 -0.443 0.000 3.074 82 W HA 0.734 5.394 4.660 0.000 0.000 0.332 82 W C -0.759 175.540 176.519 -0.368 0.000 1.253 82 W CA -1.626 55.141 57.345 -0.963 0.000 1.180 82 W CB 0.648 29.630 29.460 -0.796 0.000 1.445 82 W HN 0.567 nan 8.180 nan 0.000 0.573 83 Y N -0.188 120.136 120.300 0.041 0.000 2.644 83 Y HA 0.880 5.430 4.550 0.000 0.000 0.338 83 Y C -1.542 174.693 175.900 0.558 0.000 1.119 83 Y CA -1.871 56.336 58.100 0.178 0.000 1.060 83 Y CB 1.294 39.815 38.460 0.101 0.000 1.294 83 Y HN 0.839 nan 8.280 nan 0.000 0.472 84 A N 2.248 125.445 122.820 0.629 0.000 2.437 84 A HA 0.492 4.812 4.320 0.000 0.000 0.293 84 A C -1.787 175.981 177.584 0.308 0.000 1.038 84 A CA -1.033 51.240 52.037 0.394 0.000 0.708 84 A CB 0.840 19.811 19.000 -0.050 0.000 1.251 84 A HN 0.720 nan 8.150 nan 0.000 0.409 85 N N 2.772 121.726 118.700 0.423 0.000 2.405 85 N HA 0.198 4.938 4.740 0.000 0.000 0.260 85 N C 1.032 176.725 175.510 0.305 0.000 1.152 85 N CA -0.100 53.141 53.050 0.318 0.000 0.948 85 N CB 1.167 39.843 38.487 0.315 0.000 1.111 85 N HN 0.665 nan 8.380 nan 0.000 0.485 86 L N 0.655 122.027 121.223 0.248 0.000 2.240 86 L HA 0.069 4.409 4.340 0.000 0.000 0.211 86 L C 1.750 178.983 176.870 0.606 0.000 1.106 86 L CA 0.781 55.843 54.840 0.370 0.000 0.793 86 L CB -0.133 42.065 42.059 0.233 0.000 0.927 86 L HN 0.509 nan 8.230 nan 0.000 0.446 87 G N -0.601 108.458 108.800 0.431 0.000 2.887 87 G HA2 0.262 4.222 3.960 0.000 0.000 0.210 87 G HA3 0.262 4.222 3.960 0.000 0.000 0.210 87 G C -2.328 172.544 174.900 -0.046 0.000 1.964 87 G CA -0.203 44.987 45.100 0.151 0.000 0.738 87 G HN 0.003 nan 8.290 nan 0.000 0.790 88 P HA 0.159 nan 4.420 nan 0.000 0.266 88 P C 0.367 177.629 177.300 -0.063 0.000 1.193 88 P CA 0.902 63.938 63.100 -0.106 0.000 0.770 88 P CB 0.625 32.288 31.700 -0.062 0.000 0.836 89 M N 1.191 120.709 119.600 -0.137 0.000 2.109 89 M HA 0.268 4.748 4.480 0.000 0.000 0.372 89 M C -0.155 175.951 176.300 -0.323 0.000 0.840 89 M CA -0.095 55.114 55.300 -0.151 0.000 1.128 89 M CB 0.935 33.412 32.600 -0.206 0.000 2.136 89 M HN 0.128 nan 8.290 nan 0.000 0.723 90 R N 0.982 121.313 120.500 -0.283 0.000 2.680 90 R HA 0.816 5.156 4.340 0.000 0.000 0.269 90 R C -1.979 174.402 176.300 0.136 0.000 1.026 90 R CA -0.896 55.073 56.100 -0.219 0.000 0.889 90 R CB 1.715 31.647 30.300 -0.613 0.000 1.241 90 R HN 0.236 nan 8.270 nan 0.000 0.463 91 L N 1.369 122.680 121.223 0.146 0.000 2.406 91 L HA 0.516 4.856 4.340 0.000 0.000 0.272 91 L C -2.524 174.204 176.870 -0.236 0.000 0.980 91 L CA -2.512 52.374 54.840 0.076 0.000 0.831 91 L CB 2.560 44.664 42.059 0.076 0.000 1.253 91 L HN 0.392 nan 8.230 nan 0.000 0.406 92 P HA 0.027 nan 4.420 nan 0.000 0.271 92 P C 0.419 177.288 177.300 -0.719 0.000 1.216 92 P CA -0.132 62.214 63.100 -1.257 0.000 0.776 92 P CB 0.877 31.600 31.700 -1.628 0.000 0.881 93 E N 3.036 122.871 120.200 -0.609 0.000 2.204 93 E HA -0.244 4.107 4.350 0.000 0.000 0.195 93 E C 1.841 178.296 176.600 -0.242 0.000 0.990 93 E CA 1.586 57.795 56.400 -0.317 0.000 0.821 93 E CB -0.202 29.351 29.700 -0.245 0.000 0.750 93 E HN 0.327 nan 8.360 nan 0.000 0.477 94 K N 0.566 120.768 120.400 -0.329 0.000 2.439 94 K HA -0.068 4.252 4.320 0.000 0.000 0.197 94 K C 0.286 176.870 176.600 -0.026 0.000 1.041 94 K CA 1.093 57.264 56.287 -0.193 0.000 0.970 94 K CB -0.910 31.440 32.500 -0.250 0.000 0.773 94 K HN 0.428 nan 8.250 nan 0.000 0.479 95 H N 0.846 119.802 119.070 -0.189 0.000 3.118 95 H HA 0.082 4.638 4.556 0.000 0.000 0.266 95 H C 0.902 176.244 175.328 0.023 0.000 1.465 95 H CA -0.885 55.118 56.048 -0.075 0.000 1.460 95 H CB 0.646 30.332 29.762 -0.125 0.000 1.661 95 H HN 0.238 nan 8.280 nan 0.000 0.516 96 R N 1.837 122.476 120.500 0.232 0.000 2.200 96 R HA -0.004 4.336 4.340 0.000 0.000 0.208 96 R C 2.110 178.443 176.300 0.055 0.000 1.033 96 R CA 0.417 56.592 56.100 0.126 0.000 1.000 96 R CB -0.415 29.961 30.300 0.127 0.000 0.906 96 R HN 0.639 nan 8.270 nan 0.000 0.462 97 I N 0.095 120.707 120.570 0.070 0.000 2.202 97 I HA -0.190 3.980 4.170 0.000 0.000 0.242 97 I C 2.511 178.695 176.117 0.112 0.000 1.091 97 I CA 1.531 62.833 61.300 0.003 0.000 1.368 97 I CB -0.499 37.495 38.000 -0.010 0.000 1.058 97 I HN 0.122 nan 8.210 nan 0.000 0.410 98 V N 1.133 121.135 119.914 0.147 0.000 2.427 98 V HA -0.254 3.866 4.120 0.000 0.000 0.248 98 V C 2.559 178.736 176.094 0.140 0.000 1.051 98 V CA 1.837 64.245 62.300 0.180 0.000 1.048 98 V CB -0.468 31.447 31.823 0.153 0.000 0.666 98 V HN 0.339 nan 8.190 nan 0.000 0.456 99 R N -0.233 120.317 120.500 0.084 0.000 2.115 99 R HA -0.156 4.184 4.340 0.000 0.000 0.230 99 R C 2.247 178.536 176.300 -0.017 0.000 1.111 99 R CA 1.545 57.668 56.100 0.039 0.000 0.976 99 R CB -0.254 30.058 30.300 0.020 0.000 0.870 99 R HN 0.628 nan 8.270 nan 0.000 0.445 100 E N 0.068 120.224 120.200 -0.073 0.000 2.072 100 E HA -0.191 4.160 4.350 0.000 0.000 0.191 100 E C 1.288 177.701 176.600 -0.310 0.000 0.985 100 E CA 1.537 57.811 56.400 -0.210 0.000 0.801 100 E CB -0.244 29.272 29.700 -0.308 0.000 0.750 100 E HN 0.338 nan 8.360 nan 0.000 0.452 101 Y N 0.232 120.436 120.300 -0.160 0.000 2.293 101 Y HA 0.005 4.556 4.550 0.000 0.000 0.291 101 Y C 2.203 177.983 175.900 -0.201 0.000 1.137 101 Y CA 1.161 59.081 58.100 -0.299 0.000 1.202 101 Y CB -0.168 38.219 38.460 -0.122 0.000 0.990 101 Y HN 0.077 nan 8.280 nan 0.000 0.537 102 I N -0.288 120.346 120.570 0.107 0.000 2.226 102 I HA -0.350 3.820 4.170 0.000 0.000 0.245 102 I C 2.264 178.409 176.117 0.046 0.000 1.100 102 I CA 1.475 62.849 61.300 0.124 0.000 1.374 102 I CB -0.309 37.748 38.000 0.095 0.000 1.057 102 I HN 0.204 nan 8.210 nan 0.000 0.413 103 R N 0.584 121.062 120.500 -0.037 0.000 2.073 103 R HA -0.156 4.184 4.340 0.000 0.000 0.229 103 R C 2.321 178.559 176.300 -0.103 0.000 1.120 103 R CA 1.003 57.070 56.100 -0.056 0.000 0.967 103 R CB -0.399 29.855 30.300 -0.076 0.000 0.862 103 R HN 0.283 nan 8.270 nan 0.000 0.436 104 K N 0.527 120.780 120.400 -0.246 0.000 2.113 104 K HA -0.144 4.176 4.320 0.000 0.000 0.208 104 K C 0.952 177.381 176.600 -0.285 0.000 1.047 104 K CA 1.408 57.479 56.287 -0.361 0.000 0.928 104 K CB 0.012 32.120 32.500 -0.654 0.000 0.716 104 K HN 0.057 nan 8.250 nan 0.000 0.446 105 F N 0.894 120.863 119.950 0.031 0.000 2.732 105 F HA 0.116 4.643 4.527 0.000 0.000 0.303 105 F C 0.180 175.993 175.800 0.022 0.000 1.110 105 F CA -0.081 57.937 58.000 0.030 0.000 1.355 105 F CB -0.267 38.747 39.000 0.024 0.000 1.081 105 F HN 0.123 nan 8.300 nan 0.000 0.565 106 D N 0.699 121.178 120.400 0.130 0.000 2.837 106 D HA -0.203 4.437 4.640 0.000 0.000 0.230 106 D C -0.141 176.213 176.300 0.090 0.000 1.152 106 D CA 0.413 54.465 54.000 0.086 0.000 0.736 106 D CB -1.017 39.830 40.800 0.079 0.000 1.084 106 D HN 0.181 nan 8.370 nan 0.000 0.429 107 L N -0.837 120.450 121.223 0.106 0.000 2.439 107 L HA 0.622 4.962 4.340 0.000 0.000 0.259 107 L C 1.194 178.102 176.870 0.063 0.000 1.129 107 L CA -0.798 54.093 54.840 0.086 0.000 0.803 107 L CB 1.191 43.313 42.059 0.104 0.000 1.161 107 L HN -0.198 nan 8.230 nan 0.000 0.462 108 R N 0.702 121.235 120.500 0.054 0.000 2.832 108 R HA 0.771 5.111 4.340 0.000 0.000 0.271 108 R C -0.620 175.714 176.300 0.057 0.000 0.996 108 R CA -0.849 55.282 56.100 0.051 0.000 0.977 108 R CB 1.788 32.117 30.300 0.048 0.000 1.168 108 R HN 0.444 nan 8.270 nan 0.000 0.482 109 L N 0.840 122.099 121.223 0.059 0.000 2.330 109 L HA 0.640 4.981 4.340 0.000 0.000 0.271 109 L C -0.363 176.557 176.870 0.084 0.000 1.013 109 L CA -1.059 53.825 54.840 0.073 0.000 0.816 109 L CB 2.033 44.130 42.059 0.064 0.000 1.287 109 L HN 0.632 nan 8.230 nan 0.000 0.435 110 N N 0.443 119.212 118.700 0.115 0.000 2.310 110 N HA 0.145 4.885 4.740 0.000 0.000 0.292 110 N C -1.006 174.605 175.510 0.169 0.000 1.049 110 N CA -0.629 52.498 53.050 0.129 0.000 0.849 110 N CB 1.958 40.533 38.487 0.146 0.000 1.532 110 N HN 0.591 nan 8.380 nan 0.000 0.479 111 E N 2.688 122.975 120.200 0.145 0.000 2.452 111 E HA 0.021 4.371 4.350 0.000 0.000 0.261 111 E C -1.140 175.602 176.600 0.237 0.000 0.987 111 E CA 0.079 56.585 56.400 0.176 0.000 0.926 111 E CB 0.363 30.136 29.700 0.121 0.000 0.934 111 E HN 0.442 nan 8.360 nan 0.000 0.452 112 F N 4.380 124.417 119.950 0.145 0.000 2.388 112 F HA 0.239 4.767 4.527 0.000 0.000 0.358 112 F C -0.134 175.740 175.800 0.123 0.000 1.122 112 F CA -0.593 57.496 58.000 0.148 0.000 1.056 112 F CB 1.329 40.429 39.000 0.167 0.000 1.155 112 F HN 0.343 nan 8.300 nan 0.000 0.461 113 S N 4.583 120.182 115.700 -0.168 0.000 2.510 113 S HA 0.086 4.557 4.470 0.000 0.000 0.279 113 S C 0.856 175.435 174.600 -0.035 0.000 1.284 113 S CA -0.447 57.711 58.200 -0.069 0.000 1.059 113 S CB 0.757 63.897 63.200 -0.100 0.000 0.901 113 S HN 0.807 nan 8.310 nan 0.000 0.491 114 Q N 2.415 122.254 119.800 0.066 0.000 2.398 114 Q HA 0.242 4.582 4.340 0.000 0.000 0.204 114 Q C 0.359 176.387 176.000 0.047 0.000 0.932 114 Q CA 0.639 56.483 55.803 0.068 0.000 0.916 114 Q CB 0.255 28.982 28.738 -0.017 0.000 1.024 114 Q HN 0.891 nan 8.270 nan 0.000 0.504 115 E N -0.143 120.066 120.200 0.015 0.000 2.375 115 E HA 0.336 4.686 4.350 0.000 0.000 0.280 115 E C -1.735 174.847 176.600 -0.029 0.000 0.972 115 E CA -0.359 56.038 56.400 -0.006 0.000 0.782 115 E CB 1.404 31.114 29.700 0.016 0.000 1.229 115 E HN 0.010 nan 8.360 nan 0.000 0.439 116 N N 2.645 121.309 118.700 -0.059 0.000 2.533 116 N HA 0.152 4.892 4.740 0.000 0.000 0.289 116 N C -0.432 175.008 175.510 -0.116 0.000 1.103 116 N CA -0.436 52.564 53.050 -0.084 0.000 0.877 116 N CB 1.171 39.590 38.487 -0.114 0.000 1.419 116 N HN 0.398 nan 8.380 nan 0.000 0.517 117 D N 1.873 122.218 120.400 -0.091 0.000 2.265 117 D HA -0.139 4.501 4.640 0.000 0.000 0.208 117 D C 0.494 176.677 176.300 -0.195 0.000 0.977 117 D CA 1.332 55.271 54.000 -0.102 0.000 0.871 117 D CB 0.066 40.825 40.800 -0.068 0.000 0.925 117 D HN 0.631 nan 8.370 nan 0.000 0.485 118 N N -0.219 118.336 118.700 -0.241 0.000 2.412 118 N HA 0.122 4.862 4.740 0.000 0.000 0.184 118 N C 0.670 175.825 175.510 -0.591 0.000 1.101 118 N CA -0.185 52.642 53.050 -0.373 0.000 0.881 118 N CB 0.448 38.767 38.487 -0.280 0.000 0.969 118 N HN 0.053 nan 8.380 nan 0.000 0.459 119 A N 0.398 122.939 122.820 -0.465 0.000 2.251 119 A HA 0.403 4.723 4.320 0.000 0.000 0.278 119 A C -0.759 176.487 177.584 -0.563 0.000 1.206 119 A CA -0.044 51.715 52.037 -0.464 0.000 0.822 119 A CB 0.214 19.081 19.000 -0.221 0.000 1.187 119 A HN 0.248 nan 8.150 nan 0.000 0.504 120 W N -2.992 118.239 121.300 -0.115 0.000 2.799 120 W HA 0.617 5.278 4.660 0.000 0.000 0.349 120 W C -1.386 175.060 176.519 -0.121 0.000 1.100 120 W CA -0.128 57.174 57.345 -0.072 0.000 1.174 120 W CB 1.164 30.573 29.460 -0.086 0.000 1.427 120 W HN 0.503 nan 8.180 nan 0.000 0.547 121 Y N 1.563 122.067 120.300 0.341 0.000 2.350 121 Y HA 0.437 4.987 4.550 0.000 0.000 0.338 121 Y C -0.969 175.079 175.900 0.247 0.000 0.961 121 Y CA -1.200 57.024 58.100 0.206 0.000 1.100 121 Y CB 1.344 39.885 38.460 0.135 0.000 1.179 121 Y HN 0.232 nan 8.280 nan 0.000 0.454 122 F N 6.106 126.158 119.950 0.171 0.000 2.552 122 F HA 0.585 5.112 4.527 0.000 0.000 0.369 122 F C -1.677 174.150 175.800 0.045 0.000 1.112 122 F CA -0.831 57.208 58.000 0.065 0.000 1.129 122 F CB 0.233 39.219 39.000 -0.024 0.000 1.360 122 F HN 0.220 nan 8.300 nan 0.000 0.473 123 I N 5.236 125.679 120.570 -0.211 0.000 2.465 123 I HA 0.258 4.428 4.170 0.000 0.000 0.291 123 I C 0.245 176.175 176.117 -0.313 0.000 1.014 123 I CA -0.915 60.285 61.300 -0.166 0.000 1.093 123 I CB 1.910 39.912 38.000 0.003 0.000 1.267 123 I HN 0.493 nan 8.210 nan 0.000 0.431 124 K N 4.344 124.580 120.400 -0.274 0.000 3.012 124 K HA -0.268 4.052 4.320 0.000 0.000 0.259 124 K C 0.123 176.523 176.600 -0.332 0.000 0.989 124 K CA 0.964 57.092 56.287 -0.264 0.000 0.728 124 K CB -1.199 31.144 32.500 -0.263 0.000 1.260 124 K HN 0.848 nan 8.250 nan 0.000 0.480 125 N N -1.419 116.956 118.700 -0.543 0.000 2.800 125 N HA -0.206 4.534 4.740 0.000 0.000 0.250 125 N C -0.523 174.633 175.510 -0.589 0.000 1.078 125 N CA 1.216 53.880 53.050 -0.643 0.000 0.804 125 N CB -0.700 37.644 38.487 -0.238 0.000 1.135 125 N HN 0.390 nan 8.380 nan 0.000 0.565 126 I N 0.781 121.015 120.570 -0.559 0.000 2.336 126 I HA 0.244 4.414 4.170 0.000 0.000 0.292 126 I C 0.512 176.474 176.117 -0.259 0.000 0.991 126 I CA -0.513 60.608 61.300 -0.298 0.000 1.227 126 I CB 1.518 39.406 38.000 -0.185 0.000 1.366 126 I HN 0.072 nan 8.210 nan 0.000 0.466 127 R N 6.751 127.223 120.500 -0.046 0.000 2.310 127 R HA 0.482 4.822 4.340 0.000 0.000 0.324 127 R C -1.249 175.207 176.300 0.260 0.000 0.955 127 R CA -0.603 55.601 56.100 0.175 0.000 0.830 127 R CB 0.753 31.185 30.300 0.221 0.000 1.154 127 R HN 0.468 nan 8.270 nan 0.000 0.458 128 K N 3.070 123.702 120.400 0.387 0.000 2.508 128 K HA 0.338 4.658 4.320 0.000 0.000 0.260 128 K C -0.890 175.970 176.600 0.433 0.000 0.949 128 K CA -1.059 55.451 56.287 0.372 0.000 0.834 128 K CB 1.824 34.437 32.500 0.189 0.000 1.365 128 K HN 0.409 nan 8.250 nan 0.000 0.437 129 K N 1.106 121.614 120.400 0.179 0.000 2.355 129 K HA 0.089 4.409 4.320 0.000 0.000 0.270 129 K C 1.313 177.955 176.600 0.071 0.000 1.003 129 K CA -0.041 56.166 56.287 -0.133 0.000 0.957 129 K CB 0.831 33.172 32.500 -0.264 0.000 0.939 129 K HN 0.265 nan 8.250 nan 0.000 0.482 130 V N 2.347 122.273 119.914 0.019 0.000 2.392 130 V HA -0.234 3.886 4.120 0.000 0.000 0.249 130 V C 2.237 178.405 176.094 0.122 0.000 1.059 130 V CA 2.460 64.872 62.300 0.187 0.000 1.051 130 V CB -0.698 31.119 31.823 -0.008 0.000 0.658 130 V HN 1.025 nan 8.190 nan 0.000 0.455 131 G N -0.555 108.246 108.800 0.002 0.000 2.422 131 G HA2 -0.222 3.738 3.960 0.000 0.000 0.218 131 G HA3 -0.222 3.738 3.960 0.000 0.000 0.218 131 G C 1.440 176.348 174.900 0.013 0.000 1.146 131 G CA 0.845 45.943 45.100 -0.003 0.000 0.769 131 G HN 0.592 nan 8.290 nan 0.000 0.547 132 E N -0.019 120.191 120.200 0.016 0.000 2.072 132 E HA -0.068 4.283 4.350 0.000 0.000 0.191 132 E C 2.695 179.303 176.600 0.015 0.000 0.985 132 E CA 0.910 57.322 56.400 0.019 0.000 0.801 132 E CB -0.136 29.584 29.700 0.033 0.000 0.750 132 E HN 0.307 nan 8.360 nan 0.000 0.452 133 V N 1.717 121.643 119.914 0.020 0.000 2.515 133 V HA -0.236 3.884 4.120 0.000 0.000 0.250 133 V C 2.056 178.128 176.094 -0.036 0.000 1.058 133 V CA 1.639 63.901 62.300 -0.064 0.000 1.064 133 V CB -0.382 31.277 31.823 -0.272 0.000 0.675 133 V HN 0.181 nan 8.190 nan 0.000 0.461 134 K N 0.073 120.487 120.400 0.023 0.000 2.097 134 K HA -0.155 4.165 4.320 0.000 0.000 0.206 134 K C 2.177 178.782 176.600 0.009 0.000 1.049 134 K CA 1.304 57.607 56.287 0.027 0.000 0.933 134 K CB -0.149 32.378 32.500 0.045 0.000 0.717 134 K HN 0.433 nan 8.250 nan 0.000 0.442 135 K N -0.035 120.369 120.400 0.007 0.000 2.243 135 K HA -0.049 4.271 4.320 0.000 0.000 0.201 135 K C 0.242 176.842 176.600 -0.001 0.000 1.051 135 K CA 0.701 56.990 56.287 0.004 0.000 0.970 135 K CB 0.282 32.785 32.500 0.004 0.000 0.755 135 K HN -0.013 nan 8.250 nan 0.000 0.465 136 D N -0.173 120.222 120.400 -0.007 0.000 2.405 136 D HA 0.169 4.809 4.640 0.000 0.000 0.264 136 D C -2.361 173.924 176.300 -0.025 0.000 1.240 136 D CA -2.232 51.761 54.000 -0.010 0.000 0.893 136 D CB 1.412 42.209 40.800 -0.005 0.000 1.198 136 D HN -0.231 nan 8.370 nan 0.000 0.514 137 P HA -0.025 nan 4.420 nan 0.000 0.218 137 P C 1.424 178.716 177.300 -0.013 0.000 1.148 137 P CA 0.928 64.002 63.100 -0.043 0.000 0.822 137 P CB 0.321 32.002 31.700 -0.032 0.000 0.784 138 G N -0.666 108.135 108.800 0.001 0.000 2.535 138 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 138 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 138 G C 1.306 176.209 174.900 0.004 0.000 1.122 138 G CA 0.134 45.243 45.100 0.016 0.000 0.769 138 G HN 0.170 nan 8.290 nan 0.000 0.549 139 L N 0.241 121.457 121.223 -0.012 0.000 2.127 139 L HA 0.064 4.404 4.340 0.000 0.000 0.211 139 L C 2.496 179.346 176.870 -0.034 0.000 1.089 139 L CA 1.164 55.992 54.840 -0.021 0.000 0.757 139 L CB -0.279 41.766 42.059 -0.023 0.000 0.899 139 L HN 0.228 nan 8.230 nan 0.000 0.434 140 L N -0.871 120.341 121.223 -0.018 0.000 2.612 140 L HA 0.006 4.347 4.340 0.000 0.000 0.230 140 L C 0.741 177.547 176.870 -0.107 0.000 1.140 140 L CA -0.029 54.793 54.840 -0.029 0.000 0.896 140 L CB -0.349 41.770 42.059 0.100 0.000 1.065 140 L HN 0.225 nan 8.230 nan 0.000 0.447 141 K N -0.528 119.841 120.400 -0.051 0.000 3.035 141 K HA -0.236 4.084 4.320 0.000 0.000 0.262 141 K C -0.770 175.763 176.600 -0.112 0.000 1.024 141 K CA 0.594 56.833 56.287 -0.081 0.000 0.748 141 K CB -1.930 30.495 32.500 -0.125 0.000 1.247 141 K HN 0.197 nan 8.250 nan 0.000 0.482 142 Y N 0.694 120.971 120.300 -0.038 0.000 2.335 142 Y HA 0.167 4.717 4.550 0.000 0.000 0.331 142 Y C -1.686 174.205 175.900 -0.016 0.000 1.094 142 Y CA -2.379 55.708 58.100 -0.023 0.000 1.253 142 Y CB 0.454 38.905 38.460 -0.016 0.000 1.203 142 Y HN -0.019 nan 8.280 nan 0.000 0.508 143 P HA 0.065 nan 4.420 nan 0.000 0.267 143 P C -0.943 176.402 177.300 0.074 0.000 1.328 143 P CA 0.020 63.157 63.100 0.062 0.000 0.990 143 P CB -0.050 31.671 31.700 0.034 0.000 1.168 144 V N 0.853 120.803 119.914 0.061 0.000 3.096 144 V HA 0.529 4.649 4.120 0.000 0.000 0.319 144 V C 0.326 176.435 176.094 0.025 0.000 1.103 144 V CA -1.325 61.002 62.300 0.044 0.000 1.016 144 V CB 1.675 33.523 31.823 0.042 0.000 1.090 144 V HN 0.142 nan 8.190 nan 0.000 0.449 145 K N 1.348 121.757 120.400 0.016 0.000 2.168 145 K HA 0.310 4.630 4.320 0.000 0.000 0.258 145 K C -1.827 174.778 176.600 0.008 0.000 1.010 145 K CA -1.264 55.028 56.287 0.008 0.000 0.929 145 K CB 0.869 33.370 32.500 0.002 0.000 0.998 145 K HN 0.437 nan 8.250 nan 0.000 0.479 146 P HA -0.235 nan 4.420 nan 0.000 0.216 146 P C 1.084 178.387 177.300 0.005 0.000 1.150 146 P CA 1.447 64.550 63.100 0.005 0.000 0.843 146 P CB 0.161 31.863 31.700 0.003 0.000 0.787 147 S N -0.978 114.724 115.700 0.003 0.000 2.453 147 S HA -0.081 4.390 4.470 0.000 0.000 0.231 147 S C 1.613 176.216 174.600 0.005 0.000 1.005 147 S CA 0.784 58.986 58.200 0.003 0.000 0.949 147 S CB -0.876 62.324 63.200 0.000 0.000 0.774 147 S HN 0.272 nan 8.310 nan 0.000 0.510 148 E N 1.429 121.632 120.200 0.006 0.000 2.447 148 E HA 0.384 4.735 4.350 0.000 0.000 0.195 148 E C 0.762 177.368 176.600 0.010 0.000 1.028 148 E CA 0.127 56.532 56.400 0.008 0.000 0.876 148 E CB 0.084 29.788 29.700 0.008 0.000 0.885 148 E HN 0.647 nan 8.360 nan 0.000 0.500 149 A N 0.809 123.636 122.820 0.011 0.000 2.531 149 A HA 0.331 4.651 4.320 0.000 0.000 0.236 149 A C 1.446 179.036 177.584 0.009 0.000 1.062 149 A CA 0.795 52.839 52.037 0.011 0.000 0.760 149 A CB -0.342 18.664 19.000 0.010 0.000 0.995 149 A HN 0.364 nan 8.150 nan 0.000 0.501 150 G N 1.034 109.839 108.800 0.008 0.000 2.184 150 G HA2 -0.259 3.702 3.960 0.000 0.000 0.264 150 G HA3 -0.259 3.702 3.960 0.000 0.000 0.264 150 G C 0.255 175.158 174.900 0.004 0.000 0.975 150 G CA 1.024 46.127 45.100 0.005 0.000 0.642 150 G HN 0.888 nan 8.290 nan 0.000 0.536 151 K N 0.992 121.395 120.400 0.004 0.000 2.123 151 K HA 0.584 4.904 4.320 0.000 0.000 0.259 151 K C 0.791 177.389 176.600 -0.003 0.000 0.960 151 K CA 0.066 56.357 56.287 0.006 0.000 0.872 151 K CB 1.519 34.026 32.500 0.012 0.000 1.079 151 K HN 0.367 nan 8.250 nan 0.000 0.440 152 S N 0.717 116.417 115.700 0.001 0.000 2.614 152 S HA 0.228 4.698 4.470 0.000 0.000 0.265 152 S C 1.270 175.868 174.600 -0.003 0.000 1.303 152 S CA -0.252 57.943 58.200 -0.009 0.000 1.000 152 S CB 1.472 64.677 63.200 0.008 0.000 0.935 152 S HN 0.683 nan 8.310 nan 0.000 0.551 153 A N 2.020 124.825 122.820 -0.024 0.000 1.917 153 A HA 0.060 4.380 4.320 0.000 0.000 0.219 153 A C 2.211 179.832 177.584 0.062 0.000 1.182 153 A CA 1.949 53.979 52.037 -0.011 0.000 0.633 153 A CB -1.891 17.085 19.000 -0.040 0.000 0.819 153 A HN 1.194 nan 8.150 nan 0.000 0.448 154 G N -1.015 107.819 108.800 0.057 0.000 2.418 154 G HA2 -0.230 3.731 3.960 0.000 0.000 0.217 154 G HA3 -0.230 3.731 3.960 0.000 0.000 0.217 154 G C 1.611 176.583 174.900 0.120 0.000 1.158 154 G CA 0.994 46.144 45.100 0.083 0.000 0.771 154 G HN 0.668 nan 8.290 nan 0.000 0.545 155 Q N -0.231 119.616 119.800 0.078 0.000 2.079 155 Q HA 0.069 4.409 4.340 0.000 0.000 0.200 155 Q C 2.684 178.736 176.000 0.087 0.000 0.974 155 Q CA 0.767 56.613 55.803 0.071 0.000 0.840 155 Q CB -0.268 28.495 28.738 0.041 0.000 0.898 155 Q HN 0.431 nan 8.270 nan 0.000 0.430 156 L N -0.426 120.847 121.223 0.083 0.000 2.079 156 L HA -0.229 4.112 4.340 0.000 0.000 0.210 156 L C 2.407 179.347 176.870 0.117 0.000 1.081 156 L CA 1.358 56.244 54.840 0.076 0.000 0.752 156 L CB -0.516 41.576 42.059 0.055 0.000 0.896 156 L HN 0.250 nan 8.230 nan 0.000 0.433 157 Y N 0.860 121.196 120.300 0.060 0.000 2.133 157 Y HA -0.239 4.311 4.550 0.000 0.000 0.287 157 Y C 2.678 178.649 175.900 0.117 0.000 1.134 157 Y CA 1.575 59.736 58.100 0.102 0.000 1.133 157 Y CB 0.050 38.571 38.460 0.101 0.000 0.987 157 Y HN 0.081 nan 8.280 nan 0.000 0.502 158 E N 0.708 121.048 120.200 0.234 0.000 2.058 158 E HA -0.237 4.113 4.350 0.000 0.000 0.194 158 E C 2.051 178.683 176.600 0.054 0.000 0.997 158 E CA 1.815 58.305 56.400 0.150 0.000 0.801 158 E CB -0.406 29.387 29.700 0.154 0.000 0.746 158 E HN 0.672 nan 8.360 nan 0.000 0.450 159 E N 0.551 120.780 120.200 0.049 0.000 2.153 159 E HA -0.127 4.223 4.350 0.000 0.000 0.194 159 E C 1.988 178.591 176.600 0.005 0.000 0.988 159 E CA 1.236 57.653 56.400 0.028 0.000 0.811 159 E CB -0.088 29.628 29.700 0.027 0.000 0.746 159 E HN 0.216 nan 8.360 nan 0.000 0.466 160 S N 0.380 116.067 115.700 -0.022 0.000 2.507 160 S HA -0.078 4.392 4.470 0.000 0.000 0.235 160 S C 1.686 176.325 174.600 0.064 0.000 0.988 160 S CA 0.450 58.634 58.200 -0.026 0.000 0.944 160 S CB -0.058 63.106 63.200 -0.060 0.000 0.762 160 S HN 0.072 nan 8.310 nan 0.000 0.526 161 L N 2.043 123.279 121.223 0.021 0.000 2.610 161 L HA 0.306 4.646 4.340 0.000 0.000 0.232 161 L C 2.442 179.343 176.870 0.052 0.000 1.149 161 L CA 0.683 55.547 54.840 0.041 0.000 0.872 161 L CB -1.136 40.907 42.059 -0.027 0.000 0.992 161 L HN 0.444 nan 8.230 nan 0.000 0.447 162 G N -0.467 108.362 108.800 0.049 0.000 2.513 162 G HA2 -0.344 3.616 3.960 0.000 0.000 0.219 162 G HA3 -0.344 3.616 3.960 0.000 0.000 0.219 162 G C 1.904 176.835 174.900 0.052 0.000 1.160 162 G CA 1.107 46.231 45.100 0.039 0.000 0.767 162 G HN 0.298 nan 8.290 nan 0.000 0.571 163 K N -0.408 120.041 120.400 0.082 0.000 2.044 163 K HA -0.084 4.236 4.320 0.000 0.000 0.210 163 K C 2.870 179.540 176.600 0.116 0.000 1.049 163 K CA 1.270 57.625 56.287 0.114 0.000 0.927 163 K CB -0.979 31.611 32.500 0.151 0.000 0.713 163 K HN 0.306 nan 8.250 nan 0.000 0.443 164 V N 0.660 120.580 119.914 0.010 0.000 2.343 164 V HA -0.216 3.904 4.120 0.000 0.000 0.247 164 V C 2.324 178.400 176.094 -0.030 0.000 1.051 164 V CA 1.902 64.101 62.300 -0.169 0.000 1.036 164 V CB -0.666 30.876 31.823 -0.469 0.000 0.654 164 V HN 0.225 nan 8.190 nan 0.000 0.451 165 V N -0.124 119.779 119.914 -0.018 0.000 2.287 165 V HA -0.277 3.843 4.120 0.000 0.000 0.248 165 V C 2.509 178.616 176.094 0.023 0.000 1.053 165 V CA 2.118 64.416 62.300 -0.002 0.000 1.027 165 V CB -0.660 31.166 31.823 0.006 0.000 0.646 165 V HN 0.605 nan 8.190 nan 0.000 0.447 166 E N -0.473 119.752 120.200 0.042 0.000 2.051 166 E HA -0.216 4.135 4.350 0.000 0.000 0.192 166 E C 2.363 179.006 176.600 0.071 0.000 0.991 166 E CA 1.109 57.539 56.400 0.050 0.000 0.799 166 E CB -0.169 29.565 29.700 0.056 0.000 0.748 166 E HN 0.541 nan 8.360 nan 0.000 0.449 167 E N 0.826 121.101 120.200 0.125 0.000 2.085 167 E HA -0.196 4.154 4.350 0.000 0.000 0.194 167 E C 2.170 178.857 176.600 0.145 0.000 0.994 167 E CA 0.597 57.108 56.400 0.186 0.000 0.801 167 E CB -0.271 29.638 29.700 0.349 0.000 0.743 167 E HN 0.143 nan 8.360 nan 0.000 0.453 168 L N 1.571 122.856 121.223 0.103 0.000 2.017 168 L HA -0.181 4.159 4.340 0.000 0.000 0.208 168 L C 2.265 179.147 176.870 0.019 0.000 1.073 168 L CA 1.923 56.795 54.840 0.053 0.000 0.745 168 L CB -0.599 41.459 42.059 -0.002 0.000 0.894 168 L HN -0.163 nan 8.230 nan 0.000 0.432 169 K N -0.600 119.807 120.400 0.012 0.000 2.152 169 K HA -0.120 4.200 4.320 0.000 0.000 0.206 169 K C 2.329 178.924 176.600 -0.008 0.000 1.048 169 K CA 1.471 57.757 56.287 -0.002 0.000 0.933 169 K CB -0.684 31.817 32.500 0.001 0.000 0.721 169 K HN 0.479 nan 8.250 nan 0.000 0.447 170 R N 0.432 120.931 120.500 -0.002 0.000 2.246 170 R HA -0.027 4.313 4.340 0.000 0.000 0.199 170 R C 1.499 177.757 176.300 -0.070 0.000 0.984 170 R CA 1.604 57.688 56.100 -0.027 0.000 1.015 170 R CB 0.174 30.465 30.300 -0.014 0.000 0.930 170 R HN 0.623 nan 8.270 nan 0.000 0.475 171 T N -2.069 112.450 114.554 -0.058 0.000 1.812 171 T HA 0.267 4.617 4.350 0.000 0.000 0.173 171 T C -0.356 174.323 174.700 -0.036 0.000 0.710 171 T CA -0.288 61.744 62.100 -0.114 0.000 1.065 171 T CB 0.172 68.897 68.868 -0.238 0.000 3.214 171 T HN 0.286 nan 8.240 nan 0.000 0.403 172 N N -1.646 117.072 118.700 0.030 0.000 3.116 172 N HA 0.365 5.105 4.740 0.000 0.000 0.244 172 N C 0.324 175.865 175.510 0.051 0.000 1.485 172 N CA -0.430 52.636 53.050 0.027 0.000 0.884 172 N CB 0.578 39.077 38.487 0.021 0.000 1.415 172 N HN 0.478 nan 8.380 nan 0.000 0.524 173 c N -0.151 118.440 118.600 -0.015 0.000 2.432 173 c HA -0.115 4.455 4.570 0.000 0.000 0.277 173 c C 2.793 176.862 174.090 -0.035 0.000 1.249 173 c CA 1.841 58.128 56.329 -0.070 0.000 1.725 173 c CB -1.517 40.910 42.510 -0.137 0.000 2.028 173 c HN 0.879 nan 8.230 nan 0.000 0.477 174 S N -0.299 115.404 115.700 0.005 0.000 2.399 174 S HA -0.260 4.210 4.470 0.000 0.000 0.231 174 S C 1.722 176.357 174.600 0.057 0.000 1.022 174 S CA 1.713 59.926 58.200 0.023 0.000 0.983 174 S CB -0.918 62.307 63.200 0.041 0.000 0.803 174 S HN 0.700 nan 8.310 nan 0.000 0.480 175 Y N 3.468 123.761 120.300 -0.012 0.000 2.163 175 Y HA -0.014 4.537 4.550 0.000 0.000 0.288 175 Y C 2.153 178.059 175.900 0.011 0.000 1.136 175 Y CA 1.623 59.723 58.100 -0.000 0.000 1.147 175 Y CB -0.428 38.034 38.460 0.003 0.000 0.987 175 Y HN 0.422 nan 8.280 nan 0.000 0.509 176 I N -2.177 118.443 120.570 0.082 0.000 2.439 176 I HA -0.154 4.016 4.170 0.000 0.000 0.251 176 I C 1.893 178.060 176.117 0.084 0.000 1.139 176 I CA 1.318 62.689 61.300 0.118 0.000 1.438 176 I CB -0.661 37.486 38.000 0.247 0.000 1.085 176 I HN 0.188 nan 8.210 nan 0.000 0.427 177 L N 1.407 122.619 121.223 -0.018 0.000 2.093 177 L HA -0.164 4.176 4.340 0.000 0.000 0.208 177 L C 2.473 179.317 176.870 -0.044 0.000 1.085 177 L CA 1.851 56.660 54.840 -0.051 0.000 0.755 177 L CB -0.744 41.252 42.059 -0.105 0.000 0.904 177 L HN 0.384 nan 8.230 nan 0.000 0.435 178 N N 0.103 118.752 118.700 -0.085 0.000 2.135 178 N HA -0.214 4.526 4.740 0.000 0.000 0.186 178 N C 1.847 177.247 175.510 -0.184 0.000 1.027 178 N CA 1.260 54.249 53.050 -0.101 0.000 0.849 178 N CB 0.025 38.446 38.487 -0.110 0.000 1.002 178 N HN 0.114 nan 8.380 nan 0.000 0.425 179 K N -0.865 119.331 120.400 -0.340 0.000 2.026 179 K HA -0.156 4.164 4.320 0.000 0.000 0.208 179 K C 1.078 177.488 176.600 -0.317 0.000 1.048 179 K CA 1.314 57.334 56.287 -0.444 0.000 0.929 179 K CB -0.257 31.786 32.500 -0.761 0.000 0.713 179 K HN 0.280 nan 8.250 nan 0.000 0.439 180 Y N 0.654 120.964 120.300 0.016 0.000 2.578 180 Y HA -0.040 4.510 4.550 0.000 0.000 0.297 180 Y C 1.428 177.438 175.900 0.183 0.000 1.176 180 Y CA 0.760 58.942 58.100 0.137 0.000 1.315 180 Y CB -0.062 38.449 38.460 0.086 0.000 1.031 180 Y HN 0.300 nan 8.280 nan 0.000 0.524 181 D N -0.751 119.728 120.400 0.132 0.000 2.348 181 D HA -0.092 4.548 4.640 0.000 0.000 0.211 181 D C 1.921 178.156 176.300 -0.108 0.000 0.998 181 D CA 1.217 55.290 54.000 0.121 0.000 0.873 181 D CB 0.021 40.896 40.800 0.125 0.000 0.925 181 D HN 0.263 nan 8.370 nan 0.000 0.524 182 T N -2.769 111.636 114.554 -0.249 0.000 3.129 182 T HA 0.074 4.424 4.350 0.000 0.000 0.251 182 T C 0.265 174.813 174.700 -0.254 0.000 1.117 182 T CA -0.059 61.636 62.100 -0.675 0.000 1.034 182 T CB -0.366 68.142 68.868 -0.600 0.000 0.968 182 T HN -0.064 nan 8.240 nan 0.000 0.526 183 Y N 2.118 122.402 120.300 -0.025 0.000 2.487 183 Y HA 0.592 5.142 4.550 0.000 0.000 0.337 183 Y C 0.760 176.771 175.900 0.184 0.000 1.076 183 Y CA -1.336 56.826 58.100 0.104 0.000 1.115 183 Y CB 1.834 40.406 38.460 0.187 0.000 1.235 183 Y HN 0.185 nan 8.280 nan 0.000 0.468 184 S N -1.021 114.877 115.700 0.331 0.000 2.687 184 S HA 0.256 4.726 4.470 0.000 0.000 0.283 184 S C 0.718 175.507 174.600 0.314 0.000 1.170 184 S CA -0.419 57.967 58.200 0.309 0.000 1.008 184 S CB 1.427 64.777 63.200 0.250 0.000 1.026 184 S HN 0.692 nan 8.310 nan 0.000 0.541 185 T N 1.349 116.120 114.554 0.361 0.000 2.684 185 T HA -0.140 4.210 4.350 0.000 0.000 0.267 185 T C 1.696 176.473 174.700 0.128 0.000 1.036 185 T CA 1.856 64.182 62.100 0.378 0.000 1.148 185 T CB -0.438 68.770 68.868 0.565 0.000 0.863 185 T HN 0.759 nan 8.240 nan 0.000 0.436 186 K N 0.885 121.292 120.400 0.011 0.000 2.097 186 K HA -0.132 4.188 4.320 0.000 0.000 0.206 186 K C 2.378 178.881 176.600 -0.162 0.000 1.049 186 K CA 1.480 57.547 56.287 -0.366 0.000 0.933 186 K CB -0.091 32.083 32.500 -0.543 0.000 0.717 186 K HN 0.428 nan 8.250 nan 0.000 0.442 187 E N -0.494 119.700 120.200 -0.009 0.000 2.118 187 E HA -0.256 4.094 4.350 0.000 0.000 0.195 187 E C 1.873 178.510 176.600 0.062 0.000 0.992 187 E CA 1.256 57.688 56.400 0.055 0.000 0.804 187 E CB -0.224 29.561 29.700 0.142 0.000 0.741 187 E HN 0.455 nan 8.360 nan 0.000 0.458 188 Y N 1.127 121.358 120.300 -0.116 0.000 2.133 188 Y HA -0.171 4.379 4.550 0.000 0.000 0.287 188 Y C 1.980 177.671 175.900 -0.349 0.000 1.134 188 Y CA 1.702 59.574 58.100 -0.380 0.000 1.133 188 Y CB -0.332 37.476 38.460 -1.087 0.000 0.987 188 Y HN 0.002 nan 8.280 nan 0.000 0.502 189 L N -0.198 120.826 121.223 -0.333 0.000 2.043 189 L HA -0.280 4.060 4.340 0.000 0.000 0.212 189 L C 2.391 179.081 176.870 -0.299 0.000 1.075 189 L CA 1.772 56.437 54.840 -0.291 0.000 0.752 189 L CB -0.613 41.383 42.059 -0.106 0.000 0.891 189 L HN 0.338 nan 8.230 nan 0.000 0.432 190 I N -0.659 119.770 120.570 -0.235 0.000 2.235 190 I HA -0.213 3.957 4.170 0.000 0.000 0.241 190 I C 2.514 178.529 176.117 -0.170 0.000 1.085 190 I CA 1.191 62.389 61.300 -0.169 0.000 1.378 190 I CB -0.206 37.722 38.000 -0.120 0.000 1.076 190 I HN 0.140 nan 8.210 nan 0.000 0.415 191 K N 0.275 120.582 120.400 -0.155 0.000 2.103 191 K HA -0.099 4.221 4.320 0.000 0.000 0.204 191 K C 1.861 178.352 176.600 -0.181 0.000 1.052 191 K CA 1.008 57.234 56.287 -0.102 0.000 0.945 191 K CB 0.107 32.626 32.500 0.032 0.000 0.722 191 K HN 0.235 nan 8.250 nan 0.000 0.443 192 E N -0.683 119.265 120.200 -0.420 0.000 2.290 192 E HA 0.030 4.380 4.350 0.000 0.000 0.199 192 E C 2.028 178.294 176.600 -0.556 0.000 0.912 192 E CA 0.589 56.677 56.400 -0.519 0.000 0.924 192 E CB 0.017 29.256 29.700 -0.769 0.000 0.901 192 E HN 0.326 nan 8.360 nan 0.000 0.487 193 G N 1.024 109.382 108.800 -0.735 0.000 2.572 193 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 193 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 193 G C 0.839 175.601 174.900 -0.229 0.000 1.133 193 G CA 0.945 45.789 45.100 -0.428 0.000 0.791 193 G HN 0.381 nan 8.290 nan 0.000 0.538 194 D N -1.041 119.228 120.400 -0.217 0.000 2.882 194 D HA -0.180 4.460 4.640 0.000 0.000 0.229 194 D C 0.688 176.932 176.300 -0.094 0.000 1.167 194 D CA 1.137 55.060 54.000 -0.129 0.000 0.759 194 D CB -2.152 38.590 40.800 -0.095 0.000 1.088 194 D HN 0.474 nan 8.370 nan 0.000 0.425 195 L N 0.487 121.649 121.223 -0.102 0.000 2.452 195 L HA 0.479 4.819 4.340 0.000 0.000 0.267 195 L C 1.758 178.602 176.870 -0.043 0.000 1.188 195 L CA 0.076 54.880 54.840 -0.060 0.000 0.821 195 L CB 1.339 43.369 42.059 -0.048 0.000 1.102 195 L HN 0.572 nan 8.230 nan 0.000 0.470 196 S N 1.441 117.130 115.700 -0.019 0.000 2.593 196 S HA 0.199 4.669 4.470 0.000 0.000 0.269 196 S C -1.893 172.710 174.600 0.004 0.000 1.334 196 S CA -1.100 57.097 58.200 -0.006 0.000 1.015 196 S CB 0.965 64.170 63.200 0.008 0.000 0.912 196 S HN 0.415 nan 8.310 nan 0.000 0.541 197 P HA 0.008 nan 4.420 nan 0.000 0.218 197 P C 1.637 178.975 177.300 0.064 0.000 1.148 197 P CA 1.547 64.662 63.100 0.024 0.000 0.822 197 P CB -0.401 31.312 31.700 0.022 0.000 0.784 198 G N -0.140 108.706 108.800 0.077 0.000 2.408 198 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 198 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 198 G C 1.615 176.584 174.900 0.115 0.000 1.150 198 G CA 0.780 45.965 45.100 0.142 0.000 0.776 198 G HN 0.303 nan 8.290 nan 0.000 0.542 199 A N 0.194 123.044 122.820 0.050 0.000 1.930 199 A HA 0.123 4.443 4.320 0.000 0.000 0.217 199 A C 2.565 180.162 177.584 0.022 0.000 1.175 199 A CA 1.673 53.715 52.037 0.007 0.000 0.627 199 A CB -0.510 18.497 19.000 0.010 0.000 0.815 199 A HN 0.232 nan 8.150 nan 0.000 0.443 200 V N 0.517 120.462 119.914 0.051 0.000 2.358 200 V HA -0.215 3.905 4.120 0.000 0.000 0.246 200 V C 2.129 178.337 176.094 0.190 0.000 1.047 200 V CA 2.214 64.572 62.300 0.096 0.000 1.035 200 V CB -0.775 31.043 31.823 -0.008 0.000 0.658 200 V HN 0.464 nan 8.190 nan 0.000 0.452 201 D N -0.548 119.947 120.400 0.158 0.000 2.117 201 D HA -0.190 4.450 4.640 0.000 0.000 0.197 201 D C 2.055 178.410 176.300 0.091 0.000 0.987 201 D CA 1.402 55.534 54.000 0.220 0.000 0.829 201 D CB -0.225 40.755 40.800 0.300 0.000 0.961 201 D HN 0.344 nan 8.370 nan 0.000 0.460 202 M N -0.005 119.451 119.600 -0.241 0.000 2.132 202 M HA -0.125 4.355 4.480 0.000 0.000 0.263 202 M C 2.033 178.175 176.300 -0.263 0.000 1.065 202 M CA 1.188 56.026 55.300 -0.771 0.000 1.122 202 M CB 0.004 32.042 32.600 -0.937 0.000 1.365 202 M HN -0.047 nan 8.290 nan 0.000 0.411 203 I N -0.195 120.341 120.570 -0.056 0.000 2.179 203 I HA -0.216 3.954 4.170 0.000 0.000 0.242 203 I C 2.506 178.637 176.117 0.024 0.000 1.088 203 I CA 1.457 62.789 61.300 0.054 0.000 1.357 203 I CB -0.973 37.159 38.000 0.221 0.000 1.051 203 I HN 0.442 nan 8.210 nan 0.000 0.409 204 G N 0.342 109.183 108.800 0.068 0.000 2.421 204 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 204 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 204 G C 1.224 176.084 174.900 -0.066 0.000 1.171 204 G CA 0.960 45.956 45.100 -0.174 0.000 0.775 204 G HN 0.276 nan 8.290 nan 0.000 0.543 205 D N 0.483 120.902 120.400 0.033 0.000 2.084 205 D HA -0.038 4.602 4.640 0.000 0.000 0.196 205 D C 2.633 179.006 176.300 0.122 0.000 0.985 205 D CA 0.683 54.732 54.000 0.081 0.000 0.826 205 D CB -0.295 40.608 40.800 0.171 0.000 0.978 205 D HN 0.319 nan 8.370 nan 0.000 0.456 206 L N -0.281 121.005 121.223 0.105 0.000 2.375 206 L HA 0.119 4.459 4.340 0.000 0.000 0.215 206 L C 1.723 178.720 176.870 0.212 0.000 1.108 206 L CA 0.357 55.324 54.840 0.212 0.000 0.830 206 L CB 0.019 42.174 42.059 0.160 0.000 0.959 206 L HN -0.027 nan 8.230 nan 0.000 0.457 207 L N -0.514 120.748 121.223 0.066 0.000 2.700 207 L HA 0.162 4.502 4.340 0.000 0.000 0.234 207 L C 0.443 177.198 176.870 -0.191 0.000 1.156 207 L CA 0.007 54.809 54.840 -0.062 0.000 0.946 207 L CB -0.343 41.633 42.059 -0.138 0.000 1.216 207 L HN 0.410 nan 8.230 nan 0.000 0.493 208 N N 0.907 119.576 118.700 -0.052 0.000 2.747 208 N HA -0.191 4.549 4.740 0.000 0.000 0.249 208 N C 0.835 176.156 175.510 -0.316 0.000 1.107 208 N CA 0.223 53.175 53.050 -0.163 0.000 0.707 208 N CB -0.019 38.143 38.487 -0.541 0.000 1.054 208 N HN 0.325 nan 8.380 nan 0.000 0.555 209 E N -0.021 119.968 120.200 -0.352 0.000 2.415 209 E HA -0.042 4.308 4.350 0.000 0.000 0.197 209 E C 1.118 177.223 176.600 -0.824 0.000 1.007 209 E CA 0.293 56.378 56.400 -0.526 0.000 0.890 209 E CB -0.023 29.399 29.700 -0.464 0.000 0.891 209 E HN 0.515 nan 8.360 nan 0.000 0.496 210 D N 0.813 120.828 120.400 -0.643 0.000 2.126 210 D HA -0.143 4.497 4.640 0.000 0.000 0.190 210 D C 1.521 177.676 176.300 -0.242 0.000 1.001 210 D CA 1.718 55.425 54.000 -0.488 0.000 0.841 210 D CB 0.143 40.861 40.800 -0.138 0.000 0.949 210 D HN -0.090 nan 8.370 nan 0.000 0.446 211 S N -1.367 114.240 115.700 -0.155 0.000 2.603 211 S HA 0.119 4.589 4.470 0.000 0.000 0.229 211 S C 1.424 175.920 174.600 -0.173 0.000 0.972 211 S CA 0.639 58.803 58.200 -0.060 0.000 0.935 211 S CB 0.549 63.738 63.200 -0.017 0.000 0.769 211 S HN 0.429 nan 8.310 nan 0.000 0.536 212 G N -1.065 107.578 108.800 -0.263 0.000 3.596 212 G HA2 0.151 4.111 3.960 0.000 0.000 0.274 212 G HA3 0.151 4.111 3.960 0.000 0.000 0.274 212 G C 0.447 175.253 174.900 -0.156 0.000 1.007 212 G CA -0.233 44.690 45.100 -0.294 0.000 0.825 212 G HN 0.340 nan 8.290 nan 0.000 0.508 213 Y N 0.844 121.077 120.300 -0.111 0.000 2.483 213 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 213 Y C 2.079 178.035 175.900 0.093 0.000 1.143 213 Y CA -0.003 58.116 58.100 0.032 0.000 1.289 213 Y CB -0.180 38.339 38.460 0.099 0.000 0.983 213 Y HN 0.610 nan 8.280 nan 0.000 0.556 214 Y N -1.754 118.705 120.300 0.265 0.000 2.458 214 Y HA 0.419 4.969 4.550 0.000 0.000 0.256 214 Y C 0.654 176.657 175.900 0.171 0.000 1.159 214 Y CA -1.139 57.071 58.100 0.183 0.000 1.261 214 Y CB -1.170 37.365 38.460 0.125 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.202 118.721 119.914 0.014 0.000 3.295 215 V HA 0.403 4.523 4.120 0.000 0.000 0.308 215 V C 0.770 177.023 176.094 0.266 0.000 1.068 215 V CA -0.865 61.519 62.300 0.140 0.000 1.062 215 V CB 1.089 32.946 31.823 0.057 0.000 1.162 215 V HN 0.269 nan 8.190 nan 0.000 0.456 216 S N 0.506 116.402 115.700 0.325 0.000 2.575 216 S HA 0.022 4.492 4.470 0.000 0.000 0.295 216 S C 0.525 175.372 174.600 0.412 0.000 1.267 216 S CA -0.106 58.331 58.200 0.396 0.000 1.074 216 S CB -0.628 62.890 63.200 0.531 0.000 0.829 216 S HN 0.859 nan 8.310 nan 0.000 0.497 217 F N 6.335 126.429 119.950 0.240 0.000 2.307 217 F HA -0.076 4.451 4.527 0.000 0.000 0.301 217 F C 1.544 177.417 175.800 0.121 0.000 1.076 217 F CA 1.026 59.129 58.000 0.173 0.000 1.383 217 F CB -0.283 38.801 39.000 0.142 0.000 1.055 217 F HN 0.659 nan 8.300 nan 0.000 0.526 218 I N 0.297 120.909 120.570 0.070 0.000 2.264 218 I HA -0.237 3.933 4.170 0.000 0.000 0.248 218 I C 2.277 178.327 176.117 -0.112 0.000 1.111 218 I CA 1.160 62.377 61.300 -0.138 0.000 1.382 218 I CB -1.264 36.566 38.000 -0.283 0.000 1.060 218 I HN 0.171 nan 8.210 nan 0.000 0.418 219 E N 0.211 120.503 120.200 0.153 0.000 2.110 219 E HA -0.187 4.163 4.350 0.000 0.000 0.193 219 E C 2.323 178.933 176.600 0.017 0.000 0.988 219 E CA 1.367 57.863 56.400 0.161 0.000 0.804 219 E CB -0.217 29.629 29.700 0.243 0.000 0.745 219 E HN 0.359 nan 8.360 nan 0.000 0.458 220 S N 0.410 116.097 115.700 -0.021 0.000 2.368 220 S HA -0.060 4.410 4.470 0.000 0.000 0.224 220 S C 2.125 176.643 174.600 -0.138 0.000 1.029 220 S CA 0.563 58.746 58.200 -0.029 0.000 0.988 220 S CB -0.120 63.190 63.200 0.185 0.000 0.838 220 S HN 0.150 nan 8.310 nan 0.000 0.462 221 L N 0.773 121.728 121.223 -0.445 0.000 2.083 221 L HA -0.086 4.254 4.340 0.000 0.000 0.209 221 L C 2.627 179.086 176.870 -0.685 0.000 1.083 221 L CA 1.352 55.889 54.840 -0.505 0.000 0.752 221 L CB -0.413 41.321 42.059 -0.543 0.000 0.899 221 L HN 0.289 nan 8.230 nan 0.000 0.433 222 K N -1.271 118.717 120.400 -0.686 0.000 2.097 222 K HA -0.197 4.123 4.320 0.000 0.000 0.205 222 K C 2.189 178.662 176.600 -0.211 0.000 1.050 222 K CA 0.927 56.811 56.287 -0.672 0.000 0.938 222 K CB -0.242 32.046 32.500 -0.353 0.000 0.718 222 K HN 0.338 nan 8.250 nan 0.000 0.442 223 H N 1.200 120.202 119.070 -0.114 0.000 2.357 223 H HA -0.132 4.424 4.556 0.000 0.000 0.301 223 H C 1.607 176.990 175.328 0.092 0.000 1.082 223 H CA 1.903 57.991 56.048 0.066 0.000 1.342 223 H CB 0.164 29.880 29.762 -0.076 0.000 1.389 223 H HN 0.218 nan 8.280 nan 0.000 0.511 224 D N 0.095 120.569 120.400 0.124 0.000 2.117 224 D HA -0.172 4.468 4.640 0.000 0.000 0.197 224 D C 1.959 178.381 176.300 0.203 0.000 0.987 224 D CA 1.519 55.620 54.000 0.167 0.000 0.829 224 D CB -0.364 40.599 40.800 0.272 0.000 0.961 224 D HN 0.373 nan 8.370 nan 0.000 0.460 225 D N -0.958 119.452 120.400 0.017 0.000 2.190 225 D HA -0.147 4.493 4.640 0.000 0.000 0.200 225 D C 1.914 178.250 176.300 0.062 0.000 0.992 225 D CA 1.127 55.129 54.000 0.004 0.000 0.854 225 D CB -0.038 40.600 40.800 -0.269 0.000 0.936 225 D HN 0.403 nan 8.370 nan 0.000 0.462 226 I N -1.224 119.349 120.570 0.005 0.000 2.499 226 I HA -0.088 4.082 4.170 0.000 0.000 0.243 226 I C 1.584 177.695 176.117 -0.010 0.000 1.085 226 I CA 0.221 61.451 61.300 -0.116 0.000 1.422 226 I CB -0.244 37.569 38.000 -0.312 0.000 1.165 226 I HN -0.054 nan 8.210 nan 0.000 0.440 227 F N 1.300 121.216 119.950 -0.057 0.000 2.234 227 F HA -0.098 4.429 4.527 0.000 0.000 0.299 227 F C 2.507 178.301 175.800 -0.011 0.000 1.087 227 F CA 1.234 59.234 58.000 -0.000 0.000 1.340 227 F CB -0.698 38.209 39.000 -0.155 0.000 1.031 227 F HN 0.006 nan 8.300 nan 0.000 0.500 228 A N -2.069 120.820 122.820 0.116 0.000 2.123 228 A HA -0.016 4.305 4.320 0.000 0.000 0.214 228 A C 1.003 178.264 177.584 -0.539 0.000 1.152 228 A CA 0.859 52.773 52.037 -0.204 0.000 0.728 228 A CB -0.709 18.118 19.000 -0.289 0.000 0.814 228 A HN 0.468 nan 8.150 nan 0.000 0.464 229 Y N -1.308 119.010 120.300 0.029 0.000 2.527 229 Y HA 0.308 4.858 4.550 0.000 0.000 0.247 229 Y C 0.405 176.269 175.900 -0.060 0.000 1.138 229 Y CA -0.634 57.459 58.100 -0.011 0.000 1.228 229 Y CB 0.522 38.968 38.460 -0.024 0.000 1.252 229 Y HN 0.234 nan 8.280 nan 0.000 0.531 230 E N 1.539 121.748 120.200 0.015 0.000 2.167 230 E HA 0.231 4.581 4.350 0.000 0.000 0.284 230 E C 0.332 176.923 176.600 -0.014 0.000 1.016 230 E CA -0.037 56.286 56.400 -0.127 0.000 0.817 230 E CB 0.853 30.283 29.700 -0.451 0.000 1.080 230 E HN 0.167 nan 8.360 nan 0.000 0.397 231 K N 3.308 123.682 120.400 -0.044 0.000 2.361 231 K HA 0.119 4.439 4.320 0.000 0.000 0.196 231 K C 0.489 177.118 176.600 0.050 0.000 1.039 231 K CA 0.242 56.541 56.287 0.019 0.000 1.001 231 K CB 0.391 32.892 32.500 0.002 0.000 0.795 231 K HN 0.288 nan 8.250 nan 0.000 0.495 232 R N 0.280 120.754 120.500 -0.043 0.000 2.604 232 R HA 0.322 4.663 4.340 0.000 0.000 0.281 232 R C -1.754 174.452 176.300 -0.157 0.000 1.020 232 R CA -0.488 55.620 56.100 0.013 0.000 0.899 232 R CB 0.963 31.253 30.300 -0.017 0.000 1.205 232 R HN -0.213 nan 8.270 nan 0.000 0.450 233 F N 1.402 121.343 119.950 -0.016 0.000 2.561 233 F HA 0.534 5.062 4.527 0.000 0.000 0.321 233 F C -0.110 175.740 175.800 0.083 0.000 1.065 233 F CA -0.476 57.514 58.000 -0.017 0.000 0.934 233 F CB 2.292 41.292 39.000 -0.001 0.000 1.215 233 F HN 0.353 nan 8.300 nan 0.000 0.471 234 D N 0.517 121.046 120.400 0.215 0.000 2.645 234 D HA 0.299 4.939 4.640 0.000 0.000 0.228 234 D C -1.206 175.209 176.300 0.192 0.000 1.148 234 D CA -0.513 53.609 54.000 0.204 0.000 0.860 234 D CB 2.936 43.802 40.800 0.109 0.000 1.548 234 D HN 0.677 nan 8.370 nan 0.000 0.460 235 E N 0.300 120.636 120.200 0.227 0.000 2.263 235 E HA 0.587 4.937 4.350 0.000 0.000 0.264 235 E C -0.567 176.119 176.600 0.144 0.000 0.923 235 E CA -0.838 55.681 56.400 0.199 0.000 0.802 235 E CB 1.906 31.802 29.700 0.327 0.000 1.228 235 E HN 0.286 nan 8.360 nan 0.000 0.417 236 I N 2.135 122.765 120.570 0.100 0.000 2.371 236 I HA 0.079 4.249 4.170 0.000 0.000 0.290 236 I C -0.036 176.101 176.117 0.033 0.000 1.028 236 I CA -0.966 60.370 61.300 0.060 0.000 1.345 236 I CB 1.353 39.373 38.000 0.033 0.000 1.407 236 I HN 0.384 nan 8.210 nan 0.000 0.501 237 V N 6.991 126.929 119.914 0.041 0.000 2.617 237 V HA -0.093 4.027 4.120 0.000 0.000 0.304 237 V C 0.608 176.683 176.094 -0.031 0.000 1.040 237 V CA 0.791 63.110 62.300 0.032 0.000 1.149 237 V CB 0.184 32.039 31.823 0.054 0.000 0.914 237 V HN 0.939 nan 8.190 nan 0.000 0.487 238 D N 2.142 122.514 120.400 -0.045 0.000 3.077 238 D HA -0.131 4.510 4.640 0.000 0.000 0.212 238 D C 0.441 176.310 176.300 -0.718 0.000 1.125 238 D CA 1.672 55.557 54.000 -0.192 0.000 0.970 238 D CB -1.348 39.415 40.800 -0.062 0.000 1.110 238 D HN 1.610 nan 8.370 nan 0.000 0.419 239 G N -0.666 107.681 108.800 -0.755 0.000 2.841 239 G HA2 -0.001 3.959 3.960 0.000 0.000 0.684 239 G HA3 -0.001 3.959 3.960 0.000 0.000 0.684 239 G C 0.697 175.459 174.900 -0.230 0.000 1.273 239 G CA -0.023 44.666 45.100 -0.686 0.000 0.811 239 G HN -0.054 nan 8.290 nan 0.000 0.631 240 M N 1.434 120.978 119.600 -0.093 0.000 2.213 240 M HA -0.048 4.432 4.480 0.000 0.000 0.263 240 M C 2.256 178.537 176.300 -0.032 0.000 1.062 240 M CA 2.201 57.490 55.300 -0.019 0.000 1.105 240 M CB -0.983 31.635 32.600 0.030 0.000 1.385 240 M HN 0.842 nan 8.290 nan 0.000 0.417 241 D N -0.262 120.106 120.400 -0.053 0.000 2.392 241 D HA -0.139 4.501 4.640 0.000 0.000 0.228 241 D C 1.415 177.676 176.300 -0.064 0.000 1.003 241 D CA 0.659 54.630 54.000 -0.048 0.000 0.917 241 D CB -0.320 40.452 40.800 -0.047 0.000 0.890 241 D HN 0.113 nan 8.370 nan 0.000 0.532 242 K N 0.068 120.423 120.400 -0.075 0.000 2.147 242 K HA -0.069 4.251 4.320 0.000 0.000 0.205 242 K C 1.943 178.508 176.600 -0.058 0.000 1.049 242 K CA 0.314 56.561 56.287 -0.067 0.000 0.936 242 K CB -0.536 31.929 32.500 -0.059 0.000 0.722 242 K HN 0.279 nan 8.250 nan 0.000 0.446 243 L N 2.173 123.376 121.223 -0.032 0.000 1.988 243 L HA -0.077 4.264 4.340 0.000 0.000 0.207 243 L C -1.090 175.712 176.870 -0.113 0.000 1.071 243 L CA 1.907 56.734 54.840 -0.022 0.000 0.744 243 L CB -1.403 40.678 42.059 0.038 0.000 0.893 243 L HN 0.051 nan 8.230 nan 0.000 0.433 244 P HA -0.121 nan 4.420 nan 0.000 0.218 244 P C 1.464 178.731 177.300 -0.056 0.000 1.149 244 P CA 1.702 64.755 63.100 -0.078 0.000 0.817 244 P CB -0.220 31.456 31.700 -0.040 0.000 0.785 245 T N 0.307 114.832 114.554 -0.047 0.000 2.708 245 T HA -0.080 4.270 4.350 0.000 0.000 0.266 245 T C 2.089 176.762 174.700 -0.044 0.000 1.037 245 T CA 1.806 63.923 62.100 0.029 0.000 1.146 245 T CB -0.791 68.073 68.868 -0.006 0.000 0.865 245 T HN 0.090 nan 8.240 nan 0.000 0.435 246 A N 1.136 123.812 122.820 -0.240 0.000 1.902 246 A HA -0.019 4.301 4.320 0.000 0.000 0.217 246 A C 2.310 179.416 177.584 -0.796 0.000 1.181 246 A CA 1.685 53.431 52.037 -0.486 0.000 0.623 246 A CB -0.689 17.955 19.000 -0.594 0.000 0.818 246 A HN 0.497 nan 8.150 nan 0.000 0.443 247 M N -1.777 117.309 119.600 -0.858 0.000 2.117 247 M HA -0.137 4.343 4.480 0.000 0.000 0.262 247 M C 2.129 178.332 176.300 -0.162 0.000 1.065 247 M CA 2.152 57.060 55.300 -0.654 0.000 1.114 247 M CB -0.300 32.048 32.600 -0.421 0.000 1.361 247 M HN 0.606 nan 8.290 nan 0.000 0.408 248 Y N 0.916 121.112 120.300 -0.173 0.000 2.114 248 Y HA -0.200 4.351 4.550 0.000 0.000 0.284 248 Y C 2.074 177.963 175.900 -0.018 0.000 1.143 248 Y CA 1.824 59.896 58.100 -0.047 0.000 1.135 248 Y CB -0.615 37.853 38.460 0.015 0.000 0.980 248 Y HN 0.153 nan 8.280 nan 0.000 0.499 249 R N 0.301 120.499 120.500 -0.503 0.000 2.159 249 R HA -0.192 4.148 4.340 0.000 0.000 0.237 249 R C 2.024 178.149 176.300 -0.291 0.000 1.131 249 R CA 1.380 57.158 56.100 -0.537 0.000 0.982 249 R CB -0.528 29.618 30.300 -0.257 0.000 0.868 249 R HN 0.527 nan 8.270 nan 0.000 0.453 250 D N 1.188 121.503 120.400 -0.142 0.000 2.219 250 D HA -0.101 4.540 4.640 0.000 0.000 0.205 250 D C 1.233 177.534 176.300 0.001 0.000 0.970 250 D CA 0.956 54.974 54.000 0.030 0.000 0.851 250 D CB 0.306 41.286 40.800 0.300 0.000 0.943 250 D HN 0.360 nan 8.370 nan 0.000 0.488 251 I N -1.741 118.802 120.570 -0.045 0.000 3.658 251 I HA 0.224 4.394 4.170 0.000 0.000 0.328 251 I C 1.600 177.654 176.117 -0.104 0.000 1.567 251 I CA -0.522 60.753 61.300 -0.042 0.000 1.078 251 I CB 0.380 38.394 38.000 0.024 0.000 1.267 251 I HN -0.220 nan 8.210 nan 0.000 0.495 252 Q N 3.001 122.647 119.800 -0.256 0.000 2.118 252 Q HA -0.272 4.069 4.340 0.000 0.000 0.211 252 Q C 1.520 177.487 176.000 -0.056 0.000 0.998 252 Q CA 2.945 58.548 55.803 -0.334 0.000 0.872 252 Q CB -0.044 28.436 28.738 -0.430 0.000 0.925 252 Q HN 0.806 nan 8.270 nan 0.000 0.414 253 D N -0.773 119.604 120.400 -0.038 0.000 2.392 253 D HA -0.136 4.504 4.640 0.000 0.000 0.228 253 D C 0.642 176.962 176.300 0.033 0.000 1.003 253 D CA 0.777 54.789 54.000 0.020 0.000 0.917 253 D CB -0.026 40.778 40.800 0.006 0.000 0.890 253 D HN 0.376 nan 8.370 nan 0.000 0.532 254 K N 0.134 120.527 120.400 -0.012 0.000 2.358 254 K HA 0.202 4.522 4.320 0.000 0.000 0.200 254 K C -0.051 176.447 176.600 -0.171 0.000 1.030 254 K CA -0.126 56.117 56.287 -0.073 0.000 1.097 254 K CB 1.896 34.359 32.500 -0.062 0.000 0.862 254 K HN -0.038 nan 8.250 nan 0.000 0.534 255 V N 2.086 121.946 119.914 -0.090 0.000 2.398 255 V HA 0.197 4.318 4.120 0.000 0.000 0.286 255 V C -0.506 175.469 176.094 -0.199 0.000 1.026 255 V CA -0.766 61.401 62.300 -0.222 0.000 0.868 255 V CB 0.983 32.710 31.823 -0.159 0.000 0.982 255 V HN 0.235 nan 8.190 nan 0.000 0.443 256 H N 4.439 123.246 119.070 -0.438 0.000 2.511 256 H HA 0.496 5.052 4.556 0.000 0.000 0.328 256 H C -0.970 174.068 175.328 -0.484 0.000 1.044 256 H CA -0.617 55.207 56.048 -0.373 0.000 1.212 256 H CB 1.363 30.952 29.762 -0.289 0.000 1.428 256 H HN 0.480 nan 8.280 nan 0.000 0.483 257 F N 0.826 120.787 119.950 0.019 0.000 2.380 257 F HA 0.125 4.652 4.527 0.000 0.000 0.319 257 F C 1.072 176.847 175.800 -0.042 0.000 1.113 257 F CA -0.922 57.045 58.000 -0.056 0.000 1.056 257 F CB 0.543 39.496 39.000 -0.078 0.000 1.289 257 F HN 0.640 nan 8.300 nan 0.000 0.515 258 N N -0.701 118.100 118.700 0.168 0.000 2.725 258 N HA -0.158 4.583 4.740 0.000 0.000 0.249 258 N C -1.001 174.562 175.510 0.088 0.000 1.103 258 N CA 0.618 53.730 53.050 0.103 0.000 0.707 258 N CB -1.045 37.507 38.487 0.107 0.000 1.043 258 N HN 0.665 nan 8.380 nan 0.000 0.553 259 A N 0.677 123.509 122.820 0.020 0.000 2.536 259 A HA 0.418 4.739 4.320 0.000 0.000 0.329 259 A C -0.093 177.482 177.584 -0.016 0.000 1.321 259 A CA -0.420 51.613 52.037 -0.007 0.000 0.804 259 A CB 0.715 19.508 19.000 -0.345 0.000 1.126 259 A HN 0.294 nan 8.150 nan 0.000 0.480 260 Q N 2.531 122.390 119.800 0.098 0.000 2.349 260 Q HA 0.451 4.791 4.340 0.000 0.000 0.254 260 Q C -0.778 175.297 176.000 0.124 0.000 0.980 260 Q CA -0.336 55.516 55.803 0.082 0.000 0.924 260 Q CB 0.923 29.733 28.738 0.121 0.000 1.209 260 Q HN 0.493 nan 8.270 nan 0.000 0.445 261 V N 6.934 126.894 119.914 0.077 0.000 2.585 261 V HA -0.045 4.075 4.120 0.000 0.000 0.296 261 V C 1.083 177.200 176.094 0.037 0.000 1.035 261 V CA 0.764 63.111 62.300 0.078 0.000 1.084 261 V CB 0.410 32.240 31.823 0.013 0.000 0.953 261 V HN 0.851 nan 8.190 nan 0.000 0.483 262 I N 1.009 121.589 120.570 0.018 0.000 4.403 262 I HA 0.459 4.629 4.170 0.000 0.000 0.331 262 I C 0.423 176.491 176.117 -0.083 0.000 1.327 262 I CA 0.015 61.305 61.300 -0.016 0.000 1.175 262 I CB 0.278 38.283 38.000 0.007 0.000 1.165 262 I HN 0.408 nan 8.210 nan 0.000 0.413 263 K N 2.009 122.341 120.400 -0.115 0.000 2.523 263 K HA 0.697 5.018 4.320 0.000 0.000 0.257 263 K C -1.394 175.074 176.600 -0.220 0.000 0.932 263 K CA -0.511 55.671 56.287 -0.175 0.000 0.812 263 K CB 3.304 35.746 32.500 -0.097 0.000 1.326 263 K HN 0.020 nan 8.250 nan 0.000 0.433 264 I N 1.749 122.119 120.570 -0.334 0.000 2.534 264 I HA 0.161 4.331 4.170 0.000 0.000 0.286 264 I C -0.943 175.105 176.117 -0.116 0.000 1.094 264 I CA -0.675 60.471 61.300 -0.257 0.000 1.055 264 I CB 2.189 39.948 38.000 -0.402 0.000 1.225 264 I HN 0.413 nan 8.210 nan 0.000 0.435 265 Q N 6.520 126.297 119.800 -0.038 0.000 2.387 265 Q HA 0.732 5.072 4.340 0.000 0.000 0.273 265 Q C -1.470 174.545 176.000 0.024 0.000 1.089 265 Q CA -0.634 55.176 55.803 0.012 0.000 0.824 265 Q CB 2.832 31.570 28.738 -0.001 0.000 1.367 265 Q HN 0.765 nan 8.270 nan 0.000 0.443 266 Q N 1.078 120.902 119.800 0.040 0.000 2.418 266 Q HA 0.681 5.021 4.340 0.000 0.000 0.282 266 Q C -1.231 174.782 176.000 0.022 0.000 1.044 266 Q CA -0.886 54.933 55.803 0.027 0.000 0.813 266 Q CB 1.808 30.572 28.738 0.043 0.000 1.428 266 Q HN 0.807 nan 8.270 nan 0.000 0.402 267 N N -0.909 117.794 118.700 0.005 0.000 3.091 267 N HA 0.258 4.998 4.740 0.000 0.000 0.329 267 N C -0.562 174.947 175.510 -0.002 0.000 1.430 267 N CA -0.205 52.848 53.050 0.005 0.000 0.755 267 N CB 0.494 38.982 38.487 0.001 0.000 1.626 267 N HN 0.407 nan 8.380 nan 0.000 0.614 268 D N -2.111 118.289 120.400 0.000 0.000 2.350 268 D HA -0.010 4.630 4.640 0.000 0.000 0.216 268 D C 1.538 177.826 176.300 -0.019 0.000 0.968 268 D CA 1.885 55.884 54.000 -0.002 0.000 0.894 268 D CB -0.169 40.635 40.800 0.007 0.000 0.909 268 D HN 0.677 nan 8.370 nan 0.000 0.520 269 Q N -0.766 119.017 119.800 -0.028 0.000 2.431 269 Q HA 0.221 4.561 4.340 0.000 0.000 0.244 269 Q C 1.056 177.007 176.000 -0.081 0.000 0.880 269 Q CA 0.334 56.109 55.803 -0.046 0.000 0.954 269 Q CB 0.519 29.242 28.738 -0.025 0.000 1.105 269 Q HN 0.135 nan 8.270 nan 0.000 0.558 270 K N -1.406 118.954 120.400 -0.067 0.000 2.469 270 K HA 0.751 5.071 4.320 0.000 0.000 0.268 270 K C -1.518 175.044 176.600 -0.064 0.000 1.027 270 K CA -0.695 55.543 56.287 -0.081 0.000 0.893 270 K CB 1.628 34.100 32.500 -0.046 0.000 1.460 270 K HN 0.244 nan 8.250 nan 0.000 0.449 271 V N 0.263 120.136 119.914 -0.069 0.000 2.735 271 V HA 0.633 4.753 4.120 0.000 0.000 0.310 271 V C -1.286 174.785 176.094 -0.038 0.000 1.061 271 V CA -0.187 62.088 62.300 -0.042 0.000 0.913 271 V CB 2.118 33.918 31.823 -0.038 0.000 1.005 271 V HN 0.764 nan 8.190 nan 0.000 0.428 272 T N 5.494 120.033 114.554 -0.025 0.000 2.812 272 T HA 0.600 4.950 4.350 0.000 0.000 0.282 272 T C -0.864 173.820 174.700 -0.026 0.000 0.990 272 T CA -0.307 61.780 62.100 -0.020 0.000 0.960 272 T CB 1.443 70.302 68.868 -0.014 0.000 0.948 272 T HN 0.575 nan 8.240 nan 0.000 0.438 273 V N 4.118 124.027 119.914 -0.009 0.000 2.384 273 V HA 0.500 4.620 4.120 0.000 0.000 0.287 273 V C -0.167 175.958 176.094 0.052 0.000 1.020 273 V CA -0.737 61.567 62.300 0.006 0.000 0.850 273 V CB 1.721 33.556 31.823 0.019 0.000 0.987 273 V HN 0.690 nan 8.190 nan 0.000 0.436 274 V N 6.332 126.255 119.914 0.015 0.000 2.435 274 V HA 0.607 4.728 4.120 0.000 0.000 0.290 274 V C -0.703 175.427 176.094 0.060 0.000 1.030 274 V CA -0.599 61.690 62.300 -0.019 0.000 0.881 274 V CB 1.398 33.184 31.823 -0.063 0.000 0.983 274 V HN 0.888 nan 8.190 nan 0.000 0.445 275 Y N 1.325 121.615 120.300 -0.016 0.000 2.553 275 Y HA 0.792 5.342 4.550 0.000 0.000 0.347 275 Y C -0.377 175.526 175.900 0.005 0.000 1.019 275 Y CA -1.343 56.753 58.100 -0.007 0.000 1.032 275 Y CB 1.254 39.715 38.460 0.001 0.000 1.284 275 Y HN 0.598 nan 8.280 nan 0.000 0.466 276 E N 1.202 121.510 120.200 0.180 0.000 2.283 276 E HA 0.541 4.891 4.350 0.000 0.000 0.267 276 E C -0.446 176.274 176.600 0.200 0.000 1.045 276 E CA -0.638 55.825 56.400 0.104 0.000 0.884 276 E CB 1.685 31.436 29.700 0.085 0.000 1.106 276 E HN 0.841 nan 8.360 nan 0.000 0.408 277 T N -2.325 112.301 114.554 0.120 0.000 2.724 277 T HA 0.330 4.680 4.350 0.000 0.000 0.274 277 T C 0.916 175.667 174.700 0.085 0.000 0.984 277 T CA -0.835 61.346 62.100 0.135 0.000 1.024 277 T CB 0.200 69.138 68.868 0.116 0.000 1.320 277 T HN 0.344 nan 8.240 nan 0.000 0.555 278 L N 0.977 122.243 121.223 0.073 0.000 2.376 278 L HA 0.138 4.478 4.340 0.000 0.000 0.219 278 L C 1.711 178.603 176.870 0.036 0.000 1.133 278 L CA 0.559 55.431 54.840 0.053 0.000 0.816 278 L CB -0.474 41.614 42.059 0.047 0.000 0.933 278 L HN 0.818 nan 8.230 nan 0.000 0.449 279 S N -1.495 114.223 115.700 0.030 0.000 2.677 279 S HA 0.261 4.731 4.470 0.000 0.000 0.290 279 S C 0.919 175.525 174.600 0.011 0.000 1.124 279 S CA -0.801 57.409 58.200 0.016 0.000 1.017 279 S CB 0.966 64.172 63.200 0.010 0.000 1.215 279 S HN -0.062 nan 8.310 nan 0.000 0.524 280 K N 0.504 120.905 120.400 0.001 0.000 2.418 280 K HA 0.127 4.447 4.320 0.000 0.000 0.195 280 K C 0.557 177.145 176.600 -0.019 0.000 1.035 280 K CA 0.180 56.464 56.287 -0.006 0.000 1.003 280 K CB -0.303 32.193 32.500 -0.007 0.000 0.793 280 K HN 0.721 nan 8.250 nan 0.000 0.494 281 E N 1.843 122.029 120.200 -0.023 0.000 2.376 281 E HA -0.041 4.309 4.350 0.000 0.000 0.266 281 E C -0.714 175.837 176.600 -0.081 0.000 1.009 281 E CA 0.436 56.807 56.400 -0.048 0.000 0.902 281 E CB 0.575 30.250 29.700 -0.041 0.000 0.972 281 E HN -0.149 nan 8.360 nan 0.000 0.439 282 T N 6.083 120.562 114.554 -0.126 0.000 3.241 282 T HA 0.372 4.722 4.350 0.000 0.000 0.387 282 T C -2.573 171.942 174.700 -0.310 0.000 1.451 282 T CA -2.012 59.968 62.100 -0.200 0.000 1.363 282 T CB 0.594 69.390 68.868 -0.120 0.000 1.074 282 T HN 0.317 nan 8.240 nan 0.000 0.598 283 P HA 0.267 nan 4.420 nan 0.000 0.269 283 P C -0.742 176.273 177.300 -0.475 0.000 1.217 283 P CA -0.177 62.626 63.100 -0.495 0.000 0.783 283 P CB 0.593 31.941 31.700 -0.586 0.000 0.898 284 S N 0.469 116.045 115.700 -0.206 0.000 2.521 284 S HA 0.590 5.060 4.470 0.000 0.000 0.295 284 S C -1.335 173.278 174.600 0.022 0.000 1.098 284 S CA -0.710 57.439 58.200 -0.085 0.000 0.999 284 S CB 0.753 63.917 63.200 -0.060 0.000 1.034 284 S HN 0.250 nan 8.310 nan 0.000 0.483 285 V N 4.870 124.834 119.914 0.083 0.000 2.577 285 V HA 0.722 4.842 4.120 0.000 0.000 0.303 285 V C -0.664 175.466 176.094 0.061 0.000 1.042 285 V CA -0.142 62.231 62.300 0.121 0.000 0.872 285 V CB 1.959 33.901 31.823 0.199 0.000 0.998 285 V HN 0.952 nan 8.190 nan 0.000 0.423 286 T N 6.324 120.922 114.554 0.073 0.000 2.829 286 T HA 0.891 5.242 4.350 0.000 0.000 0.282 286 T C -0.017 174.703 174.700 0.033 0.000 0.990 286 T CA 0.237 62.357 62.100 0.035 0.000 1.028 286 T CB 1.505 70.399 68.868 0.044 0.000 0.951 286 T HN 1.296 nan 8.240 nan 0.000 0.460 287 A N 1.716 124.486 122.820 -0.083 0.000 2.533 287 A HA 0.668 4.988 4.320 0.000 0.000 0.293 287 A C 0.204 177.714 177.584 -0.124 0.000 1.228 287 A CA -0.674 51.252 52.037 -0.185 0.000 0.689 287 A CB 0.804 19.441 19.000 -0.604 0.000 1.303 287 A HN 0.674 nan 8.150 nan 0.000 0.444 288 D N -1.271 119.059 120.400 -0.117 0.000 2.216 288 D HA 0.163 4.803 4.640 0.000 0.000 0.208 288 D C -0.590 175.358 176.300 -0.586 0.000 0.960 288 D CA 1.841 55.663 54.000 -0.297 0.000 0.861 288 D CB 0.186 40.883 40.800 -0.171 0.000 0.985 288 D HN 0.457 nan 8.370 nan 0.000 0.493 289 Y N -1.057 119.213 120.300 -0.050 0.000 2.625 289 Y HA 0.447 4.997 4.550 0.000 0.000 0.338 289 Y C -0.611 175.247 175.900 -0.069 0.000 1.123 289 Y CA -1.137 56.950 58.100 -0.021 0.000 1.046 289 Y CB 2.358 40.789 38.460 -0.048 0.000 1.299 289 Y HN -0.360 nan 8.280 nan 0.000 0.464 290 V N 3.437 123.449 119.914 0.163 0.000 2.808 290 V HA 0.632 4.752 4.120 0.000 0.000 0.308 290 V C -1.644 174.470 176.094 0.035 0.000 1.099 290 V CA -0.714 61.608 62.300 0.036 0.000 0.920 290 V CB 1.679 33.498 31.823 -0.007 0.000 1.014 290 V HN 0.668 nan 8.190 nan 0.000 0.425 291 I N 6.852 127.403 120.570 -0.031 0.000 2.382 291 I HA 0.414 4.584 4.170 0.000 0.000 0.285 291 I C -0.389 175.675 176.117 -0.090 0.000 1.007 291 I CA -0.920 60.349 61.300 -0.053 0.000 1.142 291 I CB 1.883 39.856 38.000 -0.045 0.000 1.289 291 I HN 0.303 nan 8.210 nan 0.000 0.453 292 V N 5.830 125.625 119.914 -0.198 0.000 2.408 292 V HA 0.059 4.179 4.120 0.000 0.000 0.267 292 V C 0.342 176.486 176.094 0.085 0.000 1.047 292 V CA -0.107 62.151 62.300 -0.071 0.000 0.937 292 V CB 0.932 32.685 31.823 -0.117 0.000 0.999 292 V HN 0.911 nan 8.190 nan 0.000 0.472 293 C N 3.676 123.036 119.300 0.099 0.000 2.660 293 C HA 0.307 4.767 4.460 0.000 0.000 0.265 293 C C 1.333 176.419 174.990 0.161 0.000 1.573 293 C CA -0.402 58.692 59.018 0.125 0.000 1.751 293 C CB -1.193 26.577 27.740 0.049 0.000 3.033 293 C HN 0.958 nan 8.230 nan 0.000 0.511 294 T N -1.252 113.434 114.554 0.220 0.000 2.849 294 T HA 0.536 4.886 4.350 0.000 0.000 0.276 294 T C 0.477 175.346 174.700 0.281 0.000 0.971 294 T CA -0.012 62.206 62.100 0.196 0.000 0.949 294 T CB 0.789 69.757 68.868 0.166 0.000 1.093 294 T HN 0.407 nan 8.240 nan 0.000 0.545 295 T N -0.621 114.044 114.554 0.185 0.000 2.813 295 T HA 0.243 4.594 4.350 0.000 0.000 0.297 295 T C 1.717 176.388 174.700 -0.048 0.000 1.036 295 T CA -0.188 62.004 62.100 0.154 0.000 1.044 295 T CB 0.467 69.338 68.868 0.004 0.000 0.993 295 T HN 0.849 nan 8.240 nan 0.000 0.535 296 S N 1.188 116.644 115.700 -0.407 0.000 2.382 296 S HA -0.184 4.286 4.470 0.000 0.000 0.228 296 S C 2.010 176.447 174.600 -0.272 0.000 1.027 296 S CA 0.642 58.438 58.200 -0.674 0.000 0.991 296 S CB -0.554 62.107 63.200 -0.899 0.000 0.823 296 S HN 0.739 nan 8.310 nan 0.000 0.469 297 R N 1.523 121.886 120.500 -0.228 0.000 2.096 297 R HA 0.108 4.448 4.340 0.000 0.000 0.235 297 R C 2.727 178.989 176.300 -0.062 0.000 1.127 297 R CA 1.183 57.192 56.100 -0.153 0.000 0.968 297 R CB -0.745 29.429 30.300 -0.210 0.000 0.861 297 R HN 0.572 nan 8.270 nan 0.000 0.440 298 A N 0.691 123.492 122.820 -0.031 0.000 2.019 298 A HA -0.098 4.223 4.320 0.000 0.000 0.219 298 A C 2.276 179.923 177.584 0.105 0.000 1.164 298 A CA 1.175 53.243 52.037 0.053 0.000 0.644 298 A CB -0.363 18.692 19.000 0.092 0.000 0.805 298 A HN 0.115 nan 8.150 nan 0.000 0.449 299 V N 0.114 120.099 119.914 0.118 0.000 2.407 299 V HA -0.266 3.854 4.120 0.000 0.000 0.248 299 V C 2.443 178.692 176.094 0.258 0.000 1.055 299 V CA 2.134 64.583 62.300 0.248 0.000 1.049 299 V CB -0.846 31.113 31.823 0.226 0.000 0.662 299 V HN 0.549 nan 8.190 nan 0.000 0.455 300 R N -0.321 120.250 120.500 0.119 0.000 2.285 300 R HA 0.024 4.364 4.340 0.000 0.000 0.213 300 R C 1.938 178.306 176.300 0.114 0.000 1.068 300 R CA 0.816 56.978 56.100 0.103 0.000 1.004 300 R CB -0.241 30.074 30.300 0.025 0.000 0.873 300 R HN 0.459 nan 8.270 nan 0.000 0.467 301 L N 0.397 121.685 121.223 0.109 0.000 2.509 301 L HA 0.142 4.483 4.340 0.000 0.000 0.222 301 L C 0.710 177.628 176.870 0.079 0.000 1.123 301 L CA 0.131 55.020 54.840 0.081 0.000 0.856 301 L CB 0.114 42.214 42.059 0.068 0.000 0.985 301 L HN 0.063 nan 8.230 nan 0.000 0.456 302 I N 0.714 121.351 120.570 0.113 0.000 2.395 302 I HA 0.064 4.235 4.170 0.000 0.000 0.289 302 I C 0.539 176.641 176.117 -0.025 0.000 1.023 302 I CA -0.107 61.182 61.300 -0.019 0.000 1.350 302 I CB 1.086 39.005 38.000 -0.135 0.000 1.409 302 I HN -0.019 nan 8.210 nan 0.000 0.507 303 K N 6.733 127.068 120.400 -0.108 0.000 2.285 303 K HA 0.346 4.666 4.320 0.000 0.000 0.286 303 K C -1.308 175.205 176.600 -0.145 0.000 1.072 303 K CA -0.277 55.993 56.287 -0.028 0.000 0.913 303 K CB 0.457 32.947 32.500 -0.017 0.000 1.067 303 K HN 0.288 nan 8.250 nan 0.000 0.479 304 F N 2.879 122.858 119.950 0.049 0.000 2.422 304 F HA 0.303 4.831 4.527 0.000 0.000 0.333 304 F C 0.391 176.215 175.800 0.040 0.000 1.095 304 F CA -0.561 57.471 58.000 0.054 0.000 1.038 304 F CB 1.532 40.578 39.000 0.078 0.000 1.156 304 F HN 0.540 nan 8.300 nan 0.000 0.483 305 N N 4.114 122.928 118.700 0.191 0.000 2.533 305 N HA 0.325 5.065 4.740 0.000 0.000 0.289 305 N C -2.951 172.625 175.510 0.110 0.000 1.103 305 N CA -1.791 51.331 53.050 0.119 0.000 0.877 305 N CB 1.905 40.429 38.487 0.061 0.000 1.419 305 N HN 0.165 nan 8.380 nan 0.000 0.517 306 P HA 0.179 nan 4.420 nan 0.000 0.272 306 P C -2.762 174.623 177.300 0.141 0.000 1.230 306 P CA -0.826 62.333 63.100 0.098 0.000 0.788 306 P CB 0.217 31.957 31.700 0.067 0.000 0.949 307 P HA 0.095 nan 4.420 nan 0.000 0.270 307 P C 0.072 177.398 177.300 0.042 0.000 1.223 307 P CA 0.053 63.227 63.100 0.123 0.000 0.785 307 P CB 0.577 32.326 31.700 0.082 0.000 0.923 308 L N 1.846 123.038 121.223 -0.050 0.000 2.490 308 L HA 0.076 4.417 4.340 0.000 0.000 0.274 308 L C 1.198 178.018 176.870 -0.084 0.000 1.201 308 L CA -0.242 54.504 54.840 -0.157 0.000 0.869 308 L CB -0.409 41.447 42.059 -0.339 0.000 1.123 308 L HN 0.280 nan 8.230 nan 0.000 0.484 309 L N 4.892 126.074 121.223 -0.069 0.000 2.482 309 L HA -0.011 4.329 4.340 0.000 0.000 0.273 309 L C -1.101 175.744 176.870 -0.042 0.000 1.228 309 L CA -1.158 53.658 54.840 -0.040 0.000 0.827 309 L CB -0.101 41.941 42.059 -0.030 0.000 1.099 309 L HN 0.463 nan 8.230 nan 0.000 0.494 310 P HA -0.239 nan 4.420 nan 0.000 0.217 310 P C 1.117 178.434 177.300 0.029 0.000 1.162 310 P CA 1.673 64.777 63.100 0.007 0.000 0.901 310 P CB 0.134 31.846 31.700 0.021 0.000 0.793 311 K N -0.396 120.014 120.400 0.017 0.000 2.026 311 K HA -0.185 4.135 4.320 0.000 0.000 0.208 311 K C 2.228 178.810 176.600 -0.030 0.000 1.048 311 K CA 1.463 57.760 56.287 0.017 0.000 0.929 311 K CB -0.330 32.164 32.500 -0.011 0.000 0.713 311 K HN 0.116 nan 8.250 nan 0.000 0.439 312 K N 0.914 121.262 120.400 -0.086 0.000 2.057 312 K HA -0.091 4.229 4.320 0.000 0.000 0.206 312 K C 2.167 178.657 176.600 -0.184 0.000 1.050 312 K CA 1.121 57.305 56.287 -0.171 0.000 0.935 312 K CB -0.094 32.257 32.500 -0.248 0.000 0.715 312 K HN 0.103 nan 8.250 nan 0.000 0.439 313 A N 1.154 123.896 122.820 -0.129 0.000 1.908 313 A HA -0.242 4.078 4.320 0.000 0.000 0.218 313 A C 2.112 179.658 177.584 -0.063 0.000 1.181 313 A CA 1.928 53.901 52.037 -0.106 0.000 0.627 313 A CB -1.013 17.947 19.000 -0.067 0.000 0.818 313 A HN 0.539 nan 8.150 nan 0.000 0.445 314 H N 0.244 119.227 119.070 -0.144 0.000 2.326 314 H HA 0.030 4.586 4.556 0.000 0.000 0.301 314 H C 2.316 177.390 175.328 -0.423 0.000 1.081 314 H CA 1.669 57.630 56.048 -0.147 0.000 1.334 314 H CB -0.652 29.119 29.762 0.015 0.000 1.385 314 H HN 0.374 nan 8.280 nan 0.000 0.504 315 A N 0.971 123.481 122.820 -0.517 0.000 1.883 315 A HA -0.132 4.188 4.320 0.000 0.000 0.217 315 A C 2.856 180.037 177.584 -0.671 0.000 1.186 315 A CA 1.643 52.999 52.037 -1.135 0.000 0.624 315 A CB -1.027 17.615 19.000 -0.596 0.000 0.822 315 A HN 0.451 nan 8.150 nan 0.000 0.444 316 L N -1.132 119.865 121.223 -0.375 0.000 2.131 316 L HA -0.183 4.158 4.340 0.000 0.000 0.210 316 L C 2.784 179.528 176.870 -0.209 0.000 1.092 316 L CA 1.784 56.450 54.840 -0.290 0.000 0.759 316 L CB -0.434 41.481 42.059 -0.239 0.000 0.903 316 L HN 0.535 nan 8.230 nan 0.000 0.435 317 R N -0.340 120.064 120.500 -0.160 0.000 2.073 317 R HA -0.080 4.260 4.340 0.000 0.000 0.229 317 R C 2.110 178.383 176.300 -0.045 0.000 1.120 317 R CA 1.649 57.707 56.100 -0.071 0.000 0.967 317 R CB 0.008 30.295 30.300 -0.022 0.000 0.862 317 R HN 0.151 nan 8.270 nan 0.000 0.436 318 S N 0.042 115.672 115.700 -0.115 0.000 2.486 318 S HA 0.138 4.608 4.470 0.000 0.000 0.220 318 S C 0.288 174.852 174.600 -0.061 0.000 1.011 318 S CA -0.146 58.026 58.200 -0.047 0.000 0.921 318 S CB 0.586 63.818 63.200 0.054 0.000 0.785 318 S HN 0.059 nan 8.310 nan 0.000 0.517 319 V N 3.752 123.523 119.914 -0.238 0.000 2.539 319 V HA -0.051 4.070 4.120 0.000 0.000 0.300 319 V C 0.397 176.566 176.094 0.126 0.000 1.019 319 V CA 0.346 62.578 62.300 -0.113 0.000 1.160 319 V CB -0.510 31.236 31.823 -0.128 0.000 0.901 319 V HN 0.428 nan 8.190 nan 0.000 0.481 320 H N 5.085 124.195 119.070 0.065 0.000 2.562 320 H HA 0.462 5.019 4.556 0.000 0.000 0.352 320 H C -1.039 174.326 175.328 0.061 0.000 1.125 320 H CA -0.035 56.100 56.048 0.145 0.000 1.379 320 H CB 0.539 30.402 29.762 0.170 0.000 1.464 320 H HN 0.542 nan 8.280 nan 0.000 0.563 321 Y N 2.209 122.190 120.300 -0.531 0.000 2.462 321 Y HA 0.304 4.854 4.550 0.000 0.000 0.346 321 Y C -0.168 175.447 175.900 -0.476 0.000 0.976 321 Y CA -0.991 56.902 58.100 -0.344 0.000 1.044 321 Y CB 1.388 39.743 38.460 -0.174 0.000 1.230 321 Y HN 0.662 nan 8.280 nan 0.000 0.455 322 R N 0.825 121.279 120.500 -0.076 0.000 2.474 322 R HA 0.756 5.096 4.340 0.000 0.000 0.295 322 R C -0.659 175.698 176.300 0.095 0.000 0.980 322 R CA -0.711 55.401 56.100 0.019 0.000 0.934 322 R CB 1.315 31.644 30.300 0.049 0.000 1.101 322 R HN 0.531 nan 8.270 nan 0.000 0.469 323 S N 0.527 116.306 115.700 0.131 0.000 2.589 323 S HA 0.463 4.934 4.470 0.000 0.000 0.265 323 S C 0.139 174.856 174.600 0.195 0.000 1.342 323 S CA 0.167 58.472 58.200 0.174 0.000 1.005 323 S CB 1.193 64.501 63.200 0.181 0.000 0.909 323 S HN 0.789 nan 8.310 nan 0.000 0.555 324 G N 0.815 109.782 108.800 0.279 0.000 2.668 324 G HA2 0.522 4.482 3.960 0.000 0.000 0.284 324 G HA3 0.522 4.482 3.960 0.000 0.000 0.284 324 G C -1.191 173.968 174.900 0.432 0.000 1.456 324 G CA -0.458 44.863 45.100 0.369 0.000 1.214 324 G HN 0.559 nan 8.290 nan 0.000 0.568 325 T N 2.099 116.870 114.554 0.360 0.000 2.881 325 T HA 0.521 4.871 4.350 0.000 0.000 0.290 325 T C -0.386 174.403 174.700 0.149 0.000 1.000 325 T CA -0.584 61.642 62.100 0.208 0.000 0.978 325 T CB 1.790 70.726 68.868 0.113 0.000 0.997 325 T HN 0.396 nan 8.240 nan 0.000 0.443 326 K N 2.908 123.315 120.400 0.013 0.000 2.376 326 K HA 0.598 4.918 4.320 0.000 0.000 0.257 326 K C -0.874 175.511 176.600 -0.358 0.000 0.939 326 K CA -0.646 55.501 56.287 -0.234 0.000 0.809 326 K CB 2.106 34.398 32.500 -0.347 0.000 1.121 326 K HN 0.495 nan 8.250 nan 0.000 0.425 327 I N 3.972 124.226 120.570 -0.526 0.000 2.362 327 I HA 0.316 4.486 4.170 0.000 0.000 0.289 327 I C -0.868 174.921 176.117 -0.547 0.000 0.994 327 I CA -0.755 60.278 61.300 -0.445 0.000 1.158 327 I CB 0.633 38.334 38.000 -0.499 0.000 1.315 327 I HN 0.360 nan 8.210 nan 0.000 0.451 328 F N 6.597 126.396 119.950 -0.252 0.000 2.436 328 F HA 0.536 5.063 4.527 0.000 0.000 0.340 328 F C -0.099 175.510 175.800 -0.318 0.000 1.113 328 F CA -0.636 57.220 58.000 -0.240 0.000 1.022 328 F CB 1.159 40.062 39.000 -0.163 0.000 1.128 328 F HN 0.119 nan 8.300 nan 0.000 0.466 329 L N 3.206 124.315 121.223 -0.189 0.000 2.333 329 L HA 0.482 4.822 4.340 0.000 0.000 0.280 329 L C -0.364 176.327 176.870 -0.298 0.000 1.004 329 L CA -0.555 54.121 54.840 -0.272 0.000 0.820 329 L CB 1.945 43.866 42.059 -0.230 0.000 1.247 329 L HN 0.561 nan 8.230 nan 0.000 0.416 330 T N 1.973 116.200 114.554 -0.546 0.000 2.744 330 T HA 0.381 4.731 4.350 0.000 0.000 0.291 330 T C -0.262 174.308 174.700 -0.216 0.000 0.957 330 T CA -0.254 61.479 62.100 -0.611 0.000 1.002 330 T CB 0.509 68.685 68.868 -1.153 0.000 0.919 330 T HN 0.538 nan 8.240 nan 0.000 0.468 331 c N 2.839 121.433 118.600 -0.010 0.000 2.493 331 c HA 0.553 5.123 4.570 0.000 0.000 0.326 331 c C 1.957 176.121 174.090 0.123 0.000 1.200 331 c CA -0.805 55.629 56.329 0.175 0.000 1.739 331 c CB 1.187 43.900 42.510 0.339 0.000 2.300 331 c HN 1.020 nan 8.230 nan 0.000 0.500 332 T N -2.293 112.352 114.554 0.151 0.000 3.044 332 T HA 0.087 4.437 4.350 0.000 0.000 0.250 332 T C 0.467 175.171 174.700 0.007 0.000 1.081 332 T CA 0.456 62.614 62.100 0.096 0.000 1.040 332 T CB -0.115 68.831 68.868 0.130 0.000 0.962 332 T HN 0.640 nan 8.240 nan 0.000 0.506 333 T N 2.666 117.199 114.554 -0.035 0.000 2.892 333 T HA 0.347 4.698 4.350 0.000 0.000 0.311 333 T C -0.460 173.982 174.700 -0.430 0.000 1.033 333 T CA -0.726 61.201 62.100 -0.288 0.000 0.991 333 T CB 1.373 69.876 68.868 -0.609 0.000 0.981 333 T HN 0.170 nan 8.240 nan 0.000 0.457 334 K N 3.519 123.511 120.400 -0.681 0.000 2.278 334 K HA 0.133 4.453 4.320 0.000 0.000 0.237 334 K C 1.112 176.817 176.600 -1.491 0.000 1.229 334 K CA -0.282 55.070 56.287 -1.558 0.000 1.155 334 K CB -0.420 31.276 32.500 -1.341 0.000 1.590 334 K HN 0.687 nan 8.250 nan 0.000 0.290 335 F N -0.553 118.868 119.950 -0.882 0.000 2.236 335 F HA -0.211 4.317 4.527 0.000 0.000 0.302 335 F C 1.511 177.120 175.800 -0.318 0.000 1.073 335 F CA 0.451 58.155 58.000 -0.494 0.000 1.336 335 F CB -0.832 38.046 39.000 -0.203 0.000 1.040 335 F HN 0.426 nan 8.300 nan 0.000 0.507 336 W N 1.368 122.246 121.300 -0.702 0.000 2.465 336 W HA 0.095 4.755 4.660 0.000 0.000 0.268 336 W C 1.495 177.831 176.519 -0.304 0.000 1.242 336 W CA 0.846 57.928 57.345 -0.437 0.000 1.248 336 W CB -1.249 27.857 29.460 -0.591 0.000 1.118 336 W HN 0.100 nan 8.180 nan 0.000 0.587 337 E N 0.940 120.742 120.200 -0.663 0.000 2.338 337 E HA -0.170 4.180 4.350 0.000 0.000 0.197 337 E C 1.236 177.683 176.600 -0.254 0.000 1.007 337 E CA 1.207 57.316 56.400 -0.486 0.000 0.849 337 E CB -0.331 29.099 29.700 -0.450 0.000 0.774 337 E HN 0.355 nan 8.360 nan 0.000 0.506 338 D N 1.107 121.412 120.400 -0.159 0.000 2.312 338 D HA -0.093 4.548 4.640 0.000 0.000 0.211 338 D C 0.836 177.153 176.300 0.030 0.000 0.964 338 D CA 0.800 54.776 54.000 -0.039 0.000 0.877 338 D CB -0.010 40.797 40.800 0.012 0.000 0.924 338 D HN 0.120 nan 8.370 nan 0.000 0.515 339 D N -0.503 119.930 120.400 0.055 0.000 2.328 339 D HA 0.139 4.779 4.640 0.000 0.000 0.221 339 D C 1.389 177.640 176.300 -0.082 0.000 1.072 339 D CA 0.234 54.291 54.000 0.095 0.000 0.850 339 D CB 0.647 41.628 40.800 0.301 0.000 0.922 339 D HN 0.194 nan 8.370 nan 0.000 0.516 340 G N 1.402 110.115 108.800 -0.144 0.000 2.147 340 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 340 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 340 G C 0.268 174.953 174.900 -0.358 0.000 1.005 340 G CA -0.267 44.720 45.100 -0.189 0.000 0.713 340 G HN 0.361 nan 8.290 nan 0.000 0.515 341 I N 1.561 121.852 120.570 -0.464 0.000 2.342 341 I HA 0.383 4.553 4.170 0.000 0.000 0.291 341 I C 0.042 175.787 176.117 -0.620 0.000 1.010 341 I CA -0.637 60.379 61.300 -0.473 0.000 1.308 341 I CB 0.861 38.572 38.000 -0.482 0.000 1.400 341 I HN 0.084 nan 8.210 nan 0.000 0.488 342 H N 5.479 124.514 119.070 -0.059 0.000 2.974 342 H HA 0.415 4.971 4.556 0.000 0.000 0.285 342 H C 0.308 175.609 175.328 -0.046 0.000 1.227 342 H CA -0.226 55.816 56.048 -0.011 0.000 1.569 342 H CB 1.299 31.044 29.762 -0.030 0.000 1.648 342 H HN 0.894 nan 8.280 nan 0.000 0.521 343 G N 1.087 109.907 108.800 0.032 0.000 2.757 343 G HA2 0.242 4.202 3.960 0.000 0.000 0.638 343 G HA3 0.242 4.202 3.960 0.000 0.000 0.638 343 G C 0.210 175.080 174.900 -0.049 0.000 1.344 343 G CA -0.166 44.902 45.100 -0.053 0.000 0.855 343 G HN 1.338 nan 8.290 nan 0.000 0.537 344 G N -0.843 107.897 108.800 -0.101 0.000 2.660 344 G HA2 0.494 4.454 3.960 0.000 0.000 0.215 344 G HA3 0.494 4.454 3.960 0.000 0.000 0.215 344 G C -0.190 174.717 174.900 0.012 0.000 1.345 344 G CA 0.980 46.050 45.100 -0.051 0.000 0.877 344 G HN 2.588 nan 8.290 nan 0.000 0.549 345 K N -1.782 118.588 120.400 -0.050 0.000 2.556 345 K HA 0.788 5.108 4.320 0.000 0.000 0.274 345 K C -0.754 175.819 176.600 -0.046 0.000 0.966 345 K CA -0.659 55.531 56.287 -0.161 0.000 0.865 345 K CB 1.681 33.769 32.500 -0.685 0.000 1.444 345 K HN 0.747 nan 8.250 nan 0.000 0.433 346 S N 0.366 116.067 115.700 0.003 0.000 2.593 346 S HA 0.542 5.012 4.470 0.000 0.000 0.297 346 S C -0.971 173.532 174.600 -0.163 0.000 1.112 346 S CA -0.576 57.613 58.200 -0.019 0.000 1.043 346 S CB 1.741 65.050 63.200 0.181 0.000 1.054 346 S HN 0.560 nan 8.310 nan 0.000 0.516 347 T N 1.776 116.168 114.554 -0.271 0.000 2.841 347 T HA 0.708 5.058 4.350 0.000 0.000 0.283 347 T C -0.379 174.214 174.700 -0.179 0.000 1.000 347 T CA -0.498 61.392 62.100 -0.349 0.000 0.977 347 T CB 1.760 70.455 68.868 -0.289 0.000 0.979 347 T HN 0.570 nan 8.240 nan 0.000 0.446 348 T N 0.433 114.811 114.554 -0.293 0.000 2.821 348 T HA 0.410 4.760 4.350 0.000 0.000 0.306 348 T C -0.654 173.956 174.700 -0.149 0.000 1.313 348 T CA -0.710 61.343 62.100 -0.079 0.000 1.012 348 T CB 1.449 70.332 68.868 0.025 0.000 1.298 348 T HN 0.588 nan 8.240 nan 0.000 0.502 349 D N 1.500 121.875 120.400 -0.041 0.000 2.349 349 D HA 0.224 4.864 4.640 0.000 0.000 0.214 349 D C 0.807 177.060 176.300 -0.078 0.000 1.063 349 D CA -0.109 53.850 54.000 -0.068 0.000 0.847 349 D CB -0.239 40.540 40.800 -0.034 0.000 0.933 349 D HN 0.383 nan 8.370 nan 0.000 0.513 350 L N 0.205 121.403 121.223 -0.042 0.000 2.472 350 L HA 0.199 4.540 4.340 0.000 0.000 0.260 350 L C -1.092 175.690 176.870 -0.147 0.000 1.209 350 L CA -1.728 53.073 54.840 -0.065 0.000 0.817 350 L CB 0.474 42.532 42.059 -0.002 0.000 1.106 350 L HN -0.243 nan 8.230 nan 0.000 0.479 351 P HA -0.157 nan 4.420 nan 0.000 0.217 351 P C 1.387 178.732 177.300 0.076 0.000 1.148 351 P CA 1.182 64.092 63.100 -0.316 0.000 0.828 351 P CB 0.210 31.577 31.700 -0.556 0.000 0.783 352 S N -1.449 114.319 115.700 0.113 0.000 2.399 352 S HA -0.154 4.317 4.470 0.000 0.000 0.231 352 S C 1.237 175.850 174.600 0.021 0.000 1.022 352 S CA 0.894 59.161 58.200 0.112 0.000 0.983 352 S CB -0.427 62.780 63.200 0.012 0.000 0.803 352 S HN 0.029 nan 8.310 nan 0.000 0.480 353 R N -1.000 119.436 120.500 -0.108 0.000 1.252 353 R HA -0.224 4.116 4.340 0.000 0.000 0.031 353 R C -0.546 175.316 176.300 -0.730 0.000 0.958 353 R CA 2.095 57.984 56.100 -0.352 0.000 1.965 353 R CB -1.459 28.758 30.300 -0.139 0.000 0.201 353 R HN 0.495 nan 8.270 nan 0.000 0.724 354 F N 0.501 120.426 119.950 -0.041 0.000 2.539 354 F HA 0.516 5.043 4.527 0.000 0.000 0.318 354 F C 0.134 175.856 175.800 -0.131 0.000 1.135 354 F CA -0.902 57.033 58.000 -0.108 0.000 0.915 354 F CB 1.594 40.558 39.000 -0.060 0.000 1.176 354 F HN -0.141 nan 8.300 nan 0.000 0.440 355 I N 4.083 124.559 120.570 -0.157 0.000 2.330 355 I HA 0.257 4.427 4.170 0.000 0.000 0.289 355 I C -0.824 174.918 176.117 -0.625 0.000 1.001 355 I CA -1.077 60.027 61.300 -0.327 0.000 1.193 355 I CB 0.815 38.605 38.000 -0.351 0.000 1.345 355 I HN 0.495 nan 8.210 nan 0.000 0.461 356 Y N 5.962 125.981 120.300 -0.467 0.000 2.330 356 Y HA 0.426 4.976 4.550 0.000 0.000 0.336 356 Y C -0.290 175.171 175.900 -0.730 0.000 1.036 356 Y CA -0.326 57.522 58.100 -0.419 0.000 1.125 356 Y CB 1.269 39.658 38.460 -0.118 0.000 1.194 356 Y HN 0.340 nan 8.280 nan 0.000 0.469 357 Y N 4.026 124.169 120.300 -0.261 0.000 2.361 357 Y HA 0.383 4.933 4.550 0.000 0.000 0.332 357 Y C -2.078 173.622 175.900 -0.334 0.000 1.101 357 Y CA -3.062 54.734 58.100 -0.508 0.000 1.137 357 Y CB 0.695 38.801 38.460 -0.590 0.000 1.207 357 Y HN 0.425 nan 8.280 nan 0.000 0.463 358 P HA -0.038 nan 4.420 nan 0.000 0.266 358 P C -0.395 176.783 177.300 -0.203 0.000 1.195 358 P CA 0.171 63.117 63.100 -0.256 0.000 0.768 358 P CB 1.016 32.502 31.700 -0.358 0.000 0.838 359 N N 0.641 119.213 118.700 -0.214 0.000 2.236 359 N HA 0.016 4.756 4.740 0.000 0.000 0.196 359 N C 0.544 176.053 175.510 -0.002 0.000 1.114 359 N CA 0.223 53.229 53.050 -0.073 0.000 0.859 359 N CB 0.148 38.620 38.487 -0.025 0.000 0.982 359 N HN 0.672 nan 8.380 nan 0.000 0.493 360 H N -1.367 117.661 119.070 -0.071 0.000 2.797 360 H HA 0.453 5.009 4.556 0.000 0.000 0.372 360 H C -0.884 174.284 175.328 -0.267 0.000 1.168 360 H CA -0.659 55.305 56.048 -0.140 0.000 1.163 360 H CB 1.064 30.736 29.762 -0.151 0.000 1.778 360 H HN -0.234 nan 8.280 nan 0.000 0.551 361 N N 0.455 119.070 118.700 -0.141 0.000 2.404 361 N HA 0.321 5.061 4.740 0.000 0.000 0.297 361 N C -1.253 174.149 175.510 -0.179 0.000 1.163 361 N CA -0.391 52.558 53.050 -0.169 0.000 0.864 361 N CB 1.871 40.339 38.487 -0.031 0.000 1.247 361 N HN 0.273 nan 8.380 nan 0.000 0.510 362 F N 0.235 120.276 119.950 0.151 0.000 2.469 362 F HA 0.283 4.810 4.527 0.000 0.000 0.332 362 F C 1.880 177.754 175.800 0.124 0.000 1.103 362 F CA -0.734 57.367 58.000 0.168 0.000 0.979 362 F CB 1.203 40.319 39.000 0.194 0.000 1.137 362 F HN 0.406 nan 8.300 nan 0.000 0.463 363 T N 0.550 115.301 114.554 0.329 0.000 2.624 363 T HA -0.334 4.017 4.350 0.000 0.000 0.266 363 T C 1.487 176.288 174.700 0.169 0.000 1.050 363 T CA 2.276 64.496 62.100 0.200 0.000 1.163 363 T CB -0.485 68.484 68.868 0.168 0.000 0.861 363 T HN 0.646 nan 8.240 nan 0.000 0.443 364 N N 1.651 120.466 118.700 0.191 0.000 2.571 364 N HA 0.185 4.925 4.740 0.000 0.000 0.189 364 N C 1.316 176.910 175.510 0.140 0.000 1.154 364 N CA 0.887 54.027 53.050 0.150 0.000 0.907 364 N CB -0.751 37.827 38.487 0.152 0.000 0.977 364 N HN 0.651 nan 8.380 nan 0.000 0.449 365 G N -1.474 107.422 108.800 0.160 0.000 2.179 365 G HA2 -0.274 3.687 3.960 0.000 0.000 0.260 365 G HA3 -0.274 3.687 3.960 0.000 0.000 0.260 365 G C -0.156 174.818 174.900 0.124 0.000 0.977 365 G CA 0.245 45.410 45.100 0.108 0.000 0.641 365 G HN 0.338 nan 8.290 nan 0.000 0.533 366 V N 0.635 120.678 119.914 0.215 0.000 2.715 366 V HA 0.591 4.711 4.120 0.000 0.000 0.299 366 V C 1.103 177.375 176.094 0.297 0.000 1.054 366 V CA 0.832 63.256 62.300 0.207 0.000 1.077 366 V CB 1.537 33.463 31.823 0.171 0.000 0.972 366 V HN 0.957 nan 8.190 nan 0.000 0.484 367 G N 3.046 111.976 108.800 0.217 0.000 2.617 367 G HA2 0.605 4.565 3.960 0.000 0.000 0.306 367 G HA3 0.605 4.565 3.960 0.000 0.000 0.306 367 G C -1.497 173.540 174.900 0.228 0.000 1.360 367 G CA -0.426 44.861 45.100 0.312 0.000 0.983 367 G HN 0.551 nan 8.290 nan 0.000 0.496 368 V N 3.341 123.321 119.914 0.110 0.000 2.384 368 V HA 0.488 4.608 4.120 0.000 0.000 0.287 368 V C 0.327 176.316 176.094 -0.174 0.000 1.020 368 V CA -0.649 61.630 62.300 -0.035 0.000 0.850 368 V CB 0.949 32.807 31.823 0.059 0.000 0.987 368 V HN 0.742 nan 8.190 nan 0.000 0.436 369 I N 3.182 123.564 120.570 -0.313 0.000 2.607 369 I HA 0.747 4.917 4.170 0.000 0.000 0.305 369 I C -0.737 175.151 176.117 -0.382 0.000 0.995 369 I CA -0.746 60.239 61.300 -0.524 0.000 1.148 369 I CB 1.857 39.383 38.000 -0.791 0.000 1.323 369 I HN 0.380 nan 8.210 nan 0.000 0.461 370 I N 3.734 124.057 120.570 -0.413 0.000 2.545 370 I HA 0.628 4.798 4.170 0.000 0.000 0.292 370 I C -0.145 175.795 176.117 -0.294 0.000 1.040 370 I CA -0.798 60.234 61.300 -0.446 0.000 1.068 370 I CB 2.056 39.779 38.000 -0.462 0.000 1.251 370 I HN 0.767 nan 8.210 nan 0.000 0.424 371 A N 5.521 128.151 122.820 -0.317 0.000 2.260 371 A HA 0.650 4.970 4.320 0.000 0.000 0.314 371 A C -1.496 176.058 177.584 -0.051 0.000 1.257 371 A CA -0.291 51.650 52.037 -0.160 0.000 0.871 371 A CB 0.530 19.390 19.000 -0.234 0.000 1.166 371 A HN 0.591 nan 8.150 nan 0.000 0.522 372 Y N 1.904 122.202 120.300 -0.004 0.000 2.346 372 Y HA 0.626 5.176 4.550 0.000 0.000 0.332 372 Y C 0.041 176.039 175.900 0.165 0.000 0.985 372 Y CA -1.126 56.995 58.100 0.035 0.000 1.112 372 Y CB 1.562 40.054 38.460 0.053 0.000 1.170 372 Y HN 0.842 nan 8.280 nan 0.000 0.447 373 G N 5.115 113.967 108.800 0.087 0.000 2.574 373 G HA2 0.667 4.627 3.960 0.000 0.000 0.299 373 G HA3 0.667 4.627 3.960 0.000 0.000 0.299 373 G C -1.781 173.064 174.900 -0.092 0.000 1.298 373 G CA -0.893 44.196 45.100 -0.019 0.000 0.952 373 G HN 0.702 nan 8.290 nan 0.000 0.477 374 I N -1.291 119.214 120.570 -0.110 0.000 3.002 374 I HA 0.948 5.118 4.170 0.000 0.000 0.310 374 I C 0.962 177.101 176.117 0.037 0.000 1.087 374 I CA -0.381 60.891 61.300 -0.047 0.000 1.017 374 I CB 1.313 39.213 38.000 -0.167 0.000 1.226 374 I HN 1.537 nan 8.210 nan 0.000 0.443 375 G N 2.018 110.867 108.800 0.081 0.000 2.596 375 G HA2 -0.310 3.650 3.960 0.000 0.000 0.295 375 G HA3 -0.310 3.650 3.960 0.000 0.000 0.295 375 G C 0.529 175.533 174.900 0.174 0.000 1.240 375 G CA 0.870 46.051 45.100 0.134 0.000 0.985 375 G HN 0.823 nan 8.290 nan 0.000 0.555 376 D N 0.760 121.275 120.400 0.192 0.000 2.218 376 D HA -0.014 4.627 4.640 0.000 0.000 0.204 376 D C 2.048 178.458 176.300 0.182 0.000 0.976 376 D CA 1.377 55.494 54.000 0.194 0.000 0.853 376 D CB -0.285 40.633 40.800 0.198 0.000 0.939 376 D HN 0.414 nan 8.370 nan 0.000 0.481 377 D N 0.108 120.598 120.400 0.150 0.000 2.144 377 D HA -0.082 4.558 4.640 0.000 0.000 0.200 377 D C 1.975 178.451 176.300 0.293 0.000 0.978 377 D CA 1.088 55.180 54.000 0.154 0.000 0.833 377 D CB -0.093 40.777 40.800 0.116 0.000 0.961 377 D HN 0.164 nan 8.370 nan 0.000 0.470 378 A N 1.125 124.111 122.820 0.276 0.000 1.897 378 A HA -0.127 4.193 4.320 0.000 0.000 0.215 378 A C 1.902 179.707 177.584 0.368 0.000 1.181 378 A CA 0.905 53.155 52.037 0.355 0.000 0.620 378 A CB -0.346 18.805 19.000 0.251 0.000 0.821 378 A HN 0.092 nan 8.150 nan 0.000 0.443 379 N N -0.730 118.129 118.700 0.264 0.000 2.364 379 N HA -0.145 4.595 4.740 0.000 0.000 0.183 379 N C 1.248 176.863 175.510 0.175 0.000 1.022 379 N CA 1.077 54.249 53.050 0.204 0.000 0.883 379 N CB -0.599 37.990 38.487 0.169 0.000 0.965 379 N HN 0.557 nan 8.380 nan 0.000 0.438 380 F N 0.783 120.747 119.950 0.023 0.000 2.126 380 F HA -0.150 4.377 4.527 0.000 0.000 0.299 380 F C 1.458 177.125 175.800 -0.221 0.000 1.096 380 F CA 1.389 59.287 58.000 -0.169 0.000 1.255 380 F CB -0.285 38.488 39.000 -0.378 0.000 0.997 380 F HN -0.098 nan 8.300 nan 0.000 0.479 381 F N -0.347 119.667 119.950 0.106 0.000 2.743 381 F HA 0.035 4.562 4.527 0.000 0.000 0.297 381 F C 2.264 178.048 175.800 -0.026 0.000 1.131 381 F CA 0.425 58.429 58.000 0.007 0.000 1.426 381 F CB -0.881 38.168 39.000 0.081 0.000 1.116 381 F HN -0.040 nan 8.300 nan 0.000 0.583 382 Q N 1.327 121.222 119.800 0.158 0.000 2.082 382 Q HA -0.249 4.091 4.340 0.000 0.000 0.211 382 Q C 2.184 178.212 176.000 0.047 0.000 1.002 382 Q CA 2.478 58.340 55.803 0.098 0.000 0.868 382 Q CB -0.370 28.416 28.738 0.079 0.000 0.931 382 Q HN 0.370 nan 8.270 nan 0.000 0.414 383 A N -0.941 121.875 122.820 -0.006 0.000 2.251 383 A HA 0.214 4.534 4.320 0.000 0.000 0.209 383 A C 0.185 177.759 177.584 -0.016 0.000 1.187 383 A CA -0.119 51.907 52.037 -0.019 0.000 0.823 383 A CB -0.051 18.921 19.000 -0.048 0.000 0.846 383 A HN 0.293 nan 8.150 nan 0.000 0.486 384 L N 1.490 122.709 121.223 -0.007 0.000 2.350 384 L HA 0.305 4.645 4.340 0.000 0.000 0.275 384 L C -0.056 176.852 176.870 0.063 0.000 1.099 384 L CA -1.017 53.831 54.840 0.014 0.000 0.808 384 L CB 0.896 42.962 42.059 0.012 0.000 1.149 384 L HN 0.376 nan 8.230 nan 0.000 0.442 385 D N 0.752 121.194 120.400 0.070 0.000 2.371 385 D HA -0.053 4.588 4.640 0.000 0.000 0.242 385 D C 0.934 177.325 176.300 0.152 0.000 1.218 385 D CA -0.297 53.770 54.000 0.113 0.000 0.945 385 D CB 0.556 41.421 40.800 0.108 0.000 1.137 385 D HN 0.405 nan 8.370 nan 0.000 0.464 386 F N 0.378 120.353 119.950 0.042 0.000 2.045 386 F HA -0.263 4.264 4.527 0.000 0.000 0.297 386 F C 2.149 177.988 175.800 0.066 0.000 1.114 386 F CA 2.135 60.162 58.000 0.044 0.000 1.207 386 F CB -0.082 38.942 39.000 0.040 0.000 0.964 386 F HN 0.280 nan 8.300 nan 0.000 0.486 387 K N -0.387 120.189 120.400 0.294 0.000 2.057 387 K HA -0.185 4.135 4.320 0.000 0.000 0.207 387 K C 1.730 178.400 176.600 0.117 0.000 1.049 387 K CA 1.609 58.020 56.287 0.206 0.000 0.931 387 K CB -0.358 32.267 32.500 0.208 0.000 0.714 387 K HN 0.295 nan 8.250 nan 0.000 0.440 388 D N 0.526 120.988 120.400 0.102 0.000 2.178 388 D HA -0.113 4.527 4.640 0.000 0.000 0.202 388 D C 1.943 178.309 176.300 0.110 0.000 0.974 388 D CA 0.825 54.880 54.000 0.092 0.000 0.841 388 D CB -0.350 40.492 40.800 0.069 0.000 0.953 388 D HN 0.196 nan 8.370 nan 0.000 0.478 389 C N 1.009 120.360 119.300 0.085 0.000 2.446 389 C HA -0.004 4.456 4.460 0.000 0.000 0.277 389 C C 2.908 177.899 174.990 0.000 0.000 1.275 389 C CA 0.775 59.872 59.018 0.132 0.000 1.727 389 C CB -0.931 26.794 27.740 -0.026 0.000 2.010 389 C HN 0.363 nan 8.230 nan 0.000 0.486 390 A N 0.350 123.088 122.820 -0.137 0.000 1.933 390 A HA -0.231 4.089 4.320 0.000 0.000 0.218 390 A C 1.805 179.402 177.584 0.020 0.000 1.175 390 A CA 2.268 54.189 52.037 -0.194 0.000 0.628 390 A CB -0.718 18.178 19.000 -0.172 0.000 0.814 390 A HN 0.599 nan 8.150 nan 0.000 0.444 391 D N -0.148 120.353 120.400 0.169 0.000 2.144 391 D HA -0.132 4.508 4.640 0.000 0.000 0.199 391 D C 1.684 178.100 176.300 0.195 0.000 0.984 391 D CA 1.392 55.539 54.000 0.246 0.000 0.834 391 D CB -0.209 40.690 40.800 0.165 0.000 0.955 391 D HN 0.506 nan 8.370 nan 0.000 0.465 392 I N -0.449 120.223 120.570 0.169 0.000 2.179 392 I HA -0.236 3.934 4.170 0.000 0.000 0.242 392 I C 2.346 178.539 176.117 0.127 0.000 1.088 392 I CA 0.573 61.984 61.300 0.184 0.000 1.357 392 I CB -0.183 38.014 38.000 0.328 0.000 1.051 392 I HN -0.010 nan 8.210 nan 0.000 0.409 393 V N 0.427 120.369 119.914 0.047 0.000 2.343 393 V HA -0.273 3.847 4.120 0.000 0.000 0.247 393 V C 2.284 178.341 176.094 -0.061 0.000 1.051 393 V CA 1.839 64.091 62.300 -0.079 0.000 1.036 393 V CB -0.711 30.948 31.823 -0.273 0.000 0.654 393 V HN 0.218 nan 8.190 nan 0.000 0.451 394 F N 0.985 120.934 119.950 -0.002 0.000 2.134 394 F HA -0.116 4.411 4.527 0.000 0.000 0.299 394 F C 2.383 178.160 175.800 -0.038 0.000 1.097 394 F CA 1.417 59.406 58.000 -0.019 0.000 1.264 394 F CB -0.828 38.160 39.000 -0.022 0.000 1.001 394 F HN 0.203 nan 8.300 nan 0.000 0.479 395 N N 0.368 119.168 118.700 0.168 0.000 2.120 395 N HA -0.154 4.586 4.740 0.000 0.000 0.188 395 N C 1.461 176.965 175.510 -0.009 0.000 1.024 395 N CA 1.568 54.654 53.050 0.059 0.000 0.852 395 N CB -0.594 37.925 38.487 0.053 0.000 1.003 395 N HN 0.228 nan 8.380 nan 0.000 0.424 396 D N 0.807 121.203 120.400 -0.006 0.000 2.097 396 D HA -0.056 4.584 4.640 0.000 0.000 0.195 396 D C 2.190 178.431 176.300 -0.097 0.000 0.989 396 D CA 0.479 54.435 54.000 -0.074 0.000 0.827 396 D CB -0.402 40.377 40.800 -0.035 0.000 0.966 396 D HN 0.215 nan 8.370 nan 0.000 0.456 397 L N 0.463 121.691 121.223 0.008 0.000 2.083 397 L HA -0.159 4.181 4.340 0.000 0.000 0.209 397 L C 2.523 179.420 176.870 0.045 0.000 1.083 397 L CA 0.910 55.822 54.840 0.119 0.000 0.752 397 L CB -0.436 41.743 42.059 0.199 0.000 0.899 397 L HN 0.014 nan 8.230 nan 0.000 0.433 398 S N 0.099 115.781 115.700 -0.030 0.000 2.370 398 S HA -0.158 4.312 4.470 0.000 0.000 0.226 398 S C 1.949 176.441 174.600 -0.181 0.000 1.033 398 S CA 1.294 59.440 58.200 -0.091 0.000 1.011 398 S CB -0.112 63.041 63.200 -0.079 0.000 0.852 398 S HN 0.315 nan 8.310 nan 0.000 0.457 399 L N 0.466 121.510 121.223 -0.299 0.000 2.095 399 L HA 0.078 4.418 4.340 0.000 0.000 0.204 399 L C 2.362 178.782 176.870 -0.749 0.000 1.080 399 L CA 0.912 55.418 54.840 -0.556 0.000 0.759 399 L CB -0.435 41.131 42.059 -0.822 0.000 0.914 399 L HN 0.323 nan 8.230 nan 0.000 0.439 400 I N -0.787 119.389 120.570 -0.656 0.000 2.226 400 I HA -0.297 3.873 4.170 0.000 0.000 0.245 400 I C 2.028 177.662 176.117 -0.805 0.000 1.100 400 I CA 1.257 62.186 61.300 -0.618 0.000 1.374 400 I CB -0.303 37.498 38.000 -0.331 0.000 1.057 400 I HN 0.349 nan 8.210 nan 0.000 0.413 401 H N 0.285 119.157 119.070 -0.331 0.000 2.586 401 H HA 0.167 4.723 4.556 0.000 0.000 0.273 401 H C 0.213 175.399 175.328 -0.236 0.000 0.997 401 H CA -0.010 55.894 56.048 -0.240 0.000 1.177 401 H CB 0.366 30.219 29.762 0.151 0.000 1.471 401 H HN 0.343 nan 8.280 nan 0.000 0.538 402 Q N 0.954 120.622 119.800 -0.219 0.000 2.443 402 Q HA -0.175 4.166 4.340 0.000 0.000 0.337 402 Q C -1.140 174.818 176.000 -0.071 0.000 1.401 402 Q CA 0.212 55.919 55.803 -0.160 0.000 0.943 402 Q CB -1.106 27.525 28.738 -0.179 0.000 1.177 402 Q HN 0.421 nan 8.270 nan 0.000 0.394 403 L N 0.279 121.460 121.223 -0.069 0.000 2.388 403 L HA 0.618 4.959 4.340 0.000 0.000 0.264 403 L C -2.214 174.592 176.870 -0.107 0.000 0.998 403 L CA -2.453 52.347 54.840 -0.066 0.000 0.817 403 L CB 1.895 43.904 42.059 -0.083 0.000 1.338 403 L HN -0.001 nan 8.230 nan 0.000 0.414 404 P HA 0.003 nan 4.420 nan 0.000 0.265 404 P C 0.161 177.355 177.300 -0.176 0.000 1.193 404 P CA -0.023 63.000 63.100 -0.128 0.000 0.765 404 P CB 0.715 32.341 31.700 -0.124 0.000 0.823 405 K N 3.986 124.293 120.400 -0.154 0.000 2.074 405 K HA -0.263 4.057 4.320 0.000 0.000 0.209 405 K C 2.095 178.530 176.600 -0.275 0.000 1.048 405 K CA 2.295 58.478 56.287 -0.174 0.000 0.926 405 K CB -0.404 32.019 32.500 -0.129 0.000 0.713 405 K HN 0.274 nan 8.250 nan 0.000 0.444 406 K N 1.188 121.436 120.400 -0.254 0.000 2.152 406 K HA -0.191 4.129 4.320 0.000 0.000 0.206 406 K C 1.630 178.003 176.600 -0.379 0.000 1.048 406 K CA 2.145 58.259 56.287 -0.288 0.000 0.933 406 K CB -0.859 31.517 32.500 -0.208 0.000 0.721 406 K HN 0.374 nan 8.250 nan 0.000 0.447 407 D N 0.356 120.498 120.400 -0.430 0.000 2.097 407 D HA -0.036 4.605 4.640 0.000 0.000 0.197 407 D C 1.864 177.528 176.300 -1.059 0.000 0.984 407 D CA 1.186 54.736 54.000 -0.749 0.000 0.826 407 D CB -0.153 40.281 40.800 -0.610 0.000 0.973 407 D HN 0.518 nan 8.370 nan 0.000 0.460 408 I N 0.637 120.840 120.570 -0.612 0.000 2.286 408 I HA -0.251 3.919 4.170 0.000 0.000 0.248 408 I C 2.078 178.109 176.117 -0.143 0.000 1.115 408 I CA 1.031 62.144 61.300 -0.311 0.000 1.392 408 I CB -0.311 37.604 38.000 -0.141 0.000 1.065 408 I HN -0.013 nan 8.210 nan 0.000 0.418 409 Q N -0.331 119.211 119.800 -0.430 0.000 2.436 409 Q HA -0.125 4.215 4.340 0.000 0.000 0.209 409 Q C 2.238 178.113 176.000 -0.209 0.000 0.965 409 Q CA 1.128 56.605 55.803 -0.543 0.000 0.910 409 Q CB 0.056 28.349 28.738 -0.742 0.000 0.980 409 Q HN 0.380 nan 8.270 nan 0.000 0.491 410 S N -0.837 114.712 115.700 -0.251 0.000 2.468 410 S HA 0.016 4.486 4.470 0.000 0.000 0.226 410 S C 1.309 175.961 174.600 0.087 0.000 1.051 410 S CA 0.047 58.167 58.200 -0.134 0.000 0.943 410 S CB 0.105 63.150 63.200 -0.259 0.000 0.810 410 S HN 0.267 nan 8.310 nan 0.000 0.509 411 F N 2.157 122.164 119.950 0.095 0.000 2.234 411 F HA 0.243 4.770 4.527 0.000 0.000 0.299 411 F C 1.358 177.299 175.800 0.234 0.000 1.087 411 F CA -0.770 57.326 58.000 0.160 0.000 1.340 411 F CB -1.013 38.116 39.000 0.214 0.000 1.031 411 F HN 0.244 nan 8.300 nan 0.000 0.500 412 c N -1.875 117.004 118.600 0.466 0.000 3.044 412 c HA 0.724 5.294 4.570 0.000 0.000 0.315 412 c C -0.791 173.597 174.090 0.497 0.000 1.320 412 c CA -1.227 55.360 56.329 0.430 0.000 1.582 412 c CB 1.363 44.133 42.510 0.432 0.000 2.039 412 c HN 0.370 nan 8.230 nan 0.000 0.466 413 Y N -1.712 118.757 120.300 0.283 0.000 2.544 413 Y HA 0.697 5.247 4.550 0.000 0.000 0.342 413 Y C -3.334 172.688 175.900 0.202 0.000 1.062 413 Y CA -2.950 55.334 58.100 0.307 0.000 1.023 413 Y CB 0.533 39.124 38.460 0.218 0.000 1.308 413 Y HN 0.407 nan 8.280 nan 0.000 0.457 414 P HA 0.153 nan 4.420 nan 0.000 0.275 414 P C 0.273 177.698 177.300 0.208 0.000 1.276 414 P CA 0.217 63.328 63.100 0.018 0.000 0.782 414 P CB 1.263 32.975 31.700 0.020 0.000 0.851 415 S N 2.361 117.999 115.700 -0.104 0.000 2.441 415 S HA 0.171 4.641 4.470 0.000 0.000 0.224 415 S C 0.582 175.293 174.600 0.185 0.000 1.043 415 S CA 0.323 58.557 58.200 0.056 0.000 0.948 415 S CB -0.062 63.006 63.200 -0.221 0.000 0.810 415 S HN 0.214 nan 8.310 nan 0.000 0.504 416 V N 1.177 121.164 119.914 0.122 0.000 3.012 416 V HA 0.549 4.670 4.120 0.000 0.000 0.307 416 V C -1.312 174.902 176.094 0.199 0.000 1.166 416 V CA -0.836 61.487 62.300 0.040 0.000 0.974 416 V CB 1.965 33.508 31.823 -0.467 0.000 1.040 416 V HN 0.385 nan 8.190 nan 0.000 0.428 417 I N 2.835 123.522 120.570 0.195 0.000 2.500 417 I HA 0.463 4.634 4.170 0.000 0.000 0.286 417 I C -1.069 175.062 176.117 0.023 0.000 1.063 417 I CA -0.516 60.826 61.300 0.069 0.000 1.062 417 I CB 2.157 40.110 38.000 -0.079 0.000 1.223 417 I HN 0.639 nan 8.210 nan 0.000 0.435 418 Q N 6.651 126.450 119.800 -0.003 0.000 2.394 418 Q HA 0.356 4.696 4.340 0.000 0.000 0.259 418 Q C -1.303 174.551 176.000 -0.242 0.000 1.021 418 Q CA -0.398 55.278 55.803 -0.212 0.000 0.805 418 Q CB 1.149 29.723 28.738 -0.272 0.000 1.226 418 Q HN 0.388 nan 8.270 nan 0.000 0.476 419 K N 3.789 124.057 120.400 -0.220 0.000 2.300 419 K HA 0.145 4.465 4.320 0.000 0.000 0.264 419 K C -0.164 176.379 176.600 -0.094 0.000 1.083 419 K CA -0.231 56.011 56.287 -0.075 0.000 0.958 419 K CB 0.504 33.002 32.500 -0.003 0.000 1.318 419 K HN 0.713 nan 8.250 nan 0.000 0.448 420 W N 0.982 122.328 121.300 0.077 0.000 2.392 420 W HA -0.172 4.488 4.660 0.000 0.000 0.279 420 W C 1.861 178.406 176.519 0.043 0.000 1.225 420 W CA 0.750 58.133 57.345 0.063 0.000 1.233 420 W CB 0.121 29.626 29.460 0.074 0.000 1.122 420 W HN 0.469 nan 8.180 nan 0.000 0.561 421 S N 0.228 116.071 115.700 0.238 0.000 2.474 421 S HA -0.063 4.407 4.470 0.000 0.000 0.235 421 S C 1.449 176.097 174.600 0.080 0.000 0.997 421 S CA 0.725 59.010 58.200 0.142 0.000 0.949 421 S CB -0.263 63.011 63.200 0.123 0.000 0.766 421 S HN 0.219 nan 8.310 nan 0.000 0.517 422 L N 0.925 122.182 121.223 0.057 0.000 2.667 422 L HA 0.260 4.601 4.340 0.000 0.000 0.232 422 L C 0.168 177.027 176.870 -0.018 0.000 1.138 422 L CA -0.159 54.686 54.840 0.008 0.000 0.921 422 L CB -0.207 41.849 42.059 -0.005 0.000 1.180 422 L HN 0.113 nan 8.230 nan 0.000 0.487 423 D N 1.310 121.726 120.400 0.027 0.000 2.371 423 D HA -0.026 4.614 4.640 0.000 0.000 0.256 423 D C 1.502 177.789 176.300 -0.021 0.000 1.193 423 D CA -0.057 53.959 54.000 0.026 0.000 0.881 423 D CB 1.006 41.942 40.800 0.227 0.000 1.143 423 D HN 0.180 nan 8.370 nan 0.000 0.473 424 K N 2.439 122.747 120.400 -0.154 0.000 2.281 424 K HA -0.228 4.092 4.320 0.000 0.000 0.203 424 K C 0.494 176.888 176.600 -0.345 0.000 1.046 424 K CA 1.355 57.462 56.287 -0.299 0.000 0.938 424 K CB -0.119 32.096 32.500 -0.474 0.000 0.737 424 K HN 0.474 nan 8.250 nan 0.000 0.458 425 Y N 0.210 120.544 120.300 0.056 0.000 2.464 425 Y HA 0.345 4.896 4.550 0.000 0.000 0.288 425 Y C 2.633 178.559 175.900 0.044 0.000 1.133 425 Y CA 0.136 58.268 58.100 0.054 0.000 1.223 425 Y CB -0.284 38.219 38.460 0.072 0.000 1.187 425 Y HN 0.129 nan 8.280 nan 0.000 0.539 426 A N 0.003 122.952 122.820 0.214 0.000 1.929 426 A HA -0.086 4.234 4.320 0.000 0.000 0.216 426 A C 1.515 179.076 177.584 -0.038 0.000 1.176 426 A CA 1.633 53.738 52.037 0.114 0.000 0.628 426 A CB -0.640 18.476 19.000 0.193 0.000 0.816 426 A HN 0.480 nan 8.150 nan 0.000 0.444 427 M N -2.926 116.663 119.600 -0.017 0.000 2.856 427 M HA -0.203 4.277 4.480 0.000 0.000 0.189 427 M C 0.404 176.599 176.300 -0.174 0.000 0.612 427 M CA 0.738 55.983 55.300 -0.091 0.000 0.673 427 M CB -2.092 30.436 32.600 -0.120 0.000 2.440 427 M HN 0.929 nan 8.290 nan 0.000 0.437 428 G N -1.827 106.896 108.800 -0.128 0.000 2.368 428 G HA2 0.524 4.484 3.960 0.000 0.000 0.293 428 G HA3 0.524 4.484 3.960 0.000 0.000 0.293 428 G C -0.017 174.937 174.900 0.090 0.000 1.467 428 G CA -0.318 44.708 45.100 -0.124 0.000 0.804 428 G HN 0.286 nan 8.290 nan 0.000 0.535 429 G N -0.873 108.051 108.800 0.205 0.000 2.648 429 G HA2 0.440 4.400 3.960 0.000 0.000 0.217 429 G HA3 0.440 4.400 3.960 0.000 0.000 0.217 429 G C 0.340 175.324 174.900 0.140 0.000 1.386 429 G CA 0.299 45.519 45.100 0.200 0.000 0.920 429 G HN 0.703 nan 8.290 nan 0.000 0.540 430 I N 0.765 121.409 120.570 0.125 0.000 2.509 430 I HA 0.245 4.415 4.170 0.000 0.000 0.293 430 I C -0.438 175.568 176.117 -0.186 0.000 1.020 430 I CA -0.636 60.657 61.300 -0.012 0.000 1.088 430 I CB 2.427 40.374 38.000 -0.089 0.000 1.267 430 I HN 0.012 nan 8.210 nan 0.000 0.430 431 T N 3.984 118.256 114.554 -0.471 0.000 2.831 431 T HA 0.097 4.447 4.350 0.000 0.000 0.291 431 T C 0.003 174.363 174.700 -0.567 0.000 0.981 431 T CA 0.402 61.933 62.100 -0.948 0.000 1.174 431 T CB -0.140 68.158 68.868 -0.949 0.000 0.929 431 T HN 0.567 nan 8.240 nan 0.000 0.532 432 T N 4.966 119.308 114.554 -0.353 0.000 3.078 432 T HA 0.320 4.670 4.350 0.000 0.000 0.328 432 T C -0.394 174.457 174.700 0.251 0.000 0.987 432 T CA -0.657 61.429 62.100 -0.024 0.000 1.049 432 T CB 0.082 68.993 68.868 0.072 0.000 1.011 432 T HN 0.285 nan 8.240 nan 0.000 0.463 433 F N 3.718 123.637 119.950 -0.052 0.000 2.538 433 F HA 0.276 4.803 4.527 0.000 0.000 0.371 433 F C 1.752 177.626 175.800 0.123 0.000 1.087 433 F CA -0.912 57.063 58.000 -0.042 0.000 1.250 433 F CB 0.100 38.861 39.000 -0.398 0.000 1.110 433 F HN 0.457 nan 8.300 nan 0.000 0.570 434 T N 1.609 116.337 114.554 0.290 0.000 2.881 434 T HA 0.435 4.785 4.350 0.000 0.000 0.278 434 T C -2.715 172.137 174.700 0.253 0.000 0.982 434 T CA -2.428 59.816 62.100 0.239 0.000 0.989 434 T CB 1.150 70.105 68.868 0.145 0.000 1.058 434 T HN 0.147 nan 8.240 nan 0.000 0.529 435 P HA 0.026 nan 4.420 nan 0.000 0.263 435 P C -0.327 177.142 177.300 0.282 0.000 1.175 435 P CA 0.590 63.827 63.100 0.227 0.000 0.761 435 P CB -0.245 31.589 31.700 0.224 0.000 0.794 436 Y N -0.386 119.975 120.300 0.102 0.000 4.779 436 Y HA -0.325 4.225 4.550 0.000 0.000 0.284 436 Y C 1.888 177.742 175.900 -0.077 0.000 0.973 436 Y CA 1.399 59.498 58.100 -0.002 0.000 1.792 436 Y CB -2.165 36.222 38.460 -0.123 0.000 1.120 436 Y HN 0.456 nan 8.280 nan 0.000 0.450 437 Q N -0.653 119.172 119.800 0.042 0.000 2.167 437 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 437 Q C 1.594 177.458 176.000 -0.226 0.000 0.970 437 Q CA 1.670 57.325 55.803 -0.246 0.000 0.855 437 Q CB -0.283 28.186 28.738 -0.448 0.000 0.911 437 Q HN 0.569 nan 8.270 nan 0.000 0.438 438 F N 1.851 121.924 119.950 0.204 0.000 2.102 438 F HA -0.221 4.307 4.527 0.000 0.000 0.298 438 F C 2.668 178.585 175.800 0.195 0.000 1.105 438 F CA 1.800 60.036 58.000 0.394 0.000 1.239 438 F CB -0.337 38.891 39.000 0.379 0.000 0.991 438 F HN 0.160 nan 8.300 nan 0.000 0.474 439 Q N -1.422 118.562 119.800 0.306 0.000 2.245 439 Q HA -0.192 4.148 4.340 0.000 0.000 0.201 439 Q C 1.635 177.710 176.000 0.126 0.000 0.955 439 Q CA 1.761 57.678 55.803 0.190 0.000 0.870 439 Q CB -0.671 28.153 28.738 0.144 0.000 0.945 439 Q HN 0.466 nan 8.270 nan 0.000 0.461 440 H N -0.704 118.289 119.070 -0.128 0.000 2.486 440 H HA 0.120 4.676 4.556 0.000 0.000 0.287 440 H C 0.512 175.644 175.328 -0.327 0.000 1.010 440 H CA 0.835 56.675 56.048 -0.347 0.000 1.324 440 H CB 0.347 29.694 29.762 -0.692 0.000 1.446 440 H HN 0.220 nan 8.280 nan 0.000 0.537 441 F N -1.131 118.740 119.950 -0.132 0.000 2.727 441 F HA 0.252 4.779 4.527 0.000 0.000 0.302 441 F C 2.386 178.145 175.800 -0.068 0.000 1.107 441 F CA 0.199 58.064 58.000 -0.225 0.000 1.277 441 F CB -0.264 38.520 39.000 -0.361 0.000 1.079 441 F HN 0.000 nan 8.300 nan 0.000 0.594 442 S N 0.528 116.369 115.700 0.235 0.000 2.359 442 S HA -0.217 4.253 4.470 0.000 0.000 0.222 442 S C 1.644 176.355 174.600 0.185 0.000 1.038 442 S CA 2.029 60.405 58.200 0.294 0.000 1.051 442 S CB -0.304 63.108 63.200 0.354 0.000 0.944 442 S HN 0.323 nan 8.310 nan 0.000 0.433 443 D N 0.876 121.354 120.400 0.130 0.000 2.117 443 D HA -0.021 4.619 4.640 0.000 0.000 0.197 443 D C -0.655 175.675 176.300 0.049 0.000 0.987 443 D CA 1.096 55.147 54.000 0.085 0.000 0.829 443 D CB -1.763 39.075 40.800 0.065 0.000 0.961 443 D HN 0.320 nan 8.370 nan 0.000 0.460 444 P HA -0.055 nan 4.420 nan 0.000 0.218 444 P C 1.680 178.949 177.300 -0.052 0.000 1.149 444 P CA 0.749 63.838 63.100 -0.018 0.000 0.817 444 P CB 0.035 31.725 31.700 -0.017 0.000 0.785 445 L N -1.233 119.998 121.223 0.014 0.000 2.095 445 L HA -0.086 4.254 4.340 0.000 0.000 0.204 445 L C 2.378 179.250 176.870 0.004 0.000 1.080 445 L CA 2.000 56.864 54.840 0.039 0.000 0.759 445 L CB -1.470 40.711 42.059 0.203 0.000 0.914 445 L HN 0.110 nan 8.230 nan 0.000 0.439 446 T N -2.357 112.222 114.554 0.042 0.000 3.043 446 T HA 0.193 4.543 4.350 0.000 0.000 0.263 446 T C 0.998 175.744 174.700 0.076 0.000 1.094 446 T CA 0.263 62.398 62.100 0.057 0.000 1.127 446 T CB -0.255 68.660 68.868 0.077 0.000 0.905 446 T HN 0.191 nan 8.240 nan 0.000 0.490 447 A N 2.402 125.241 122.820 0.033 0.000 2.531 447 A HA 0.505 4.825 4.320 0.000 0.000 0.236 447 A C 0.866 178.483 177.584 0.055 0.000 1.062 447 A CA -0.163 51.889 52.037 0.025 0.000 0.760 447 A CB -0.051 18.942 19.000 -0.012 0.000 0.995 447 A HN 0.730 nan 8.150 nan 0.000 0.501 448 S N 1.344 117.042 115.700 -0.004 0.000 2.693 448 S HA 0.589 5.059 4.470 0.000 0.000 0.276 448 S C -0.316 174.239 174.600 -0.075 0.000 1.192 448 S CA -0.552 57.578 58.200 -0.118 0.000 0.994 448 S CB 1.291 64.081 63.200 -0.684 0.000 1.012 448 S HN 0.815 nan 8.310 nan 0.000 0.550 449 Q N 0.374 120.142 119.800 -0.052 0.000 2.414 449 Q HA 0.493 4.833 4.340 0.000 0.000 0.256 449 Q C 0.513 176.499 176.000 -0.023 0.000 0.974 449 Q CA 0.173 55.972 55.803 -0.007 0.000 0.723 449 Q CB 0.390 29.162 28.738 0.057 0.000 1.281 449 Q HN 1.341 nan 8.270 nan 0.000 0.470 450 G N 3.272 112.052 108.800 -0.033 0.000 2.565 450 G HA2 -0.379 3.581 3.960 0.000 0.000 0.295 450 G HA3 -0.379 3.581 3.960 0.000 0.000 0.295 450 G C 0.274 175.191 174.900 0.028 0.000 1.165 450 G CA 0.312 45.418 45.100 0.010 0.000 0.977 450 G HN 0.659 nan 8.290 nan 0.000 0.546 451 R N 0.152 120.706 120.500 0.090 0.000 2.388 451 R HA 0.405 4.745 4.340 0.000 0.000 0.247 451 R C 0.408 176.882 176.300 0.290 0.000 0.931 451 R CA 0.004 56.255 56.100 0.252 0.000 1.082 451 R CB 0.096 30.422 30.300 0.043 0.000 1.135 451 R HN 0.421 nan 8.270 nan 0.000 0.525 452 I N 1.189 121.808 120.570 0.080 0.000 2.330 452 I HA 0.248 4.418 4.170 0.000 0.000 0.289 452 I C -0.661 175.359 176.117 -0.163 0.000 1.001 452 I CA -0.798 60.516 61.300 0.024 0.000 1.193 452 I CB 0.767 38.786 38.000 0.033 0.000 1.345 452 I HN -0.088 nan 8.210 nan 0.000 0.461 453 Y N 5.509 125.707 120.300 -0.170 0.000 2.567 453 Y HA 0.630 5.181 4.550 0.000 0.000 0.333 453 Y C -0.463 175.220 175.900 -0.361 0.000 1.106 453 Y CA -0.842 57.202 58.100 -0.094 0.000 1.157 453 Y CB 1.513 39.953 38.460 -0.032 0.000 1.277 453 Y HN 0.265 nan 8.280 nan 0.000 0.490 454 F N 0.351 120.406 119.950 0.175 0.000 2.565 454 F HA 0.810 5.337 4.527 0.000 0.000 0.313 454 F C -0.071 175.747 175.800 0.029 0.000 1.091 454 F CA -0.860 57.206 58.000 0.110 0.000 0.915 454 F CB 1.912 40.972 39.000 0.099 0.000 1.208 454 F HN 0.534 nan 8.300 nan 0.000 0.453 455 A N 1.135 124.045 122.820 0.150 0.000 2.564 455 A HA 1.001 5.321 4.320 0.000 0.000 0.288 455 A C -0.396 177.155 177.584 -0.055 0.000 1.164 455 A CA -0.388 51.652 52.037 0.006 0.000 0.712 455 A CB 1.683 20.688 19.000 0.008 0.000 1.303 455 A HN 1.759 nan 8.150 nan 0.000 0.418 456 G N -0.914 107.826 108.800 -0.099 0.000 2.362 456 G HA2 0.264 4.224 3.960 0.000 0.000 0.656 456 G HA3 0.264 4.224 3.960 0.000 0.000 0.656 456 G C 0.291 175.133 174.900 -0.096 0.000 1.376 456 G CA 0.383 45.455 45.100 -0.046 0.000 0.971 456 G HN 1.156 nan 8.290 nan 0.000 0.636 457 E N -0.629 119.596 120.200 0.040 0.000 2.086 457 E HA -0.307 4.043 4.350 0.000 0.000 0.200 457 E C 2.103 178.757 176.600 0.090 0.000 1.012 457 E CA 2.660 59.103 56.400 0.071 0.000 0.812 457 E CB -0.307 29.446 29.700 0.089 0.000 0.743 457 E HN 0.875 nan 8.360 nan 0.000 0.453 458 Y N 0.260 120.593 120.300 0.054 0.000 2.483 458 Y HA -0.066 4.484 4.550 0.000 0.000 0.291 458 Y C 2.152 178.145 175.900 0.155 0.000 1.143 458 Y CA 1.400 59.508 58.100 0.014 0.000 1.289 458 Y CB -0.884 37.611 38.460 0.059 0.000 0.983 458 Y HN 0.061 nan 8.280 nan 0.000 0.556 459 T N -2.135 112.159 114.554 -0.434 0.000 3.040 459 T HA 0.531 4.882 4.350 0.000 0.000 0.250 459 T C 0.915 175.587 174.700 -0.047 0.000 1.058 459 T CA 0.027 61.977 62.100 -0.250 0.000 0.988 459 T CB -0.528 68.118 68.868 -0.370 0.000 0.993 459 T HN 0.479 nan 8.240 nan 0.000 0.519 460 A N 1.312 124.121 122.820 -0.018 0.000 2.366 460 A HA 0.392 4.712 4.320 0.000 0.000 0.249 460 A C 1.343 178.918 177.584 -0.015 0.000 1.084 460 A CA -0.455 51.575 52.037 -0.011 0.000 0.794 460 A CB 0.311 19.310 19.000 -0.001 0.000 1.034 460 A HN 0.452 nan 8.150 nan 0.000 0.491 461 Q N -0.387 119.396 119.800 -0.030 0.000 2.297 461 Q HA 0.083 4.423 4.340 0.000 0.000 0.204 461 Q C 0.501 176.428 176.000 -0.121 0.000 0.962 461 Q CA 1.162 56.951 55.803 -0.024 0.000 0.879 461 Q CB -0.008 28.732 28.738 0.003 0.000 0.947 461 Q HN 0.780 nan 8.270 nan 0.000 0.462 462 A N 0.498 123.228 122.820 -0.150 0.000 2.393 462 A HA 0.531 4.851 4.320 0.000 0.000 0.306 462 A C -1.287 176.223 177.584 -0.124 0.000 1.050 462 A CA -0.816 51.130 52.037 -0.152 0.000 0.724 462 A CB 0.861 19.874 19.000 0.021 0.000 1.248 462 A HN 0.129 nan 8.150 nan 0.000 0.424 463 H N 0.243 119.355 119.070 0.071 0.000 2.479 463 H HA 0.560 5.117 4.556 0.000 0.000 0.335 463 H C 1.116 176.394 175.328 -0.084 0.000 1.142 463 H CA 0.218 56.238 56.048 -0.047 0.000 1.234 463 H CB 1.582 31.234 29.762 -0.183 0.000 1.503 463 H HN 1.563 nan 8.280 nan 0.000 0.510 464 G N 1.318 110.074 108.800 -0.074 0.000 2.136 464 G HA2 -0.224 3.737 3.960 0.000 0.000 0.242 464 G HA3 -0.224 3.737 3.960 0.000 0.000 0.242 464 G C -0.736 173.716 174.900 -0.747 0.000 0.989 464 G CA -0.214 44.641 45.100 -0.408 0.000 0.682 464 G HN 0.577 nan 8.290 nan 0.000 0.522 465 W N -1.190 120.134 121.300 0.041 0.000 2.957 465 W HA 0.655 5.315 4.660 0.000 0.000 0.336 465 W C 1.197 177.706 176.519 -0.017 0.000 1.087 465 W CA -1.209 56.161 57.345 0.041 0.000 1.235 465 W CB 0.746 30.248 29.460 0.070 0.000 1.399 465 W HN -0.061 nan 8.180 nan 0.000 0.480 466 I N 0.955 121.667 120.570 0.236 0.000 2.208 466 I HA -0.315 3.855 4.170 0.000 0.000 0.245 466 I C 2.020 178.185 176.117 0.080 0.000 1.097 466 I CA 1.874 63.244 61.300 0.117 0.000 1.363 466 I CB -0.219 37.849 38.000 0.113 0.000 1.051 466 I HN 0.582 nan 8.210 nan 0.000 0.413 467 D N 0.241 120.680 120.400 0.066 0.000 2.106 467 D HA -0.240 4.400 4.640 0.000 0.000 0.191 467 D C 2.304 178.567 176.300 -0.061 0.000 0.997 467 D CA 1.834 55.798 54.000 -0.060 0.000 0.834 467 D CB 0.024 40.585 40.800 -0.398 0.000 0.956 467 D HN 0.097 nan 8.370 nan 0.000 0.448 468 S N -1.738 113.913 115.700 -0.081 0.000 2.402 468 S HA -0.113 4.357 4.470 0.000 0.000 0.229 468 S C 1.926 176.508 174.600 -0.029 0.000 1.021 468 S CA 1.643 59.816 58.200 -0.045 0.000 0.974 468 S CB -0.461 62.731 63.200 -0.013 0.000 0.800 468 S HN 0.332 nan 8.310 nan 0.000 0.484 469 T N 2.322 116.877 114.554 0.001 0.000 2.737 469 T HA 0.048 4.398 4.350 0.000 0.000 0.265 469 T C 1.690 176.364 174.700 -0.042 0.000 1.038 469 T CA 1.348 63.441 62.100 -0.012 0.000 1.144 469 T CB -0.316 68.557 68.868 0.008 0.000 0.866 469 T HN 0.368 nan 8.240 nan 0.000 0.434 470 I N 0.775 121.323 120.570 -0.036 0.000 2.163 470 I HA -0.203 3.967 4.170 0.000 0.000 0.243 470 I C 2.711 178.777 176.117 -0.085 0.000 1.085 470 I CA 1.339 62.607 61.300 -0.053 0.000 1.347 470 I CB -0.317 37.670 38.000 -0.022 0.000 1.044 470 I HN 0.177 nan 8.210 nan 0.000 0.408 471 K N 0.784 121.114 120.400 -0.116 0.000 2.103 471 K HA -0.215 4.105 4.320 0.000 0.000 0.207 471 K C 2.338 178.716 176.600 -0.371 0.000 1.048 471 K CA 1.933 58.048 56.287 -0.287 0.000 0.930 471 K CB -0.074 32.268 32.500 -0.263 0.000 0.716 471 K HN 0.422 nan 8.250 nan 0.000 0.444 472 S N -0.582 114.992 115.700 -0.211 0.000 2.382 472 S HA -0.099 4.372 4.470 0.000 0.000 0.228 472 S C 2.117 176.642 174.600 -0.125 0.000 1.027 472 S CA 1.240 59.341 58.200 -0.165 0.000 0.991 472 S CB -0.566 62.569 63.200 -0.107 0.000 0.823 472 S HN 0.408 nan 8.310 nan 0.000 0.469 473 G N 1.749 110.490 108.800 -0.100 0.000 2.394 473 G HA2 0.059 4.019 3.960 0.000 0.000 0.215 473 G HA3 0.059 4.019 3.960 0.000 0.000 0.215 473 G C 1.479 176.354 174.900 -0.042 0.000 1.165 473 G CA 0.721 45.787 45.100 -0.057 0.000 0.784 473 G HN 0.510 nan 8.290 nan 0.000 0.535 474 L N -0.155 121.032 121.223 -0.059 0.000 2.093 474 L HA -0.005 4.335 4.340 0.000 0.000 0.208 474 L C 2.974 179.913 176.870 0.114 0.000 1.085 474 L CA 0.690 55.560 54.840 0.051 0.000 0.755 474 L CB -0.402 41.727 42.059 0.116 0.000 0.904 474 L HN 0.112 nan 8.230 nan 0.000 0.435 475 R N 0.874 121.315 120.500 -0.100 0.000 2.073 475 R HA -0.147 4.193 4.340 0.000 0.000 0.234 475 R C 2.213 178.573 176.300 0.100 0.000 1.134 475 R CA 1.787 57.922 56.100 0.058 0.000 0.952 475 R CB -0.347 29.853 30.300 -0.166 0.000 0.850 475 R HN 0.339 nan 8.270 nan 0.000 0.433 476 A N 0.497 123.333 122.820 0.027 0.000 1.930 476 A HA -0.028 4.292 4.320 0.000 0.000 0.217 476 A C 2.357 179.863 177.584 -0.131 0.000 1.175 476 A CA 1.653 53.695 52.037 0.008 0.000 0.627 476 A CB -0.585 18.434 19.000 0.032 0.000 0.815 476 A HN 0.466 nan 8.150 nan 0.000 0.443 477 A N -0.253 122.518 122.820 -0.083 0.000 1.902 477 A HA -0.151 4.169 4.320 0.000 0.000 0.217 477 A C 2.249 179.757 177.584 -0.127 0.000 1.181 477 A CA 1.683 53.644 52.037 -0.126 0.000 0.623 477 A CB -0.478 18.500 19.000 -0.036 0.000 0.818 477 A HN 0.547 nan 8.150 nan 0.000 0.443 478 R N -0.409 120.086 120.500 -0.008 0.000 2.081 478 R HA -0.154 4.186 4.340 0.000 0.000 0.235 478 R C 1.299 177.558 176.300 -0.069 0.000 1.131 478 R CA 1.761 57.861 56.100 0.001 0.000 0.960 478 R CB -0.298 30.062 30.300 0.101 0.000 0.856 478 R HN 0.422 nan 8.270 nan 0.000 0.436 479 D N -0.193 120.163 120.400 -0.072 0.000 2.144 479 D HA -0.116 4.524 4.640 0.000 0.000 0.200 479 D C 1.878 177.980 176.300 -0.331 0.000 0.978 479 D CA 0.978 54.923 54.000 -0.090 0.000 0.833 479 D CB -0.021 40.823 40.800 0.073 0.000 0.961 479 D HN 0.097 nan 8.370 nan 0.000 0.470 480 V N 1.086 120.630 119.914 -0.617 0.000 2.379 480 V HA -0.199 3.921 4.120 0.000 0.000 0.245 480 V C 2.183 177.902 176.094 -0.625 0.000 1.044 480 V CA 1.407 63.156 62.300 -0.918 0.000 1.036 480 V CB -0.485 30.758 31.823 -0.968 0.000 0.664 480 V HN 0.130 nan 8.190 nan 0.000 0.453 481 N N 0.314 118.783 118.700 -0.385 0.000 2.120 481 N HA -0.132 4.608 4.740 0.000 0.000 0.188 481 N C 1.660 177.111 175.510 -0.099 0.000 1.024 481 N CA 1.579 54.516 53.050 -0.188 0.000 0.852 481 N CB -0.259 38.193 38.487 -0.059 0.000 1.003 481 N HN 0.433 nan 8.380 nan 0.000 0.424 482 L N -0.463 120.696 121.223 -0.106 0.000 2.093 482 L HA -0.018 4.323 4.340 0.000 0.000 0.208 482 L C 2.357 179.207 176.870 -0.033 0.000 1.085 482 L CA 1.084 55.897 54.840 -0.045 0.000 0.755 482 L CB -0.570 41.474 42.059 -0.026 0.000 0.904 482 L HN 0.199 nan 8.230 nan 0.000 0.435 483 A N 0.251 123.016 122.820 -0.093 0.000 1.969 483 A HA -0.190 4.131 4.320 0.000 0.000 0.218 483 A C 2.508 180.124 177.584 0.052 0.000 1.169 483 A CA 1.766 53.792 52.037 -0.018 0.000 0.635 483 A CB -0.581 18.377 19.000 -0.070 0.000 0.810 483 A HN 0.519 nan 8.150 nan 0.000 0.445 484 S N 0.143 115.829 115.700 -0.025 0.000 2.447 484 S HA -0.155 4.315 4.470 0.000 0.000 0.233 484 S C 1.461 176.137 174.600 0.126 0.000 1.006 484 S CA 1.295 59.575 58.200 0.133 0.000 0.957 484 S CB -0.392 62.911 63.200 0.173 0.000 0.773 484 S HN 0.723 nan 8.310 nan 0.000 0.507 485 E N 1.316 121.563 120.200 0.077 0.000 2.170 485 E HA 0.082 4.432 4.350 0.000 0.000 0.191 485 E C 0.944 177.581 176.600 0.061 0.000 0.981 485 E CA 0.146 56.583 56.400 0.061 0.000 0.830 485 E CB -0.163 29.560 29.700 0.038 0.000 0.775 485 E HN 0.594 nan 8.360 nan 0.000 0.470 486 N N 0.000 118.742 118.700 0.069 0.000 1.763 486 N HA 0.000 4.740 4.740 0.000 0.000 0.220 486 N CA 0.000 53.092 53.050 0.070 0.000 0.885 486 N CB 0.000 38.533 38.487 0.078 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667