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 3koy_1_B DATA FIRST_RESID 5 DATA SEQUENCE LQLRVNEKLD VENILKDLDK YTPKRRGWTW RQPAENLQMG PFIYKDASTP DATA SEQUENCE LENSVALPSA KYFGDIDPQP LPVITTEIAS GRFEDDIRRM RMAAWHGADH DATA SEQUENCE IMVIRTAGQS HYDGLIEGTP QGIGGVPITR KQVRAQRKAL DLIEEEVGRP DATA SEQUENCE INYHSYVSGV AGPDIAVMFA EEGVNGAHQD PQYNVLYRNI NMIRSFIDAC DATA SEQUENCE ESKTIMAWAD MAQIDXXXGA HNANATAREA WKVMPELMVQ HALNSIFSLK DATA SEQUENCE VGMKKSNICL STVPPTAPPA PSMYLDLPYA VALREMFEGY RMRAQMNTKY DATA SEQUENCE MEASTREATV THVLNLLISK LTRADIQSTI TPDEGRNVPW HIYNIEACDT DATA SEQUENCE AKQALIGMDG LMDMVQLKRE GVLGDTVREL KERAVLFMEE IIEAGGYFNA DATA SEQUENCE VEQGFFVDSG YYPERNGDGI ARQINGGIGA GTVFERDEDY MAPVTAHFGY DATA SEQUENCE NNVKQYDEAL VSEPSKLIDG CTLEVPEKIV YIDELDENDN VNVRMEETKE DATA SEQUENCE FRXXSMIKPE VEWQADGTVL LTMFLPTSKR VAEFAAIEFA KKMNLEEVEV DATA SEQUENCE INREVMQEAE GTRIELKGRV PFSIDINSLV IPPXXXILSE DEIREDIEKT DATA SEQUENCE PLKIVAATVG EDEHSVGLRE VIDIKHGGIE KYGVEVHYLG TSVPVEKLVD DATA SEQUENCE AAIELKADAI LASTIISHDD IHYKNMKRIH ELAVEKGIRD KIMIGCGGTQ DATA SEQUENCE VTPEVAVKQG VDAGFGRGSK GIHVATFLVK KRREMR 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.872 176.870 0.003 0.000 1.165 5 L CA 0.000 54.843 54.840 0.004 0.000 0.813 5 L CB 0.000 42.063 42.059 0.006 0.000 0.961 6 Q N -0.016 119.787 119.800 0.004 0.000 2.944 6 Q HA 0.605 4.948 4.340 0.006 0.000 0.328 6 Q C -0.718 175.290 176.000 0.013 0.000 0.810 6 Q CA 0.129 55.936 55.803 0.006 0.000 0.847 6 Q CB 1.502 30.240 28.738 0.001 0.000 1.408 6 Q HN 0.151 nan 8.270 nan 0.000 0.484 7 L N 0.346 121.581 121.223 0.019 0.000 2.239 7 L HA -0.072 4.272 4.340 0.006 0.000 0.598 7 L C -0.953 175.947 176.870 0.050 0.000 1.000 7 L CA 0.018 54.881 54.840 0.038 0.000 1.288 7 L CB -0.347 41.738 42.059 0.043 0.000 1.989 7 L HN 0.930 nan 8.230 nan 0.000 0.990 8 R N 2.112 122.645 120.500 0.055 0.000 2.621 8 R HA 0.421 4.764 4.340 0.006 0.000 0.284 8 R C 0.850 177.192 176.300 0.071 0.000 0.998 8 R CA -0.244 55.891 56.100 0.058 0.000 0.895 8 R CB 2.131 32.450 30.300 0.032 0.000 1.195 8 R HN 0.385 nan 8.270 nan 0.000 0.450 9 V N 0.093 120.069 119.914 0.102 0.000 2.490 9 V HA -0.221 3.903 4.120 0.006 0.000 0.250 9 V C 1.115 177.204 176.094 -0.009 0.000 1.061 9 V CA 2.030 64.395 62.300 0.109 0.000 1.064 9 V CB -0.481 31.463 31.823 0.201 0.000 0.670 9 V HN 0.883 nan 8.190 nan 0.000 0.461 10 N N -0.065 118.632 118.700 -0.005 0.000 2.313 10 N HA 0.141 4.885 4.740 0.006 0.000 0.207 10 N C 0.076 175.566 175.510 -0.032 0.000 1.141 10 N CA 0.078 53.108 53.050 -0.033 0.000 0.830 10 N CB -0.078 38.397 38.487 -0.019 0.000 1.008 10 N HN 0.782 nan 8.380 nan 0.000 0.481 11 E N 0.655 120.841 120.200 -0.024 0.000 2.218 11 E HA 0.241 4.595 4.350 0.006 0.000 0.263 11 E C -0.814 175.770 176.600 -0.027 0.000 0.879 11 E CA -0.695 55.693 56.400 -0.021 0.000 0.762 11 E CB 1.665 31.362 29.700 -0.006 0.000 1.166 11 E HN 0.078 nan 8.360 nan 0.000 0.415 12 K N 2.584 122.961 120.400 -0.037 0.000 2.485 12 K HA 0.071 4.394 4.320 0.006 0.000 0.277 12 K C 0.172 176.756 176.600 -0.026 0.000 0.990 12 K CA -0.029 56.233 56.287 -0.041 0.000 0.994 12 K CB 0.508 32.982 32.500 -0.043 0.000 0.906 12 K HN 0.485 nan 8.250 nan 0.000 0.488 13 L N 2.507 123.715 121.223 -0.025 0.000 2.615 13 L HA -0.139 4.205 4.340 0.006 0.000 0.284 13 L C 0.551 177.407 176.870 -0.024 0.000 1.237 13 L CA 0.287 55.116 54.840 -0.018 0.000 0.905 13 L CB -0.022 42.025 42.059 -0.020 0.000 1.149 13 L HN 0.581 nan 8.230 nan 0.000 0.499 14 D N 3.175 123.563 120.400 -0.020 0.000 2.468 14 D HA 0.144 4.788 4.640 0.006 0.000 0.218 14 D C 0.894 177.177 176.300 -0.027 0.000 1.155 14 D CA -0.237 53.750 54.000 -0.022 0.000 0.924 14 D CB 1.157 41.947 40.800 -0.017 0.000 1.029 14 D HN 0.218 nan 8.370 nan 0.000 0.515 15 V N 3.377 123.270 119.914 -0.034 0.000 2.295 15 V HA -0.221 3.903 4.120 0.006 0.000 0.246 15 V C 2.313 178.390 176.094 -0.028 0.000 1.049 15 V CA 1.626 63.900 62.300 -0.043 0.000 1.024 15 V CB -0.464 31.316 31.823 -0.072 0.000 0.648 15 V HN 0.587 nan 8.190 nan 0.000 0.447 16 E N 0.173 120.359 120.200 -0.024 0.000 2.114 16 E HA -0.327 4.026 4.350 0.006 0.000 0.199 16 E C 2.047 178.642 176.600 -0.008 0.000 1.008 16 E CA 2.027 58.419 56.400 -0.012 0.000 0.810 16 E CB -0.169 29.525 29.700 -0.010 0.000 0.739 16 E HN 0.643 nan 8.360 nan 0.000 0.456 17 N N -0.287 118.405 118.700 -0.014 0.000 2.250 17 N HA -0.053 4.690 4.740 0.006 0.000 0.181 17 N C 1.651 177.146 175.510 -0.024 0.000 1.017 17 N CA 0.846 53.886 53.050 -0.016 0.000 0.866 17 N CB 0.036 38.512 38.487 -0.017 0.000 0.985 17 N HN 0.133 nan 8.380 nan 0.000 0.429 18 I N 0.365 120.916 120.570 -0.031 0.000 2.286 18 I HA -0.242 3.932 4.170 0.006 0.000 0.248 18 I C 1.678 177.774 176.117 -0.034 0.000 1.115 18 I CA 0.826 62.095 61.300 -0.051 0.000 1.392 18 I CB -0.251 37.718 38.000 -0.052 0.000 1.065 18 I HN 0.220 nan 8.210 nan 0.000 0.418 19 L N 0.494 121.723 121.223 0.010 0.000 2.265 19 L HA -0.116 4.228 4.340 0.006 0.000 0.215 19 L C 0.953 177.837 176.870 0.024 0.000 1.117 19 L CA 0.802 55.672 54.840 0.049 0.000 0.782 19 L CB -0.607 41.503 42.059 0.085 0.000 0.914 19 L HN 0.186 nan 8.230 nan 0.000 0.441 20 K N 1.129 121.529 120.400 0.000 0.000 2.368 20 K HA 0.010 4.334 4.320 0.006 0.000 0.282 20 K C -0.081 176.501 176.600 -0.030 0.000 1.035 20 K CA 0.006 56.288 56.287 -0.009 0.000 0.973 20 K CB 0.596 33.090 32.500 -0.010 0.000 0.957 20 K HN 0.010 nan 8.250 nan 0.000 0.474 21 D N 1.303 121.679 120.400 -0.040 0.000 3.099 21 D HA -0.189 4.454 4.640 0.006 0.000 0.213 21 D C 0.936 177.173 176.300 -0.104 0.000 1.121 21 D CA 0.627 54.589 54.000 -0.063 0.000 0.951 21 D CB -1.289 39.490 40.800 -0.035 0.000 1.102 21 D HN 0.528 nan 8.370 nan 0.000 0.423 22 L N 0.342 121.486 121.223 -0.131 0.000 2.089 22 L HA -0.260 4.084 4.340 0.006 0.000 0.213 22 L C 2.289 178.918 176.870 -0.402 0.000 1.079 22 L CA 2.398 57.139 54.840 -0.166 0.000 0.758 22 L CB -0.578 41.450 42.059 -0.052 0.000 0.891 22 L HN 0.254 nan 8.230 nan 0.000 0.433 23 D N -0.238 119.748 120.400 -0.690 0.000 2.149 23 D HA -0.243 4.401 4.640 0.006 0.000 0.198 23 D C 1.753 177.897 176.300 -0.260 0.000 0.990 23 D CA 1.205 54.768 54.000 -0.729 0.000 0.839 23 D CB -0.221 40.287 40.800 -0.487 0.000 0.948 23 D HN 0.149 nan 8.370 nan 0.000 0.460 24 K N -1.207 119.112 120.400 -0.134 0.000 2.476 24 K HA 0.073 4.396 4.320 0.006 0.000 0.196 24 K C -0.582 176.036 176.600 0.030 0.000 1.025 24 K CA -0.362 55.901 56.287 -0.041 0.000 1.138 24 K CB -0.025 32.461 32.500 -0.023 0.000 0.860 24 K HN 0.228 nan 8.250 nan 0.000 0.515 25 Y N 0.203 120.442 120.300 -0.102 0.000 2.308 25 Y HA 0.263 4.816 4.550 0.006 0.000 0.329 25 Y C -0.432 175.458 175.900 -0.018 0.000 1.111 25 Y CA -0.227 57.841 58.100 -0.054 0.000 1.179 25 Y CB 1.323 39.752 38.460 -0.051 0.000 1.201 25 Y HN -0.244 nan 8.280 nan 0.000 0.483 26 T N 8.365 122.385 114.554 -0.890 0.000 2.921 26 T HA 0.357 4.710 4.350 0.006 0.000 0.297 26 T C -2.853 171.336 174.700 -0.853 0.000 1.013 26 T CA -1.461 60.204 62.100 -0.724 0.000 0.990 26 T CB 1.596 70.297 68.868 -0.279 0.000 1.023 26 T HN 0.414 nan 8.240 nan 0.000 0.447 27 P HA 0.180 nan 4.420 nan 0.000 0.264 27 P C 0.525 177.747 177.300 -0.129 0.000 1.193 27 P CA -0.049 62.895 63.100 -0.262 0.000 0.763 27 P CB 0.547 32.174 31.700 -0.121 0.000 0.810 28 K N 2.571 122.945 120.400 -0.043 0.000 2.362 28 K HA -0.075 4.248 4.320 0.006 0.000 0.200 28 K C 0.833 177.412 176.600 -0.034 0.000 1.046 28 K CA 0.900 57.174 56.287 -0.022 0.000 0.952 28 K CB -0.002 32.504 32.500 0.010 0.000 0.753 28 K HN 0.563 nan 8.250 nan 0.000 0.466 29 R N -0.787 119.690 120.500 -0.037 0.000 2.739 29 R HA 0.300 4.643 4.340 0.006 0.000 0.266 29 R C -1.520 174.754 176.300 -0.043 0.000 1.044 29 R CA -0.954 55.119 56.100 -0.046 0.000 0.885 29 R CB 0.984 31.253 30.300 -0.051 0.000 1.260 29 R HN -0.175 nan 8.270 nan 0.000 0.477 30 R N 0.584 121.048 120.500 -0.060 0.000 2.873 30 R HA 0.775 5.118 4.340 0.006 0.000 0.264 30 R C -0.212 176.046 176.300 -0.069 0.000 1.026 30 R CA -0.397 55.666 56.100 -0.061 0.000 1.002 30 R CB 1.906 32.141 30.300 -0.109 0.000 1.174 30 R HN 1.035 nan 8.270 nan 0.000 0.488 31 G N 0.802 109.575 108.800 -0.046 0.000 2.756 31 G HA2 -0.232 3.732 3.960 0.006 0.000 0.678 31 G HA3 -0.232 3.732 3.960 0.006 0.000 0.678 31 G C -1.298 173.600 174.900 -0.003 0.000 1.349 31 G CA -0.496 44.589 45.100 -0.025 0.000 0.847 31 G HN 0.616 nan 8.290 nan 0.000 0.548 32 W N 1.621 122.790 121.300 -0.218 0.000 2.449 32 W HA 0.657 5.321 4.660 0.006 0.000 0.331 32 W C 0.317 176.594 176.519 -0.405 0.000 1.119 32 W CA 0.224 57.362 57.345 -0.344 0.000 1.240 32 W CB 1.727 30.909 29.460 -0.463 0.000 1.251 32 W HN 1.178 nan 8.180 nan 0.000 0.576 33 T N 1.802 115.723 114.554 -1.054 0.000 2.824 33 T HA 0.460 4.814 4.350 0.006 0.000 0.282 33 T C -1.086 173.092 174.700 -0.871 0.000 0.993 33 T CA -0.523 61.153 62.100 -0.706 0.000 0.967 33 T CB 1.137 69.750 68.868 -0.424 0.000 0.960 33 T HN 0.423 nan 8.240 nan 0.000 0.441 34 W N 1.431 122.648 121.300 -0.138 0.000 2.448 34 W HA 0.566 5.229 4.660 0.006 0.000 0.339 34 W C 0.931 177.408 176.519 -0.070 0.000 1.124 34 W CA -1.375 55.953 57.345 -0.028 0.000 1.262 34 W CB 0.933 30.446 29.460 0.088 0.000 1.251 34 W HN 0.446 nan 8.180 nan 0.000 0.597 35 R N 1.478 122.111 120.500 0.223 0.000 2.643 35 R HA 0.067 4.411 4.340 0.006 0.000 0.270 35 R C -0.222 176.136 176.300 0.097 0.000 1.061 35 R CA -0.467 55.690 56.100 0.095 0.000 1.107 35 R CB 0.347 30.690 30.300 0.071 0.000 0.999 35 R HN 0.309 nan 8.270 nan 0.000 0.460 36 Q N 2.800 122.626 119.800 0.044 0.000 2.278 36 Q HA 0.257 4.601 4.340 0.006 0.000 0.257 36 Q C -2.357 173.653 176.000 0.017 0.000 0.928 36 Q CA -2.089 53.734 55.803 0.033 0.000 0.932 36 Q CB 1.398 30.145 28.738 0.015 0.000 1.221 36 Q HN 0.227 nan 8.270 nan 0.000 0.434 37 P HA 0.102 nan 4.420 nan 0.000 0.267 37 P C -1.522 175.781 177.300 0.006 0.000 1.200 37 P CA 0.113 63.217 63.100 0.007 0.000 0.772 37 P CB 0.770 32.470 31.700 0.001 0.000 0.855 38 A N 2.479 125.303 122.820 0.008 0.000 2.586 38 A HA 0.259 4.583 4.320 0.006 0.000 0.320 38 A C -0.056 177.545 177.584 0.027 0.000 1.281 38 A CA -0.562 51.482 52.037 0.012 0.000 0.775 38 A CB 0.193 19.196 19.000 0.005 0.000 1.122 38 A HN 0.365 nan 8.150 nan 0.000 0.470 39 E N 1.941 122.155 120.200 0.024 0.000 2.413 39 E HA -0.013 4.340 4.350 0.006 0.000 0.263 39 E C -0.066 176.559 176.600 0.042 0.000 1.015 39 E CA 0.050 56.467 56.400 0.029 0.000 0.916 39 E CB 0.307 30.018 29.700 0.018 0.000 0.947 39 E HN 0.639 nan 8.360 nan 0.000 0.440 40 N N 1.138 119.868 118.700 0.051 0.000 2.700 40 N HA -0.249 4.494 4.740 0.006 0.000 0.265 40 N C -0.444 175.111 175.510 0.076 0.000 0.975 40 N CA 0.312 53.396 53.050 0.058 0.000 0.800 40 N CB -0.780 37.728 38.487 0.034 0.000 0.908 40 N HN 0.265 nan 8.380 nan 0.000 0.551 41 L N 1.128 122.422 121.223 0.118 0.000 2.313 41 L HA 0.152 4.496 4.340 0.006 0.000 0.282 41 L C 0.653 177.638 176.870 0.190 0.000 1.092 41 L CA -0.008 54.907 54.840 0.126 0.000 0.831 41 L CB 0.982 43.104 42.059 0.105 0.000 1.159 41 L HN 0.209 nan 8.230 nan 0.000 0.442 42 Q N 5.200 125.077 119.800 0.128 0.000 2.288 42 Q HA 0.506 4.849 4.340 0.006 0.000 0.258 42 Q C -1.287 174.811 176.000 0.162 0.000 0.957 42 Q CA 0.250 56.135 55.803 0.136 0.000 0.919 42 Q CB 0.708 29.486 28.738 0.068 0.000 1.185 42 Q HN 0.690 nan 8.270 nan 0.000 0.408 43 M N 3.691 123.446 119.600 0.259 0.000 2.327 43 M HA 0.424 4.908 4.480 0.006 0.000 0.298 43 M C 0.571 176.987 176.300 0.193 0.000 1.065 43 M CA -0.400 55.034 55.300 0.223 0.000 0.916 43 M CB 1.843 34.592 32.600 0.249 0.000 1.630 43 M HN 0.960 nan 8.290 nan 0.000 0.442 44 G N 4.092 112.951 108.800 0.097 0.000 2.661 44 G HA2 -0.263 3.701 3.960 0.006 0.000 0.327 44 G HA3 -0.263 3.701 3.960 0.006 0.000 0.327 44 G C -1.996 172.832 174.900 -0.119 0.000 1.320 44 G CA 0.249 45.357 45.100 0.013 0.000 0.997 44 G HN 0.554 nan 8.290 nan 0.000 0.543 45 P HA 0.262 nan 4.420 nan 0.000 0.236 45 P C 0.325 177.302 177.300 -0.539 0.000 1.177 45 P CA 0.742 63.498 63.100 -0.574 0.000 0.773 45 P CB 0.073 31.211 31.700 -0.937 0.000 0.878 46 F N -0.603 119.325 119.950 -0.037 0.000 2.509 46 F HA 0.479 5.009 4.527 0.006 0.000 0.334 46 F C 0.800 176.470 175.800 -0.216 0.000 1.060 46 F CA -1.464 56.419 58.000 -0.195 0.000 0.997 46 F CB 0.550 39.317 39.000 -0.388 0.000 1.271 46 F HN -0.397 nan 8.300 nan 0.000 0.488 47 I N 0.581 121.066 120.570 -0.141 0.000 2.569 47 I HA 0.366 4.540 4.170 0.006 0.000 0.296 47 I C -1.474 174.422 176.117 -0.368 0.000 1.028 47 I CA -0.922 60.301 61.300 -0.128 0.000 1.082 47 I CB 2.169 40.146 38.000 -0.038 0.000 1.264 47 I HN 0.439 nan 8.210 nan 0.000 0.429 48 Y N 4.149 124.471 120.300 0.037 0.000 2.393 48 Y HA 0.372 4.926 4.550 0.006 0.000 0.341 48 Y C 0.901 176.804 175.900 0.005 0.000 0.988 48 Y CA -0.860 57.247 58.100 0.012 0.000 1.078 48 Y CB 1.673 40.138 38.460 0.008 0.000 1.203 48 Y HN 0.365 nan 8.280 nan 0.000 0.453 49 K N 0.609 121.079 120.400 0.116 0.000 2.186 49 K HA 0.041 4.364 4.320 0.006 0.000 0.202 49 K C -0.417 176.226 176.600 0.071 0.000 1.052 49 K CA 0.905 57.233 56.287 0.068 0.000 0.965 49 K CB 0.269 32.788 32.500 0.031 0.000 0.746 49 K HN 0.702 nan 8.250 nan 0.000 0.457 50 D N 0.456 120.911 120.400 0.091 0.000 2.891 50 D HA 0.227 4.870 4.640 0.006 0.000 0.332 50 D C -0.534 175.793 176.300 0.044 0.000 1.369 50 D CA -0.035 53.998 54.000 0.055 0.000 0.827 50 D CB 0.671 41.495 40.800 0.040 0.000 1.141 50 D HN -0.009 nan 8.370 nan 0.000 0.464 51 A N 0.516 123.364 122.820 0.047 0.000 2.281 51 A HA 0.762 5.086 4.320 0.006 0.000 0.329 51 A C 0.508 178.084 177.584 -0.013 0.000 1.122 51 A CA -0.433 51.594 52.037 -0.018 0.000 0.850 51 A CB 1.185 20.129 19.000 -0.093 0.000 1.207 51 A HN 0.145 nan 8.150 nan 0.000 0.495 52 S N -0.571 115.108 115.700 -0.034 0.000 2.726 52 S HA 0.639 5.113 4.470 0.006 0.000 0.308 52 S C 0.013 174.591 174.600 -0.037 0.000 1.115 52 S CA -0.425 57.762 58.200 -0.021 0.000 0.965 52 S CB 0.637 63.831 63.200 -0.009 0.000 1.145 52 S HN 0.765 nan 8.310 nan 0.000 0.532 53 T N 4.097 118.634 114.554 -0.028 0.000 2.867 53 T HA 0.164 4.518 4.350 0.006 0.000 0.290 53 T C -2.106 172.561 174.700 -0.054 0.000 1.025 53 T CA 0.090 62.169 62.100 -0.036 0.000 1.146 53 T CB -0.478 68.370 68.868 -0.034 0.000 1.024 53 T HN 0.556 nan 8.240 nan 0.000 0.519 54 P HA 0.328 nan 4.420 nan 0.000 0.279 54 P C -0.189 177.061 177.300 -0.083 0.000 1.252 54 P CA -0.683 62.372 63.100 -0.074 0.000 0.811 54 P CB 0.741 32.401 31.700 -0.065 0.000 1.035 55 L N 1.549 122.710 121.223 -0.103 0.000 2.417 55 L HA 0.120 4.464 4.340 0.006 0.000 0.268 55 L C 1.860 178.644 176.870 -0.143 0.000 1.158 55 L CA 0.028 54.784 54.840 -0.140 0.000 0.819 55 L CB 0.072 42.020 42.059 -0.184 0.000 1.112 55 L HN 0.453 nan 8.230 nan 0.000 0.458 56 E N 0.756 120.858 120.200 -0.165 0.000 2.158 56 E HA 0.004 4.358 4.350 0.006 0.000 0.191 56 E C -0.127 176.352 176.600 -0.201 0.000 0.982 56 E CA 0.746 57.057 56.400 -0.149 0.000 0.823 56 E CB 0.290 29.913 29.700 -0.127 0.000 0.766 56 E HN 0.476 nan 8.360 nan 0.000 0.468 57 N N 0.600 119.086 118.700 -0.356 0.000 2.577 57 N HA 0.127 4.870 4.740 0.006 0.000 0.275 57 N C -1.286 173.705 175.510 -0.866 0.000 1.091 57 N CA -0.065 52.643 53.050 -0.570 0.000 0.843 57 N CB 1.870 39.921 38.487 -0.728 0.000 1.295 57 N HN -0.019 nan 8.380 nan 0.000 0.530 58 S N -0.017 115.461 115.700 -0.370 0.000 2.806 58 S HA 0.673 5.147 4.470 0.006 0.000 0.315 58 S C -0.473 174.252 174.600 0.208 0.000 1.127 58 S CA -0.616 57.493 58.200 -0.151 0.000 0.918 58 S CB 1.930 65.060 63.200 -0.118 0.000 1.240 58 S HN 0.034 nan 8.310 nan 0.000 0.552 59 V N 1.303 121.262 119.914 0.076 0.000 2.409 59 V HA 0.726 4.849 4.120 0.006 0.000 0.290 59 V C 0.458 176.478 176.094 -0.125 0.000 1.017 59 V CA -0.573 61.697 62.300 -0.050 0.000 0.841 59 V CB 0.682 32.322 31.823 -0.305 0.000 1.003 59 V HN 1.187 nan 8.190 nan 0.000 0.426 60 A N 5.184 127.988 122.820 -0.027 0.000 2.366 60 A HA 0.657 4.980 4.320 0.006 0.000 0.249 60 A C 0.107 177.708 177.584 0.028 0.000 1.084 60 A CA -0.366 51.676 52.037 0.007 0.000 0.794 60 A CB 0.237 19.262 19.000 0.041 0.000 1.034 60 A HN 0.837 nan 8.150 nan 0.000 0.491 61 L N 1.774 123.038 121.223 0.067 0.000 2.514 61 L HA 0.017 4.360 4.340 0.006 0.000 0.280 61 L C -1.167 175.764 176.870 0.101 0.000 1.223 61 L CA -0.918 53.984 54.840 0.103 0.000 0.864 61 L CB 0.313 42.445 42.059 0.123 0.000 1.118 61 L HN 0.599 nan 8.230 nan 0.000 0.494 62 P HA -0.184 nan 4.420 nan 0.000 0.216 62 P C 1.258 178.595 177.300 0.061 0.000 1.157 62 P CA 1.249 64.393 63.100 0.073 0.000 0.880 62 P CB 0.198 31.948 31.700 0.084 0.000 0.791 63 S N -1.544 114.240 115.700 0.140 0.000 2.660 63 S HA 0.104 4.577 4.470 0.006 0.000 0.228 63 S C 1.673 176.429 174.600 0.259 0.000 0.966 63 S CA 0.556 58.890 58.200 0.223 0.000 0.940 63 S CB -0.809 62.611 63.200 0.366 0.000 0.773 63 S HN 0.116 nan 8.310 nan 0.000 0.535 64 A N 2.178 125.111 122.820 0.188 0.000 2.119 64 A HA -0.084 4.240 4.320 0.006 0.000 0.217 64 A C 1.977 179.623 177.584 0.103 0.000 1.153 64 A CA 1.060 53.254 52.037 0.262 0.000 0.692 64 A CB -0.373 18.741 19.000 0.190 0.000 0.799 64 A HN 0.686 nan 8.150 nan 0.000 0.458 65 K N -1.018 119.313 120.400 -0.114 0.000 2.160 65 K HA -0.233 4.091 4.320 0.006 0.000 0.206 65 K C 1.214 177.624 176.600 -0.317 0.000 1.047 65 K CA 1.956 58.091 56.287 -0.253 0.000 0.930 65 K CB -0.699 31.573 32.500 -0.381 0.000 0.720 65 K HN 0.496 nan 8.250 nan 0.000 0.450 66 Y N -0.128 120.038 120.300 -0.224 0.000 2.583 66 Y HA 0.091 4.645 4.550 0.006 0.000 0.293 66 Y C 0.396 175.946 175.900 -0.584 0.000 1.157 66 Y CA 0.074 57.879 58.100 -0.491 0.000 1.315 66 Y CB 0.045 38.024 38.460 -0.802 0.000 1.021 66 Y HN -0.017 nan 8.280 nan 0.000 0.536 67 F N -0.826 119.253 119.950 0.215 0.000 2.761 67 F HA 0.525 5.056 4.527 0.006 0.000 0.367 67 F C 1.111 176.979 175.800 0.114 0.000 1.386 67 F CA -1.011 57.109 58.000 0.200 0.000 1.177 67 F CB 0.727 39.947 39.000 0.367 0.000 1.092 67 F HN -0.027 nan 8.300 nan 0.000 0.517 68 G N 0.478 109.373 108.800 0.159 0.000 2.249 68 G HA2 -0.315 3.648 3.960 0.006 0.000 0.273 68 G HA3 -0.315 3.648 3.960 0.006 0.000 0.273 68 G C 0.379 175.343 174.900 0.107 0.000 1.036 68 G CA 0.370 45.531 45.100 0.102 0.000 0.824 68 G HN 0.612 nan 8.290 nan 0.000 0.504 69 D N -1.155 119.310 120.400 0.109 0.000 2.931 69 D HA -0.246 4.397 4.640 0.006 0.000 0.228 69 D C 1.359 177.721 176.300 0.104 0.000 1.180 69 D CA 1.488 55.543 54.000 0.092 0.000 0.784 69 D CB -1.152 39.676 40.800 0.047 0.000 1.093 69 D HN 1.148 nan 8.370 nan 0.000 0.421 70 I N -1.699 118.961 120.570 0.151 0.000 2.948 70 I HA 0.134 4.307 4.170 0.006 0.000 0.290 70 I C 0.483 176.650 176.117 0.084 0.000 1.226 70 I CA 0.459 61.832 61.300 0.120 0.000 1.413 70 I CB 0.491 38.598 38.000 0.179 0.000 1.352 70 I HN -0.253 nan 8.210 nan 0.000 0.597 71 D N 6.046 126.460 120.400 0.022 0.000 2.621 71 D HA 0.421 5.065 4.640 0.006 0.000 0.274 71 D C -2.653 173.603 176.300 -0.073 0.000 1.215 71 D CA -1.679 52.313 54.000 -0.012 0.000 0.810 71 D CB 0.859 41.649 40.800 -0.017 0.000 1.248 71 D HN 0.357 nan 8.370 nan 0.000 0.517 72 P HA 0.213 nan 4.420 nan 0.000 0.275 72 P C -0.678 176.505 177.300 -0.196 0.000 1.228 72 P CA -0.333 62.602 63.100 -0.274 0.000 0.786 72 P CB 0.844 32.156 31.700 -0.646 0.000 0.927 73 Q N 2.890 122.592 119.800 -0.164 0.000 2.316 73 Q HA 0.406 4.749 4.340 0.006 0.000 0.264 73 Q C -2.262 173.691 176.000 -0.078 0.000 0.987 73 Q CA -2.062 53.684 55.803 -0.094 0.000 0.852 73 Q CB 1.761 30.459 28.738 -0.068 0.000 1.287 73 Q HN 0.393 nan 8.270 nan 0.000 0.448 74 P HA 0.111 nan 4.420 nan 0.000 0.274 74 P C 0.810 178.113 177.300 0.006 0.000 1.256 74 P CA -0.350 62.741 63.100 -0.016 0.000 0.795 74 P CB 1.213 32.917 31.700 0.006 0.000 1.038 75 L N -0.425 120.807 121.223 0.016 0.000 2.012 75 L HA -0.050 4.294 4.340 0.006 0.000 0.210 75 L C -1.066 175.839 176.870 0.059 0.000 1.073 75 L CA 1.547 56.403 54.840 0.027 0.000 0.748 75 L CB -1.852 40.216 42.059 0.016 0.000 0.891 75 L HN 0.392 nan 8.230 nan 0.000 0.431 76 P HA 0.161 nan 4.420 nan 0.000 0.284 76 P C -0.568 176.817 177.300 0.142 0.000 1.258 76 P CA -0.297 62.874 63.100 0.119 0.000 0.824 76 P CB 1.287 33.046 31.700 0.099 0.000 1.038 77 V N 3.240 123.288 119.914 0.222 0.000 2.740 77 V HA 0.044 4.168 4.120 0.006 0.000 0.303 77 V C 0.559 176.763 176.094 0.183 0.000 1.054 77 V CA 0.483 62.893 62.300 0.183 0.000 1.106 77 V CB -0.194 31.765 31.823 0.228 0.000 0.957 77 V HN 0.349 nan 8.190 nan 0.000 0.486 78 I N 4.225 124.882 120.570 0.145 0.000 2.382 78 I HA 0.333 4.506 4.170 0.006 0.000 0.286 78 I C 0.380 176.594 176.117 0.163 0.000 1.002 78 I CA -0.076 61.305 61.300 0.136 0.000 1.135 78 I CB 1.579 39.634 38.000 0.091 0.000 1.288 78 I HN 0.612 nan 8.210 nan 0.000 0.448 79 T N 3.646 118.293 114.554 0.155 0.000 2.902 79 T HA 0.546 4.900 4.350 0.006 0.000 0.280 79 T C 0.229 174.940 174.700 0.019 0.000 0.992 79 T CA -0.523 61.624 62.100 0.078 0.000 1.015 79 T CB 2.180 71.031 68.868 -0.029 0.000 1.044 79 T HN 0.645 nan 8.240 nan 0.000 0.520 80 T N 0.838 115.379 114.554 -0.021 0.000 3.012 80 T HA 0.303 4.656 4.350 0.006 0.000 0.330 80 T C -1.822 172.874 174.700 -0.008 0.000 1.321 80 T CA -0.701 61.402 62.100 0.005 0.000 1.067 80 T CB 1.303 70.203 68.868 0.053 0.000 1.235 80 T HN 0.629 nan 8.240 nan 0.000 0.479 81 E N 4.252 124.459 120.200 0.011 0.000 2.035 81 E HA 0.408 4.762 4.350 0.006 0.000 0.271 81 E C -0.238 176.402 176.600 0.067 0.000 0.953 81 E CA -0.508 55.907 56.400 0.025 0.000 0.777 81 E CB 0.859 30.572 29.700 0.022 0.000 1.104 81 E HN 0.463 nan 8.360 nan 0.000 0.408 82 I N 1.827 122.453 120.570 0.095 0.000 2.354 82 I HA 0.655 4.829 4.170 0.006 0.000 0.292 82 I C -0.134 176.071 176.117 0.146 0.000 0.989 82 I CA -0.849 60.529 61.300 0.129 0.000 1.188 82 I CB 1.400 39.493 38.000 0.155 0.000 1.342 82 I HN 0.456 nan 8.210 nan 0.000 0.457 83 A N 3.736 126.644 122.820 0.147 0.000 2.411 83 A HA 0.398 4.722 4.320 0.006 0.000 0.303 83 A C 0.033 177.718 177.584 0.169 0.000 1.038 83 A CA -0.366 51.769 52.037 0.165 0.000 1.011 83 A CB 0.464 19.544 19.000 0.133 0.000 1.505 83 A HN 0.756 nan 8.150 nan 0.000 0.380 84 S N 0.629 116.473 115.700 0.240 0.000 2.540 84 S HA 0.514 4.987 4.470 0.006 0.000 0.222 84 S C 1.414 176.292 174.600 0.463 0.000 1.008 84 S CA 0.894 59.276 58.200 0.304 0.000 0.939 84 S CB 0.664 64.097 63.200 0.388 0.000 0.865 84 S HN 2.634 nan 8.310 nan 0.000 0.499 85 G N 2.116 111.128 108.800 0.353 0.000 2.376 85 G HA2 -0.187 3.776 3.960 0.006 0.000 0.208 85 G HA3 -0.187 3.776 3.960 0.006 0.000 0.208 85 G C 0.129 175.135 174.900 0.177 0.000 1.032 85 G CA -0.533 44.750 45.100 0.305 0.000 0.641 85 G HN 0.479 nan 8.290 nan 0.000 0.503 86 R N 1.422 121.995 120.500 0.121 0.000 2.471 86 R HA 0.445 4.789 4.340 0.006 0.000 0.292 86 R C 1.516 177.806 176.300 -0.016 0.000 1.192 86 R CA -0.086 55.944 56.100 -0.117 0.000 1.257 86 R CB -0.135 29.812 30.300 -0.589 0.000 1.130 86 R HN 0.544 nan 8.270 nan 0.000 0.558 87 F N 2.272 122.246 119.950 0.040 0.000 2.176 87 F HA -0.298 4.233 4.527 0.006 0.000 0.301 87 F C 2.003 177.837 175.800 0.058 0.000 1.071 87 F CA 1.585 59.631 58.000 0.077 0.000 1.289 87 F CB -0.079 38.969 39.000 0.080 0.000 1.028 87 F HN 0.357 nan 8.300 nan 0.000 0.494 88 E N 0.835 120.272 120.200 -1.273 0.000 2.107 88 E HA -0.220 4.134 4.350 0.006 0.000 0.191 88 E C 1.319 177.680 176.600 -0.399 0.000 0.982 88 E CA 1.634 57.385 56.400 -1.082 0.000 0.809 88 E CB -0.926 28.183 29.700 -0.985 0.000 0.756 88 E HN 0.529 nan 8.360 nan 0.000 0.459 89 D N 1.435 121.697 120.400 -0.231 0.000 2.183 89 D HA -0.109 4.535 4.640 0.006 0.000 0.203 89 D C 1.287 177.621 176.300 0.057 0.000 0.969 89 D CA 1.037 55.020 54.000 -0.028 0.000 0.842 89 D CB -0.108 40.768 40.800 0.127 0.000 0.957 89 D HN 0.191 nan 8.370 nan 0.000 0.484 90 D N 0.732 121.171 120.400 0.066 0.000 2.178 90 D HA -0.086 4.558 4.640 0.006 0.000 0.201 90 D C 2.110 178.475 176.300 0.108 0.000 0.980 90 D CA 0.265 54.351 54.000 0.143 0.000 0.842 90 D CB -0.231 40.676 40.800 0.179 0.000 0.948 90 D HN 0.308 nan 8.370 nan 0.000 0.472 91 I N 0.564 121.160 120.570 0.044 0.000 2.567 91 I HA -0.210 3.964 4.170 0.006 0.000 0.257 91 I C 2.279 178.410 176.117 0.025 0.000 1.184 91 I CA 0.792 62.115 61.300 0.039 0.000 1.451 91 I CB 0.025 38.027 38.000 0.003 0.000 1.089 91 I HN -0.041 nan 8.210 nan 0.000 0.441 92 R N 0.176 120.678 120.500 0.003 0.000 2.055 92 R HA -0.055 4.289 4.340 0.006 0.000 0.226 92 R C 2.408 178.687 176.300 -0.035 0.000 1.135 92 R CA 0.765 56.842 56.100 -0.039 0.000 0.959 92 R CB -0.410 29.833 30.300 -0.095 0.000 0.854 92 R HN 0.208 nan 8.270 nan 0.000 0.431 93 R N 0.901 121.405 120.500 0.008 0.000 2.117 93 R HA -0.136 4.207 4.340 0.006 0.000 0.243 93 R C 2.281 178.642 176.300 0.103 0.000 1.143 93 R CA 1.591 57.741 56.100 0.084 0.000 0.968 93 R CB -0.118 30.377 30.300 0.324 0.000 0.863 93 R HN 0.223 nan 8.270 nan 0.000 0.444 94 M N -0.535 119.131 119.600 0.110 0.000 2.080 94 M HA -0.246 4.238 4.480 0.006 0.000 0.260 94 M C 2.497 178.874 176.300 0.129 0.000 1.068 94 M CA 1.826 57.199 55.300 0.122 0.000 1.109 94 M CB -0.426 32.244 32.600 0.116 0.000 1.342 94 M HN 0.172 nan 8.290 nan 0.000 0.405 95 R N 0.607 121.173 120.500 0.110 0.000 2.081 95 R HA -0.138 4.205 4.340 0.006 0.000 0.235 95 R C 2.058 178.495 176.300 0.229 0.000 1.131 95 R CA 1.666 57.867 56.100 0.168 0.000 0.960 95 R CB -0.178 30.185 30.300 0.106 0.000 0.856 95 R HN 0.328 nan 8.270 nan 0.000 0.436 96 M N 0.103 119.765 119.600 0.103 0.000 2.106 96 M HA -0.189 4.295 4.480 0.006 0.000 0.259 96 M C 2.451 178.903 176.300 0.253 0.000 1.068 96 M CA 2.109 57.474 55.300 0.109 0.000 1.100 96 M CB -0.294 32.304 32.600 -0.004 0.000 1.351 96 M HN 0.319 nan 8.290 nan 0.000 0.404 97 A N 0.161 123.099 122.820 0.197 0.000 1.897 97 A HA 0.061 4.385 4.320 0.006 0.000 0.215 97 A C 2.405 180.134 177.584 0.242 0.000 1.181 97 A CA 1.588 53.747 52.037 0.204 0.000 0.620 97 A CB -0.956 18.131 19.000 0.144 0.000 0.821 97 A HN 0.483 nan 8.150 nan 0.000 0.443 98 A N -1.421 121.533 122.820 0.224 0.000 1.986 98 A HA -0.198 4.126 4.320 0.006 0.000 0.220 98 A C 1.915 179.584 177.584 0.142 0.000 1.171 98 A CA 1.556 53.684 52.037 0.152 0.000 0.640 98 A CB -0.823 18.251 19.000 0.123 0.000 0.811 98 A HN 0.741 nan 8.150 nan 0.000 0.451 99 W N -0.923 120.419 121.300 0.070 0.000 2.418 99 W HA -0.019 4.645 4.660 0.007 0.000 0.292 99 W C 2.166 178.665 176.519 -0.034 0.000 1.213 99 W CA 1.377 58.734 57.345 0.021 0.000 1.283 99 W CB -0.346 29.135 29.460 0.034 0.000 1.119 99 W HN 0.470 nan 8.180 nan 0.000 0.542 100 H N -1.013 118.197 119.070 0.233 0.000 2.556 100 H HA 0.170 4.730 4.556 0.006 0.000 0.268 100 H C 1.595 176.977 175.328 0.090 0.000 0.996 100 H CA 1.144 57.278 56.048 0.144 0.000 1.157 100 H CB -0.012 29.825 29.762 0.125 0.000 1.355 100 H HN 0.300 nan 8.280 nan 0.000 0.597 101 G N 0.172 109.053 108.800 0.136 0.000 2.175 101 G HA2 -0.172 3.791 3.960 0.006 0.000 0.182 101 G HA3 -0.172 3.791 3.960 0.006 0.000 0.182 101 G C 0.258 175.196 174.900 0.062 0.000 1.003 101 G CA -0.088 45.047 45.100 0.058 0.000 0.666 101 G HN 0.545 nan 8.290 nan 0.000 0.506 102 A N 1.248 124.125 122.820 0.095 0.000 2.354 102 A HA 0.581 4.904 4.320 0.006 0.000 0.281 102 A C 0.723 178.344 177.584 0.062 0.000 1.174 102 A CA 0.562 52.653 52.037 0.089 0.000 0.828 102 A CB 0.335 19.401 19.000 0.110 0.000 1.099 102 A HN 0.719 nan 8.150 nan 0.000 0.516 103 D N 1.350 121.778 120.400 0.047 0.000 2.696 103 D HA 0.105 4.749 4.640 0.006 0.000 0.269 103 D C -0.210 176.100 176.300 0.017 0.000 1.319 103 D CA 0.098 54.094 54.000 -0.006 0.000 0.826 103 D CB -0.547 40.205 40.800 -0.081 0.000 1.086 103 D HN 0.677 nan 8.370 nan 0.000 0.481 104 H N 0.477 119.534 119.070 -0.022 0.000 3.224 104 H HA 0.276 4.836 4.556 0.006 0.000 0.331 104 H C -1.294 174.073 175.328 0.064 0.000 1.002 104 H CA -0.718 55.337 56.048 0.011 0.000 1.473 104 H CB 1.075 30.881 29.762 0.074 0.000 1.830 104 H HN -0.104 nan 8.280 nan 0.000 0.485 105 I N 5.899 126.574 120.570 0.176 0.000 2.328 105 I HA 0.241 4.415 4.170 0.006 0.000 0.287 105 I C 0.041 176.166 176.117 0.013 0.000 1.012 105 I CA -0.395 60.967 61.300 0.104 0.000 1.195 105 I CB 1.050 39.184 38.000 0.223 0.000 1.350 105 I HN 0.591 nan 8.210 nan 0.000 0.464 106 M N 5.831 125.361 119.600 -0.116 0.000 2.157 106 M HA 0.412 4.896 4.480 0.006 0.000 0.354 106 M C -0.629 175.681 176.300 0.016 0.000 1.170 106 M CA -0.680 54.536 55.300 -0.140 0.000 1.060 106 M CB 2.136 34.573 32.600 -0.272 0.000 1.615 106 M HN 0.208 nan 8.290 nan 0.000 0.460 107 V N 5.830 125.771 119.914 0.045 0.000 2.334 107 V HA 0.392 4.516 4.120 0.006 0.000 0.281 107 V C 0.170 176.404 176.094 0.233 0.000 1.016 107 V CA -0.607 61.769 62.300 0.126 0.000 0.832 107 V CB 1.112 33.003 31.823 0.112 0.000 0.999 107 V HN 0.722 nan 8.190 nan 0.000 0.439 108 I N 5.151 125.830 120.570 0.181 0.000 2.529 108 I HA 0.310 4.484 4.170 0.006 0.000 0.284 108 I C 1.043 177.144 176.117 -0.026 0.000 1.082 108 I CA -0.270 61.049 61.300 0.031 0.000 1.406 108 I CB 0.615 38.553 38.000 -0.103 0.000 1.405 108 I HN 0.564 nan 8.210 nan 0.000 0.548 109 R N 2.647 123.066 120.500 -0.134 0.000 2.738 109 R HA 0.198 4.542 4.340 0.006 0.000 0.275 109 R C 0.312 176.555 176.300 -0.096 0.000 1.121 109 R CA -0.412 55.640 56.100 -0.079 0.000 1.207 109 R CB 0.315 30.549 30.300 -0.109 0.000 1.141 109 R HN 0.579 nan 8.270 nan 0.000 0.571 110 T N -0.164 114.340 114.554 -0.084 0.000 2.899 110 T HA 0.270 4.623 4.350 0.006 0.000 0.295 110 T C 0.140 174.780 174.700 -0.100 0.000 1.033 110 T CA -0.500 61.564 62.100 -0.060 0.000 1.084 110 T CB 0.578 69.432 68.868 -0.024 0.000 0.979 110 T HN 0.589 nan 8.240 nan 0.000 0.532 111 A N 2.669 125.469 122.820 -0.034 0.000 2.558 111 A HA 0.422 4.746 4.320 0.006 0.000 0.262 111 A C 1.504 179.086 177.584 -0.004 0.000 1.049 111 A CA 0.461 52.491 52.037 -0.011 0.000 0.804 111 A CB -1.481 17.538 19.000 0.031 0.000 0.957 111 A HN 2.140 nan 8.150 nan 0.000 0.520 112 G N 2.275 111.076 108.800 0.002 0.000 2.372 112 G HA2 -0.315 3.649 3.960 0.006 0.000 0.297 112 G HA3 -0.315 3.649 3.960 0.006 0.000 0.297 112 G C 0.562 175.387 174.900 -0.124 0.000 1.005 112 G CA 0.767 45.909 45.100 0.069 0.000 1.173 112 G HN 1.138 nan 8.290 nan 0.000 0.511 113 Q N -0.476 119.094 119.800 -0.384 0.000 2.369 113 Q HA 0.025 4.368 4.340 0.006 0.000 0.206 113 Q C 2.648 178.467 176.000 -0.302 0.000 0.963 113 Q CA 1.296 56.633 55.803 -0.776 0.000 0.894 113 Q CB -0.179 28.215 28.738 -0.574 0.000 0.965 113 Q HN 0.541 nan 8.270 nan 0.000 0.475 114 S N -0.282 115.310 115.700 -0.179 0.000 2.392 114 S HA -0.182 4.292 4.470 0.006 0.000 0.232 114 S C 1.305 175.814 174.600 -0.151 0.000 1.041 114 S CA 1.127 59.230 58.200 -0.161 0.000 1.026 114 S CB -0.251 62.820 63.200 -0.216 0.000 0.845 114 S HN 0.580 nan 8.310 nan 0.000 0.465 115 H N -1.263 117.873 119.070 0.110 0.000 2.548 115 H HA 0.121 4.680 4.556 0.006 0.000 0.265 115 H C -0.423 175.077 175.328 0.287 0.000 0.969 115 H CA 0.200 56.353 56.048 0.175 0.000 1.155 115 H CB -0.022 29.837 29.762 0.162 0.000 1.394 115 H HN 0.321 nan 8.280 nan 0.000 0.570 116 Y N 1.715 122.070 120.300 0.092 0.000 2.531 116 Y HA 0.015 4.568 4.550 0.006 0.000 0.347 116 Y C 0.814 176.735 175.900 0.035 0.000 1.024 116 Y CA -1.037 57.098 58.100 0.057 0.000 1.306 116 Y CB 0.044 38.526 38.460 0.037 0.000 1.149 116 Y HN 0.007 nan 8.280 nan 0.000 0.527 117 D N 2.572 123.064 120.400 0.153 0.000 2.845 117 D HA 0.409 5.052 4.640 0.006 0.000 0.235 117 D C 0.325 176.666 176.300 0.069 0.000 1.158 117 D CA 0.497 54.554 54.000 0.095 0.000 0.990 117 D CB -0.510 40.334 40.800 0.073 0.000 1.094 117 D HN 0.785 nan 8.370 nan 0.000 0.486 118 G N 0.464 109.312 108.800 0.079 0.000 2.345 118 G HA2 0.042 4.006 3.960 0.006 0.000 0.310 118 G HA3 0.042 4.006 3.960 0.006 0.000 0.310 118 G C -0.840 174.101 174.900 0.069 0.000 1.476 118 G CA -1.062 44.070 45.100 0.053 0.000 0.978 118 G HN 0.228 nan 8.290 nan 0.000 0.656 119 L N 0.512 121.758 121.223 0.039 0.000 2.503 119 L HA 0.354 4.698 4.340 0.006 0.000 0.287 119 L C 1.205 178.116 176.870 0.068 0.000 1.252 119 L CA 0.094 54.959 54.840 0.040 0.000 0.835 119 L CB 0.292 42.360 42.059 0.014 0.000 1.099 119 L HN 0.634 nan 8.230 nan 0.000 0.516 120 I N -1.521 119.101 120.570 0.087 0.000 2.982 120 I HA 0.600 4.773 4.170 0.006 0.000 0.312 120 I C -0.700 175.431 176.117 0.023 0.000 1.041 120 I CA -0.864 60.487 61.300 0.084 0.000 1.053 120 I CB 2.019 40.128 38.000 0.182 0.000 1.248 120 I HN 0.395 nan 8.210 nan 0.000 0.471 121 E N 1.599 121.799 120.200 0.000 0.000 2.292 121 E HA 0.600 4.953 4.350 0.006 0.000 0.272 121 E C -0.030 176.536 176.600 -0.056 0.000 0.881 121 E CA 0.008 56.374 56.400 -0.055 0.000 0.754 121 E CB 1.999 31.657 29.700 -0.070 0.000 1.201 121 E HN 1.085 nan 8.360 nan 0.000 0.425 122 G N 1.790 110.531 108.800 -0.099 0.000 2.578 122 G HA2 -0.232 3.732 3.960 0.006 0.000 0.232 122 G HA3 -0.232 3.732 3.960 0.006 0.000 0.232 122 G C -0.231 174.625 174.900 -0.074 0.000 1.176 122 G CA 0.129 45.186 45.100 -0.072 0.000 0.968 122 G HN 0.930 nan 8.290 nan 0.000 0.583 123 T N -1.705 112.836 114.554 -0.021 0.000 4.314 123 T HA 0.565 4.919 4.350 0.006 0.000 0.234 123 T C -2.606 172.134 174.700 0.065 0.000 0.954 123 T CA 0.361 62.461 62.100 -0.000 0.000 1.329 123 T CB 1.937 70.841 68.868 0.060 0.000 0.883 123 T HN 0.700 nan 8.240 nan 0.000 0.577 124 P HA 0.193 nan 4.420 nan 0.000 0.272 124 P C -0.092 177.250 177.300 0.071 0.000 1.230 124 P CA -0.189 62.946 63.100 0.059 0.000 0.788 124 P CB 0.830 32.569 31.700 0.064 0.000 0.949 125 Q N 0.817 120.646 119.800 0.048 0.000 2.364 125 Q HA 0.383 4.726 4.340 0.006 0.000 0.267 125 Q C 0.220 176.267 176.000 0.079 0.000 0.999 125 Q CA -0.106 55.718 55.803 0.035 0.000 0.886 125 Q CB 0.151 28.878 28.738 -0.019 0.000 1.243 125 Q HN 0.616 nan 8.270 nan 0.000 0.415 126 G N 1.300 110.163 108.800 0.104 0.000 2.425 126 G HA2 0.566 4.530 3.960 0.006 0.000 0.302 126 G HA3 0.566 4.530 3.960 0.006 0.000 0.302 126 G C -0.945 174.036 174.900 0.135 0.000 1.159 126 G CA -0.053 45.119 45.100 0.120 0.000 0.865 126 G HN 0.882 nan 8.290 nan 0.000 0.515 127 I N 0.308 120.943 120.570 0.109 0.000 2.371 127 I HA 0.707 4.880 4.170 0.006 0.000 0.282 127 I C 1.361 177.524 176.117 0.076 0.000 1.031 127 I CA -0.031 61.331 61.300 0.103 0.000 1.180 127 I CB 0.260 38.313 38.000 0.089 0.000 1.336 127 I HN 1.978 nan 8.210 nan 0.000 0.467 128 G N 3.265 112.115 108.800 0.084 0.000 2.143 128 G HA2 0.355 4.319 3.960 0.006 0.000 0.249 128 G HA3 0.355 4.319 3.960 0.006 0.000 0.249 128 G C 1.023 175.947 174.900 0.039 0.000 0.981 128 G CA 0.457 45.586 45.100 0.049 0.000 0.665 128 G HN 3.036 nan 8.290 nan 0.000 0.528 129 G N -2.625 106.218 108.800 0.071 0.000 2.315 129 G HA2 0.541 4.505 3.960 0.006 0.000 0.294 129 G HA3 0.541 4.505 3.960 0.006 0.000 0.294 129 G C -1.203 173.755 174.900 0.098 0.000 1.300 129 G CA 0.144 45.284 45.100 0.066 0.000 0.843 129 G HN 1.153 nan 8.290 nan 0.000 0.527 130 V N 1.856 121.832 119.914 0.103 0.000 2.407 130 V HA 0.453 4.576 4.120 0.006 0.000 0.278 130 V C -1.989 174.153 176.094 0.081 0.000 1.037 130 V CA -1.340 61.039 62.300 0.131 0.000 0.900 130 V CB 1.807 33.742 31.823 0.187 0.000 0.983 130 V HN 0.497 nan 8.190 nan 0.000 0.459 131 P HA 0.120 nan 4.420 nan 0.000 0.264 131 P C -0.497 176.830 177.300 0.046 0.000 1.229 131 P CA -0.025 63.103 63.100 0.047 0.000 0.780 131 P CB -0.028 31.717 31.700 0.074 0.000 0.808 132 I N 4.492 125.094 120.570 0.053 0.000 2.379 132 I HA 0.213 4.386 4.170 0.006 0.000 0.290 132 I C 0.946 177.118 176.117 0.091 0.000 1.063 132 I CA 0.358 61.720 61.300 0.103 0.000 1.351 132 I CB -0.234 37.871 38.000 0.175 0.000 1.410 132 I HN 0.326 nan 8.210 nan 0.000 0.505 133 T N 2.733 117.325 114.554 0.064 0.000 2.923 133 T HA 0.375 4.729 4.350 0.006 0.000 0.311 133 T C 0.878 175.595 174.700 0.029 0.000 1.183 133 T CA -0.930 61.187 62.100 0.030 0.000 1.020 133 T CB 2.272 71.120 68.868 -0.034 0.000 1.165 133 T HN 0.620 nan 8.240 nan 0.000 0.482 134 R N 1.050 121.565 120.500 0.025 0.000 2.154 134 R HA -0.207 4.136 4.340 0.006 0.000 0.248 134 R C 2.023 178.352 176.300 0.047 0.000 1.155 134 R CA 2.116 58.248 56.100 0.053 0.000 0.979 134 R CB -0.265 30.040 30.300 0.009 0.000 0.869 134 R HN 0.795 nan 8.270 nan 0.000 0.452 135 K N 0.308 120.662 120.400 -0.077 0.000 1.984 135 K HA -0.215 4.108 4.320 0.006 0.000 0.209 135 K C 2.306 178.864 176.600 -0.071 0.000 1.046 135 K CA 1.742 58.020 56.287 -0.015 0.000 0.934 135 K CB -0.247 32.190 32.500 -0.105 0.000 0.717 135 K HN 0.167 nan 8.250 nan 0.000 0.438 136 Q N 0.942 120.588 119.800 -0.257 0.000 2.084 136 Q HA -0.138 4.205 4.340 0.006 0.000 0.202 136 Q C 1.994 177.912 176.000 -0.137 0.000 0.978 136 Q CA 1.969 57.465 55.803 -0.511 0.000 0.844 136 Q CB -0.274 28.113 28.738 -0.586 0.000 0.898 136 Q HN 0.281 nan 8.270 nan 0.000 0.426 137 V N 1.750 121.682 119.914 0.031 0.000 2.287 137 V HA -0.288 3.835 4.120 0.006 0.000 0.248 137 V C 2.743 178.890 176.094 0.088 0.000 1.053 137 V CA 2.358 64.754 62.300 0.160 0.000 1.027 137 V CB -0.709 31.247 31.823 0.222 0.000 0.646 137 V HN 0.363 nan 8.190 nan 0.000 0.447 138 R N -0.187 120.399 120.500 0.142 0.000 2.083 138 R HA -0.170 4.174 4.340 0.006 0.000 0.237 138 R C 2.489 178.783 176.300 -0.010 0.000 1.137 138 R CA 1.575 57.813 56.100 0.229 0.000 0.951 138 R CB -0.730 29.794 30.300 0.375 0.000 0.851 138 R HN 0.551 nan 8.270 nan 0.000 0.434 139 A N 1.348 124.160 122.820 -0.013 0.000 1.859 139 A HA -0.277 4.047 4.320 0.006 0.000 0.217 139 A C 2.110 179.658 177.584 -0.060 0.000 1.198 139 A CA 1.653 53.679 52.037 -0.019 0.000 0.629 139 A CB -0.644 18.477 19.000 0.201 0.000 0.830 139 A HN 0.392 nan 8.150 nan 0.000 0.446 140 Q N -1.664 118.120 119.800 -0.027 0.000 2.084 140 Q HA -0.194 4.150 4.340 0.006 0.000 0.202 140 Q C 2.372 178.179 176.000 -0.321 0.000 0.978 140 Q CA 1.532 57.260 55.803 -0.125 0.000 0.844 140 Q CB -0.196 28.486 28.738 -0.094 0.000 0.898 140 Q HN 0.507 nan 8.270 nan 0.000 0.426 141 R N 1.597 121.867 120.500 -0.383 0.000 2.115 141 R HA -0.084 4.259 4.340 0.006 0.000 0.230 141 R C 1.872 178.108 176.300 -0.107 0.000 1.111 141 R CA 1.455 57.373 56.100 -0.303 0.000 0.976 141 R CB -0.168 30.062 30.300 -0.117 0.000 0.870 141 R HN 0.100 nan 8.270 nan 0.000 0.445 142 K N -0.613 119.635 120.400 -0.253 0.000 2.026 142 K HA -0.081 4.243 4.320 0.006 0.000 0.208 142 K C 1.819 178.299 176.600 -0.200 0.000 1.048 142 K CA 1.501 57.523 56.287 -0.442 0.000 0.929 142 K CB -0.233 31.717 32.500 -0.916 0.000 0.713 142 K HN 0.207 nan 8.250 nan 0.000 0.439 143 A N 1.239 123.962 122.820 -0.163 0.000 1.902 143 A HA -0.116 4.207 4.320 0.006 0.000 0.217 143 A C 2.126 179.676 177.584 -0.056 0.000 1.181 143 A CA 1.204 53.190 52.037 -0.085 0.000 0.623 143 A CB -0.627 18.341 19.000 -0.054 0.000 0.818 143 A HN 0.333 nan 8.150 nan 0.000 0.443 144 L N -0.434 120.741 121.223 -0.081 0.000 2.127 144 L HA -0.222 4.122 4.340 0.006 0.000 0.211 144 L C 2.048 178.896 176.870 -0.036 0.000 1.089 144 L CA 1.358 56.165 54.840 -0.055 0.000 0.757 144 L CB -0.527 41.475 42.059 -0.094 0.000 0.899 144 L HN 0.318 nan 8.230 nan 0.000 0.434 145 D N -0.119 120.262 120.400 -0.032 0.000 2.104 145 D HA -0.174 4.469 4.640 0.006 0.000 0.194 145 D C 2.281 178.575 176.300 -0.009 0.000 0.994 145 D CA 1.232 55.229 54.000 -0.004 0.000 0.830 145 D CB -0.187 40.639 40.800 0.044 0.000 0.959 145 D HN 0.203 nan 8.370 nan 0.000 0.452 146 L N 0.423 121.638 121.223 -0.013 0.000 1.948 146 L HA -0.153 4.191 4.340 0.006 0.000 0.212 146 L C 2.593 179.465 176.870 0.004 0.000 1.074 146 L CA 0.937 55.775 54.840 -0.003 0.000 0.753 146 L CB -0.520 41.537 42.059 -0.003 0.000 0.888 146 L HN 0.022 nan 8.230 nan 0.000 0.432 147 I N 0.215 120.795 120.570 0.016 0.000 2.185 147 I HA -0.355 3.819 4.170 0.006 0.000 0.246 147 I C 2.646 178.758 176.117 -0.007 0.000 1.088 147 I CA 2.073 63.398 61.300 0.041 0.000 1.347 147 I CB -0.633 37.405 38.000 0.064 0.000 1.041 147 I HN 0.495 nan 8.210 nan 0.000 0.415 148 E N 1.175 121.359 120.200 -0.027 0.000 2.208 148 E HA -0.242 4.112 4.350 0.006 0.000 0.193 148 E C 1.970 178.526 176.600 -0.073 0.000 0.988 148 E CA 1.116 57.481 56.400 -0.058 0.000 0.828 148 E CB -0.253 29.413 29.700 -0.057 0.000 0.763 148 E HN 0.553 nan 8.360 nan 0.000 0.478 149 E N 0.850 121.019 120.200 -0.052 0.000 2.112 149 E HA -0.189 4.164 4.350 0.006 0.000 0.190 149 E C 2.029 178.589 176.600 -0.066 0.000 0.979 149 E CA 0.863 57.232 56.400 -0.052 0.000 0.814 149 E CB 0.102 29.784 29.700 -0.029 0.000 0.762 149 E HN 0.419 nan 8.360 nan 0.000 0.460 150 E N 0.207 120.374 120.200 -0.054 0.000 2.038 150 E HA -0.204 4.150 4.350 0.006 0.000 0.195 150 E C 2.122 178.605 176.600 -0.195 0.000 1.000 150 E CA 1.946 58.309 56.400 -0.062 0.000 0.803 150 E CB -0.014 29.706 29.700 0.034 0.000 0.750 150 E HN 0.243 nan 8.360 nan 0.000 0.448 151 V N -1.996 117.753 119.914 -0.275 0.000 3.129 151 V HA 0.269 4.392 4.120 0.006 0.000 0.259 151 V C 1.315 177.247 176.094 -0.270 0.000 1.116 151 V CA 1.199 63.246 62.300 -0.422 0.000 1.127 151 V CB -0.113 31.418 31.823 -0.486 0.000 0.742 151 V HN 0.480 nan 8.190 nan 0.000 0.474 152 G N 0.474 109.167 108.800 -0.178 0.000 2.142 152 G HA2 -0.207 3.757 3.960 0.006 0.000 0.225 152 G HA3 -0.207 3.757 3.960 0.006 0.000 0.225 152 G C 0.074 174.904 174.900 -0.116 0.000 1.015 152 G CA 0.307 45.327 45.100 -0.133 0.000 0.716 152 G HN 1.050 nan 8.290 nan 0.000 0.508 153 R N -0.433 119.997 120.500 -0.118 0.000 2.604 153 R HA 0.457 4.801 4.340 0.006 0.000 0.261 153 R C -3.218 173.014 176.300 -0.113 0.000 1.080 153 R CA -1.406 54.629 56.100 -0.107 0.000 0.917 153 R CB 1.428 31.665 30.300 -0.106 0.000 1.252 153 R HN -0.007 nan 8.270 nan 0.000 0.456 154 P HA 0.193 nan 4.420 nan 0.000 0.268 154 P C -0.470 176.731 177.300 -0.167 0.000 1.204 154 P CA 0.051 63.067 63.100 -0.141 0.000 0.768 154 P CB 0.438 32.037 31.700 -0.169 0.000 0.842 155 I N 3.246 123.738 120.570 -0.131 0.000 2.339 155 I HA 0.188 4.361 4.170 0.006 0.000 0.290 155 I C 0.573 176.619 176.117 -0.119 0.000 0.994 155 I CA -0.560 60.673 61.300 -0.111 0.000 1.191 155 I CB 0.682 38.663 38.000 -0.031 0.000 1.343 155 I HN 0.186 nan 8.210 nan 0.000 0.458 156 N N 5.752 124.321 118.700 -0.217 0.000 2.470 156 N HA 0.062 4.806 4.740 0.006 0.000 0.268 156 N C -0.907 174.715 175.510 0.187 0.000 1.136 156 N CA -0.088 52.839 53.050 -0.206 0.000 0.961 156 N CB 1.106 39.105 38.487 -0.814 0.000 1.067 156 N HN 0.406 nan 8.380 nan 0.000 0.468 157 Y N 1.948 122.280 120.300 0.053 0.000 2.334 157 Y HA 0.273 4.827 4.550 0.006 0.000 0.328 157 Y C -0.480 175.509 175.900 0.148 0.000 1.130 157 Y CA -0.575 57.580 58.100 0.092 0.000 1.163 157 Y CB 0.646 39.111 38.460 0.008 0.000 1.207 157 Y HN 0.560 nan 8.280 nan 0.000 0.471 158 H N 2.549 121.330 119.070 -0.482 0.000 2.954 158 H HA 0.603 5.163 4.556 0.006 0.000 0.361 158 H C -1.247 173.778 175.328 -0.505 0.000 1.122 158 H CA -0.267 55.586 56.048 -0.327 0.000 1.217 158 H CB 1.694 31.461 29.762 0.008 0.000 1.776 158 H HN 0.705 nan 8.280 nan 0.000 0.533 159 S N 2.001 117.526 115.700 -0.291 0.000 2.843 159 S HA 0.400 4.874 4.470 0.006 0.000 0.301 159 S C -1.904 172.693 174.600 -0.004 0.000 1.206 159 S CA -0.609 57.568 58.200 -0.039 0.000 0.875 159 S CB 0.602 63.806 63.200 0.006 0.000 1.248 159 S HN 0.495 nan 8.310 nan 0.000 0.555 160 Y N 0.657 121.072 120.300 0.191 0.000 2.341 160 Y HA 0.468 5.022 4.550 0.006 0.000 0.337 160 Y C 0.757 176.685 175.900 0.046 0.000 1.014 160 Y CA -0.577 57.576 58.100 0.089 0.000 1.111 160 Y CB 1.431 39.832 38.460 -0.099 0.000 1.194 160 Y HN 0.281 nan 8.280 nan 0.000 0.462 161 V N 1.756 121.729 119.914 0.098 0.000 3.596 161 V HA 0.003 4.127 4.120 0.006 0.000 0.289 161 V C 0.599 176.658 176.094 -0.058 0.000 1.336 161 V CA 0.264 62.510 62.300 -0.089 0.000 1.137 161 V CB -0.613 31.152 31.823 -0.096 0.000 0.966 161 V HN 0.729 nan 8.190 nan 0.000 0.428 162 S N 0.161 115.860 115.700 -0.002 0.000 2.633 162 S HA 0.618 5.091 4.470 0.006 0.000 0.257 162 S C 0.677 175.266 174.600 -0.018 0.000 1.265 162 S CA 0.499 58.696 58.200 -0.004 0.000 0.980 162 S CB 0.872 64.052 63.200 -0.033 0.000 1.017 162 S HN 0.931 nan 8.310 nan 0.000 0.577 163 G N -1.017 107.789 108.800 0.010 0.000 2.483 163 G HA2 -0.138 3.826 3.960 0.006 0.000 0.521 163 G HA3 -0.138 3.826 3.960 0.006 0.000 0.521 163 G C 0.270 175.159 174.900 -0.018 0.000 1.278 163 G CA -0.302 44.779 45.100 -0.031 0.000 0.965 163 G HN 1.481 nan 8.290 nan 0.000 0.504 164 V N -3.065 116.843 119.914 -0.010 0.000 3.623 164 V HA 0.627 4.750 4.120 0.006 0.000 0.271 164 V C 1.456 177.567 176.094 0.027 0.000 1.248 164 V CA 1.806 64.118 62.300 0.019 0.000 1.156 164 V CB 0.123 31.973 31.823 0.046 0.000 0.870 164 V HN 2.376 nan 8.190 nan 0.000 0.453 165 A N 0.376 123.203 122.820 0.011 0.000 3.214 165 A HA 0.744 5.067 4.320 0.006 0.000 0.304 165 A C 1.401 178.962 177.584 -0.038 0.000 0.969 165 A CA 0.295 52.335 52.037 0.004 0.000 0.986 165 A CB 0.014 19.026 19.000 0.021 0.000 1.073 165 A HN 0.450 nan 8.150 nan 0.000 0.487 166 G N 1.291 110.069 108.800 -0.037 0.000 2.424 166 G HA2 -0.026 3.938 3.960 0.006 0.000 0.214 166 G HA3 -0.026 3.938 3.960 0.006 0.000 0.214 166 G C -0.388 174.462 174.900 -0.084 0.000 1.202 166 G CA 1.033 46.091 45.100 -0.070 0.000 0.793 166 G HN 0.452 nan 8.290 nan 0.000 0.534 167 P HA -0.061 nan 4.420 nan 0.000 0.214 167 P C 0.956 178.229 177.300 -0.045 0.000 1.163 167 P CA 1.578 64.660 63.100 -0.030 0.000 0.889 167 P CB -0.090 31.617 31.700 0.012 0.000 0.790 168 D N -0.391 119.988 120.400 -0.035 0.000 2.321 168 D HA -0.221 4.423 4.640 0.006 0.000 0.194 168 D C 1.843 178.085 176.300 -0.096 0.000 1.013 168 D CA 1.468 55.444 54.000 -0.042 0.000 0.863 168 D CB -1.057 39.728 40.800 -0.025 0.000 1.011 168 D HN 0.126 nan 8.370 nan 0.000 0.457 169 I N 0.421 120.888 120.570 -0.172 0.000 2.264 169 I HA -0.290 3.884 4.170 0.006 0.000 0.248 169 I C 2.343 178.141 176.117 -0.533 0.000 1.111 169 I CA 1.160 62.237 61.300 -0.372 0.000 1.382 169 I CB -0.213 37.502 38.000 -0.475 0.000 1.060 169 I HN 0.044 nan 8.210 nan 0.000 0.418 170 A N 0.115 122.739 122.820 -0.327 0.000 1.898 170 A HA -0.115 4.209 4.320 0.006 0.000 0.216 170 A C 2.432 180.003 177.584 -0.022 0.000 1.181 170 A CA 1.416 53.340 52.037 -0.188 0.000 0.620 170 A CB -0.881 18.064 19.000 -0.092 0.000 0.819 170 A HN 0.208 nan 8.150 nan 0.000 0.442 171 V N 0.169 120.063 119.914 -0.033 0.000 2.252 171 V HA -0.339 3.785 4.120 0.006 0.000 0.249 171 V C 2.610 178.742 176.094 0.063 0.000 1.056 171 V CA 2.310 64.610 62.300 -0.000 0.000 1.022 171 V CB -0.672 31.138 31.823 -0.020 0.000 0.641 171 V HN 0.718 nan 8.190 nan 0.000 0.445 172 M N -1.350 118.291 119.600 0.068 0.000 2.460 172 M HA -0.136 4.348 4.480 0.006 0.000 0.263 172 M C 1.925 178.428 176.300 0.339 0.000 1.071 172 M CA 1.948 57.341 55.300 0.156 0.000 1.096 172 M CB -0.397 32.276 32.600 0.122 0.000 1.408 172 M HN 0.329 nan 8.290 nan 0.000 0.463 173 F N 0.335 120.327 119.950 0.071 0.000 2.219 173 F HA 0.150 4.681 4.527 0.006 0.000 0.294 173 F C 2.677 178.549 175.800 0.120 0.000 1.086 173 F CA 0.951 59.004 58.000 0.088 0.000 1.330 173 F CB -1.317 37.714 39.000 0.052 0.000 1.047 173 F HN 0.201 nan 8.300 nan 0.000 0.495 174 A N -0.385 122.641 122.820 0.345 0.000 1.968 174 A HA -0.131 4.192 4.320 0.006 0.000 0.217 174 A C 2.115 179.897 177.584 0.330 0.000 1.169 174 A CA 1.369 53.617 52.037 0.352 0.000 0.638 174 A CB -0.613 18.602 19.000 0.359 0.000 0.812 174 A HN 0.382 nan 8.150 nan 0.000 0.446 175 E N -0.113 120.217 120.200 0.218 0.000 2.015 175 E HA -0.137 4.216 4.350 0.006 0.000 0.191 175 E C 1.306 177.995 176.600 0.148 0.000 0.991 175 E CA 1.141 57.638 56.400 0.162 0.000 0.802 175 E CB -0.088 29.679 29.700 0.111 0.000 0.759 175 E HN 0.424 nan 8.360 nan 0.000 0.447 176 E N -0.198 120.098 120.200 0.160 0.000 2.512 176 E HA 0.031 4.384 4.350 0.006 0.000 0.195 176 E C 0.497 177.158 176.600 0.103 0.000 1.083 176 E CA 0.527 57.002 56.400 0.125 0.000 0.873 176 E CB 0.220 30.023 29.700 0.172 0.000 0.897 176 E HN 0.392 nan 8.360 nan 0.000 0.514 177 G N 1.324 110.192 108.800 0.114 0.000 2.333 177 G HA2 -0.276 3.688 3.960 0.006 0.000 0.296 177 G HA3 -0.276 3.688 3.960 0.006 0.000 0.296 177 G C 0.264 175.216 174.900 0.087 0.000 1.059 177 G CA 0.318 45.468 45.100 0.083 0.000 1.050 177 G HN 0.154 nan 8.290 nan 0.000 0.508 178 V N 0.114 120.066 119.914 0.065 0.000 2.488 178 V HA 0.172 4.295 4.120 0.006 0.000 0.277 178 V C 1.383 177.486 176.094 0.016 0.000 1.046 178 V CA 0.343 62.641 62.300 -0.004 0.000 0.986 178 V CB 1.257 32.839 31.823 -0.402 0.000 0.989 178 V HN 0.508 nan 8.190 nan 0.000 0.475 179 N N 2.630 121.369 118.700 0.065 0.000 2.446 179 N HA 0.237 4.981 4.740 0.006 0.000 0.179 179 N C 0.559 176.191 175.510 0.203 0.000 1.054 179 N CA 0.711 53.829 53.050 0.113 0.000 0.905 179 N CB 0.309 38.835 38.487 0.065 0.000 0.973 179 N HN 0.820 nan 8.380 nan 0.000 0.448 180 G N -1.403 107.439 108.800 0.070 0.000 2.698 180 G HA2 0.785 4.749 3.960 0.006 0.000 0.293 180 G HA3 0.785 4.749 3.960 0.006 0.000 0.293 180 G C -1.887 172.595 174.900 -0.696 0.000 1.437 180 G CA -0.236 44.789 45.100 -0.125 0.000 0.852 180 G HN 0.231 nan 8.290 nan 0.000 0.499 181 A N 0.056 122.460 122.820 -0.692 0.000 2.610 181 A HA 0.739 5.063 4.320 0.006 0.000 0.291 181 A C -1.541 175.906 177.584 -0.228 0.000 1.086 181 A CA -0.802 50.829 52.037 -0.676 0.000 0.677 181 A CB 0.975 19.907 19.000 -0.113 0.000 1.278 181 A HN 0.853 nan 8.150 nan 0.000 0.414 182 H N 1.206 120.164 119.070 -0.187 0.000 2.646 182 H HA 0.592 5.151 4.556 0.006 0.000 0.325 182 H C -0.219 175.082 175.328 -0.045 0.000 1.075 182 H CA 0.814 56.819 56.048 -0.073 0.000 1.421 182 H CB 0.953 30.653 29.762 -0.104 0.000 1.461 182 H HN 0.432 nan 8.280 nan 0.000 0.525 183 Q N 2.809 122.637 119.800 0.047 0.000 2.296 183 Q HA 0.205 4.549 4.340 0.006 0.000 0.254 183 Q C -1.799 174.220 176.000 0.031 0.000 0.936 183 Q CA -0.580 55.242 55.803 0.032 0.000 0.834 183 Q CB 1.887 30.625 28.738 -0.000 0.000 1.340 183 Q HN 0.732 nan 8.270 nan 0.000 0.428 184 D N 5.314 125.737 120.400 0.038 0.000 2.365 184 D HA 0.245 4.889 4.640 0.006 0.000 0.235 184 D C -1.948 174.319 176.300 -0.054 0.000 1.368 184 D CA -1.390 52.620 54.000 0.017 0.000 1.001 184 D CB 1.852 42.715 40.800 0.105 0.000 1.364 184 D HN 0.170 nan 8.370 nan 0.000 0.577 185 P HA -0.178 nan 4.420 nan 0.000 0.220 185 P C 0.990 178.071 177.300 -0.366 0.000 1.144 185 P CA 1.070 63.856 63.100 -0.523 0.000 0.800 185 P CB 0.500 31.375 31.700 -1.376 0.000 0.772 186 Q N -1.648 118.016 119.800 -0.228 0.000 2.224 186 Q HA -0.174 4.169 4.340 0.006 0.000 0.203 186 Q C 2.203 178.206 176.000 0.006 0.000 0.970 186 Q CA 0.948 56.725 55.803 -0.043 0.000 0.865 186 Q CB -0.672 28.039 28.738 -0.045 0.000 0.922 186 Q HN 0.296 nan 8.270 nan 0.000 0.445 187 Y N 2.403 122.725 120.300 0.037 0.000 2.097 187 Y HA -0.262 4.291 4.550 0.006 0.000 0.282 187 Y C 1.897 177.848 175.900 0.084 0.000 1.152 187 Y CA 1.680 59.900 58.100 0.200 0.000 1.136 187 Y CB -0.151 38.417 38.460 0.180 0.000 0.975 187 Y HN 0.107 nan 8.280 nan 0.000 0.498 188 N N -0.131 118.652 118.700 0.138 0.000 2.149 188 N HA -0.184 4.559 4.740 0.006 0.000 0.188 188 N C 1.863 177.326 175.510 -0.077 0.000 1.019 188 N CA 1.753 54.822 53.050 0.031 0.000 0.857 188 N CB -0.486 38.025 38.487 0.039 0.000 0.997 188 N HN 0.326 nan 8.380 nan 0.000 0.426 189 V N 1.708 121.576 119.914 -0.076 0.000 2.283 189 V HA -0.083 4.041 4.120 0.006 0.000 0.239 189 V C 2.510 178.472 176.094 -0.219 0.000 1.035 189 V CA 0.906 63.161 62.300 -0.076 0.000 1.018 189 V CB -0.562 31.291 31.823 0.050 0.000 0.658 189 V HN 0.133 nan 8.190 nan 0.000 0.459 190 L N -0.923 120.058 121.223 -0.402 0.000 1.970 190 L HA -0.230 4.114 4.340 0.006 0.000 0.212 190 L C 2.505 178.976 176.870 -0.665 0.000 1.071 190 L CA 2.142 56.572 54.840 -0.683 0.000 0.751 190 L CB -0.706 40.613 42.059 -1.234 0.000 0.889 190 L HN 0.386 nan 8.230 nan 0.000 0.432 191 Y N -2.086 118.027 120.300 -0.312 0.000 2.509 191 Y HA 0.132 4.686 4.550 0.006 0.000 0.270 191 Y C 2.290 177.998 175.900 -0.320 0.000 1.103 191 Y CA -0.033 57.845 58.100 -0.370 0.000 1.278 191 Y CB 0.060 38.161 38.460 -0.599 0.000 1.087 191 Y HN -0.049 nan 8.280 nan 0.000 0.542 192 R N 0.228 120.597 120.500 -0.218 0.000 2.437 192 R HA 0.122 4.466 4.340 0.006 0.000 0.257 192 R C 0.094 176.395 176.300 0.002 0.000 0.927 192 R CA -0.062 55.981 56.100 -0.096 0.000 1.078 192 R CB -0.550 29.656 30.300 -0.157 0.000 1.161 192 R HN 0.206 nan 8.270 nan 0.000 0.529 193 N N 0.930 119.604 118.700 -0.043 0.000 2.708 193 N HA -0.211 4.533 4.740 0.006 0.000 0.249 193 N C -0.571 174.950 175.510 0.018 0.000 1.097 193 N CA 0.425 53.469 53.050 -0.011 0.000 0.710 193 N CB -1.328 37.171 38.487 0.020 0.000 1.032 193 N HN 0.285 nan 8.380 nan 0.000 0.551 194 I N 0.407 120.974 120.570 -0.005 0.000 2.720 194 I HA 0.021 4.195 4.170 0.006 0.000 0.287 194 I C 1.382 177.503 176.117 0.007 0.000 1.090 194 I CA -0.451 60.855 61.300 0.010 0.000 1.384 194 I CB 0.491 38.487 38.000 -0.006 0.000 1.420 194 I HN 0.233 nan 8.210 nan 0.000 0.575 195 N N 5.503 124.208 118.700 0.008 0.000 2.454 195 N HA -0.016 4.727 4.740 0.006 0.000 0.260 195 N C 0.995 176.515 175.510 0.016 0.000 1.218 195 N CA -0.209 52.832 53.050 -0.015 0.000 0.904 195 N CB 0.923 39.392 38.487 -0.031 0.000 1.065 195 N HN 0.682 nan 8.380 nan 0.000 0.462 196 M N 4.288 123.880 119.600 -0.012 0.000 2.117 196 M HA -0.140 4.344 4.480 0.006 0.000 0.262 196 M C 1.341 177.758 176.300 0.194 0.000 1.065 196 M CA 1.551 56.926 55.300 0.125 0.000 1.114 196 M CB -0.299 32.326 32.600 0.041 0.000 1.361 196 M HN 0.487 nan 8.290 nan 0.000 0.408 197 I N 0.406 120.920 120.570 -0.094 0.000 2.163 197 I HA -0.213 3.961 4.170 0.006 0.000 0.240 197 I C 2.828 179.021 176.117 0.128 0.000 1.081 197 I CA 1.553 62.856 61.300 0.006 0.000 1.353 197 I CB -0.783 37.119 38.000 -0.162 0.000 1.054 197 I HN 0.340 nan 8.210 nan 0.000 0.407 198 R N 1.584 122.118 120.500 0.056 0.000 2.115 198 R HA -0.230 4.114 4.340 0.006 0.000 0.239 198 R C 2.473 178.837 176.300 0.107 0.000 1.133 198 R CA 2.513 58.655 56.100 0.069 0.000 0.935 198 R CB -1.182 29.140 30.300 0.036 0.000 0.853 198 R HN 0.293 nan 8.270 nan 0.000 0.433 199 S N -1.000 114.768 115.700 0.113 0.000 2.369 199 S HA -0.182 4.291 4.470 0.006 0.000 0.225 199 S C 1.880 176.509 174.600 0.048 0.000 1.043 199 S CA 1.729 59.973 58.200 0.073 0.000 1.074 199 S CB -0.548 62.697 63.200 0.076 0.000 0.962 199 S HN 0.434 nan 8.310 nan 0.000 0.433 200 F N 1.091 121.080 119.950 0.065 0.000 2.216 200 F HA 0.076 4.606 4.527 0.006 0.000 0.300 200 F C 2.041 177.904 175.800 0.105 0.000 1.085 200 F CA 0.943 58.965 58.000 0.036 0.000 1.326 200 F CB -0.333 38.667 39.000 0.001 0.000 1.027 200 F HN 0.240 nan 8.300 nan 0.000 0.497 201 I N -0.344 120.381 120.570 0.257 0.000 2.133 201 I HA -0.287 3.887 4.170 0.006 0.000 0.238 201 I C 2.100 178.271 176.117 0.091 0.000 1.074 201 I CA 1.326 62.734 61.300 0.179 0.000 1.342 201 I CB -0.526 37.573 38.000 0.165 0.000 1.053 201 I HN -0.020 nan 8.210 nan 0.000 0.404 202 D N 1.144 121.588 120.400 0.073 0.000 2.172 202 D HA -0.239 4.405 4.640 0.006 0.000 0.196 202 D C 2.188 178.477 176.300 -0.018 0.000 0.999 202 D CA 1.769 55.787 54.000 0.030 0.000 0.856 202 D CB -0.187 40.629 40.800 0.027 0.000 0.934 202 D HN 0.420 nan 8.370 nan 0.000 0.453 203 A N 0.323 123.134 122.820 -0.016 0.000 1.969 203 A HA -0.165 4.159 4.320 0.006 0.000 0.218 203 A C 2.569 180.077 177.584 -0.127 0.000 1.169 203 A CA 1.093 53.110 52.037 -0.034 0.000 0.635 203 A CB -0.778 18.226 19.000 0.007 0.000 0.810 203 A HN 0.347 nan 8.150 nan 0.000 0.445 204 C N -1.029 118.136 119.300 -0.225 0.000 2.429 204 C HA -0.071 4.393 4.460 0.006 0.000 0.277 204 C C 2.675 177.348 174.990 -0.529 0.000 1.262 204 C CA 1.407 59.986 59.018 -0.730 0.000 1.733 204 C CB -0.927 26.111 27.740 -1.168 0.000 2.010 204 C HN 0.770 nan 8.230 nan 0.000 0.483 205 E N 1.572 121.637 120.200 -0.225 0.000 2.006 205 E HA -0.123 4.231 4.350 0.006 0.000 0.192 205 E C 2.251 178.810 176.600 -0.069 0.000 0.993 205 E CA 2.006 58.355 56.400 -0.086 0.000 0.808 205 E CB -0.368 29.318 29.700 -0.023 0.000 0.764 205 E HN 0.539 nan 8.360 nan 0.000 0.449 206 S N 0.901 116.562 115.700 -0.065 0.000 2.378 206 S HA -0.261 4.213 4.470 0.006 0.000 0.229 206 S C 1.839 176.411 174.600 -0.047 0.000 1.052 206 S CA 1.859 60.028 58.200 -0.052 0.000 1.084 206 S CB -0.464 62.702 63.200 -0.057 0.000 0.950 206 S HN 0.274 nan 8.310 nan 0.000 0.440 207 K N 0.479 120.825 120.400 -0.090 0.000 2.209 207 K HA -0.041 4.282 4.320 0.006 0.000 0.204 207 K C 2.239 178.807 176.600 -0.053 0.000 1.048 207 K CA 1.413 57.646 56.287 -0.090 0.000 0.940 207 K CB -0.407 31.986 32.500 -0.178 0.000 0.729 207 K HN 0.392 nan 8.250 nan 0.000 0.451 208 T N 1.840 116.366 114.554 -0.046 0.000 2.732 208 T HA -0.037 4.317 4.350 0.006 0.000 0.261 208 T C 1.962 176.723 174.700 0.101 0.000 1.040 208 T CA 0.855 62.982 62.100 0.044 0.000 1.145 208 T CB -0.187 68.734 68.868 0.088 0.000 0.866 208 T HN 0.108 nan 8.240 nan 0.000 0.427 209 I N 1.087 121.698 120.570 0.069 0.000 2.145 209 I HA -0.303 3.870 4.170 0.006 0.000 0.244 209 I C 2.606 178.845 176.117 0.204 0.000 1.075 209 I CA 1.723 63.081 61.300 0.097 0.000 1.332 209 I CB -0.481 37.541 38.000 0.036 0.000 1.033 209 I HN 0.257 nan 8.210 nan 0.000 0.410 210 M N 0.120 119.800 119.600 0.133 0.000 2.159 210 M HA -0.194 4.290 4.480 0.006 0.000 0.263 210 M C 2.460 178.836 176.300 0.127 0.000 1.063 210 M CA 1.993 57.370 55.300 0.128 0.000 1.110 210 M CB -0.404 32.231 32.600 0.059 0.000 1.374 210 M HN 0.346 nan 8.290 nan 0.000 0.411 211 A N -0.921 121.969 122.820 0.117 0.000 1.969 211 A HA -0.200 4.124 4.320 0.006 0.000 0.218 211 A C 1.815 179.481 177.584 0.137 0.000 1.169 211 A CA 1.042 53.136 52.037 0.095 0.000 0.635 211 A CB -1.053 17.993 19.000 0.076 0.000 0.810 211 A HN 0.774 nan 8.150 nan 0.000 0.445 212 W N 0.714 122.027 121.300 0.022 0.000 2.379 212 W HA -0.054 4.609 4.660 0.006 0.000 0.307 212 W C 2.076 178.612 176.519 0.028 0.000 1.200 212 W CA 1.935 59.297 57.345 0.028 0.000 1.297 212 W CB -0.090 29.390 29.460 0.034 0.000 1.140 212 W HN 0.274 nan 8.180 nan 0.000 0.507 213 A N 0.473 123.448 122.820 0.258 0.000 2.255 213 A HA -0.023 4.300 4.320 0.006 0.000 0.206 213 A C 0.686 178.219 177.584 -0.085 0.000 1.193 213 A CA 1.239 53.299 52.037 0.039 0.000 0.794 213 A CB -1.222 17.956 19.000 0.297 0.000 0.794 213 A HN 0.474 nan 8.150 nan 0.000 0.481 214 D N -1.388 118.959 120.400 -0.089 0.000 2.686 214 D HA -0.180 4.463 4.640 0.006 0.000 0.235 214 D C 0.019 176.315 176.300 -0.006 0.000 1.160 214 D CA 1.091 55.057 54.000 -0.057 0.000 0.645 214 D CB -1.532 39.208 40.800 -0.099 0.000 1.039 214 D HN 0.591 nan 8.370 nan 0.000 0.423 215 M N 0.052 119.659 119.600 0.010 0.000 2.359 215 M HA 0.591 5.074 4.480 0.006 0.000 0.322 215 M C 0.817 177.064 176.300 -0.088 0.000 1.166 215 M CA -0.551 54.750 55.300 0.002 0.000 1.067 215 M CB 1.563 34.173 32.600 0.017 0.000 1.523 215 M HN 0.158 nan 8.290 nan 0.000 0.467 216 A N 1.681 124.370 122.820 -0.218 0.000 2.327 216 A HA 0.397 4.721 4.320 0.006 0.000 0.283 216 A C -0.693 176.705 177.584 -0.310 0.000 1.127 216 A CA -0.477 51.289 52.037 -0.451 0.000 0.810 216 A CB 0.715 18.982 19.000 -1.223 0.000 1.066 216 A HN 0.802 nan 8.150 nan 0.000 0.492 217 Q N 1.906 121.570 119.800 -0.227 0.000 2.312 217 Q HA 0.632 4.976 4.340 0.006 0.000 0.263 217 Q C -1.536 174.357 176.000 -0.180 0.000 0.995 217 Q CA -0.434 55.273 55.803 -0.160 0.000 0.853 217 Q CB 1.083 29.773 28.738 -0.081 0.000 1.300 217 Q HN 0.725 nan 8.270 nan 0.000 0.448 218 I N 3.777 124.210 120.570 -0.227 0.000 2.404 218 I HA 0.213 4.387 4.170 0.006 0.000 0.293 218 I C -0.197 175.742 176.117 -0.297 0.000 0.992 218 I CA -0.901 60.194 61.300 -0.341 0.000 1.149 218 I CB 1.622 39.232 38.000 -0.649 0.000 1.315 218 I HN 0.756 nan 8.210 nan 0.000 0.446 224 A N 1.627 124.582 122.820 0.224 0.000 1.954 224 A HA -0.256 4.067 4.320 0.006 0.000 0.222 224 A C 2.083 179.742 177.584 0.126 0.000 1.199 224 A CA 2.400 54.455 52.037 0.030 0.000 0.657 224 A CB -0.975 17.728 19.000 -0.496 0.000 0.823 224 A HN 0.935 nan 8.150 nan 0.000 0.463 225 H N -0.627 118.462 119.070 0.032 0.000 2.568 225 H HA 0.033 4.593 4.556 0.006 0.000 0.281 225 H C 1.277 176.588 175.328 -0.028 0.000 1.028 225 H CA 0.994 57.063 56.048 0.036 0.000 1.199 225 H CB -0.844 28.960 29.762 0.071 0.000 1.352 225 H HN 0.526 nan 8.280 nan 0.000 0.605 226 N N 0.870 119.287 118.700 -0.471 0.000 2.354 226 N HA 0.004 4.748 4.740 0.006 0.000 0.179 226 N C 1.972 177.243 175.510 -0.397 0.000 1.021 226 N CA 1.025 53.711 53.050 -0.607 0.000 0.887 226 N CB 0.041 37.937 38.487 -0.984 0.000 0.974 226 N HN 0.515 nan 8.380 nan 0.000 0.437 227 A N 1.590 124.333 122.820 -0.128 0.000 1.972 227 A HA -0.136 4.188 4.320 0.006 0.000 0.219 227 A C 2.071 179.654 177.584 -0.001 0.000 1.169 227 A CA 0.994 53.063 52.037 0.053 0.000 0.635 227 A CB -0.440 18.634 19.000 0.123 0.000 0.810 227 A HN 0.290 nan 8.150 nan 0.000 0.446 228 N N 0.405 119.090 118.700 -0.025 0.000 2.000 228 N HA -0.233 4.511 4.740 0.006 0.000 0.198 228 N C 2.112 177.571 175.510 -0.086 0.000 1.057 228 N CA 1.760 54.791 53.050 -0.033 0.000 0.858 228 N CB -0.486 38.003 38.487 0.003 0.000 1.057 228 N HN 0.437 nan 8.380 nan 0.000 0.423 229 A N 0.874 123.621 122.820 -0.123 0.000 1.882 229 A HA -0.259 4.064 4.320 0.006 0.000 0.220 229 A C 2.319 179.840 177.584 -0.104 0.000 1.253 229 A CA 3.398 55.349 52.037 -0.142 0.000 0.664 229 A CB -1.581 17.318 19.000 -0.169 0.000 0.838 229 A HN 0.632 nan 8.150 nan 0.000 0.460 230 T N -2.206 112.305 114.554 -0.072 0.000 3.113 230 T HA 0.449 4.803 4.350 0.006 0.000 0.263 230 T C 0.761 175.467 174.700 0.011 0.000 1.143 230 T CA 0.621 62.718 62.100 -0.004 0.000 1.090 230 T CB -0.653 68.267 68.868 0.087 0.000 0.922 230 T HN 0.865 nan 8.240 nan 0.000 0.521 231 A N 1.607 124.421 122.820 -0.011 0.000 2.388 231 A HA 0.502 4.826 4.320 0.006 0.000 0.257 231 A C 1.528 179.084 177.584 -0.048 0.000 1.095 231 A CA -0.738 51.284 52.037 -0.025 0.000 0.791 231 A CB 0.478 19.452 19.000 -0.043 0.000 1.029 231 A HN 0.144 nan 8.150 nan 0.000 0.489 232 R N 0.821 121.286 120.500 -0.058 0.000 2.070 232 R HA -0.078 4.265 4.340 0.006 0.000 0.232 232 R C -0.187 176.062 176.300 -0.086 0.000 1.138 232 R CA 1.508 57.575 56.100 -0.055 0.000 0.936 232 R CB -0.383 29.881 30.300 -0.060 0.000 0.839 232 R HN 0.870 nan 8.270 nan 0.000 0.429 233 E N -0.851 119.191 120.200 -0.263 0.000 2.185 233 E HA 0.358 4.712 4.350 0.006 0.000 0.261 233 E C -0.137 176.148 176.600 -0.525 0.000 0.879 233 E CA -0.154 55.896 56.400 -0.582 0.000 0.756 233 E CB 1.888 30.747 29.700 -1.402 0.000 1.152 233 E HN 0.128 nan 8.360 nan 0.000 0.416 234 A N 3.304 126.104 122.820 -0.034 0.000 2.121 234 A HA -0.128 4.196 4.320 0.006 0.000 0.218 234 A C 1.464 179.084 177.584 0.059 0.000 1.154 234 A CA 0.841 52.928 52.037 0.083 0.000 0.679 234 A CB -0.681 18.495 19.000 0.293 0.000 0.795 234 A HN 0.911 nan 8.150 nan 0.000 0.458 235 W N -0.560 120.735 121.300 -0.009 0.000 2.905 235 W HA 0.226 4.889 4.660 0.006 0.000 0.251 235 W C 1.068 177.431 176.519 -0.261 0.000 1.305 235 W CA 0.737 58.012 57.345 -0.117 0.000 1.465 235 W CB 0.087 29.484 29.460 -0.105 0.000 1.122 235 W HN 0.089 nan 8.180 nan 0.000 0.659 236 K N 0.582 120.631 120.400 -0.585 0.000 2.404 236 K HA 0.104 4.427 4.320 0.006 0.000 0.194 236 K C 1.366 177.888 176.600 -0.130 0.000 1.023 236 K CA 0.157 56.150 56.287 -0.491 0.000 1.094 236 K CB 0.684 32.935 32.500 -0.414 0.000 0.841 236 K HN 0.155 nan 8.250 nan 0.000 0.523 237 V N 1.206 121.043 119.914 -0.128 0.000 3.647 237 V HA 0.006 4.129 4.120 0.006 0.000 0.279 237 V C 1.474 177.546 176.094 -0.037 0.000 1.314 237 V CA 0.479 62.763 62.300 -0.027 0.000 1.125 237 V CB -0.266 31.532 31.823 -0.041 0.000 0.907 237 V HN 0.294 nan 8.190 nan 0.000 0.434 238 M N 0.777 120.309 119.600 -0.113 0.000 2.108 238 M HA -0.098 4.386 4.480 0.006 0.000 0.261 238 M C -0.177 176.161 176.300 0.062 0.000 1.066 238 M CA 2.157 57.322 55.300 -0.224 0.000 1.107 238 M CB -1.844 30.575 32.600 -0.302 0.000 1.356 238 M HN 0.262 nan 8.290 nan 0.000 0.406 239 P HA -0.220 nan 4.420 nan 0.000 0.214 239 P C 1.249 178.547 177.300 -0.003 0.000 1.163 239 P CA 1.530 64.757 63.100 0.212 0.000 0.889 239 P CB -0.176 31.753 31.700 0.381 0.000 0.790 240 E N -0.364 119.819 120.200 -0.028 0.000 2.110 240 E HA -0.164 4.189 4.350 0.006 0.000 0.193 240 E C 1.934 178.469 176.600 -0.109 0.000 0.988 240 E CA 0.830 57.085 56.400 -0.243 0.000 0.804 240 E CB -0.600 29.093 29.700 -0.011 0.000 0.745 240 E HN 0.110 nan 8.360 nan 0.000 0.458 241 L N 0.243 121.460 121.223 -0.010 0.000 1.989 241 L HA -0.253 4.091 4.340 0.006 0.000 0.211 241 L C 2.845 179.775 176.870 0.099 0.000 1.071 241 L CA 1.567 56.416 54.840 0.015 0.000 0.749 241 L CB -0.538 41.590 42.059 0.115 0.000 0.890 241 L HN 0.298 nan 8.230 nan 0.000 0.431 242 M N -0.971 118.778 119.600 0.249 0.000 2.106 242 M HA -0.216 4.268 4.480 0.006 0.000 0.259 242 M C 2.370 178.821 176.300 0.252 0.000 1.068 242 M CA 1.517 57.030 55.300 0.355 0.000 1.100 242 M CB -0.752 32.058 32.600 0.350 0.000 1.351 242 M HN 0.113 nan 8.290 nan 0.000 0.404 243 V N 0.573 120.494 119.914 0.011 0.000 2.233 243 V HA -0.297 3.826 4.120 0.006 0.000 0.247 243 V C 2.460 178.587 176.094 0.055 0.000 1.050 243 V CA 1.929 64.194 62.300 -0.058 0.000 1.010 243 V CB -0.798 30.771 31.823 -0.423 0.000 0.637 243 V HN 0.524 nan 8.190 nan 0.000 0.444 244 Q N -1.124 118.692 119.800 0.027 0.000 2.077 244 Q HA -0.252 4.091 4.340 0.006 0.000 0.206 244 Q C 2.278 178.281 176.000 0.004 0.000 0.989 244 Q CA 1.940 57.751 55.803 0.013 0.000 0.853 244 Q CB -0.328 28.389 28.738 -0.036 0.000 0.907 244 Q HN 0.725 nan 8.270 nan 0.000 0.418 245 H N -0.194 118.921 119.070 0.076 0.000 2.321 245 H HA -0.084 4.476 4.556 0.006 0.000 0.300 245 H C 2.101 177.538 175.328 0.182 0.000 1.087 245 H CA 1.442 57.499 56.048 0.014 0.000 1.319 245 H CB -0.340 29.232 29.762 -0.317 0.000 1.379 245 H HN 0.328 nan 8.280 nan 0.000 0.501 246 A N 1.468 124.563 122.820 0.458 0.000 1.865 246 A HA -0.152 4.171 4.320 0.006 0.000 0.217 246 A C 2.805 180.461 177.584 0.120 0.000 1.191 246 A CA 1.462 53.653 52.037 0.257 0.000 0.623 246 A CB -1.043 18.033 19.000 0.125 0.000 0.826 246 A HN 0.280 nan 8.150 nan 0.000 0.444 247 L N -0.670 120.603 121.223 0.083 0.000 2.012 247 L HA -0.248 4.096 4.340 0.006 0.000 0.210 247 L C 2.603 179.504 176.870 0.052 0.000 1.073 247 L CA 2.007 56.856 54.840 0.015 0.000 0.748 247 L CB -0.695 41.317 42.059 -0.079 0.000 0.891 247 L HN 0.569 nan 8.230 nan 0.000 0.431 248 N N -0.487 118.251 118.700 0.063 0.000 2.216 248 N HA -0.130 4.613 4.740 0.006 0.000 0.183 248 N C 1.850 177.465 175.510 0.175 0.000 1.017 248 N CA 1.449 54.568 53.050 0.115 0.000 0.861 248 N CB 0.098 38.626 38.487 0.068 0.000 0.986 248 N HN 0.135 nan 8.380 nan 0.000 0.428 249 S N 0.350 116.123 115.700 0.122 0.000 2.338 249 S HA -0.096 4.377 4.470 0.006 0.000 0.218 249 S C 1.819 176.517 174.600 0.162 0.000 1.032 249 S CA 0.942 59.189 58.200 0.079 0.000 0.999 249 S CB -0.495 62.579 63.200 -0.210 0.000 0.905 249 S HN 0.360 nan 8.310 nan 0.000 0.439 250 I N 1.391 122.038 120.570 0.129 0.000 2.248 250 I HA -0.160 4.014 4.170 0.006 0.000 0.248 250 I C 1.845 178.078 176.117 0.193 0.000 1.107 250 I CA 0.976 62.370 61.300 0.157 0.000 1.373 250 I CB -0.626 37.433 38.000 0.099 0.000 1.055 250 I HN 0.232 nan 8.210 nan 0.000 0.418 251 F N 0.701 120.673 119.950 0.036 0.000 2.075 251 F HA -0.214 4.317 4.527 0.006 0.000 0.297 251 F C 2.705 178.516 175.800 0.019 0.000 1.113 251 F CA 2.023 60.035 58.000 0.020 0.000 1.218 251 F CB -0.901 38.101 39.000 0.003 0.000 0.984 251 F HN 0.040 nan 8.300 nan 0.000 0.472 252 S N 0.641 116.357 115.700 0.026 0.000 2.383 252 S HA -0.190 4.284 4.470 0.006 0.000 0.229 252 S C 1.897 176.471 174.600 -0.043 0.000 1.030 252 S CA 1.329 59.482 58.200 -0.078 0.000 1.002 252 S CB -0.727 62.499 63.200 0.044 0.000 0.829 252 S HN 0.376 nan 8.310 nan 0.000 0.467 253 L N 2.250 123.511 121.223 0.063 0.000 1.976 253 L HA -0.094 4.249 4.340 0.006 0.000 0.209 253 L C 2.106 178.988 176.870 0.021 0.000 1.071 253 L CA 1.858 56.742 54.840 0.072 0.000 0.746 253 L CB -0.564 41.584 42.059 0.148 0.000 0.890 253 L HN 0.079 nan 8.230 nan 0.000 0.432 254 K N -0.801 119.609 120.400 0.017 0.000 2.103 254 K HA -0.108 4.216 4.320 0.006 0.000 0.207 254 K C 2.030 178.632 176.600 0.004 0.000 1.048 254 K CA 1.524 57.823 56.287 0.020 0.000 0.930 254 K CB -0.718 31.808 32.500 0.044 0.000 0.716 254 K HN 0.305 nan 8.250 nan 0.000 0.444 255 V N 0.213 120.066 119.914 -0.102 0.000 2.469 255 V HA -0.159 3.964 4.120 0.006 0.000 0.251 255 V C 1.705 177.810 176.094 0.020 0.000 1.064 255 V CA 1.991 64.242 62.300 -0.082 0.000 1.066 255 V CB -0.527 31.064 31.823 -0.387 0.000 0.667 255 V HN 0.699 nan 8.190 nan 0.000 0.461 256 G N -2.002 106.796 108.800 -0.003 0.000 2.227 256 G HA2 -0.162 3.802 3.960 0.006 0.000 0.168 256 G HA3 -0.162 3.802 3.960 0.006 0.000 0.168 256 G C 0.108 175.018 174.900 0.016 0.000 1.006 256 G CA -0.116 44.998 45.100 0.024 0.000 0.684 256 G HN 0.296 nan 8.290 nan 0.000 0.489 257 M N 0.778 120.378 119.600 -0.001 0.000 2.250 257 M HA 0.235 4.719 4.480 0.006 0.000 0.325 257 M C 0.826 177.131 176.300 0.007 0.000 1.084 257 M CA 0.701 56.005 55.300 0.007 0.000 1.161 257 M CB 0.407 33.009 32.600 0.004 0.000 1.481 257 M HN 0.054 nan 8.290 nan 0.000 0.449 258 K N 1.466 121.868 120.400 0.003 0.000 2.185 258 K HA 0.129 4.452 4.320 0.006 0.000 0.271 258 K C 0.804 177.383 176.600 -0.035 0.000 1.013 258 K CA -0.331 55.948 56.287 -0.014 0.000 0.943 258 K CB 1.043 33.542 32.500 -0.001 0.000 0.998 258 K HN 0.494 nan 8.250 nan 0.000 0.468 259 K N 0.665 120.998 120.400 -0.111 0.000 2.103 259 K HA -0.140 4.184 4.320 0.006 0.000 0.207 259 K C 1.605 178.125 176.600 -0.134 0.000 1.048 259 K CA 1.787 57.924 56.287 -0.249 0.000 0.930 259 K CB -0.021 32.192 32.500 -0.477 0.000 0.716 259 K HN 0.562 nan 8.250 nan 0.000 0.444 260 S N 1.309 116.968 115.700 -0.069 0.000 2.500 260 S HA -0.073 4.400 4.470 0.006 0.000 0.239 260 S C 1.240 175.915 174.600 0.123 0.000 0.989 260 S CA 0.930 59.137 58.200 0.012 0.000 0.951 260 S CB -0.114 63.115 63.200 0.048 0.000 0.759 260 S HN 0.273 nan 8.310 nan 0.000 0.523 261 N N 0.466 119.202 118.700 0.061 0.000 2.220 261 N HA 0.325 5.069 4.740 0.006 0.000 0.195 261 N C -0.297 175.204 175.510 -0.016 0.000 1.123 261 N CA 0.077 53.136 53.050 0.015 0.000 0.874 261 N CB 0.272 38.754 38.487 -0.010 0.000 0.995 261 N HN 0.400 nan 8.380 nan 0.000 0.498 262 I N 1.174 121.780 120.570 0.060 0.000 2.312 262 I HA 0.151 4.325 4.170 0.006 0.000 0.291 262 I C -0.361 175.821 176.117 0.109 0.000 1.031 262 I CA -0.245 61.125 61.300 0.117 0.000 1.293 262 I CB 0.783 38.957 38.000 0.291 0.000 1.403 262 I HN -0.124 nan 8.210 nan 0.000 0.484 263 C N 7.310 126.611 119.300 0.001 0.000 2.322 263 C HA 0.489 4.953 4.460 0.006 0.000 0.324 263 C C -0.023 174.916 174.990 -0.084 0.000 1.249 263 C CA -0.847 58.141 59.018 -0.050 0.000 1.453 263 C CB 0.508 28.172 27.740 -0.127 0.000 2.145 263 C HN 0.467 nan 8.230 nan 0.000 0.466 264 L N 2.941 124.081 121.223 -0.137 0.000 2.361 264 L HA 0.254 4.598 4.340 0.006 0.000 0.278 264 L C 0.918 177.699 176.870 -0.149 0.000 1.113 264 L CA 0.743 55.451 54.840 -0.220 0.000 0.849 264 L CB 0.598 42.236 42.059 -0.703 0.000 1.155 264 L HN 0.685 nan 8.230 nan 0.000 0.452 265 S N 1.901 117.593 115.700 -0.014 0.000 2.416 265 S HA 0.219 4.692 4.470 0.006 0.000 0.302 265 S C 0.128 174.759 174.600 0.052 0.000 1.120 265 S CA -0.256 57.872 58.200 -0.120 0.000 1.067 265 S CB -0.249 62.727 63.200 -0.374 0.000 1.057 265 S HN 0.640 nan 8.310 nan 0.000 0.518 266 T N 5.469 120.020 114.554 -0.005 0.000 2.864 266 T HA 0.449 4.803 4.350 0.006 0.000 0.310 266 T C -0.762 174.002 174.700 0.106 0.000 1.040 266 T CA -0.495 61.660 62.100 0.092 0.000 0.977 266 T CB 0.298 69.134 68.868 -0.053 0.000 0.976 266 T HN 0.295 nan 8.240 nan 0.000 0.459 267 V N 8.808 128.830 119.914 0.180 0.000 2.383 267 V HA 0.374 4.498 4.120 0.006 0.000 0.275 267 V C -2.071 174.151 176.094 0.214 0.000 1.036 267 V CA -2.108 60.292 62.300 0.167 0.000 0.889 267 V CB 1.225 33.148 31.823 0.166 0.000 0.985 267 V HN 0.728 nan 8.190 nan 0.000 0.459 268 P HA 0.106 nan 4.420 nan 0.000 0.257 268 P C -2.201 175.222 177.300 0.205 0.000 1.189 268 P CA -0.804 62.423 63.100 0.212 0.000 0.780 268 P CB 0.117 31.914 31.700 0.161 0.000 0.772 269 P HA -0.040 nan 4.420 nan 0.000 0.237 269 P C 0.143 177.643 177.300 0.333 0.000 1.178 269 P CA 1.037 64.264 63.100 0.211 0.000 0.766 269 P CB 0.174 31.949 31.700 0.125 0.000 0.876 270 T N -3.793 110.923 114.554 0.270 0.000 2.907 270 T HA 0.834 5.188 4.350 0.006 0.000 0.290 270 T C -0.781 174.015 174.700 0.159 0.000 1.066 270 T CA -0.997 61.242 62.100 0.232 0.000 1.012 270 T CB 2.366 71.265 68.868 0.051 0.000 1.184 270 T HN -0.042 nan 8.240 nan 0.000 0.522 271 A N 0.661 123.506 122.820 0.042 0.000 2.594 271 A HA 0.890 5.214 4.320 0.006 0.000 0.291 271 A C -3.160 174.375 177.584 -0.082 0.000 1.105 271 A CA -1.925 50.128 52.037 0.026 0.000 0.694 271 A CB 0.659 19.725 19.000 0.111 0.000 1.291 271 A HN 0.660 nan 8.150 nan 0.000 0.410 272 P HA 0.276 nan 4.420 nan 0.000 0.269 272 P C -1.925 175.316 177.300 -0.099 0.000 1.209 272 P CA -0.568 62.482 63.100 -0.084 0.000 0.776 272 P CB 0.084 31.752 31.700 -0.053 0.000 0.876 273 P HA 0.120 nan 4.420 nan 0.000 0.245 273 P C -0.007 177.199 177.300 -0.157 0.000 1.212 273 P CA 0.189 63.219 63.100 -0.116 0.000 0.774 273 P CB -0.018 31.620 31.700 -0.103 0.000 0.999 274 A N 2.312 125.004 122.820 -0.214 0.000 2.498 274 A HA 0.277 4.600 4.320 0.006 0.000 0.239 274 A C -1.780 175.693 177.584 -0.185 0.000 1.068 274 A CA -1.033 50.841 52.037 -0.272 0.000 0.766 274 A CB -0.670 18.093 19.000 -0.395 0.000 1.003 274 A HN 0.055 nan 8.150 nan 0.000 0.497 275 P HA -0.004 nan 4.420 nan 0.000 0.252 275 P C 0.808 178.088 177.300 -0.035 0.000 1.635 275 P CA 0.612 63.650 63.100 -0.103 0.000 1.206 275 P CB -0.179 31.442 31.700 -0.132 0.000 1.911 276 S N 2.230 117.911 115.700 -0.032 0.000 2.383 276 S HA -0.142 4.331 4.470 0.006 0.000 0.227 276 S C 1.848 176.485 174.600 0.060 0.000 1.026 276 S CA 0.642 58.844 58.200 0.004 0.000 0.981 276 S CB -0.648 62.556 63.200 0.007 0.000 0.818 276 S HN 0.050 nan 8.310 nan 0.000 0.472 277 M N 0.273 119.916 119.600 0.071 0.000 2.086 277 M HA 0.006 4.489 4.480 0.006 0.000 0.261 277 M C 2.145 178.514 176.300 0.115 0.000 1.067 277 M CA 1.514 56.866 55.300 0.087 0.000 1.116 277 M CB -1.417 31.229 32.600 0.078 0.000 1.348 277 M HN 0.449 nan 8.290 nan 0.000 0.407 278 Y N 1.104 121.403 120.300 -0.002 0.000 2.145 278 Y HA -0.208 4.346 4.550 0.006 0.000 0.286 278 Y C 2.262 178.170 175.900 0.013 0.000 1.145 278 Y CA 1.703 59.804 58.100 0.001 0.000 1.148 278 Y CB -0.329 38.119 38.460 -0.021 0.000 0.981 278 Y HN 0.087 nan 8.280 nan 0.000 0.507 279 L N -0.548 120.767 121.223 0.153 0.000 2.056 279 L HA -0.223 4.120 4.340 0.006 0.000 0.207 279 L C 1.780 178.709 176.870 0.098 0.000 1.078 279 L CA 1.606 56.500 54.840 0.090 0.000 0.749 279 L CB -0.411 41.670 42.059 0.037 0.000 0.901 279 L HN 0.179 nan 8.230 nan 0.000 0.433 280 D N -0.761 119.705 120.400 0.110 0.000 2.277 280 D HA -0.061 4.583 4.640 0.006 0.000 0.209 280 D C 2.023 178.407 176.300 0.141 0.000 0.970 280 D CA 0.467 54.562 54.000 0.160 0.000 0.874 280 D CB 0.100 40.995 40.800 0.158 0.000 0.982 280 D HN 0.093 nan 8.370 nan 0.000 0.504 281 L N 1.248 122.515 121.223 0.073 0.000 2.141 281 L HA 0.001 4.345 4.340 0.006 0.000 0.209 281 L C -1.054 175.829 176.870 0.021 0.000 1.094 281 L CA 1.786 56.647 54.840 0.036 0.000 0.763 281 L CB -1.123 40.941 42.059 0.009 0.000 0.908 281 L HN -0.078 nan 8.230 nan 0.000 0.437 282 P HA -0.209 nan 4.420 nan 0.000 0.215 282 P C 1.330 178.689 177.300 0.097 0.000 1.157 282 P CA 1.372 64.490 63.100 0.030 0.000 0.863 282 P CB -0.303 31.402 31.700 0.008 0.000 0.787 283 Y N 1.118 121.442 120.300 0.040 0.000 2.165 283 Y HA -0.213 4.340 4.550 0.006 0.000 0.286 283 Y C 2.270 178.200 175.900 0.050 0.000 1.155 283 Y CA 1.561 59.700 58.100 0.065 0.000 1.164 283 Y CB -1.183 37.327 38.460 0.084 0.000 0.978 283 Y HN -0.127 nan 8.280 nan 0.000 0.513 284 A N -0.441 122.287 122.820 -0.153 0.000 1.940 284 A HA -0.167 4.156 4.320 0.006 0.000 0.219 284 A C 2.344 179.826 177.584 -0.169 0.000 1.176 284 A CA 2.226 54.129 52.037 -0.224 0.000 0.631 284 A CB -1.318 17.640 19.000 -0.071 0.000 0.814 284 A HN 0.360 nan 8.150 nan 0.000 0.446 285 V N -0.318 119.547 119.914 -0.082 0.000 2.323 285 V HA -0.189 3.935 4.120 0.006 0.000 0.244 285 V C 3.057 179.128 176.094 -0.038 0.000 1.041 285 V CA 1.793 64.065 62.300 -0.048 0.000 1.025 285 V CB -1.334 30.477 31.823 -0.019 0.000 0.656 285 V HN 0.612 nan 8.190 nan 0.000 0.451 286 A N -0.138 122.667 122.820 -0.024 0.000 1.883 286 A HA -0.241 4.082 4.320 0.006 0.000 0.217 286 A C 2.203 179.803 177.584 0.027 0.000 1.186 286 A CA 2.254 54.304 52.037 0.021 0.000 0.624 286 A CB -0.695 18.350 19.000 0.075 0.000 0.822 286 A HN 0.425 nan 8.150 nan 0.000 0.444 287 L N -0.734 120.434 121.223 -0.091 0.000 1.989 287 L HA -0.180 4.163 4.340 0.006 0.000 0.211 287 L C 2.548 179.435 176.870 0.029 0.000 1.071 287 L CA 2.119 56.912 54.840 -0.078 0.000 0.749 287 L CB -0.415 41.361 42.059 -0.471 0.000 0.890 287 L HN 0.270 nan 8.230 nan 0.000 0.431 288 R N -0.347 120.121 120.500 -0.054 0.000 2.127 288 R HA -0.127 4.217 4.340 0.006 0.000 0.238 288 R C 2.203 178.535 176.300 0.053 0.000 1.134 288 R CA 1.342 57.436 56.100 -0.009 0.000 0.975 288 R CB -0.329 29.947 30.300 -0.040 0.000 0.865 288 R HN 0.517 nan 8.270 nan 0.000 0.447 289 E N -1.201 119.029 120.200 0.050 0.000 2.102 289 E HA -0.075 4.279 4.350 0.006 0.000 0.190 289 E C 1.532 178.165 176.600 0.055 0.000 0.971 289 E CA 0.787 57.214 56.400 0.045 0.000 0.821 289 E CB 0.032 29.748 29.700 0.027 0.000 0.777 289 E HN 0.087 nan 8.360 nan 0.000 0.460 290 M N -0.509 119.144 119.600 0.089 0.000 2.419 290 M HA 0.037 4.520 4.480 0.006 0.000 0.264 290 M C 0.366 176.572 176.300 -0.157 0.000 1.082 290 M CA 1.307 56.602 55.300 -0.008 0.000 1.119 290 M CB 0.335 32.951 32.600 0.026 0.000 1.398 290 M HN -0.049 nan 8.290 nan 0.000 0.453 291 F N 0.126 120.073 119.950 -0.004 0.000 2.708 291 F HA 0.321 4.851 4.527 0.006 0.000 0.300 291 F C 0.391 176.285 175.800 0.156 0.000 1.118 291 F CA -0.615 57.410 58.000 0.042 0.000 1.307 291 F CB -0.208 38.735 39.000 -0.095 0.000 0.986 291 F HN 0.031 nan 8.300 nan 0.000 0.522 292 E N 0.724 121.037 120.200 0.189 0.000 2.585 292 E HA 0.246 4.599 4.350 0.006 0.000 0.252 292 E C 1.187 177.857 176.600 0.117 0.000 0.981 292 E CA 1.220 57.690 56.400 0.117 0.000 0.943 292 E CB 0.253 29.981 29.700 0.047 0.000 0.923 292 E HN 0.626 nan 8.360 nan 0.000 0.486 293 G N 3.435 112.269 108.800 0.056 0.000 2.481 293 G HA2 -0.247 3.716 3.960 0.006 0.000 0.200 293 G HA3 -0.247 3.716 3.960 0.006 0.000 0.200 293 G C -0.354 174.445 174.900 -0.168 0.000 1.012 293 G CA -0.134 44.912 45.100 -0.089 0.000 0.676 293 G HN 0.539 nan 8.290 nan 0.000 0.488 294 Y N 1.421 121.733 120.300 0.020 0.000 2.344 294 Y HA 0.744 5.298 4.550 0.006 0.000 0.330 294 Y C 1.164 177.039 175.900 -0.042 0.000 1.330 294 Y CA -0.584 57.525 58.100 0.015 0.000 1.479 294 Y CB 0.469 38.980 38.460 0.085 0.000 1.428 294 Y HN -0.054 nan 8.280 nan 0.000 0.544 295 R N 1.426 121.998 120.500 0.119 0.000 2.349 295 R HA 0.327 4.671 4.340 0.006 0.000 0.299 295 R C -0.888 175.398 176.300 -0.022 0.000 1.027 295 R CA -0.538 55.566 56.100 0.006 0.000 0.958 295 R CB 0.826 31.151 30.300 0.041 0.000 1.047 295 R HN 0.569 nan 8.270 nan 0.000 0.468 296 M N 3.054 122.621 119.600 -0.056 0.000 2.080 296 M HA 0.275 4.758 4.480 0.006 0.000 0.350 296 M C 0.538 176.809 176.300 -0.049 0.000 1.173 296 M CA -0.291 54.955 55.300 -0.090 0.000 1.052 296 M CB 0.924 33.465 32.600 -0.098 0.000 1.577 296 M HN 0.170 nan 8.290 nan 0.000 0.455 297 R N 3.047 123.504 120.500 -0.071 0.000 2.471 297 R HA 0.541 4.885 4.340 0.006 0.000 0.292 297 R C -0.908 175.360 176.300 -0.054 0.000 1.192 297 R CA -0.107 55.969 56.100 -0.040 0.000 1.257 297 R CB 0.275 30.530 30.300 -0.076 0.000 1.130 297 R HN 0.822 nan 8.270 nan 0.000 0.558 298 A N 3.009 125.815 122.820 -0.023 0.000 2.511 298 A HA 0.134 4.457 4.320 0.006 0.000 0.242 298 A C -0.044 177.535 177.584 -0.009 0.000 1.069 298 A CA 0.055 52.084 52.037 -0.012 0.000 0.763 298 A CB 0.556 19.559 19.000 0.006 0.000 1.001 298 A HN 0.746 nan 8.150 nan 0.000 0.498 299 Q N 1.453 121.251 119.800 -0.004 0.000 2.484 299 Q HA 0.730 5.074 4.340 0.006 0.000 0.285 299 Q C -0.896 175.117 176.000 0.022 0.000 1.097 299 Q CA -0.390 55.408 55.803 -0.008 0.000 0.802 299 Q CB 1.280 29.997 28.738 -0.035 0.000 1.444 299 Q HN 0.727 nan 8.270 nan 0.000 0.429 300 M N 1.636 121.231 119.600 -0.007 0.000 2.471 300 M HA 0.400 4.883 4.480 0.006 0.000 0.309 300 M C -0.040 176.318 176.300 0.097 0.000 1.186 300 M CA -0.865 54.441 55.300 0.010 0.000 1.008 300 M CB 1.047 33.503 32.600 -0.239 0.000 1.551 300 M HN 0.805 nan 8.290 nan 0.000 0.477 301 N N 0.303 119.120 118.700 0.194 0.000 2.356 301 N HA -0.036 4.707 4.740 0.006 0.000 0.252 301 N C 0.401 176.010 175.510 0.164 0.000 1.241 301 N CA 0.821 53.981 53.050 0.184 0.000 0.861 301 N CB 0.622 39.234 38.487 0.208 0.000 1.075 301 N HN 0.742 nan 8.380 nan 0.000 0.461 302 T N -0.123 114.474 114.554 0.073 0.000 2.969 302 T HA 0.126 4.480 4.350 0.006 0.000 0.258 302 T C 1.425 176.102 174.700 -0.038 0.000 0.962 302 T CA -0.248 61.873 62.100 0.035 0.000 0.903 302 T CB -0.208 68.668 68.868 0.014 0.000 1.177 302 T HN 0.487 nan 8.240 nan 0.000 0.511 303 K N 0.532 120.857 120.400 -0.124 0.000 2.001 303 K HA 0.002 4.325 4.320 0.006 0.000 0.208 303 K C -0.144 176.262 176.600 -0.323 0.000 1.048 303 K CA 0.999 57.090 56.287 -0.326 0.000 0.932 303 K CB -0.040 32.092 32.500 -0.614 0.000 0.715 303 K HN 0.396 nan 8.250 nan 0.000 0.437 304 Y N 0.940 121.266 120.300 0.044 0.000 2.832 304 Y HA 0.314 4.868 4.550 0.006 0.000 0.372 304 Y C -0.044 175.858 175.900 0.004 0.000 1.238 304 Y CA -0.293 57.826 58.100 0.032 0.000 1.713 304 Y CB 0.142 38.630 38.460 0.047 0.000 1.809 304 Y HN 0.099 nan 8.280 nan 0.000 0.472 305 M N 0.211 119.863 119.600 0.087 0.000 2.619 305 M HA 0.533 5.016 4.480 0.006 0.000 0.297 305 M C -1.124 175.176 176.300 0.001 0.000 1.229 305 M CA -0.222 55.092 55.300 0.024 0.000 0.860 305 M CB 2.536 35.139 32.600 0.004 0.000 1.741 305 M HN 0.202 nan 8.290 nan 0.000 0.462 306 E N 0.470 120.651 120.200 -0.031 0.000 2.296 306 E HA 0.561 4.915 4.350 0.006 0.000 0.224 306 E C -0.355 176.199 176.600 -0.078 0.000 0.949 306 E CA 0.124 56.499 56.400 -0.042 0.000 0.879 306 E CB 1.632 31.316 29.700 -0.027 0.000 1.922 306 E HN 0.775 nan 8.360 nan 0.000 0.437 307 A N 0.360 123.132 122.820 -0.081 0.000 2.132 307 A HA 0.034 4.358 4.320 0.006 0.000 0.213 307 A C 1.044 178.552 177.584 -0.127 0.000 1.154 307 A CA 0.804 52.773 52.037 -0.113 0.000 0.753 307 A CB -0.101 18.841 19.000 -0.097 0.000 0.826 307 A HN 0.203 nan 8.150 nan 0.000 0.469 308 S N 0.427 116.068 115.700 -0.098 0.000 2.531 308 S HA 0.236 4.709 4.470 0.006 0.000 0.279 308 S C 1.235 175.762 174.600 -0.121 0.000 1.305 308 S CA 0.439 58.583 58.200 -0.094 0.000 1.058 308 S CB 0.728 63.890 63.200 -0.063 0.000 0.899 308 S HN 0.582 nan 8.310 nan 0.000 0.493 309 T N 2.629 117.105 114.554 -0.130 0.000 3.057 309 T HA 0.134 4.487 4.350 0.006 0.000 0.254 309 T C 1.717 176.369 174.700 -0.080 0.000 1.094 309 T CA -0.038 61.975 62.100 -0.144 0.000 1.088 309 T CB -0.135 68.608 68.868 -0.209 0.000 0.934 309 T HN 0.646 nan 8.240 nan 0.000 0.497 310 R N 1.392 121.859 120.500 -0.056 0.000 2.062 310 R HA -0.033 4.311 4.340 0.006 0.000 0.229 310 R C 2.356 178.622 176.300 -0.057 0.000 1.128 310 R CA 1.451 57.530 56.100 -0.035 0.000 0.960 310 R CB -0.347 29.941 30.300 -0.020 0.000 0.855 310 R HN 0.573 nan 8.270 nan 0.000 0.432 311 E N 0.014 120.172 120.200 -0.070 0.000 2.058 311 E HA -0.212 4.141 4.350 0.006 0.000 0.194 311 E C 1.770 178.289 176.600 -0.135 0.000 0.997 311 E CA 1.454 57.806 56.400 -0.081 0.000 0.801 311 E CB -0.094 29.564 29.700 -0.070 0.000 0.746 311 E HN 0.461 nan 8.360 nan 0.000 0.450 312 A N 0.170 122.881 122.820 -0.183 0.000 1.877 312 A HA -0.164 4.159 4.320 0.006 0.000 0.216 312 A C 2.410 179.678 177.584 -0.527 0.000 1.186 312 A CA 2.050 53.872 52.037 -0.358 0.000 0.620 312 A CB -0.963 17.874 19.000 -0.272 0.000 0.822 312 A HN 0.308 nan 8.150 nan 0.000 0.443 313 T N -0.380 114.041 114.554 -0.222 0.000 2.746 313 T HA -0.114 4.240 4.350 0.006 0.000 0.267 313 T C 1.888 176.559 174.700 -0.048 0.000 1.039 313 T CA 1.589 63.649 62.100 -0.066 0.000 1.142 313 T CB -0.373 68.509 68.868 0.024 0.000 0.866 313 T HN 0.151 nan 8.240 nan 0.000 0.444 314 V N 1.276 121.151 119.914 -0.065 0.000 2.343 314 V HA -0.185 3.938 4.120 0.006 0.000 0.247 314 V C 2.757 178.833 176.094 -0.031 0.000 1.051 314 V CA 2.023 64.305 62.300 -0.031 0.000 1.036 314 V CB -1.032 30.772 31.823 -0.033 0.000 0.654 314 V HN 0.504 nan 8.190 nan 0.000 0.451 315 T N -1.367 113.132 114.554 -0.091 0.000 2.867 315 T HA -0.161 4.193 4.350 0.006 0.000 0.268 315 T C 1.792 176.519 174.700 0.045 0.000 1.057 315 T CA 1.311 63.382 62.100 -0.048 0.000 1.136 315 T CB -0.330 68.490 68.868 -0.080 0.000 0.874 315 T HN 0.528 nan 8.240 nan 0.000 0.466 316 H N 0.264 119.356 119.070 0.037 0.000 2.462 316 H HA 0.122 4.682 4.556 0.006 0.000 0.292 316 H C 2.328 177.680 175.328 0.041 0.000 1.049 316 H CA 0.383 56.456 56.048 0.041 0.000 1.334 316 H CB -0.570 29.215 29.762 0.038 0.000 1.404 316 H HN 0.229 nan 8.280 nan 0.000 0.544 317 V N 0.890 120.892 119.914 0.147 0.000 2.453 317 V HA -0.159 3.965 4.120 0.006 0.000 0.247 317 V C 2.596 178.737 176.094 0.078 0.000 1.048 317 V CA 0.976 63.335 62.300 0.098 0.000 1.049 317 V CB -0.474 31.390 31.823 0.069 0.000 0.672 317 V HN 0.254 nan 8.190 nan 0.000 0.457 318 L N -0.016 121.250 121.223 0.072 0.000 2.093 318 L HA -0.138 4.206 4.340 0.006 0.000 0.208 318 L C 2.240 179.157 176.870 0.079 0.000 1.085 318 L CA 1.668 56.546 54.840 0.064 0.000 0.755 318 L CB -0.864 41.226 42.059 0.052 0.000 0.904 318 L HN 0.413 nan 8.230 nan 0.000 0.435 319 N N 0.243 119.008 118.700 0.108 0.000 2.104 319 N HA -0.199 4.544 4.740 0.006 0.000 0.190 319 N C 1.938 177.497 175.510 0.081 0.000 1.024 319 N CA 0.972 54.089 53.050 0.111 0.000 0.853 319 N CB -0.109 38.467 38.487 0.148 0.000 1.008 319 N HN 0.257 nan 8.380 nan 0.000 0.424 320 L N 0.288 121.558 121.223 0.079 0.000 2.093 320 L HA -0.114 4.229 4.340 0.006 0.000 0.208 320 L C 2.193 179.091 176.870 0.047 0.000 1.085 320 L CA 0.393 55.268 54.840 0.059 0.000 0.755 320 L CB -0.192 41.904 42.059 0.062 0.000 0.904 320 L HN 0.228 nan 8.230 nan 0.000 0.435 321 L N -0.286 120.966 121.223 0.049 0.000 2.083 321 L HA -0.207 4.137 4.340 0.006 0.000 0.209 321 L C 2.358 179.249 176.870 0.034 0.000 1.083 321 L CA 1.636 56.499 54.840 0.038 0.000 0.752 321 L CB -0.380 41.701 42.059 0.038 0.000 0.899 321 L HN 0.084 nan 8.230 nan 0.000 0.433 322 I N -0.714 119.882 120.570 0.042 0.000 2.163 322 I HA -0.297 3.877 4.170 0.006 0.000 0.243 322 I C 2.435 178.565 176.117 0.021 0.000 1.085 322 I CA 1.668 62.990 61.300 0.037 0.000 1.347 322 I CB -1.456 36.577 38.000 0.054 0.000 1.044 322 I HN 0.289 nan 8.210 nan 0.000 0.408 323 S N 0.508 116.222 115.700 0.024 0.000 2.382 323 S HA -0.187 4.287 4.470 0.006 0.000 0.228 323 S C 1.955 176.561 174.600 0.009 0.000 1.027 323 S CA 1.198 59.406 58.200 0.013 0.000 0.991 323 S CB -0.181 63.031 63.200 0.020 0.000 0.823 323 S HN 0.273 nan 8.310 nan 0.000 0.469 324 K N 1.728 122.137 120.400 0.016 0.000 2.097 324 K HA 0.133 4.457 4.320 0.006 0.000 0.205 324 K C 1.623 178.226 176.600 0.006 0.000 1.050 324 K CA 1.041 57.335 56.287 0.012 0.000 0.938 324 K CB -0.478 32.032 32.500 0.017 0.000 0.718 324 K HN 0.317 nan 8.250 nan 0.000 0.442 325 L N 0.161 121.388 121.223 0.007 0.000 2.552 325 L HA -0.012 4.332 4.340 0.006 0.000 0.227 325 L C 1.578 178.444 176.870 -0.005 0.000 1.146 325 L CA 1.074 55.915 54.840 0.003 0.000 0.858 325 L CB -0.357 41.706 42.059 0.007 0.000 0.969 325 L HN 0.445 nan 8.230 nan 0.000 0.451 326 T N -3.188 111.360 114.554 -0.010 0.000 2.964 326 T HA 0.281 4.635 4.350 0.006 0.000 0.161 326 T C 0.296 174.981 174.700 -0.025 0.000 0.859 326 T CA -0.518 61.569 62.100 -0.021 0.000 1.015 326 T CB 0.793 69.640 68.868 -0.034 0.000 2.138 326 T HN 0.060 nan 8.240 nan 0.000 0.367 327 R N 0.126 120.607 120.500 -0.031 0.000 2.604 327 R HA 0.642 4.986 4.340 0.006 0.000 0.261 327 R C -2.380 173.900 176.300 -0.034 0.000 1.080 327 R CA -0.338 55.741 56.100 -0.035 0.000 0.917 327 R CB 1.795 32.067 30.300 -0.047 0.000 1.252 327 R HN 0.860 nan 8.270 nan 0.000 0.456 328 A N 3.368 126.174 122.820 -0.024 0.000 2.499 328 A HA 0.293 4.616 4.320 0.006 0.000 0.280 328 A C -0.433 177.153 177.584 0.003 0.000 1.135 328 A CA -0.735 51.298 52.037 -0.006 0.000 0.744 328 A CB 1.100 20.111 19.000 0.018 0.000 1.213 328 A HN 0.895 nan 8.150 nan 0.000 0.434 329 D N 1.614 122.006 120.400 -0.012 0.000 2.091 329 D HA -0.008 4.636 4.640 0.006 0.000 0.199 329 D C 0.471 176.904 176.300 0.221 0.000 0.980 329 D CA 1.523 55.512 54.000 -0.018 0.000 0.831 329 D CB 0.302 40.995 40.800 -0.178 0.000 0.987 329 D HN 0.596 nan 8.370 nan 0.000 0.460 330 I N 0.669 121.381 120.570 0.236 0.000 2.441 330 I HA 0.166 4.340 4.170 0.006 0.000 0.295 330 I C -0.258 175.949 176.117 0.150 0.000 0.994 330 I CA -0.703 60.757 61.300 0.268 0.000 1.144 330 I CB 2.000 40.162 38.000 0.270 0.000 1.314 330 I HN -0.242 nan 8.210 nan 0.000 0.445 331 Q N 4.509 124.397 119.800 0.145 0.000 2.394 331 Q HA 0.388 4.732 4.340 0.006 0.000 0.259 331 Q C -1.096 174.959 176.000 0.092 0.000 1.021 331 Q CA -0.248 55.610 55.803 0.091 0.000 0.805 331 Q CB 1.497 30.277 28.738 0.070 0.000 1.226 331 Q HN 0.674 nan 8.270 nan 0.000 0.476 332 S N 1.751 117.486 115.700 0.058 0.000 2.652 332 S HA 0.728 5.202 4.470 0.006 0.000 0.270 332 S C -0.376 174.212 174.600 -0.020 0.000 1.243 332 S CA -0.258 57.957 58.200 0.025 0.000 0.999 332 S CB 1.018 64.211 63.200 -0.011 0.000 0.973 332 S HN 0.758 nan 8.310 nan 0.000 0.544 333 T N -0.741 113.788 114.554 -0.042 0.000 2.900 333 T HA 0.682 5.035 4.350 0.006 0.000 0.295 333 T C -0.885 173.745 174.700 -0.115 0.000 1.044 333 T CA -0.798 61.245 62.100 -0.094 0.000 0.995 333 T CB 0.640 69.480 68.868 -0.047 0.000 1.072 333 T HN 0.246 nan 8.240 nan 0.000 0.473 334 I N 2.971 123.398 120.570 -0.238 0.000 2.525 334 I HA 0.409 4.582 4.170 0.006 0.000 0.301 334 I C 1.200 177.277 176.117 -0.067 0.000 0.992 334 I CA -0.629 60.581 61.300 -0.150 0.000 1.162 334 I CB 1.683 39.596 38.000 -0.145 0.000 1.332 334 I HN 1.045 nan 8.210 nan 0.000 0.458 335 T N 2.232 116.796 114.554 0.017 0.000 2.907 335 T HA 0.277 4.630 4.350 0.006 0.000 0.298 335 T C -1.978 172.753 174.700 0.052 0.000 1.017 335 T CA -1.393 60.739 62.100 0.054 0.000 1.118 335 T CB 1.002 69.899 68.868 0.048 0.000 0.948 335 T HN 0.343 nan 8.240 nan 0.000 0.531 336 P HA -0.041 nan 4.420 nan 0.000 0.225 336 P C 0.945 178.085 177.300 -0.268 0.000 1.148 336 P CA 0.825 63.893 63.100 -0.054 0.000 0.779 336 P CB 0.036 31.715 31.700 -0.034 0.000 0.780 337 D N -1.708 118.430 120.400 -0.438 0.000 2.379 337 D HA -0.053 4.591 4.640 0.006 0.000 0.208 337 D C 1.515 177.593 176.300 -0.371 0.000 1.065 337 D CA 0.115 53.738 54.000 -0.628 0.000 0.848 337 D CB -0.718 39.393 40.800 -1.149 0.000 0.949 337 D HN 0.027 nan 8.370 nan 0.000 0.509 338 E N 1.005 121.078 120.200 -0.212 0.000 2.136 338 E HA -0.178 4.176 4.350 0.006 0.000 0.202 338 E C 1.817 178.342 176.600 -0.125 0.000 1.019 338 E CA 1.768 58.092 56.400 -0.126 0.000 0.819 338 E CB -0.349 29.323 29.700 -0.048 0.000 0.739 338 E HN 0.528 nan 8.360 nan 0.000 0.458 339 G N -0.373 108.350 108.800 -0.128 0.000 2.813 339 G HA2 -0.132 3.832 3.960 0.006 0.000 0.209 339 G HA3 -0.132 3.832 3.960 0.006 0.000 0.209 339 G C 1.570 176.395 174.900 -0.126 0.000 1.150 339 G CA 0.067 45.104 45.100 -0.105 0.000 0.785 339 G HN 0.098 nan 8.290 nan 0.000 0.535 340 R N -0.043 120.346 120.500 -0.186 0.000 2.191 340 R HA 0.157 4.500 4.340 0.006 0.000 0.196 340 R C 0.519 176.700 176.300 -0.197 0.000 0.991 340 R CA 0.702 56.679 56.100 -0.206 0.000 1.075 340 R CB 0.230 30.348 30.300 -0.304 0.000 1.040 340 R HN 0.546 nan 8.270 nan 0.000 0.526 341 N N -1.837 116.724 118.700 -0.231 0.000 3.339 341 N HA 0.049 4.793 4.740 0.006 0.000 0.275 341 N C -1.126 174.292 175.510 -0.152 0.000 1.514 341 N CA -0.751 52.193 53.050 -0.178 0.000 0.879 341 N CB 1.505 39.863 38.487 -0.215 0.000 1.557 341 N HN -0.250 nan 8.380 nan 0.000 0.524 342 V N 0.580 120.456 119.914 -0.062 0.000 2.715 342 V HA 0.257 4.381 4.120 0.006 0.000 0.299 342 V C -2.083 174.014 176.094 0.005 0.000 1.054 342 V CA -0.935 61.348 62.300 -0.029 0.000 1.077 342 V CB 0.225 32.036 31.823 -0.020 0.000 0.972 342 V HN 0.581 nan 8.190 nan 0.000 0.484 343 P HA 0.001 nan 4.420 nan 0.000 0.262 343 P C -0.700 176.725 177.300 0.207 0.000 1.199 343 P CA 0.055 63.183 63.100 0.046 0.000 0.763 343 P CB 0.150 31.879 31.700 0.048 0.000 0.790 344 W N 3.093 124.408 121.300 0.024 0.000 2.215 344 W HA 0.148 4.812 4.660 0.005 0.000 0.342 344 W C 1.982 178.457 176.519 -0.074 0.000 1.237 344 W CA -0.377 56.923 57.345 -0.075 0.000 1.283 344 W CB -0.783 28.712 29.460 0.058 0.000 1.131 344 W HN 0.550 nan 8.180 nan 0.000 0.606 345 H N 1.737 120.924 119.070 0.196 0.000 2.265 345 H HA -0.222 4.338 4.556 0.006 0.000 0.293 345 H C 2.003 177.337 175.328 0.010 0.000 1.089 345 H CA 2.667 58.757 56.048 0.070 0.000 1.244 345 H CB -0.889 28.872 29.762 -0.001 0.000 1.355 345 H HN 0.514 nan 8.280 nan 0.000 0.485 346 I N -1.311 119.296 120.570 0.061 0.000 2.530 346 I HA -0.254 3.919 4.170 0.006 0.000 0.257 346 I C 1.808 177.758 176.117 -0.278 0.000 1.179 346 I CA 1.594 62.783 61.300 -0.185 0.000 1.440 346 I CB -0.579 37.221 38.000 -0.333 0.000 1.087 346 I HN -0.039 nan 8.210 nan 0.000 0.440 347 Y N 1.554 121.906 120.300 0.087 0.000 2.397 347 Y HA 0.043 4.596 4.550 0.006 0.000 0.292 347 Y C 2.296 178.211 175.900 0.024 0.000 1.115 347 Y CA 0.993 59.110 58.100 0.028 0.000 1.208 347 Y CB -0.893 37.551 38.460 -0.028 0.000 1.046 347 Y HN 0.181 nan 8.280 nan 0.000 0.552 348 N N 0.089 118.891 118.700 0.170 0.000 2.205 348 N HA -0.165 4.579 4.740 0.006 0.000 0.186 348 N C 1.424 176.970 175.510 0.059 0.000 1.015 348 N CA 1.278 54.394 53.050 0.109 0.000 0.862 348 N CB -0.310 38.245 38.487 0.113 0.000 0.986 348 N HN 0.146 nan 8.380 nan 0.000 0.429 349 I N 1.326 121.892 120.570 -0.006 0.000 2.233 349 I HA -0.148 4.025 4.170 0.006 0.000 0.243 349 I C 2.025 178.114 176.117 -0.048 0.000 1.093 349 I CA 0.976 62.195 61.300 -0.135 0.000 1.380 349 I CB -0.593 37.178 38.000 -0.382 0.000 1.067 349 I HN 0.175 nan 8.210 nan 0.000 0.413 350 E N 0.611 120.820 120.200 0.015 0.000 2.049 350 E HA -0.317 4.037 4.350 0.006 0.000 0.198 350 E C 2.307 178.973 176.600 0.111 0.000 1.007 350 E CA 1.717 58.172 56.400 0.092 0.000 0.809 350 E CB -0.419 29.396 29.700 0.191 0.000 0.749 350 E HN 0.501 nan 8.360 nan 0.000 0.450 351 A N 1.242 124.132 122.820 0.116 0.000 1.884 351 A HA -0.275 4.049 4.320 0.006 0.000 0.219 351 A C 2.591 180.223 177.584 0.081 0.000 1.197 351 A CA 1.939 54.029 52.037 0.089 0.000 0.637 351 A CB -1.158 17.878 19.000 0.059 0.000 0.827 351 A HN 0.416 nan 8.150 nan 0.000 0.450 352 C N -0.789 118.563 119.300 0.087 0.000 2.425 352 C HA -0.069 4.394 4.460 0.006 0.000 0.277 352 C C 2.381 177.449 174.990 0.130 0.000 1.280 352 C CA 0.971 60.054 59.018 0.109 0.000 1.744 352 C CB -1.264 26.560 27.740 0.140 0.000 1.989 352 C HN 0.608 nan 8.230 nan 0.000 0.491 353 D N 0.331 120.818 120.400 0.144 0.000 2.097 353 D HA -0.085 4.558 4.640 0.006 0.000 0.197 353 D C 2.270 178.641 176.300 0.118 0.000 0.984 353 D CA 1.481 55.576 54.000 0.158 0.000 0.826 353 D CB -0.737 40.164 40.800 0.169 0.000 0.973 353 D HN 0.354 nan 8.370 nan 0.000 0.460 354 T N 0.599 115.218 114.554 0.109 0.000 2.684 354 T HA -0.140 4.214 4.350 0.006 0.000 0.267 354 T C 1.938 176.691 174.700 0.088 0.000 1.036 354 T CA 1.653 63.814 62.100 0.102 0.000 1.148 354 T CB -0.271 68.668 68.868 0.119 0.000 0.863 354 T HN 0.190 nan 8.240 nan 0.000 0.436 355 A N 2.049 124.916 122.820 0.080 0.000 1.930 355 A HA -0.123 4.201 4.320 0.006 0.000 0.217 355 A C 2.148 179.768 177.584 0.059 0.000 1.175 355 A CA 1.942 54.017 52.037 0.064 0.000 0.627 355 A CB -0.426 18.607 19.000 0.054 0.000 0.815 355 A HN 0.710 nan 8.150 nan 0.000 0.443 356 K N -0.615 119.823 120.400 0.064 0.000 2.305 356 K HA -0.021 4.303 4.320 0.006 0.000 0.199 356 K C 2.004 178.630 176.600 0.044 0.000 1.047 356 K CA 1.088 57.403 56.287 0.047 0.000 0.976 356 K CB -0.216 32.309 32.500 0.042 0.000 0.765 356 K HN 0.533 nan 8.250 nan 0.000 0.474 357 Q N 0.929 120.765 119.800 0.061 0.000 2.016 357 Q HA -0.116 4.227 4.340 0.006 0.000 0.200 357 Q C 2.170 178.199 176.000 0.048 0.000 0.978 357 Q CA 1.568 57.407 55.803 0.061 0.000 0.833 357 Q CB -0.204 28.581 28.738 0.078 0.000 0.895 357 Q HN 0.466 nan 8.270 nan 0.000 0.427 358 A N 1.054 123.906 122.820 0.052 0.000 1.845 358 A HA -0.190 4.133 4.320 0.006 0.000 0.215 358 A C 2.111 179.716 177.584 0.036 0.000 1.195 358 A CA 1.320 53.384 52.037 0.045 0.000 0.616 358 A CB -1.075 17.957 19.000 0.054 0.000 0.832 358 A HN 0.470 nan 8.150 nan 0.000 0.443 359 L N -0.389 120.857 121.223 0.038 0.000 2.021 359 L HA -0.248 4.095 4.340 0.006 0.000 0.215 359 L C 2.500 179.386 176.870 0.027 0.000 1.074 359 L CA 1.281 56.139 54.840 0.031 0.000 0.760 359 L CB -0.497 41.581 42.059 0.032 0.000 0.889 359 L HN 0.385 nan 8.230 nan 0.000 0.433 360 I N -0.321 120.263 120.570 0.024 0.000 2.315 360 I HA -0.154 4.020 4.170 0.006 0.000 0.248 360 I C 2.620 178.762 176.117 0.041 0.000 1.117 360 I CA 1.583 62.900 61.300 0.028 0.000 1.404 360 I CB -1.721 36.280 38.000 0.002 0.000 1.071 360 I HN 0.247 nan 8.210 nan 0.000 0.419 361 G N 0.482 109.292 108.800 0.017 0.000 2.422 361 G HA2 -0.210 3.754 3.960 0.006 0.000 0.218 361 G HA3 -0.210 3.754 3.960 0.006 0.000 0.218 361 G C 1.570 176.464 174.900 -0.010 0.000 1.140 361 G CA 0.172 45.265 45.100 -0.011 0.000 0.775 361 G HN 0.309 nan 8.290 nan 0.000 0.545 362 M N 1.247 120.852 119.600 0.009 0.000 2.628 362 M HA 0.111 4.594 4.480 0.006 0.000 0.232 362 M C 0.455 176.765 176.300 0.016 0.000 1.128 362 M CA 0.011 55.316 55.300 0.009 0.000 1.040 362 M CB 0.073 32.682 32.600 0.015 0.000 1.608 362 M HN 0.100 nan 8.290 nan 0.000 0.507 363 D N 1.043 121.463 120.400 0.032 0.000 2.487 363 D HA -0.008 4.635 4.640 0.006 0.000 0.243 363 D C 1.128 177.441 176.300 0.022 0.000 1.154 363 D CA 1.635 55.669 54.000 0.057 0.000 0.876 363 D CB 0.754 41.644 40.800 0.151 0.000 1.161 363 D HN 0.576 nan 8.370 nan 0.000 0.478 364 G N 3.460 112.273 108.800 0.021 0.000 2.199 364 G HA2 -0.337 3.627 3.960 0.006 0.000 0.254 364 G HA3 -0.337 3.627 3.960 0.006 0.000 0.254 364 G C 1.050 175.948 174.900 -0.003 0.000 0.982 364 G CA 0.411 45.513 45.100 0.003 0.000 0.632 364 G HN 0.557 nan 8.290 nan 0.000 0.529 365 L N 0.474 121.696 121.223 -0.001 0.000 2.081 365 L HA 0.063 4.407 4.340 0.006 0.000 0.212 365 L C 2.504 179.372 176.870 -0.003 0.000 1.080 365 L CA 2.812 57.649 54.840 -0.004 0.000 0.754 365 L CB -0.330 41.729 42.059 0.000 0.000 0.893 365 L HN 0.350 nan 8.230 nan 0.000 0.433 366 M N -0.897 118.702 119.600 -0.001 0.000 2.682 366 M HA -0.009 4.475 4.480 0.006 0.000 0.235 366 M C 0.924 177.222 176.300 -0.004 0.000 1.114 366 M CA 0.496 55.794 55.300 -0.002 0.000 1.053 366 M CB -1.160 31.438 32.600 -0.003 0.000 1.599 366 M HN 0.200 nan 8.290 nan 0.000 0.520 367 D N -0.382 120.015 120.400 -0.005 0.000 2.333 367 D HA 0.113 4.756 4.640 0.006 0.000 0.208 367 D C 1.661 177.957 176.300 -0.006 0.000 0.984 367 D CA 0.719 54.715 54.000 -0.006 0.000 0.873 367 D CB 0.306 41.102 40.800 -0.007 0.000 0.935 367 D HN 0.357 nan 8.370 nan 0.000 0.521 368 M N -0.393 119.203 119.600 -0.007 0.000 2.292 368 M HA 0.170 4.654 4.480 0.006 0.000 0.286 368 M C -0.394 175.904 176.300 -0.004 0.000 1.002 368 M CA 0.176 55.472 55.300 -0.007 0.000 1.029 368 M CB 2.329 34.922 32.600 -0.010 0.000 1.537 368 M HN -0.326 nan 8.290 nan 0.000 0.543 369 V N 1.536 121.449 119.914 -0.003 0.000 2.760 369 V HA 0.381 4.505 4.120 0.006 0.000 0.309 369 V C -0.896 175.199 176.094 0.000 0.000 1.077 369 V CA -0.783 61.517 62.300 0.000 0.000 0.910 369 V CB 2.166 33.990 31.823 0.002 0.000 1.008 369 V HN 0.344 nan 8.190 nan 0.000 0.424 370 Q N 4.078 123.878 119.800 0.001 0.000 2.528 370 Q HA 0.816 5.160 4.340 0.006 0.000 0.289 370 Q C -1.432 174.569 176.000 0.002 0.000 1.091 370 Q CA -1.060 54.743 55.803 0.000 0.000 0.797 370 Q CB 2.574 31.312 28.738 -0.000 0.000 1.466 370 Q HN 0.552 nan 8.270 nan 0.000 0.436 371 L N 1.143 122.365 121.223 -0.000 0.000 2.371 371 L HA 0.332 4.675 4.340 0.006 0.000 0.272 371 L C 0.231 177.101 176.870 0.000 0.000 1.124 371 L CA -0.525 54.315 54.840 -0.001 0.000 0.816 371 L CB 0.598 42.654 42.059 -0.005 0.000 1.129 371 L HN 0.593 nan 8.230 nan 0.000 0.448 372 K N 2.414 122.815 120.400 0.002 0.000 2.243 372 K HA 0.006 4.329 4.320 0.006 0.000 0.232 372 K C 0.938 177.538 176.600 -0.001 0.000 1.237 372 K CA -0.147 56.142 56.287 0.003 0.000 1.161 372 K CB 0.166 32.671 32.500 0.009 0.000 1.505 372 K HN 0.325 nan 8.250 nan 0.000 0.271 373 R N 1.470 121.970 120.500 -0.001 0.000 2.115 373 R HA -0.102 4.242 4.340 0.006 0.000 0.226 373 R C 1.056 177.357 176.300 0.001 0.000 1.100 373 R CA 1.762 57.861 56.100 -0.002 0.000 0.980 373 R CB -0.066 30.233 30.300 -0.001 0.000 0.875 373 R HN 0.424 nan 8.270 nan 0.000 0.445 374 E N -0.128 120.074 120.200 0.004 0.000 2.325 374 E HA 0.443 4.797 4.350 0.006 0.000 0.295 374 E C 0.219 176.824 176.600 0.008 0.000 1.461 374 E CA 0.143 56.547 56.400 0.007 0.000 1.698 374 E CB -0.197 29.507 29.700 0.007 0.000 1.496 374 E HN 0.605 nan 8.360 nan 0.000 0.474 375 G N -1.276 107.528 108.800 0.007 0.000 2.871 375 G HA2 0.358 4.322 3.960 0.006 0.000 0.282 375 G HA3 0.358 4.322 3.960 0.006 0.000 0.282 375 G C 0.924 175.828 174.900 0.007 0.000 1.212 375 G CA 0.326 45.432 45.100 0.010 0.000 0.812 375 G HN 0.628 nan 8.290 nan 0.000 0.547 376 V N 0.206 120.125 119.914 0.008 0.000 2.407 376 V HA -0.094 4.030 4.120 0.006 0.000 0.248 376 V C 2.733 178.802 176.094 -0.042 0.000 1.055 376 V CA 2.781 65.080 62.300 -0.002 0.000 1.049 376 V CB -0.476 31.358 31.823 0.018 0.000 0.662 376 V HN 0.669 nan 8.190 nan 0.000 0.455 377 L N 1.674 122.858 121.223 -0.066 0.000 2.043 377 L HA -0.021 4.323 4.340 0.006 0.000 0.212 377 L C 2.374 179.226 176.870 -0.030 0.000 1.075 377 L CA 2.816 57.609 54.840 -0.078 0.000 0.752 377 L CB -1.447 40.572 42.059 -0.066 0.000 0.891 377 L HN 0.332 nan 8.230 nan 0.000 0.432 378 G N -1.455 107.338 108.800 -0.011 0.000 2.422 378 G HA2 -0.239 3.725 3.960 0.006 0.000 0.218 378 G HA3 -0.239 3.725 3.960 0.006 0.000 0.218 378 G C 1.233 176.143 174.900 0.016 0.000 1.140 378 G CA 0.773 45.876 45.100 0.005 0.000 0.775 378 G HN 0.440 nan 8.290 nan 0.000 0.545 379 D N 0.290 120.698 120.400 0.014 0.000 2.117 379 D HA -0.054 4.590 4.640 0.006 0.000 0.197 379 D C 2.688 179.012 176.300 0.040 0.000 0.987 379 D CA 1.323 55.340 54.000 0.027 0.000 0.829 379 D CB -0.425 40.392 40.800 0.028 0.000 0.961 379 D HN 0.209 nan 8.370 nan 0.000 0.460 380 T N 0.191 114.765 114.554 0.032 0.000 2.904 380 T HA -0.039 4.315 4.350 0.006 0.000 0.267 380 T C 2.213 176.960 174.700 0.080 0.000 1.059 380 T CA 0.338 62.472 62.100 0.058 0.000 1.137 380 T CB -0.106 68.778 68.868 0.027 0.000 0.879 380 T HN -0.047 nan 8.240 nan 0.000 0.467 381 V N 1.769 121.717 119.914 0.057 0.000 2.295 381 V HA -0.187 3.937 4.120 0.006 0.000 0.246 381 V C 2.647 178.790 176.094 0.080 0.000 1.049 381 V CA 1.829 64.171 62.300 0.070 0.000 1.024 381 V CB -0.535 31.313 31.823 0.042 0.000 0.648 381 V HN 0.286 nan 8.190 nan 0.000 0.447 382 R N 0.445 120.982 120.500 0.063 0.000 2.091 382 R HA -0.206 4.138 4.340 0.006 0.000 0.238 382 R C 2.250 178.597 176.300 0.079 0.000 1.136 382 R CA 2.213 58.350 56.100 0.062 0.000 0.959 382 R CB -0.567 29.762 30.300 0.047 0.000 0.856 382 R HN 0.659 nan 8.270 nan 0.000 0.437 383 E N 0.077 120.331 120.200 0.089 0.000 2.012 383 E HA -0.218 4.135 4.350 0.006 0.000 0.197 383 E C 1.977 178.661 176.600 0.140 0.000 1.007 383 E CA 1.863 58.325 56.400 0.104 0.000 0.816 383 E CB -0.217 29.552 29.700 0.116 0.000 0.762 383 E HN 0.381 nan 8.360 nan 0.000 0.451 384 L N 0.643 121.977 121.223 0.184 0.000 1.997 384 L HA -0.289 4.054 4.340 0.006 0.000 0.216 384 L C 2.719 179.711 176.870 0.203 0.000 1.074 384 L CA 1.865 56.846 54.840 0.236 0.000 0.763 384 L CB -0.547 41.679 42.059 0.277 0.000 0.890 384 L HN 0.120 nan 8.230 nan 0.000 0.434 385 K N -0.149 120.347 120.400 0.162 0.000 2.074 385 K HA -0.229 4.094 4.320 0.006 0.000 0.209 385 K C 2.028 178.697 176.600 0.116 0.000 1.048 385 K CA 1.817 58.182 56.287 0.130 0.000 0.926 385 K CB -0.159 32.397 32.500 0.093 0.000 0.713 385 K HN 0.416 nan 8.250 nan 0.000 0.444 386 E N 0.121 120.385 120.200 0.107 0.000 2.072 386 E HA -0.122 4.232 4.350 0.006 0.000 0.190 386 E C 2.081 178.757 176.600 0.126 0.000 0.982 386 E CA 0.770 57.228 56.400 0.095 0.000 0.803 386 E CB 0.053 29.796 29.700 0.071 0.000 0.755 386 E HN 0.219 nan 8.360 nan 0.000 0.453 387 R N 0.539 121.128 120.500 0.149 0.000 2.120 387 R HA -0.084 4.259 4.340 0.006 0.000 0.234 387 R C 2.312 178.774 176.300 0.270 0.000 1.123 387 R CA 1.016 57.247 56.100 0.218 0.000 0.975 387 R CB -0.231 30.183 30.300 0.191 0.000 0.866 387 R HN 0.097 nan 8.270 nan 0.000 0.446 388 A N 0.641 123.581 122.820 0.200 0.000 1.855 388 A HA -0.105 4.219 4.320 0.006 0.000 0.215 388 A C 2.328 179.989 177.584 0.128 0.000 1.191 388 A CA 1.309 53.434 52.037 0.147 0.000 0.613 388 A CB -0.570 18.517 19.000 0.146 0.000 0.829 388 A HN 0.107 nan 8.150 nan 0.000 0.442 389 V N 0.208 120.193 119.914 0.119 0.000 2.407 389 V HA -0.253 3.870 4.120 0.006 0.000 0.248 389 V C 2.569 178.739 176.094 0.128 0.000 1.055 389 V CA 1.879 64.239 62.300 0.099 0.000 1.049 389 V CB -0.757 31.111 31.823 0.076 0.000 0.662 389 V HN 0.544 nan 8.190 nan 0.000 0.455 390 L N -1.414 119.911 121.223 0.169 0.000 2.017 390 L HA -0.194 4.150 4.340 0.006 0.000 0.208 390 L C 2.349 179.366 176.870 0.245 0.000 1.073 390 L CA 1.944 56.910 54.840 0.210 0.000 0.745 390 L CB -0.612 41.597 42.059 0.251 0.000 0.894 390 L HN 0.291 nan 8.230 nan 0.000 0.432 391 F N 0.212 120.120 119.950 -0.070 0.000 2.063 391 F HA -0.382 4.149 4.527 0.006 0.000 0.298 391 F C 2.627 178.323 175.800 -0.174 0.000 1.109 391 F CA 1.782 59.424 58.000 -0.598 0.000 1.212 391 F CB -0.027 38.477 39.000 -0.828 0.000 0.973 391 F HN -0.007 nan 8.300 nan 0.000 0.480 392 M N -0.541 119.206 119.600 0.245 0.000 2.296 392 M HA -0.194 4.290 4.480 0.006 0.000 0.265 392 M C 1.913 178.310 176.300 0.162 0.000 1.064 392 M CA 1.424 56.843 55.300 0.198 0.000 1.109 392 M CB -0.367 32.303 32.600 0.117 0.000 1.396 392 M HN 0.191 nan 8.290 nan 0.000 0.430 393 E N 0.197 120.481 120.200 0.141 0.000 2.110 393 E HA -0.224 4.130 4.350 0.006 0.000 0.193 393 E C 1.809 178.487 176.600 0.130 0.000 0.988 393 E CA 1.051 57.519 56.400 0.114 0.000 0.804 393 E CB 0.040 29.797 29.700 0.095 0.000 0.745 393 E HN 0.456 nan 8.360 nan 0.000 0.458 394 E N 0.320 120.619 120.200 0.165 0.000 2.274 394 E HA -0.136 4.218 4.350 0.006 0.000 0.194 394 E C 1.923 178.716 176.600 0.322 0.000 0.996 394 E CA 0.346 56.871 56.400 0.208 0.000 0.840 394 E CB 0.125 29.917 29.700 0.152 0.000 0.772 394 E HN 0.269 nan 8.360 nan 0.000 0.491 395 I N 0.831 121.581 120.570 0.300 0.000 2.179 395 I HA -0.294 3.880 4.170 0.006 0.000 0.242 395 I C 2.348 178.518 176.117 0.089 0.000 1.088 395 I CA 1.027 62.446 61.300 0.199 0.000 1.357 395 I CB -0.308 37.833 38.000 0.235 0.000 1.051 395 I HN 0.181 nan 8.210 nan 0.000 0.409 396 I N 0.700 121.326 120.570 0.093 0.000 2.226 396 I HA -0.302 3.872 4.170 0.006 0.000 0.245 396 I C 2.604 178.748 176.117 0.046 0.000 1.100 396 I CA 1.562 62.894 61.300 0.053 0.000 1.374 396 I CB -0.427 37.604 38.000 0.053 0.000 1.057 396 I HN 0.334 nan 8.210 nan 0.000 0.413 397 E N 1.345 121.588 120.200 0.072 0.000 2.274 397 E HA -0.155 4.198 4.350 0.006 0.000 0.194 397 E C 2.044 178.677 176.600 0.055 0.000 0.996 397 E CA 0.947 57.385 56.400 0.062 0.000 0.840 397 E CB 0.085 29.830 29.700 0.074 0.000 0.772 397 E HN 0.482 nan 8.360 nan 0.000 0.491 398 A N -0.127 122.725 122.820 0.054 0.000 2.218 398 A HA 0.279 4.602 4.320 0.006 0.000 0.209 398 A C 1.623 179.183 177.584 -0.040 0.000 1.168 398 A CA 0.831 52.866 52.037 -0.003 0.000 0.804 398 A CB -0.022 18.922 19.000 -0.092 0.000 0.834 398 A HN 0.446 nan 8.150 nan 0.000 0.482 399 G N -3.039 105.747 108.800 -0.024 0.000 2.175 399 G HA2 0.399 4.363 3.960 0.006 0.000 0.182 399 G HA3 0.399 4.363 3.960 0.006 0.000 0.182 399 G C 0.996 175.873 174.900 -0.038 0.000 1.003 399 G CA 0.240 45.326 45.100 -0.024 0.000 0.666 399 G HN 2.331 nan 8.290 nan 0.000 0.506 400 G N -1.945 106.826 108.800 -0.050 0.000 2.408 400 G HA2 0.296 4.259 3.960 0.006 0.000 0.682 400 G HA3 0.296 4.259 3.960 0.006 0.000 0.682 400 G C 0.117 174.964 174.900 -0.088 0.000 1.303 400 G CA 0.308 45.366 45.100 -0.070 0.000 0.966 400 G HN 1.380 nan 8.290 nan 0.000 0.560 401 Y N 0.346 120.483 120.300 -0.271 0.000 2.128 401 Y HA -0.032 4.521 4.550 0.006 0.000 0.284 401 Y C 2.745 178.544 175.900 -0.168 0.000 1.154 401 Y CA 3.117 61.058 58.100 -0.264 0.000 1.149 401 Y CB -0.365 37.799 38.460 -0.492 0.000 0.976 401 Y HN 0.474 nan 8.280 nan 0.000 0.505 402 F N 0.664 120.472 119.950 -0.237 0.000 2.065 402 F HA -0.274 4.257 4.527 0.006 0.000 0.298 402 F C 2.216 177.836 175.800 -0.301 0.000 1.112 402 F CA 1.907 59.729 58.000 -0.297 0.000 1.212 402 F CB -1.564 37.334 39.000 -0.170 0.000 0.975 402 F HN 0.164 nan 8.300 nan 0.000 0.476 403 N N -0.047 118.631 118.700 -0.037 0.000 2.104 403 N HA -0.156 4.587 4.740 0.006 0.000 0.190 403 N C 1.995 177.309 175.510 -0.326 0.000 1.024 403 N CA 1.102 54.066 53.050 -0.144 0.000 0.853 403 N CB -0.385 38.028 38.487 -0.124 0.000 1.008 403 N HN 0.250 nan 8.380 nan 0.000 0.424 404 A N 0.721 123.274 122.820 -0.445 0.000 1.917 404 A HA -0.157 4.167 4.320 0.006 0.000 0.219 404 A C 2.318 179.632 177.584 -0.449 0.000 1.182 404 A CA 1.531 53.087 52.037 -0.802 0.000 0.633 404 A CB -0.829 17.900 19.000 -0.452 0.000 0.819 404 A HN 0.146 nan 8.150 nan 0.000 0.448 405 V N -0.430 119.321 119.914 -0.272 0.000 2.591 405 V HA -0.158 3.966 4.120 0.006 0.000 0.249 405 V C 2.311 178.340 176.094 -0.107 0.000 1.053 405 V CA 1.764 63.979 62.300 -0.142 0.000 1.068 405 V CB -0.668 30.946 31.823 -0.348 0.000 0.689 405 V HN 0.583 nan 8.190 nan 0.000 0.462 406 E N 0.080 120.194 120.200 -0.143 0.000 2.150 406 E HA -0.201 4.153 4.350 0.006 0.000 0.193 406 E C 2.095 178.652 176.600 -0.071 0.000 0.985 406 E CA 0.941 57.281 56.400 -0.100 0.000 0.814 406 E CB 0.013 29.652 29.700 -0.100 0.000 0.752 406 E HN 0.665 nan 8.360 nan 0.000 0.466 407 Q N -0.912 118.819 119.800 -0.115 0.000 2.403 407 Q HA 0.070 4.414 4.340 0.006 0.000 0.203 407 Q C 0.723 176.804 176.000 0.136 0.000 0.932 407 Q CA 0.407 56.199 55.803 -0.017 0.000 0.945 407 Q CB 0.848 29.546 28.738 -0.066 0.000 1.045 407 Q HN 0.343 nan 8.270 nan 0.000 0.511 408 G N 0.411 109.280 108.800 0.114 0.000 2.160 408 G HA2 -0.252 3.712 3.960 0.006 0.000 0.244 408 G HA3 -0.252 3.712 3.960 0.006 0.000 0.244 408 G C 0.252 175.333 174.900 0.301 0.000 1.022 408 G CA -0.025 45.181 45.100 0.177 0.000 0.741 408 G HN 0.309 nan 8.290 nan 0.000 0.508 409 F N -0.332 119.608 119.950 -0.017 0.000 2.202 409 F HA 0.236 4.766 4.527 0.006 0.000 0.301 409 F C 1.678 177.373 175.800 -0.176 0.000 1.082 409 F CA 0.105 58.008 58.000 -0.161 0.000 1.313 409 F CB -0.527 38.302 39.000 -0.286 0.000 1.024 409 F HN 0.252 nan 8.300 nan 0.000 0.495 410 F N -1.111 119.006 119.950 0.278 0.000 2.379 410 F HA 0.405 4.936 4.527 0.006 0.000 0.332 410 F C 0.936 176.802 175.800 0.109 0.000 1.096 410 F CA -0.889 57.224 58.000 0.188 0.000 1.105 410 F CB 0.828 39.876 39.000 0.080 0.000 1.189 410 F HN -0.352 nan 8.300 nan 0.000 0.515 411 V N 0.731 120.811 119.914 0.276 0.000 5.497 411 V HA -0.268 3.856 4.120 0.006 0.000 0.307 411 V C -0.475 175.689 176.094 0.117 0.000 0.438 411 V CA 0.682 63.089 62.300 0.178 0.000 0.707 411 V CB -2.204 29.704 31.823 0.142 0.000 0.502 411 V HN 0.949 nan 8.190 nan 0.000 1.344 412 D N 0.938 121.403 120.400 0.108 0.000 2.249 412 D HA 0.393 5.037 4.640 0.006 0.000 0.246 412 D C 1.429 177.751 176.300 0.036 0.000 1.114 412 D CA 0.484 54.519 54.000 0.059 0.000 0.854 412 D CB 1.982 42.804 40.800 0.038 0.000 1.132 412 D HN 0.566 nan 8.370 nan 0.000 0.461 413 S N 2.123 117.827 115.700 0.006 0.000 2.465 413 S HA -0.046 4.427 4.470 0.006 0.000 0.241 413 S C 1.149 175.723 174.600 -0.042 0.000 1.000 413 S CA 0.299 58.481 58.200 -0.030 0.000 0.964 413 S CB -0.143 63.035 63.200 -0.036 0.000 0.763 413 S HN 0.460 nan 8.310 nan 0.000 0.512 414 G N 0.011 108.807 108.800 -0.007 0.000 2.537 414 G HA2 0.392 4.355 3.960 0.006 0.000 0.273 414 G HA3 0.392 4.355 3.960 0.006 0.000 0.273 414 G C -0.950 174.008 174.900 0.097 0.000 1.189 414 G CA -0.720 44.387 45.100 0.011 0.000 0.881 414 G HN 0.324 nan 8.290 nan 0.000 0.535 415 Y N 2.042 122.312 120.300 -0.051 0.000 2.751 415 Y HA 0.314 4.868 4.550 0.006 0.000 0.333 415 Y C 0.096 176.012 175.900 0.027 0.000 1.122 415 Y CA -2.448 55.649 58.100 -0.003 0.000 1.367 415 Y CB -0.924 37.528 38.460 -0.014 0.000 1.242 415 Y HN 0.473 nan 8.280 nan 0.000 0.505 416 Y N 7.819 128.128 120.300 0.015 0.000 3.032 416 Y HA -0.057 4.496 4.550 0.006 0.000 0.344 416 Y C -1.485 174.245 175.900 -0.283 0.000 1.273 416 Y CA -0.490 57.517 58.100 -0.155 0.000 1.588 416 Y CB 0.741 39.167 38.460 -0.056 0.000 1.209 416 Y HN 0.492 nan 8.280 nan 0.000 0.597 417 P HA -0.094 nan 4.420 nan 0.000 0.237 417 P C -0.563 176.282 177.300 -0.758 0.000 1.178 417 P CA 0.678 62.912 63.100 -1.443 0.000 0.766 417 P CB 0.057 31.174 31.700 -0.972 0.000 0.876 418 E N 1.481 121.420 120.200 -0.435 0.000 2.558 418 E HA -0.078 4.276 4.350 0.006 0.000 0.255 418 E C 0.056 176.518 176.600 -0.229 0.000 0.968 418 E CA 0.004 56.252 56.400 -0.255 0.000 0.939 418 E CB 0.212 29.837 29.700 -0.124 0.000 0.921 418 E HN -0.053 nan 8.360 nan 0.000 0.477 419 R N 4.508 124.878 120.500 -0.216 0.000 2.409 419 R HA 0.204 4.548 4.340 0.006 0.000 0.313 419 R C -0.328 175.907 176.300 -0.109 0.000 0.953 419 R CA -0.594 55.401 56.100 -0.174 0.000 0.849 419 R CB 0.603 30.755 30.300 -0.248 0.000 1.171 419 R HN 0.488 nan 8.270 nan 0.000 0.458 420 N N 2.663 121.322 118.700 -0.068 0.000 2.398 420 N HA 0.080 4.824 4.740 0.006 0.000 0.188 420 N C 0.778 176.268 175.510 -0.032 0.000 1.122 420 N CA 0.923 53.946 53.050 -0.044 0.000 0.866 420 N CB 0.880 39.349 38.487 -0.030 0.000 0.970 420 N HN 0.953 nan 8.380 nan 0.000 0.462 421 G N 1.687 110.467 108.800 -0.033 0.000 2.166 421 G HA2 -0.275 3.689 3.960 0.006 0.000 0.260 421 G HA3 -0.275 3.689 3.960 0.006 0.000 0.260 421 G C 0.209 175.110 174.900 0.001 0.000 0.986 421 G CA 0.700 45.791 45.100 -0.015 0.000 0.683 421 G HN 0.562 nan 8.290 nan 0.000 0.527 422 D N 0.077 120.479 120.400 0.004 0.000 2.538 422 D HA 0.364 5.008 4.640 0.006 0.000 0.231 422 D C 1.109 177.424 176.300 0.026 0.000 1.229 422 D CA 0.454 54.461 54.000 0.012 0.000 0.828 422 D CB -0.099 40.704 40.800 0.005 0.000 1.035 422 D HN 0.558 nan 8.370 nan 0.000 0.495 423 G N 0.556 109.381 108.800 0.041 0.000 2.621 423 G HA2 0.388 4.352 3.960 0.006 0.000 0.271 423 G HA3 0.388 4.352 3.960 0.006 0.000 0.271 423 G C 0.077 175.013 174.900 0.061 0.000 1.236 423 G CA -0.596 44.544 45.100 0.067 0.000 0.958 423 G HN 0.137 nan 8.290 nan 0.000 0.512 424 I N 1.050 121.662 120.570 0.069 0.000 2.371 424 I HA 0.368 4.542 4.170 0.006 0.000 0.290 424 I C 0.640 176.779 176.117 0.036 0.000 1.028 424 I CA -0.595 60.726 61.300 0.034 0.000 1.345 424 I CB 0.674 38.671 38.000 -0.004 0.000 1.407 424 I HN 0.423 nan 8.210 nan 0.000 0.501 425 A N 8.509 131.337 122.820 0.013 0.000 2.273 425 A HA 0.701 5.025 4.320 0.006 0.000 0.315 425 A C -0.114 177.452 177.584 -0.030 0.000 1.256 425 A CA -0.779 51.258 52.037 0.000 0.000 0.851 425 A CB 0.707 19.710 19.000 0.005 0.000 1.172 425 A HN 0.579 nan 8.150 nan 0.000 0.508 426 R N 1.927 122.396 120.500 -0.053 0.000 2.604 426 R HA 0.522 4.866 4.340 0.006 0.000 0.287 426 R C -0.960 175.291 176.300 -0.082 0.000 0.970 426 R CA -0.652 55.407 56.100 -0.069 0.000 0.946 426 R CB 1.272 31.521 30.300 -0.085 0.000 1.127 426 R HN 0.773 nan 8.270 nan 0.000 0.473 427 Q N 1.242 120.993 119.800 -0.082 0.000 2.241 427 Q HA 0.251 4.595 4.340 0.006 0.000 0.254 427 Q C 1.335 177.252 176.000 -0.138 0.000 0.917 427 Q CA -0.232 55.513 55.803 -0.097 0.000 0.919 427 Q CB 1.684 30.376 28.738 -0.076 0.000 1.237 427 Q HN 0.710 nan 8.270 nan 0.000 0.434 428 I N 0.262 120.724 120.570 -0.179 0.000 2.657 428 I HA -0.217 3.956 4.170 0.006 0.000 0.261 428 I C -0.098 175.855 176.117 -0.272 0.000 1.212 428 I CA 1.374 62.494 61.300 -0.300 0.000 1.453 428 I CB 0.118 37.904 38.000 -0.356 0.000 1.092 428 I HN 0.613 nan 8.210 nan 0.000 0.452 429 N N 0.279 118.873 118.700 -0.176 0.000 2.571 429 N HA 0.451 5.195 4.740 0.006 0.000 0.298 429 N C -0.237 175.213 175.510 -0.100 0.000 1.671 429 N CA -0.074 52.891 53.050 -0.142 0.000 0.900 429 N CB 0.641 39.053 38.487 -0.125 0.000 1.365 429 N HN 0.331 nan 8.380 nan 0.000 0.493 430 G N -1.408 107.336 108.800 -0.093 0.000 3.105 430 G HA2 0.823 4.787 3.960 0.006 0.000 0.277 430 G HA3 0.823 4.787 3.960 0.006 0.000 0.277 430 G C -0.128 174.741 174.900 -0.053 0.000 1.375 430 G CA -0.450 44.611 45.100 -0.064 0.000 0.962 430 G HN 0.682 nan 8.290 nan 0.000 0.541 431 G N -1.377 107.404 108.800 -0.032 0.000 2.730 431 G HA2 0.172 4.136 3.960 0.006 0.000 0.686 431 G HA3 0.172 4.136 3.960 0.006 0.000 0.686 431 G C -0.205 174.700 174.900 0.008 0.000 1.343 431 G CA -0.475 44.618 45.100 -0.012 0.000 0.826 431 G HN 1.023 nan 8.290 nan 0.000 0.582 432 I N 1.540 122.136 120.570 0.044 0.000 2.906 432 I HA 0.275 4.448 4.170 0.006 0.000 0.301 432 I C 1.895 178.038 176.117 0.045 0.000 1.221 432 I CA 1.781 63.124 61.300 0.072 0.000 1.435 432 I CB -0.582 37.514 38.000 0.159 0.000 1.345 432 I HN 2.327 nan 8.210 nan 0.000 0.558 433 G N 4.777 113.600 108.800 0.038 0.000 2.272 433 G HA2 -0.055 3.909 3.960 0.006 0.000 0.280 433 G HA3 -0.055 3.909 3.960 0.006 0.000 0.280 433 G C 0.426 175.325 174.900 -0.003 0.000 1.067 433 G CA 0.141 45.258 45.100 0.028 0.000 0.902 433 G HN 1.166 nan 8.290 nan 0.000 0.500 434 A N -0.450 122.357 122.820 -0.021 0.000 2.371 434 A HA 0.837 5.161 4.320 0.006 0.000 0.257 434 A C 1.819 179.358 177.584 -0.074 0.000 1.089 434 A CA 0.865 52.870 52.037 -0.054 0.000 0.794 434 A CB 0.498 19.463 19.000 -0.057 0.000 1.029 434 A HN 2.380 nan 8.150 nan 0.000 0.488 435 G N 1.102 109.835 108.800 -0.112 0.000 2.273 435 G HA2 -0.185 3.779 3.960 0.006 0.000 0.280 435 G HA3 -0.185 3.779 3.960 0.006 0.000 0.280 435 G C 0.497 175.261 174.900 -0.226 0.000 1.047 435 G CA 1.220 46.225 45.100 -0.158 0.000 0.869 435 G HN 2.056 nan 8.290 nan 0.000 0.502 436 T N -3.706 110.723 114.554 -0.208 0.000 3.132 436 T HA 0.507 4.861 4.350 0.006 0.000 0.274 436 T C 0.523 175.049 174.700 -0.290 0.000 1.011 436 T CA 0.248 62.215 62.100 -0.222 0.000 0.899 436 T CB 1.080 69.947 68.868 -0.001 0.000 1.089 436 T HN 0.531 nan 8.240 nan 0.000 0.543 437 V N 2.803 122.529 119.914 -0.314 0.000 2.432 437 V HA 0.451 4.575 4.120 0.006 0.000 0.271 437 V C -0.636 175.241 176.094 -0.362 0.000 1.046 437 V CA -0.543 61.643 62.300 -0.190 0.000 0.945 437 V CB -0.250 31.519 31.823 -0.090 0.000 0.992 437 V HN 0.424 nan 8.190 nan 0.000 0.471 438 F N 2.769 122.745 119.950 0.044 0.000 2.443 438 F HA 0.424 4.955 4.527 0.006 0.000 0.335 438 F C 0.559 176.381 175.800 0.036 0.000 1.104 438 F CA -0.684 57.343 58.000 0.045 0.000 1.013 438 F CB 1.299 40.337 39.000 0.064 0.000 1.136 438 F HN 0.470 nan 8.300 nan 0.000 0.470 439 E N 3.057 123.376 120.200 0.198 0.000 2.383 439 E HA 0.187 4.541 4.350 0.006 0.000 0.264 439 E C -0.458 176.207 176.600 0.109 0.000 1.050 439 E CA -0.580 55.886 56.400 0.109 0.000 0.896 439 E CB 0.705 30.451 29.700 0.077 0.000 0.982 439 E HN 0.544 nan 8.360 nan 0.000 0.424 440 R N 3.223 123.742 120.500 0.031 0.000 2.298 440 R HA 0.155 4.498 4.340 0.006 0.000 0.310 440 R C -0.579 175.772 176.300 0.087 0.000 1.068 440 R CA -0.613 55.502 56.100 0.024 0.000 0.957 440 R CB 0.627 30.863 30.300 -0.107 0.000 1.003 440 R HN 0.494 nan 8.270 nan 0.000 0.454 441 D N 1.734 122.257 120.400 0.205 0.000 2.329 441 D HA -0.060 4.583 4.640 0.006 0.000 0.246 441 D C 1.241 177.669 176.300 0.214 0.000 1.111 441 D CA -0.186 53.911 54.000 0.162 0.000 0.941 441 D CB 0.957 41.851 40.800 0.157 0.000 1.169 441 D HN 0.522 nan 8.370 nan 0.000 0.441 442 E N 1.334 121.609 120.200 0.125 0.000 2.219 442 E HA -0.228 4.125 4.350 0.006 0.000 0.198 442 E C 0.339 177.127 176.600 0.314 0.000 0.998 442 E CA 1.278 57.775 56.400 0.162 0.000 0.818 442 E CB 0.152 29.897 29.700 0.076 0.000 0.741 442 E HN 0.549 nan 8.360 nan 0.000 0.477 443 D N -1.061 119.476 120.400 0.228 0.000 2.369 443 D HA -0.102 4.542 4.640 0.006 0.000 0.211 443 D C 0.613 177.023 176.300 0.183 0.000 1.077 443 D CA -0.616 53.483 54.000 0.165 0.000 0.842 443 D CB -1.194 39.648 40.800 0.071 0.000 0.947 443 D HN 0.146 nan 8.370 nan 0.000 0.509 444 Y N 1.738 122.149 120.300 0.184 0.000 2.993 444 Y HA 0.029 4.582 4.550 0.006 0.000 0.340 444 Y C 0.179 176.119 175.900 0.066 0.000 1.273 444 Y CA 0.558 58.747 58.100 0.148 0.000 1.545 444 Y CB 0.360 38.963 38.460 0.239 0.000 1.275 444 Y HN -0.045 nan 8.280 nan 0.000 0.617 445 M N 5.041 124.103 119.600 -0.898 0.000 2.465 445 M HA 0.662 5.146 4.480 0.006 0.000 0.284 445 M C -2.077 173.758 176.300 -0.775 0.000 1.212 445 M CA -0.577 54.372 55.300 -0.586 0.000 0.910 445 M CB 2.206 34.689 32.600 -0.195 0.000 1.725 445 M HN 0.755 nan 8.290 nan 0.000 0.477 446 A N 4.704 127.237 122.820 -0.478 0.000 2.414 446 A HA 0.802 5.125 4.320 0.006 0.000 0.286 446 A C -2.783 174.626 177.584 -0.292 0.000 1.073 446 A CA -0.972 50.805 52.037 -0.433 0.000 0.727 446 A CB 1.307 19.910 19.000 -0.662 0.000 1.215 446 A HN 0.487 nan 8.150 nan 0.000 0.430 447 P HA 0.315 nan 4.420 nan 0.000 0.211 447 P C -0.323 176.898 177.300 -0.132 0.000 1.856 447 P CA -0.012 62.986 63.100 -0.170 0.000 0.962 447 P CB -0.054 31.535 31.700 -0.185 0.000 1.785 448 V N -3.500 116.342 119.914 -0.120 0.000 3.141 448 V HA 0.688 4.811 4.120 0.006 0.000 0.312 448 V C -0.014 176.038 176.094 -0.070 0.000 1.157 448 V CA -0.870 61.373 62.300 -0.094 0.000 1.041 448 V CB 1.426 33.198 31.823 -0.085 0.000 1.071 448 V HN -0.048 nan 8.190 nan 0.000 0.441 449 T N 1.177 115.665 114.554 -0.111 0.000 2.904 449 T HA 0.592 4.946 4.350 0.006 0.000 0.290 449 T C 0.765 175.392 174.700 -0.122 0.000 1.018 449 T CA 0.548 62.577 62.100 -0.119 0.000 1.075 449 T CB 1.004 69.745 68.868 -0.211 0.000 0.986 449 T HN 2.459 nan 8.240 nan 0.000 0.523 450 A N 1.061 123.856 122.820 -0.042 0.000 2.739 450 A HA -0.180 4.144 4.320 0.006 0.000 0.296 450 A C 0.068 177.702 177.584 0.083 0.000 1.488 450 A CA 0.904 52.946 52.037 0.008 0.000 0.746 450 A CB -2.581 16.350 19.000 -0.115 0.000 1.047 450 A HN 1.044 nan 8.150 nan 0.000 0.477 451 H N -1.801 117.285 119.070 0.027 0.000 2.472 451 H HA 0.640 5.199 4.556 0.006 0.000 0.335 451 H C 0.547 175.950 175.328 0.124 0.000 1.136 451 H CA -0.016 56.078 56.048 0.077 0.000 1.264 451 H CB 0.456 30.257 29.762 0.064 0.000 1.486 451 H HN 0.473 nan 8.280 nan 0.000 0.517 452 F N 2.634 122.300 119.950 -0.473 0.000 2.274 452 F HA 0.347 4.878 4.527 0.006 0.000 0.288 452 F C 1.066 176.770 175.800 -0.159 0.000 1.069 452 F CA 0.956 58.811 58.000 -0.242 0.000 1.343 452 F CB -0.168 38.706 39.000 -0.209 0.000 1.089 452 F HN 0.576 nan 8.300 nan 0.000 0.517 453 G N -1.291 107.264 108.800 -0.407 0.000 2.583 453 G HA2 0.117 4.081 3.960 0.006 0.000 0.280 453 G HA3 0.117 4.081 3.960 0.006 0.000 0.280 453 G C -1.475 173.413 174.900 -0.020 0.000 1.376 453 G CA -0.605 44.320 45.100 -0.291 0.000 1.043 453 G HN 0.224 nan 8.290 nan 0.000 0.538 454 Y N 0.987 121.236 120.300 -0.086 0.000 2.865 454 Y HA 0.068 4.622 4.550 0.006 0.000 0.338 454 Y C 0.034 176.034 175.900 0.166 0.000 1.269 454 Y CA 0.354 58.455 58.100 0.001 0.000 1.585 454 Y CB 0.136 38.582 38.460 -0.024 0.000 1.224 454 Y HN 0.359 nan 8.280 nan 0.000 0.554 455 N N 5.514 123.962 118.700 -0.420 0.000 2.609 455 N HA 0.089 4.833 4.740 0.006 0.000 0.268 455 N C -1.754 173.526 175.510 -0.382 0.000 1.106 455 N CA -0.643 52.278 53.050 -0.214 0.000 0.823 455 N CB 0.209 38.693 38.487 -0.006 0.000 1.263 455 N HN 0.625 nan 8.380 nan 0.000 0.533 456 N N 3.138 121.595 118.700 -0.405 0.000 2.400 456 N HA 0.085 4.828 4.740 0.006 0.000 0.267 456 N C 0.222 175.704 175.510 -0.047 0.000 1.208 456 N CA 0.183 53.105 53.050 -0.214 0.000 0.951 456 N CB 0.557 39.007 38.487 -0.062 0.000 1.227 456 N HN 0.288 nan 8.380 nan 0.000 0.488 457 V N 4.011 123.907 119.914 -0.030 0.000 3.013 457 V HA 0.041 4.164 4.120 0.006 0.000 0.238 457 V C 2.122 178.261 176.094 0.074 0.000 1.161 457 V CA 0.260 62.594 62.300 0.056 0.000 1.170 457 V CB -0.415 31.411 31.823 0.005 0.000 0.917 457 V HN 0.632 nan 8.190 nan 0.000 0.478 458 K N 0.964 121.372 120.400 0.014 0.000 2.137 458 K HA -0.396 3.928 4.320 0.006 0.000 0.216 458 K C 2.112 178.700 176.600 -0.021 0.000 1.052 458 K CA 2.785 59.074 56.287 0.003 0.000 0.939 458 K CB -0.250 32.244 32.500 -0.009 0.000 0.724 458 K HN 0.766 nan 8.250 nan 0.000 0.465 459 Q N -1.511 118.248 119.800 -0.070 0.000 2.443 459 Q HA -0.201 4.142 4.340 0.006 0.000 0.213 459 Q C 0.858 176.621 176.000 -0.395 0.000 0.982 459 Q CA 1.707 57.370 55.803 -0.233 0.000 0.894 459 Q CB -0.114 28.433 28.738 -0.318 0.000 0.947 459 Q HN 0.500 nan 8.270 nan 0.000 0.480 460 Y N -0.758 119.524 120.300 -0.030 0.000 2.467 460 Y HA 0.319 4.873 4.550 0.006 0.000 0.259 460 Y C -0.238 175.647 175.900 -0.025 0.000 1.084 460 Y CA -0.287 57.795 58.100 -0.030 0.000 1.275 460 Y CB 1.350 39.785 38.460 -0.041 0.000 1.208 460 Y HN 0.079 nan 8.280 nan 0.000 0.511 461 D N -0.274 120.190 120.400 0.107 0.000 2.365 461 D HA 0.040 4.684 4.640 0.006 0.000 0.131 461 D C 0.098 176.420 176.300 0.037 0.000 1.072 461 D CA 0.755 54.791 54.000 0.060 0.000 1.280 461 D CB 0.130 40.968 40.800 0.063 0.000 2.399 461 D HN 0.272 nan 8.370 nan 0.000 0.669 462 E N 1.345 121.557 120.200 0.020 0.000 2.510 462 E HA 0.164 4.518 4.350 0.006 0.000 0.202 462 E C 1.424 178.030 176.600 0.011 0.000 1.072 462 E CA 1.313 57.720 56.400 0.012 0.000 0.883 462 E CB -0.048 29.656 29.700 0.007 0.000 0.818 462 E HN 0.497 nan 8.360 nan 0.000 0.548 463 A N -0.755 122.074 122.820 0.014 0.000 2.220 463 A HA 0.424 4.748 4.320 0.006 0.000 0.211 463 A C 1.440 179.030 177.584 0.010 0.000 1.176 463 A CA 0.283 52.327 52.037 0.011 0.000 0.834 463 A CB 0.469 19.475 19.000 0.011 0.000 0.868 463 A HN 0.362 nan 8.150 nan 0.000 0.488 464 L N -0.659 120.571 121.223 0.011 0.000 2.769 464 L HA 0.226 4.570 4.340 0.006 0.000 0.240 464 L C 1.787 178.658 176.870 0.002 0.000 1.163 464 L CA 0.381 55.224 54.840 0.005 0.000 0.962 464 L CB -0.193 41.866 42.059 0.001 0.000 1.258 464 L HN 0.166 nan 8.230 nan 0.000 0.513 465 V N 0.134 120.050 119.914 0.004 0.000 2.407 465 V HA -0.271 3.852 4.120 0.006 0.000 0.248 465 V C 2.373 178.467 176.094 0.001 0.000 1.055 465 V CA 2.181 64.479 62.300 -0.002 0.000 1.049 465 V CB -0.013 31.808 31.823 -0.003 0.000 0.662 465 V HN 0.702 nan 8.190 nan 0.000 0.455 466 S N -0.748 114.956 115.700 0.007 0.000 2.402 466 S HA -0.051 4.423 4.470 0.006 0.000 0.229 466 S C 1.000 175.610 174.600 0.017 0.000 1.021 466 S CA 0.905 59.113 58.200 0.014 0.000 0.974 466 S CB -0.056 63.154 63.200 0.017 0.000 0.800 466 S HN 0.638 nan 8.310 nan 0.000 0.484 467 E N 0.805 121.011 120.200 0.009 0.000 3.935 467 E HA 0.268 4.622 4.350 0.006 0.000 0.226 467 E C -2.388 174.205 176.600 -0.012 0.000 1.220 467 E CA -1.781 54.624 56.400 0.007 0.000 1.226 467 E CB 1.193 30.900 29.700 0.012 0.000 1.237 467 E HN 0.206 nan 8.360 nan 0.000 0.417 468 P HA -0.263 nan 4.420 nan 0.000 0.218 468 P C 1.566 178.828 177.300 -0.063 0.000 1.147 468 P CA 1.615 64.686 63.100 -0.048 0.000 0.827 468 P CB 0.216 31.886 31.700 -0.051 0.000 0.778 469 S N -0.128 115.542 115.700 -0.049 0.000 2.353 469 S HA -0.222 4.251 4.470 0.006 0.000 0.222 469 S C 1.806 176.376 174.600 -0.051 0.000 1.035 469 S CA 1.272 59.439 58.200 -0.055 0.000 1.025 469 S CB -1.131 62.044 63.200 -0.042 0.000 0.902 469 S HN 0.180 nan 8.310 nan 0.000 0.440 470 K N 0.756 121.135 120.400 -0.034 0.000 2.107 470 K HA -0.136 4.187 4.320 0.006 0.000 0.211 470 K C 1.895 178.465 176.600 -0.050 0.000 1.049 470 K CA 1.455 57.723 56.287 -0.031 0.000 0.927 470 K CB -0.692 31.797 32.500 -0.018 0.000 0.714 470 K HN 0.181 nan 8.250 nan 0.000 0.452 471 L N 0.839 122.020 121.223 -0.069 0.000 2.283 471 L HA -0.187 4.157 4.340 0.006 0.000 0.217 471 L C 1.812 178.616 176.870 -0.110 0.000 1.104 471 L CA 1.687 56.465 54.840 -0.104 0.000 0.772 471 L CB -0.415 41.553 42.059 -0.152 0.000 0.899 471 L HN 0.349 nan 8.230 nan 0.000 0.439 472 I N -6.393 114.122 120.570 -0.091 0.000 4.160 472 I HA 0.309 4.483 4.170 0.006 0.000 0.325 472 I C -0.562 175.521 176.117 -0.057 0.000 1.455 472 I CA -0.313 60.938 61.300 -0.081 0.000 1.142 472 I CB 0.373 38.319 38.000 -0.090 0.000 1.262 472 I HN -0.139 nan 8.210 nan 0.000 0.483 473 D N 2.630 123.002 120.400 -0.047 0.000 2.778 473 D HA -0.082 4.562 4.640 0.006 0.000 0.246 473 D C 0.658 176.942 176.300 -0.027 0.000 1.107 473 D CA 1.791 55.773 54.000 -0.031 0.000 0.732 473 D CB -1.269 39.515 40.800 -0.026 0.000 1.055 473 D HN 1.071 nan 8.370 nan 0.000 0.429 474 G N -1.002 107.781 108.800 -0.030 0.000 2.981 474 G HA2 -0.044 3.920 3.960 0.006 0.000 0.686 474 G HA3 -0.044 3.920 3.960 0.006 0.000 0.686 474 G C 0.733 175.607 174.900 -0.043 0.000 1.068 474 G CA -0.227 44.857 45.100 -0.027 0.000 0.806 474 G HN 1.130 nan 8.290 nan 0.000 0.568 475 C N 1.125 120.389 119.300 -0.060 0.000 2.365 475 C HA 0.867 5.330 4.460 0.006 0.000 0.374 475 C C 2.448 177.398 174.990 -0.067 0.000 1.318 475 C CA 0.548 59.521 59.018 -0.075 0.000 2.239 475 C CB 0.769 28.446 27.740 -0.106 0.000 2.144 475 C HN 1.883 nan 8.230 nan 0.000 0.581 476 T N -0.659 113.856 114.554 -0.066 0.000 2.918 476 T HA -0.159 4.195 4.350 0.006 0.000 0.271 476 T C 1.353 176.023 174.700 -0.051 0.000 1.104 476 T CA 1.604 63.678 62.100 -0.043 0.000 1.114 476 T CB -0.760 68.091 68.868 -0.029 0.000 0.855 476 T HN 0.674 nan 8.240 nan 0.000 0.518 477 L N -0.207 120.931 121.223 -0.141 0.000 2.217 477 L HA 0.057 4.400 4.340 0.006 0.000 0.211 477 L C 2.692 179.591 176.870 0.049 0.000 1.107 477 L CA 1.291 56.010 54.840 -0.202 0.000 0.783 477 L CB -0.409 41.196 42.059 -0.757 0.000 0.919 477 L HN 0.289 nan 8.230 nan 0.000 0.442 478 E N -0.919 119.293 120.200 0.020 0.000 2.251 478 E HA 0.046 4.400 4.350 0.006 0.000 0.194 478 E C 0.206 176.834 176.600 0.046 0.000 0.964 478 E CA 0.287 56.728 56.400 0.068 0.000 0.868 478 E CB 0.621 30.347 29.700 0.044 0.000 0.828 478 E HN 0.047 nan 8.360 nan 0.000 0.481 479 V N 2.554 122.479 119.914 0.019 0.000 2.315 479 V HA 0.168 4.292 4.120 0.006 0.000 0.265 479 V C -2.091 174.010 176.094 0.012 0.000 1.019 479 V CA -1.134 61.173 62.300 0.013 0.000 0.824 479 V CB 1.300 33.123 31.823 0.001 0.000 1.072 479 V HN 0.035 nan 8.190 nan 0.000 0.448 480 P HA -0.165 nan 4.420 nan 0.000 0.218 480 P C 1.272 178.582 177.300 0.017 0.000 1.146 480 P CA 1.189 64.302 63.100 0.021 0.000 0.820 480 P CB 0.417 32.125 31.700 0.014 0.000 0.778 481 E N -0.550 119.657 120.200 0.011 0.000 2.265 481 E HA -0.131 4.222 4.350 0.006 0.000 0.196 481 E C 1.563 178.172 176.600 0.014 0.000 0.996 481 E CA 0.931 57.337 56.400 0.011 0.000 0.832 481 E CB -0.574 29.129 29.700 0.006 0.000 0.756 481 E HN 0.311 nan 8.360 nan 0.000 0.491 482 K N 0.104 120.510 120.400 0.010 0.000 2.486 482 K HA 0.097 4.420 4.320 0.006 0.000 0.194 482 K C 0.159 176.768 176.600 0.014 0.000 1.033 482 K CA 0.071 56.361 56.287 0.006 0.000 1.004 482 K CB 0.142 32.638 32.500 -0.007 0.000 0.798 482 K HN 0.162 nan 8.250 nan 0.000 0.495 483 I N 1.624 122.211 120.570 0.028 0.000 2.575 483 I HA -0.014 4.160 4.170 0.006 0.000 0.285 483 I C 0.029 176.185 176.117 0.065 0.000 1.085 483 I CA -0.480 60.848 61.300 0.045 0.000 1.403 483 I CB 1.268 39.307 38.000 0.065 0.000 1.409 483 I HN -0.271 nan 8.210 nan 0.000 0.557 484 V N 6.755 126.706 119.914 0.061 0.000 2.288 484 V HA 0.095 4.218 4.120 0.006 0.000 0.266 484 V C -0.303 175.849 176.094 0.096 0.000 1.048 484 V CA -0.676 61.666 62.300 0.070 0.000 0.842 484 V CB -0.040 31.803 31.823 0.034 0.000 1.064 484 V HN 0.444 nan 8.190 nan 0.000 0.472 485 Y N 5.731 126.044 120.300 0.022 0.000 2.605 485 Y HA 0.291 4.844 4.550 0.006 0.000 0.336 485 Y C 0.351 176.265 175.900 0.024 0.000 1.111 485 Y CA -0.085 58.032 58.100 0.028 0.000 1.422 485 Y CB 0.321 38.801 38.460 0.034 0.000 1.193 485 Y HN 0.455 nan 8.280 nan 0.000 0.526 486 I N 6.880 127.245 120.570 -0.342 0.000 2.336 486 I HA 0.058 4.231 4.170 0.006 0.000 0.292 486 I C 0.453 176.316 176.117 -0.423 0.000 0.991 486 I CA -0.169 60.986 61.300 -0.242 0.000 1.227 486 I CB 1.641 39.550 38.000 -0.152 0.000 1.366 486 I HN 0.732 nan 8.210 nan 0.000 0.466 487 D N 4.209 124.538 120.400 -0.118 0.000 2.202 487 D HA 0.016 4.659 4.640 0.006 0.000 0.214 487 D C 0.171 176.460 176.300 -0.017 0.000 0.967 487 D CA 1.315 55.319 54.000 0.006 0.000 0.871 487 D CB 0.719 41.645 40.800 0.210 0.000 1.020 487 D HN 0.469 nan 8.370 nan 0.000 0.474 488 E N -0.726 119.471 120.200 -0.004 0.000 2.430 488 E HA 0.330 4.683 4.350 0.006 0.000 0.279 488 E C -0.571 176.026 176.600 -0.004 0.000 1.003 488 E CA -0.451 55.949 56.400 -0.000 0.000 0.801 488 E CB 1.850 31.566 29.700 0.025 0.000 1.313 488 E HN 0.054 nan 8.360 nan 0.000 0.459 489 L N -0.053 121.168 121.223 -0.002 0.000 3.521 489 L HA 0.350 4.694 4.340 0.006 0.000 0.323 489 L C -0.193 176.678 176.870 0.003 0.000 1.268 489 L CA -0.014 54.824 54.840 -0.002 0.000 1.064 489 L CB 0.900 42.953 42.059 -0.010 0.000 1.455 489 L HN 0.249 nan 8.230 nan 0.000 0.622 490 D N 0.845 121.250 120.400 0.009 0.000 2.855 490 D HA 0.255 4.899 4.640 0.006 0.000 0.241 490 D C 0.601 176.909 176.300 0.014 0.000 1.277 490 D CA 0.382 54.388 54.000 0.011 0.000 0.918 490 D CB 2.393 43.200 40.800 0.013 0.000 1.462 490 D HN 0.111 nan 8.370 nan 0.000 0.559 491 E N 2.294 122.501 120.200 0.012 0.000 2.478 491 E HA -0.075 4.278 4.350 0.006 0.000 0.198 491 E C 0.844 177.452 176.600 0.014 0.000 1.046 491 E CA 1.034 57.442 56.400 0.014 0.000 0.870 491 E CB -0.542 29.165 29.700 0.012 0.000 0.818 491 E HN 0.629 nan 8.360 nan 0.000 0.527 492 N N -1.092 117.616 118.700 0.013 0.000 2.113 492 N HA 0.099 4.842 4.740 0.006 0.000 0.223 492 N C -0.407 175.109 175.510 0.011 0.000 1.310 492 N CA 0.052 53.108 53.050 0.011 0.000 0.896 492 N CB 1.025 39.518 38.487 0.010 0.000 1.097 492 N HN 0.082 nan 8.380 nan 0.000 0.507 493 D N 1.157 121.565 120.400 0.014 0.000 2.432 493 D HA 0.246 4.889 4.640 0.006 0.000 0.265 493 D C -1.211 175.104 176.300 0.024 0.000 1.160 493 D CA -0.275 53.735 54.000 0.016 0.000 0.911 493 D CB -0.065 40.747 40.800 0.021 0.000 1.052 493 D HN 0.387 nan 8.370 nan 0.000 0.508 494 N N -0.706 118.009 118.700 0.026 0.000 3.339 494 N HA 0.108 4.852 4.740 0.006 0.000 0.275 494 N C -0.217 175.326 175.510 0.056 0.000 1.514 494 N CA -0.835 52.245 53.050 0.049 0.000 0.879 494 N CB 0.804 39.319 38.487 0.048 0.000 1.557 494 N HN -0.153 nan 8.380 nan 0.000 0.524 495 V N 0.202 120.181 119.914 0.109 0.000 2.488 495 V HA -0.086 4.037 4.120 0.006 0.000 0.246 495 V C 1.152 177.272 176.094 0.045 0.000 1.046 495 V CA 1.471 63.837 62.300 0.109 0.000 1.053 495 V CB -0.989 30.997 31.823 0.271 0.000 0.679 495 V HN 0.630 nan 8.190 nan 0.000 0.458 496 N N 0.312 119.043 118.700 0.053 0.000 2.084 496 N HA -0.135 4.608 4.740 0.006 0.000 0.190 496 N C 1.786 177.305 175.510 0.014 0.000 1.030 496 N CA 1.836 54.906 53.050 0.033 0.000 0.849 496 N CB -0.595 37.916 38.487 0.039 0.000 1.012 496 N HN 0.425 nan 8.380 nan 0.000 0.423 497 V N 1.675 121.597 119.914 0.012 0.000 2.261 497 V HA -0.200 3.924 4.120 0.006 0.000 0.246 497 V C 2.604 178.690 176.094 -0.013 0.000 1.047 497 V CA 1.533 63.834 62.300 0.002 0.000 1.015 497 V CB -0.521 31.303 31.823 0.002 0.000 0.642 497 V HN 0.259 nan 8.190 nan 0.000 0.446 498 R N -0.910 119.572 120.500 -0.031 0.000 2.091 498 R HA -0.171 4.173 4.340 0.006 0.000 0.238 498 R C 2.394 178.654 176.300 -0.066 0.000 1.136 498 R CA 1.740 57.798 56.100 -0.070 0.000 0.959 498 R CB -0.197 30.035 30.300 -0.113 0.000 0.856 498 R HN 0.383 nan 8.270 nan 0.000 0.437 499 M N 0.188 119.758 119.600 -0.050 0.000 2.064 499 M HA -0.169 4.315 4.480 0.006 0.000 0.260 499 M C 2.141 178.433 176.300 -0.012 0.000 1.073 499 M CA 1.441 56.716 55.300 -0.042 0.000 1.124 499 M CB -0.857 31.725 32.600 -0.031 0.000 1.326 499 M HN 0.155 nan 8.290 nan 0.000 0.410 500 E N 0.663 120.861 120.200 -0.002 0.000 2.147 500 E HA -0.238 4.116 4.350 0.006 0.000 0.199 500 E C 1.731 178.343 176.600 0.020 0.000 1.005 500 E CA 1.240 57.646 56.400 0.010 0.000 0.810 500 E CB -0.199 29.507 29.700 0.009 0.000 0.736 500 E HN 0.451 nan 8.360 nan 0.000 0.460 501 E N -0.478 119.730 120.200 0.013 0.000 2.333 501 E HA -0.148 4.206 4.350 0.006 0.000 0.200 501 E C 0.956 177.592 176.600 0.060 0.000 1.010 501 E CA 1.494 57.909 56.400 0.025 0.000 0.841 501 E CB 0.069 29.772 29.700 0.005 0.000 0.757 501 E HN 0.270 nan 8.360 nan 0.000 0.508 502 T N -4.632 109.962 114.554 0.065 0.000 3.393 502 T HA 0.291 4.645 4.350 0.006 0.000 0.298 502 T C 1.085 175.880 174.700 0.158 0.000 1.004 502 T CA 0.233 62.421 62.100 0.146 0.000 0.956 502 T CB 0.742 69.653 68.868 0.071 0.000 1.182 502 T HN 0.019 nan 8.240 nan 0.000 0.497 503 K N 0.781 121.235 120.400 0.090 0.000 2.362 503 K HA 0.218 4.542 4.320 0.006 0.000 0.200 503 K C 2.147 178.778 176.600 0.052 0.000 1.046 503 K CA 1.494 57.816 56.287 0.059 0.000 0.952 503 K CB -1.537 30.979 32.500 0.026 0.000 0.753 503 K HN 0.819 nan 8.250 nan 0.000 0.466 504 E N -0.314 119.925 120.200 0.065 0.000 2.265 504 E HA -0.014 4.339 4.350 0.006 0.000 0.196 504 E C 1.553 178.009 176.600 -0.241 0.000 0.996 504 E CA 1.311 57.653 56.400 -0.097 0.000 0.832 504 E CB -0.640 28.968 29.700 -0.153 0.000 0.756 504 E HN 0.792 nan 8.360 nan 0.000 0.491 505 F N -1.134 118.811 119.950 -0.008 0.000 2.678 505 F HA 0.342 4.873 4.527 0.005 0.000 0.305 505 F C 1.329 177.120 175.800 -0.016 0.000 1.090 505 F CA -0.215 57.779 58.000 -0.010 0.000 1.272 505 F CB 0.787 39.782 39.000 -0.009 0.000 1.060 505 F HN 0.014 nan 8.300 nan 0.000 0.576 510 M N 2.079 121.644 119.600 -0.059 0.000 2.163 510 M HA 0.619 5.103 4.480 0.006 0.000 0.305 510 M C 0.119 176.489 176.300 0.116 0.000 1.166 510 M CA -0.549 54.724 55.300 -0.045 0.000 1.132 510 M CB 0.535 32.967 32.600 -0.279 0.000 1.413 510 M HN 0.597 nan 8.290 nan 0.000 0.478 511 I N 0.765 121.468 120.570 0.222 0.000 2.785 511 I HA 0.392 4.566 4.170 0.006 0.000 0.293 511 I C -1.540 174.715 176.117 0.232 0.000 1.446 511 I CA -0.474 60.971 61.300 0.242 0.000 1.028 511 I CB 2.031 40.097 38.000 0.110 0.000 1.349 511 I HN 0.797 nan 8.210 nan 0.000 0.438 512 K N 5.567 126.039 120.400 0.119 0.000 2.499 512 K HA 0.725 5.049 4.320 0.006 0.000 0.277 512 K C -3.067 173.486 176.600 -0.078 0.000 1.025 512 K CA -1.689 54.603 56.287 0.008 0.000 0.900 512 K CB 1.259 33.745 32.500 -0.022 0.000 1.494 512 K HN 0.147 nan 8.250 nan 0.000 0.442 513 P HA 0.025 nan 4.420 nan 0.000 0.268 513 P C -1.252 175.941 177.300 -0.179 0.000 1.204 513 P CA 0.093 63.112 63.100 -0.136 0.000 0.768 513 P CB 0.556 32.162 31.700 -0.156 0.000 0.842 514 E N 0.815 120.917 120.200 -0.164 0.000 2.392 514 E HA 0.444 4.798 4.350 0.006 0.000 0.269 514 E C -0.338 176.101 176.600 -0.269 0.000 0.924 514 E CA -0.988 55.300 56.400 -0.186 0.000 0.784 514 E CB 1.631 31.290 29.700 -0.069 0.000 1.292 514 E HN 0.154 nan 8.360 nan 0.000 0.447 515 V N -1.939 117.702 119.914 -0.454 0.000 3.539 515 V HA 0.262 4.386 4.120 0.006 0.000 0.262 515 V C 1.005 176.649 176.094 -0.749 0.000 1.381 515 V CA 1.190 63.048 62.300 -0.738 0.000 1.060 515 V CB -0.393 30.410 31.823 -1.700 0.000 0.842 515 V HN 0.915 nan 8.190 nan 0.000 0.445 516 E N -2.259 117.613 120.200 -0.546 0.000 2.756 516 E HA 0.117 4.471 4.350 0.006 0.000 0.218 516 E C -0.133 176.524 176.600 0.095 0.000 1.042 516 E CA -0.431 55.679 56.400 -0.483 0.000 1.713 516 E CB 0.144 29.553 29.700 -0.485 0.000 2.443 516 E HN 0.419 nan 8.360 nan 0.000 1.080 517 W N 3.179 124.424 121.300 -0.090 0.000 2.551 517 W HA 0.476 5.139 4.660 0.006 0.000 0.330 517 W C 0.175 176.641 176.519 -0.089 0.000 1.063 517 W CA -1.672 55.635 57.345 -0.063 0.000 1.222 517 W CB 0.986 30.398 29.460 -0.080 0.000 1.349 517 W HN 0.122 nan 8.180 nan 0.000 0.536 518 Q N 1.823 121.698 119.800 0.126 0.000 2.478 518 Q HA 0.176 4.519 4.340 0.006 0.000 0.323 518 Q C 1.011 176.925 176.000 -0.144 0.000 1.087 518 Q CA 1.391 57.181 55.803 -0.022 0.000 1.056 518 Q CB 0.217 28.928 28.738 -0.046 0.000 1.018 518 Q HN 0.688 nan 8.270 nan 0.000 0.387 519 A N 4.076 126.747 122.820 -0.249 0.000 2.745 519 A HA -0.248 4.075 4.320 0.006 0.000 0.296 519 A C 0.578 177.985 177.584 -0.294 0.000 1.500 519 A CA 1.141 52.912 52.037 -0.444 0.000 0.766 519 A CB -1.810 16.541 19.000 -1.081 0.000 1.030 519 A HN 1.032 nan 8.150 nan 0.000 0.489 520 D N -1.350 118.953 120.400 -0.162 0.000 2.312 520 D HA 0.287 4.931 4.640 0.006 0.000 0.211 520 D C 1.559 177.749 176.300 -0.184 0.000 0.964 520 D CA 1.246 55.172 54.000 -0.123 0.000 0.877 520 D CB -0.572 40.166 40.800 -0.104 0.000 0.924 520 D HN 1.922 nan 8.370 nan 0.000 0.515 521 G N -0.942 107.725 108.800 -0.223 0.000 2.148 521 G HA2 -0.259 3.704 3.960 0.006 0.000 0.254 521 G HA3 -0.259 3.704 3.960 0.006 0.000 0.254 521 G C 0.268 175.025 174.900 -0.237 0.000 0.981 521 G CA 0.483 45.448 45.100 -0.225 0.000 0.670 521 G HN 0.506 nan 8.290 nan 0.000 0.528 522 T N 0.411 114.790 114.554 -0.292 0.000 2.882 522 T HA 0.648 5.002 4.350 0.006 0.000 0.287 522 T C 0.473 174.958 174.700 -0.358 0.000 0.992 522 T CA 0.255 62.155 62.100 -0.334 0.000 1.076 522 T CB 2.215 70.807 68.868 -0.460 0.000 0.961 522 T HN 1.458 nan 8.240 nan 0.000 0.490 523 V N 1.298 121.068 119.914 -0.240 0.000 3.130 523 V HA 0.849 4.972 4.120 0.006 0.000 0.310 523 V C -1.315 174.791 176.094 0.020 0.000 1.158 523 V CA -1.369 60.843 62.300 -0.147 0.000 1.029 523 V CB 1.948 33.724 31.823 -0.078 0.000 1.057 523 V HN 0.700 nan 8.190 nan 0.000 0.436 524 L N 2.789 124.101 121.223 0.148 0.000 2.298 524 L HA 0.798 5.141 4.340 0.006 0.000 0.284 524 L C -0.886 176.073 176.870 0.148 0.000 1.013 524 L CA -0.380 54.623 54.840 0.271 0.000 0.824 524 L CB 1.172 43.501 42.059 0.450 0.000 1.221 524 L HN 0.890 nan 8.230 nan 0.000 0.418 525 L N 4.804 126.095 121.223 0.114 0.000 2.322 525 L HA 0.771 5.114 4.340 0.006 0.000 0.281 525 L C -0.787 176.120 176.870 0.062 0.000 1.014 525 L CA 0.336 55.221 54.840 0.075 0.000 0.815 525 L CB 2.030 44.126 42.059 0.061 0.000 1.247 525 L HN 0.732 nan 8.230 nan 0.000 0.421 526 T N 6.462 121.046 114.554 0.051 0.000 2.985 526 T HA 0.567 4.921 4.350 0.006 0.000 0.315 526 T C -0.414 174.307 174.700 0.035 0.000 1.001 526 T CA -0.517 61.610 62.100 0.044 0.000 1.016 526 T CB 0.900 69.800 68.868 0.052 0.000 0.993 526 T HN 0.721 nan 8.240 nan 0.000 0.454 527 M N 1.481 121.098 119.600 0.029 0.000 2.719 527 M HA 0.876 5.360 4.480 0.006 0.000 0.291 527 M C -1.705 174.649 176.300 0.090 0.000 1.264 527 M CA -1.262 54.053 55.300 0.025 0.000 0.811 527 M CB 2.321 34.887 32.600 -0.057 0.000 1.756 527 M HN 0.418 nan 8.290 nan 0.000 0.464 528 F N 1.817 121.727 119.950 -0.067 0.000 2.493 528 F HA 0.757 5.287 4.527 0.005 0.000 0.329 528 F C -2.229 173.530 175.800 -0.067 0.000 1.126 528 F CA -0.727 57.242 58.000 -0.051 0.000 0.937 528 F CB 1.382 40.359 39.000 -0.038 0.000 1.146 528 F HN 0.549 nan 8.300 nan 0.000 0.442 529 L N 7.648 128.398 121.223 -0.788 0.000 2.346 529 L HA 0.493 4.837 4.340 0.006 0.000 0.276 529 L C -2.195 174.122 176.870 -0.922 0.000 1.006 529 L CA -1.975 52.461 54.840 -0.673 0.000 0.817 529 L CB 2.185 44.074 42.059 -0.285 0.000 1.272 529 L HN 0.473 nan 8.230 nan 0.000 0.421 530 P HA 0.098 nan 4.420 nan 0.000 0.235 530 P C -0.209 177.001 177.300 -0.150 0.000 1.725 530 P CA 0.271 63.180 63.100 -0.318 0.000 0.894 530 P CB 0.259 31.917 31.700 -0.071 0.000 1.704 531 T N -1.560 112.896 114.554 -0.163 0.000 2.693 531 T HA 0.481 4.834 4.350 0.006 0.000 0.278 531 T C -0.189 174.482 174.700 -0.048 0.000 0.994 531 T CA -0.494 61.567 62.100 -0.065 0.000 1.033 531 T CB 0.795 69.644 68.868 -0.032 0.000 1.342 531 T HN 0.010 nan 8.240 nan 0.000 0.538 532 S N 0.609 116.301 115.700 -0.013 0.000 2.587 532 S HA 0.150 4.623 4.470 0.006 0.000 0.260 532 S C 1.457 176.058 174.600 0.001 0.000 1.353 532 S CA 0.459 58.660 58.200 0.002 0.000 0.995 532 S CB 0.397 63.606 63.200 0.016 0.000 0.912 532 S HN 0.888 nan 8.310 nan 0.000 0.568 533 K N 1.215 121.621 120.400 0.010 0.000 2.032 533 K HA -0.166 4.158 4.320 0.006 0.000 0.209 533 K C 2.399 179.017 176.600 0.030 0.000 1.048 533 K CA 1.426 57.719 56.287 0.010 0.000 0.927 533 K CB -0.259 32.250 32.500 0.014 0.000 0.712 533 K HN 0.708 nan 8.250 nan 0.000 0.441 534 R N 0.345 120.883 120.500 0.063 0.000 2.062 534 R HA -0.028 4.315 4.340 0.006 0.000 0.226 534 R C 2.111 178.529 176.300 0.197 0.000 1.125 534 R CA 1.243 57.424 56.100 0.134 0.000 0.966 534 R CB -0.060 30.329 30.300 0.149 0.000 0.861 534 R HN 0.120 nan 8.270 nan 0.000 0.433 535 V N 1.096 121.086 119.914 0.127 0.000 2.828 535 V HA -0.191 3.932 4.120 0.006 0.000 0.260 535 V C 2.182 178.344 176.094 0.114 0.000 1.101 535 V CA 1.737 64.108 62.300 0.119 0.000 1.123 535 V CB -0.658 31.198 31.823 0.056 0.000 0.704 535 V HN 0.449 nan 8.190 nan 0.000 0.493 536 A N -0.169 122.694 122.820 0.071 0.000 1.943 536 A HA -0.065 4.259 4.320 0.006 0.000 0.213 536 A C 2.271 179.878 177.584 0.038 0.000 1.181 536 A CA 0.996 53.051 52.037 0.030 0.000 0.653 536 A CB -0.270 18.703 19.000 -0.045 0.000 0.833 536 A HN 0.529 nan 8.150 nan 0.000 0.451 537 E N -0.831 119.377 120.200 0.013 0.000 2.058 537 E HA -0.209 4.145 4.350 0.006 0.000 0.194 537 E C 1.447 177.956 176.600 -0.152 0.000 0.997 537 E CA 1.587 57.924 56.400 -0.105 0.000 0.801 537 E CB -0.229 29.355 29.700 -0.193 0.000 0.746 537 E HN 0.615 nan 8.360 nan 0.000 0.450 538 F N -0.011 119.951 119.950 0.021 0.000 2.416 538 F HA 0.152 4.683 4.527 0.005 0.000 0.296 538 F C 2.250 178.065 175.800 0.024 0.000 1.099 538 F CA 0.675 58.685 58.000 0.017 0.000 1.427 538 F CB -0.127 38.874 39.000 0.003 0.000 1.079 538 F HN 0.101 nan 8.300 nan 0.000 0.536 539 A N 0.080 123.022 122.820 0.202 0.000 1.930 539 A HA -0.009 4.315 4.320 0.006 0.000 0.217 539 A C 2.384 180.131 177.584 0.272 0.000 1.175 539 A CA 1.474 53.612 52.037 0.170 0.000 0.627 539 A CB -1.102 18.027 19.000 0.215 0.000 0.815 539 A HN 0.270 nan 8.150 nan 0.000 0.443 540 A N 0.156 123.107 122.820 0.218 0.000 1.933 540 A HA -0.052 4.271 4.320 0.006 0.000 0.218 540 A C 1.987 179.667 177.584 0.160 0.000 1.175 540 A CA 1.508 53.668 52.037 0.204 0.000 0.628 540 A CB -0.464 18.574 19.000 0.063 0.000 0.814 540 A HN 0.409 nan 8.150 nan 0.000 0.444 541 I N 0.116 120.733 120.570 0.078 0.000 2.179 541 I HA -0.185 3.989 4.170 0.006 0.000 0.242 541 I C 2.420 178.577 176.117 0.066 0.000 1.088 541 I CA 1.395 62.725 61.300 0.050 0.000 1.357 541 I CB -1.434 36.579 38.000 0.023 0.000 1.051 541 I HN 0.322 nan 8.210 nan 0.000 0.409 542 E N 0.699 120.924 120.200 0.041 0.000 2.051 542 E HA -0.186 4.168 4.350 0.006 0.000 0.192 542 E C 2.248 178.810 176.600 -0.062 0.000 0.991 542 E CA 1.234 57.603 56.400 -0.051 0.000 0.799 542 E CB -0.571 29.034 29.700 -0.158 0.000 0.748 542 E HN 0.391 nan 8.360 nan 0.000 0.449 543 F N 1.119 121.085 119.950 0.027 0.000 2.192 543 F HA -0.202 4.327 4.527 0.004 0.000 0.301 543 F C 2.363 178.179 175.800 0.026 0.000 1.079 543 F CA 1.133 59.148 58.000 0.025 0.000 1.303 543 F CB -0.637 38.375 39.000 0.020 0.000 1.024 543 F HN 0.022 nan 8.300 nan 0.000 0.494 544 A N -0.027 122.910 122.820 0.195 0.000 1.872 544 A HA -0.134 4.189 4.320 0.006 0.000 0.214 544 A C 2.264 179.899 177.584 0.086 0.000 1.187 544 A CA 1.231 53.340 52.037 0.121 0.000 0.614 544 A CB -0.431 18.620 19.000 0.085 0.000 0.826 544 A HN 0.276 nan 8.150 nan 0.000 0.442 545 K N 0.065 120.504 120.400 0.065 0.000 2.097 545 K HA -0.093 4.231 4.320 0.006 0.000 0.205 545 K C 1.801 178.433 176.600 0.053 0.000 1.050 545 K CA 1.335 57.651 56.287 0.047 0.000 0.938 545 K CB -0.190 32.329 32.500 0.031 0.000 0.718 545 K HN 0.356 nan 8.250 nan 0.000 0.442 546 K N 0.476 120.908 120.400 0.052 0.000 2.360 546 K HA -0.012 4.312 4.320 0.006 0.000 0.201 546 K C 1.501 178.150 176.600 0.082 0.000 1.046 546 K CA 0.837 57.155 56.287 0.052 0.000 0.945 546 K CB 0.022 32.540 32.500 0.030 0.000 0.750 546 K HN 0.180 nan 8.250 nan 0.000 0.464 547 M N 0.872 120.531 119.600 0.099 0.000 2.493 547 M HA 0.071 4.554 4.480 0.006 0.000 0.244 547 M C -0.581 175.789 176.300 0.117 0.000 1.182 547 M CA -0.008 55.357 55.300 0.108 0.000 0.981 547 M CB 0.221 32.886 32.600 0.109 0.000 1.551 547 M HN 0.032 nan 8.290 nan 0.000 0.476 548 N N 1.496 120.259 118.700 0.104 0.000 2.756 548 N HA -0.132 4.612 4.740 0.006 0.000 0.248 548 N C -1.069 174.488 175.510 0.078 0.000 1.062 548 N CA 0.680 53.801 53.050 0.117 0.000 0.696 548 N CB -1.641 36.972 38.487 0.210 0.000 0.946 548 N HN 0.431 nan 8.380 nan 0.000 0.548 549 L N 0.070 121.322 121.223 0.048 0.000 2.360 549 L HA 0.381 4.725 4.340 0.006 0.000 0.271 549 L C 0.730 177.602 176.870 0.004 0.000 1.057 549 L CA -0.559 54.287 54.840 0.010 0.000 0.803 549 L CB 1.138 43.206 42.059 0.014 0.000 1.207 549 L HN -0.055 nan 8.230 nan 0.000 0.445 550 E N 1.435 121.622 120.200 -0.021 0.000 2.207 550 E HA 0.246 4.600 4.350 0.006 0.000 0.270 550 E C -0.595 175.995 176.600 -0.016 0.000 0.927 550 E CA -0.573 55.819 56.400 -0.014 0.000 0.799 550 E CB 1.660 31.347 29.700 -0.023 0.000 1.172 550 E HN 0.478 nan 8.360 nan 0.000 0.404 551 E N -0.305 119.892 120.200 -0.005 0.000 2.340 551 E HA -0.143 4.211 4.350 0.006 0.000 0.240 551 E C -0.557 176.040 176.600 -0.005 0.000 1.154 551 E CA 0.023 56.419 56.400 -0.006 0.000 0.717 551 E CB -1.333 28.357 29.700 -0.016 0.000 1.250 551 E HN 0.145 nan 8.360 nan 0.000 0.386 552 V N 1.397 121.312 119.914 0.001 0.000 2.485 552 V HA -0.005 4.119 4.120 0.006 0.000 0.287 552 V C 0.791 176.880 176.094 -0.007 0.000 1.022 552 V CA 0.948 63.250 62.300 0.003 0.000 1.067 552 V CB 0.699 32.528 31.823 0.009 0.000 0.967 552 V HN 0.197 nan 8.190 nan 0.000 0.479 553 E N 3.511 123.709 120.200 -0.004 0.000 2.191 553 E HA 0.378 4.732 4.350 0.006 0.000 0.263 553 E C -1.072 175.513 176.600 -0.024 0.000 0.881 553 E CA -0.796 55.593 56.400 -0.019 0.000 0.757 553 E CB 2.487 32.182 29.700 -0.007 0.000 1.147 553 E HN 0.443 nan 8.360 nan 0.000 0.414 554 V N 5.136 125.013 119.914 -0.061 0.000 2.446 554 V HA 0.010 4.133 4.120 0.006 0.000 0.276 554 V C 0.987 177.045 176.094 -0.060 0.000 1.030 554 V CA 0.713 62.971 62.300 -0.069 0.000 1.033 554 V CB -0.052 31.696 31.823 -0.125 0.000 0.993 554 V HN 0.644 nan 8.190 nan 0.000 0.477 555 I N 1.659 122.199 120.570 -0.049 0.000 4.050 555 I HA 0.567 4.741 4.170 0.006 0.000 0.327 555 I C 0.107 176.177 176.117 -0.077 0.000 1.473 555 I CA -0.093 61.169 61.300 -0.062 0.000 1.124 555 I CB 0.504 38.468 38.000 -0.061 0.000 1.129 555 I HN 0.587 nan 8.210 nan 0.000 0.428 556 N N 2.200 120.862 118.700 -0.064 0.000 3.126 556 N HA 0.361 5.105 4.740 0.006 0.000 0.233 556 N C -1.727 173.757 175.510 -0.043 0.000 1.069 556 N CA -0.542 52.472 53.050 -0.060 0.000 1.071 556 N CB 1.505 39.950 38.487 -0.070 0.000 1.683 556 N HN 0.339 nan 8.380 nan 0.000 0.586 557 R N 1.884 122.363 120.500 -0.036 0.000 2.507 557 R HA 0.466 4.809 4.340 0.006 0.000 0.298 557 R C -0.995 175.298 176.300 -0.011 0.000 1.087 557 R CA -0.768 55.318 56.100 -0.024 0.000 0.917 557 R CB 1.661 31.943 30.300 -0.030 0.000 1.173 557 R HN 0.370 nan 8.270 nan 0.000 0.472 558 E N 2.302 122.503 120.200 0.002 0.000 2.175 558 E HA 0.237 4.591 4.350 0.006 0.000 0.278 558 E C -0.430 176.187 176.600 0.030 0.000 0.969 558 E CA -0.998 55.409 56.400 0.012 0.000 0.796 558 E CB 2.501 32.209 29.700 0.013 0.000 1.104 558 E HN 0.203 nan 8.360 nan 0.000 0.395 559 V N 5.261 125.190 119.914 0.026 0.000 2.427 559 V HA -0.030 4.093 4.120 0.006 0.000 0.268 559 V C 1.189 177.317 176.094 0.056 0.000 1.046 559 V CA -0.077 62.245 62.300 0.038 0.000 0.970 559 V CB 0.608 32.446 31.823 0.026 0.000 1.001 559 V HN 0.783 nan 8.190 nan 0.000 0.476 560 M N 2.005 121.665 119.600 0.099 0.000 2.074 560 M HA 0.059 4.543 4.480 0.006 0.000 0.258 560 M C 0.842 177.189 176.300 0.078 0.000 1.083 560 M CA 1.642 57.009 55.300 0.111 0.000 1.128 560 M CB -0.387 32.347 32.600 0.223 0.000 1.301 560 M HN 0.670 nan 8.290 nan 0.000 0.417 561 Q N 0.157 120.011 119.800 0.090 0.000 2.315 561 Q HA 0.158 4.502 4.340 0.006 0.000 0.273 561 Q C 0.131 176.162 176.000 0.053 0.000 1.053 561 Q CA -0.030 55.808 55.803 0.059 0.000 0.817 561 Q CB 2.525 31.295 28.738 0.054 0.000 1.326 561 Q HN 0.435 nan 8.270 nan 0.000 0.423 562 E N 2.549 122.770 120.200 0.035 0.000 2.132 562 E HA -0.346 4.008 4.350 0.006 0.000 0.218 562 E C 1.107 177.722 176.600 0.025 0.000 1.058 562 E CA 2.661 59.077 56.400 0.026 0.000 0.882 562 E CB 0.174 29.887 29.700 0.020 0.000 0.774 562 E HN 0.696 nan 8.360 nan 0.000 0.467 563 A N 0.473 123.311 122.820 0.029 0.000 1.874 563 A HA -0.116 4.208 4.320 0.006 0.000 0.214 563 A C 1.981 179.588 177.584 0.037 0.000 1.189 563 A CA 1.185 53.238 52.037 0.027 0.000 0.615 563 A CB -0.342 18.674 19.000 0.026 0.000 0.830 563 A HN 0.209 nan 8.150 nan 0.000 0.443 564 E N -0.333 119.905 120.200 0.064 0.000 2.204 564 E HA 0.140 4.494 4.350 0.006 0.000 0.195 564 E C 0.979 177.676 176.600 0.161 0.000 0.990 564 E CA 1.022 57.488 56.400 0.111 0.000 0.821 564 E CB -0.271 29.504 29.700 0.125 0.000 0.750 564 E HN 0.665 nan 8.360 nan 0.000 0.477 565 G N -1.023 107.839 108.800 0.103 0.000 2.350 565 G HA2 0.164 4.128 3.960 0.006 0.000 0.305 565 G HA3 0.164 4.128 3.960 0.006 0.000 0.305 565 G C -1.138 173.771 174.900 0.015 0.000 1.479 565 G CA -0.612 44.445 45.100 -0.071 0.000 0.949 565 G HN -0.073 nan 8.290 nan 0.000 0.651 566 T N 0.469 114.890 114.554 -0.220 0.000 2.921 566 T HA 0.559 4.913 4.350 0.006 0.000 0.297 566 T C 0.066 174.764 174.700 -0.003 0.000 1.013 566 T CA -0.671 61.403 62.100 -0.044 0.000 0.990 566 T CB 1.771 70.594 68.868 -0.075 0.000 1.023 566 T HN 0.721 nan 8.240 nan 0.000 0.447 567 R N 3.882 124.455 120.500 0.121 0.000 2.340 567 R HA 0.502 4.846 4.340 0.006 0.000 0.300 567 R C -0.910 175.411 176.300 0.035 0.000 1.069 567 R CA -0.206 55.966 56.100 0.120 0.000 0.984 567 R CB 0.300 30.671 30.300 0.120 0.000 1.003 567 R HN 0.487 nan 8.270 nan 0.000 0.459 568 I N 3.695 124.277 120.570 0.020 0.000 2.582 568 I HA 0.269 4.443 4.170 0.006 0.000 0.292 568 I C -0.789 175.330 176.117 0.003 0.000 1.066 568 I CA -0.654 60.643 61.300 -0.006 0.000 1.053 568 I CB 2.286 40.272 38.000 -0.024 0.000 1.241 568 I HN 0.729 nan 8.210 nan 0.000 0.421 569 E N 6.110 126.307 120.200 -0.006 0.000 2.218 569 E HA 0.595 4.949 4.350 0.006 0.000 0.263 569 E C -1.522 175.081 176.600 0.005 0.000 0.879 569 E CA -0.725 55.679 56.400 0.006 0.000 0.762 569 E CB 2.573 32.270 29.700 -0.006 0.000 1.166 569 E HN 0.245 nan 8.360 nan 0.000 0.415 570 L N 2.236 123.477 121.223 0.030 0.000 2.342 570 L HA 0.490 4.834 4.340 0.006 0.000 0.271 570 L C -0.261 176.660 176.870 0.085 0.000 1.008 570 L CA -0.998 53.863 54.840 0.035 0.000 0.818 570 L CB 0.894 42.968 42.059 0.025 0.000 1.296 570 L HN 0.371 nan 8.230 nan 0.000 0.427 571 K N -0.010 120.449 120.400 0.099 0.000 2.123 571 K HA 0.941 5.265 4.320 0.006 0.000 0.259 571 K C -0.191 176.445 176.600 0.059 0.000 0.960 571 K CA -0.586 55.789 56.287 0.147 0.000 0.872 571 K CB 1.851 34.506 32.500 0.258 0.000 1.079 571 K HN 0.740 nan 8.250 nan 0.000 0.440 572 G N 0.989 109.802 108.800 0.022 0.000 2.692 572 G HA2 0.437 4.401 3.960 0.006 0.000 0.291 572 G HA3 0.437 4.401 3.960 0.006 0.000 0.291 572 G C -1.711 173.144 174.900 -0.074 0.000 1.423 572 G CA -1.131 43.957 45.100 -0.019 0.000 0.843 572 G HN 0.577 nan 8.290 nan 0.000 0.486 573 R N 0.655 121.104 120.500 -0.085 0.000 2.387 573 R HA 0.567 4.911 4.340 0.006 0.000 0.314 573 R C -0.722 175.479 176.300 -0.166 0.000 0.958 573 R CA -0.495 55.527 56.100 -0.130 0.000 0.846 573 R CB 1.695 31.930 30.300 -0.108 0.000 1.147 573 R HN 0.304 nan 8.270 nan 0.000 0.447 574 V N 7.204 126.968 119.914 -0.249 0.000 2.508 574 V HA 0.184 4.308 4.120 0.006 0.000 0.281 574 V C -1.728 174.076 176.094 -0.484 0.000 1.041 574 V CA -1.125 60.907 62.300 -0.446 0.000 1.016 574 V CB 1.454 32.962 31.823 -0.524 0.000 0.984 574 V HN 0.815 nan 8.190 nan 0.000 0.478 575 P HA 0.263 nan 4.420 nan 0.000 0.258 575 P C -0.639 176.628 177.300 -0.055 0.000 1.416 575 P CA 0.140 63.123 63.100 -0.194 0.000 0.927 575 P CB -0.034 31.667 31.700 0.002 0.000 1.444 576 F N -3.909 116.069 119.950 0.045 0.000 2.869 576 F HA 0.777 5.308 4.527 0.006 0.000 0.325 576 F C -0.119 175.736 175.800 0.090 0.000 1.184 576 F CA -1.298 56.741 58.000 0.064 0.000 0.951 576 F CB 0.212 39.238 39.000 0.043 0.000 1.421 576 F HN -0.497 nan 8.300 nan 0.000 0.501 577 S N -0.154 115.804 115.700 0.430 0.000 2.837 577 S HA 0.860 5.334 4.470 0.006 0.000 0.314 577 S C -1.742 173.021 174.600 0.270 0.000 1.098 577 S CA -0.548 57.844 58.200 0.319 0.000 0.903 577 S CB 2.078 65.447 63.200 0.281 0.000 1.310 577 S HN 0.507 nan 8.310 nan 0.000 0.581 578 I N 1.333 122.009 120.570 0.176 0.000 2.752 578 I HA 0.338 4.511 4.170 0.006 0.000 0.295 578 I C -1.624 174.531 176.117 0.063 0.000 1.219 578 I CA -0.352 61.015 61.300 0.111 0.000 1.030 578 I CB 2.211 40.278 38.000 0.111 0.000 1.259 578 I HN 0.465 nan 8.210 nan 0.000 0.423 579 D N 6.099 126.518 120.400 0.030 0.000 2.280 579 D HA 0.320 4.963 4.640 0.006 0.000 0.236 579 D C 1.242 177.549 176.300 0.010 0.000 1.082 579 D CA -0.293 53.711 54.000 0.008 0.000 0.834 579 D CB 1.167 41.962 40.800 -0.009 0.000 1.100 579 D HN 0.296 nan 8.370 nan 0.000 0.486 580 I N 3.306 123.882 120.570 0.010 0.000 2.069 580 I HA -0.340 3.833 4.170 0.006 0.000 0.237 580 I C 1.734 177.852 176.117 0.002 0.000 1.053 580 I CA 1.009 62.314 61.300 0.008 0.000 1.311 580 I CB -1.014 36.989 38.000 0.004 0.000 1.030 580 I HN 0.505 nan 8.210 nan 0.000 0.398 581 N N 1.252 119.949 118.700 -0.004 0.000 2.242 581 N HA -0.161 4.583 4.740 0.006 0.000 0.191 581 N C 1.524 177.030 175.510 -0.006 0.000 1.005 581 N CA 1.523 54.569 53.050 -0.007 0.000 0.877 581 N CB -0.519 37.962 38.487 -0.011 0.000 0.983 581 N HN 0.368 nan 8.380 nan 0.000 0.439 582 S N 0.155 115.852 115.700 -0.004 0.000 2.710 582 S HA 0.205 4.678 4.470 0.006 0.000 0.224 582 S C 0.584 175.183 174.600 -0.002 0.000 0.948 582 S CA -0.096 58.101 58.200 -0.005 0.000 0.949 582 S CB 0.115 63.311 63.200 -0.006 0.000 0.778 582 S HN 0.197 nan 8.310 nan 0.000 0.498 583 L N 2.080 123.303 121.223 -0.000 0.000 2.287 583 L HA 0.416 4.760 4.340 0.006 0.000 0.287 583 L C -0.482 176.388 176.870 -0.000 0.000 1.022 583 L CA -0.756 54.085 54.840 0.002 0.000 0.814 583 L CB 1.573 43.635 42.059 0.006 0.000 1.217 583 L HN -0.050 nan 8.230 nan 0.000 0.420 584 V N 5.643 125.557 119.914 -0.001 0.000 2.415 584 V HA 0.214 4.338 4.120 0.006 0.000 0.267 584 V C 0.264 176.358 176.094 -0.001 0.000 1.042 584 V CA 0.280 62.579 62.300 -0.002 0.000 1.000 584 V CB 0.328 32.150 31.823 -0.003 0.000 1.015 584 V HN 0.490 nan 8.190 nan 0.000 0.478 585 I N 6.966 127.535 120.570 -0.001 0.000 2.476 585 I HA 0.399 4.573 4.170 0.006 0.000 0.281 585 I C -2.149 173.967 176.117 -0.001 0.000 1.040 585 I CA -1.546 59.754 61.300 -0.000 0.000 1.094 585 I CB 2.000 40.000 38.000 -0.001 0.000 1.219 585 I HN 0.504 nan 8.210 nan 0.000 0.450 586 P HA 0.526 nan 4.420 nan 0.000 0.276 586 P C -2.382 174.918 177.300 -0.000 0.000 1.244 586 P CA -0.804 62.295 63.100 -0.001 0.000 0.801 586 P CB -0.145 31.555 31.700 -0.000 0.000 1.006 592 L N 5.136 126.362 121.223 0.005 0.000 2.326 592 L HA 0.440 4.783 4.340 0.006 0.000 0.278 592 L C 0.750 177.601 176.870 -0.033 0.000 1.092 592 L CA 0.320 55.150 54.840 -0.016 0.000 0.810 592 L CB 1.913 43.957 42.059 -0.025 0.000 1.153 592 L HN 0.743 nan 8.230 nan 0.000 0.439 593 S N 2.033 117.711 115.700 -0.036 0.000 2.617 593 S HA 0.259 4.733 4.470 0.006 0.000 0.269 593 S C 1.212 175.769 174.600 -0.073 0.000 1.292 593 S CA 0.143 58.322 58.200 -0.036 0.000 1.010 593 S CB 1.483 64.672 63.200 -0.018 0.000 0.944 593 S HN 0.711 nan 8.310 nan 0.000 0.536 594 E N 0.971 121.142 120.200 -0.049 0.000 2.209 594 E HA -0.191 4.163 4.350 0.006 0.000 0.196 594 E C 1.338 177.931 176.600 -0.012 0.000 0.993 594 E CA 1.887 58.257 56.400 -0.049 0.000 0.819 594 E CB -1.072 28.706 29.700 0.129 0.000 0.745 594 E HN 0.819 nan 8.360 nan 0.000 0.477 595 D N -0.868 119.534 120.400 0.003 0.000 2.213 595 D HA 0.071 4.714 4.640 0.006 0.000 0.205 595 D C 2.316 178.612 176.300 -0.007 0.000 0.961 595 D CA 1.443 55.451 54.000 0.014 0.000 0.853 595 D CB 0.045 40.855 40.800 0.017 0.000 0.967 595 D HN 0.617 nan 8.370 nan 0.000 0.496 596 E N 0.394 120.577 120.200 -0.028 0.000 2.158 596 E HA -0.020 4.333 4.350 0.006 0.000 0.191 596 E C 2.102 178.673 176.600 -0.048 0.000 0.982 596 E CA 0.488 56.869 56.400 -0.031 0.000 0.823 596 E CB -0.598 29.085 29.700 -0.030 0.000 0.766 596 E HN 0.296 nan 8.360 nan 0.000 0.468 597 I N -0.423 120.093 120.570 -0.090 0.000 2.193 597 I HA -0.113 4.060 4.170 0.006 0.000 0.240 597 I C 2.871 178.947 176.117 -0.068 0.000 1.084 597 I CA 1.215 62.438 61.300 -0.128 0.000 1.365 597 I CB -0.129 37.693 38.000 -0.298 0.000 1.064 597 I HN 0.186 nan 8.210 nan 0.000 0.410 598 R N 0.969 121.451 120.500 -0.030 0.000 2.154 598 R HA -0.259 4.085 4.340 0.006 0.000 0.248 598 R C 2.289 178.607 176.300 0.031 0.000 1.155 598 R CA 2.119 58.256 56.100 0.061 0.000 0.979 598 R CB -0.210 30.152 30.300 0.104 0.000 0.869 598 R HN 0.504 nan 8.270 nan 0.000 0.452 599 E N 0.260 120.465 120.200 0.007 0.000 2.112 599 E HA -0.156 4.197 4.350 0.006 0.000 0.190 599 E C 1.524 178.124 176.600 0.000 0.000 0.979 599 E CA 1.312 57.715 56.400 0.005 0.000 0.814 599 E CB -0.541 29.158 29.700 -0.002 0.000 0.762 599 E HN 0.516 nan 8.360 nan 0.000 0.460 600 D N -0.184 120.210 120.400 -0.009 0.000 2.103 600 D HA -0.053 4.591 4.640 0.006 0.000 0.199 600 D C 1.883 178.181 176.300 -0.004 0.000 0.978 600 D CA 1.054 55.047 54.000 -0.012 0.000 0.829 600 D CB -0.002 40.783 40.800 -0.025 0.000 0.981 600 D HN 0.383 nan 8.370 nan 0.000 0.464 601 I N 0.693 121.265 120.570 0.004 0.000 2.361 601 I HA -0.185 3.988 4.170 0.006 0.000 0.251 601 I C 2.269 178.396 176.117 0.017 0.000 1.133 601 I CA 1.112 62.421 61.300 0.015 0.000 1.413 601 I CB -0.710 37.310 38.000 0.034 0.000 1.073 601 I HN 0.231 nan 8.210 nan 0.000 0.424 602 E N 1.261 121.471 120.200 0.017 0.000 2.150 602 E HA -0.226 4.128 4.350 0.006 0.000 0.193 602 E C 2.283 178.890 176.600 0.010 0.000 0.985 602 E CA 0.927 57.336 56.400 0.016 0.000 0.814 602 E CB 0.174 29.884 29.700 0.016 0.000 0.752 602 E HN 0.324 nan 8.360 nan 0.000 0.466 603 K N -0.332 120.072 120.400 0.007 0.000 2.044 603 K HA -0.015 4.308 4.320 0.006 0.000 0.204 603 K C -0.028 176.574 176.600 0.003 0.000 1.049 603 K CA 1.229 57.519 56.287 0.004 0.000 0.945 603 K CB 0.388 32.888 32.500 0.000 0.000 0.724 603 K HN -0.054 nan 8.250 nan 0.000 0.440 604 T N 3.885 118.440 114.554 0.002 0.000 3.150 604 T HA 0.321 4.674 4.350 0.006 0.000 0.383 604 T C -2.728 171.975 174.700 0.005 0.000 1.313 604 T CA -1.450 60.651 62.100 0.002 0.000 1.235 604 T CB 1.665 70.530 68.868 -0.004 0.000 1.088 604 T HN 0.060 nan 8.240 nan 0.000 0.556 605 P HA 0.161 nan 4.420 nan 0.000 0.265 605 P C -0.614 176.699 177.300 0.020 0.000 1.187 605 P CA -0.591 62.521 63.100 0.019 0.000 0.766 605 P CB 0.508 32.222 31.700 0.023 0.000 0.820 606 L N 3.726 124.965 121.223 0.026 0.000 2.317 606 L HA 0.485 4.829 4.340 0.006 0.000 0.281 606 L C 0.129 177.029 176.870 0.051 0.000 1.024 606 L CA -0.165 54.693 54.840 0.030 0.000 0.810 606 L CB 0.975 43.048 42.059 0.023 0.000 1.240 606 L HN 0.209 nan 8.230 nan 0.000 0.427 607 K N 3.968 124.406 120.400 0.062 0.000 2.397 607 K HA 0.644 4.968 4.320 0.006 0.000 0.253 607 K C -1.655 175.012 176.600 0.111 0.000 0.932 607 K CA -0.650 55.698 56.287 0.101 0.000 0.795 607 K CB 1.603 34.164 32.500 0.101 0.000 1.159 607 K HN 0.446 nan 8.250 nan 0.000 0.424 608 I N 3.428 124.091 120.570 0.155 0.000 2.689 608 I HA 0.297 4.471 4.170 0.006 0.000 0.299 608 I C -0.627 175.600 176.117 0.185 0.000 1.059 608 I CA -0.823 60.562 61.300 0.141 0.000 1.055 608 I CB 2.076 40.148 38.000 0.119 0.000 1.243 608 I HN 0.379 nan 8.210 nan 0.000 0.425 609 V N 2.409 122.407 119.914 0.140 0.000 2.630 609 V HA 1.044 5.167 4.120 0.006 0.000 0.305 609 V C -0.333 175.847 176.094 0.143 0.000 1.046 609 V CA -0.540 61.847 62.300 0.144 0.000 0.934 609 V CB 1.272 33.143 31.823 0.080 0.000 1.003 609 V HN 0.981 nan 8.190 nan 0.000 0.451 610 A N 2.461 125.382 122.820 0.169 0.000 2.594 610 A HA 1.084 5.408 4.320 0.006 0.000 0.295 610 A C -0.418 177.278 177.584 0.186 0.000 1.071 610 A CA -0.203 51.947 52.037 0.188 0.000 0.685 610 A CB 1.630 20.763 19.000 0.222 0.000 1.285 610 A HN 2.744 nan 8.150 nan 0.000 0.405 611 A N -0.004 122.910 122.820 0.156 0.000 2.569 611 A HA 0.699 5.022 4.320 0.006 0.000 0.292 611 A C -0.554 177.086 177.584 0.093 0.000 1.032 611 A CA -0.199 51.879 52.037 0.069 0.000 0.669 611 A CB 0.335 19.297 19.000 -0.064 0.000 1.290 611 A HN 1.219 nan 8.150 nan 0.000 0.422 612 T N 1.413 116.013 114.554 0.076 0.000 2.729 612 T HA 0.461 4.815 4.350 0.006 0.000 0.296 612 T C -0.107 174.615 174.700 0.037 0.000 0.928 612 T CA 0.071 62.217 62.100 0.077 0.000 1.045 612 T CB 0.512 69.438 68.868 0.096 0.000 0.902 612 T HN 0.675 nan 8.240 nan 0.000 0.500 613 V N 3.979 123.920 119.914 0.046 0.000 2.539 613 V HA 0.751 4.874 4.120 0.006 0.000 0.292 613 V C 0.959 177.074 176.094 0.035 0.000 1.045 613 V CA 1.104 63.425 62.300 0.035 0.000 0.945 613 V CB 0.976 32.826 31.823 0.045 0.000 0.993 613 V HN 1.222 nan 8.190 nan 0.000 0.464 614 G N 5.253 114.067 108.800 0.024 0.000 2.481 614 G HA2 -0.166 3.797 3.960 0.006 0.000 0.230 614 G HA3 -0.166 3.797 3.960 0.006 0.000 0.230 614 G C -0.157 174.752 174.900 0.015 0.000 1.210 614 G CA 0.075 45.191 45.100 0.025 0.000 0.936 614 G HN 0.688 nan 8.290 nan 0.000 0.583 615 E N 1.418 121.629 120.200 0.018 0.000 2.597 615 E HA 0.426 4.779 4.350 0.006 0.000 0.235 615 E C -1.117 175.476 176.600 -0.011 0.000 1.155 615 E CA -0.215 56.187 56.400 0.003 0.000 1.199 615 E CB 0.808 30.513 29.700 0.008 0.000 1.409 615 E HN 0.341 nan 8.360 nan 0.000 0.453 616 D N 1.146 121.533 120.400 -0.021 0.000 2.620 616 D HA 0.108 4.752 4.640 0.006 0.000 0.252 616 D C 0.111 176.358 176.300 -0.088 0.000 1.207 616 D CA -0.378 53.594 54.000 -0.047 0.000 0.884 616 D CB 1.306 42.127 40.800 0.034 0.000 1.262 616 D HN 0.014 nan 8.370 nan 0.000 0.552 617 E N 1.422 121.497 120.200 -0.209 0.000 2.465 617 E HA 0.018 4.371 4.350 0.006 0.000 0.191 617 E C -0.253 176.275 176.600 -0.120 0.000 1.053 617 E CA -0.058 56.249 56.400 -0.154 0.000 0.869 617 E CB -0.118 29.495 29.700 -0.144 0.000 0.977 617 E HN 0.516 nan 8.360 nan 0.000 0.483 618 H N 0.399 119.485 119.070 0.027 0.000 3.157 618 H HA 0.045 4.605 4.556 0.006 0.000 0.260 618 H C 1.405 176.762 175.328 0.048 0.000 1.232 618 H CA 0.008 56.073 56.048 0.029 0.000 1.488 618 H CB 0.542 30.315 29.762 0.018 0.000 1.548 618 H HN 0.033 nan 8.280 nan 0.000 0.487 619 S N 1.411 117.210 115.700 0.165 0.000 2.456 619 S HA -0.086 4.388 4.470 0.006 0.000 0.224 619 S C 2.008 176.669 174.600 0.102 0.000 1.035 619 S CA 0.210 58.502 58.200 0.154 0.000 0.940 619 S CB -0.051 63.241 63.200 0.154 0.000 0.799 619 S HN 0.340 nan 8.310 nan 0.000 0.508 620 V N 2.957 122.915 119.914 0.073 0.000 2.233 620 V HA -0.129 3.995 4.120 0.006 0.000 0.247 620 V C 2.950 179.050 176.094 0.010 0.000 1.050 620 V CA 2.135 64.449 62.300 0.024 0.000 1.010 620 V CB -1.789 30.046 31.823 0.020 0.000 0.637 620 V HN 0.611 nan 8.190 nan 0.000 0.444 621 G N -0.137 108.676 108.800 0.022 0.000 2.556 621 G HA2 -0.326 3.638 3.960 0.006 0.000 0.220 621 G HA3 -0.326 3.638 3.960 0.006 0.000 0.220 621 G C 1.567 176.470 174.900 0.005 0.000 1.156 621 G CA 1.610 46.717 45.100 0.013 0.000 0.766 621 G HN 0.425 nan 8.290 nan 0.000 0.583 622 L N 0.323 121.556 121.223 0.016 0.000 2.068 622 L HA 0.228 4.571 4.340 0.006 0.000 0.204 622 L C 2.785 179.608 176.870 -0.078 0.000 1.076 622 L CA 1.494 56.334 54.840 0.001 0.000 0.753 622 L CB -0.779 41.328 42.059 0.080 0.000 0.910 622 L HN 0.145 nan 8.230 nan 0.000 0.439 623 R N -0.536 119.889 120.500 -0.125 0.000 2.200 623 R HA -0.197 4.147 4.340 0.006 0.000 0.234 623 R C 2.062 178.284 176.300 -0.130 0.000 1.127 623 R CA 1.161 57.136 56.100 -0.208 0.000 0.989 623 R CB -0.122 30.050 30.300 -0.213 0.000 0.869 623 R HN 0.350 nan 8.270 nan 0.000 0.459 624 E N 0.026 120.184 120.200 -0.070 0.000 2.106 624 E HA -0.117 4.236 4.350 0.006 0.000 0.192 624 E C 1.517 178.102 176.600 -0.025 0.000 0.984 624 E CA 1.147 57.531 56.400 -0.027 0.000 0.806 624 E CB 0.241 29.953 29.700 0.020 0.000 0.750 624 E HN 0.278 nan 8.360 nan 0.000 0.458 625 V N -1.773 118.113 119.914 -0.047 0.000 3.596 625 V HA 0.229 4.353 4.120 0.006 0.000 0.289 625 V C 1.486 177.541 176.094 -0.066 0.000 1.336 625 V CA 0.300 62.568 62.300 -0.054 0.000 1.137 625 V CB -0.299 31.476 31.823 -0.079 0.000 0.966 625 V HN 0.146 nan 8.190 nan 0.000 0.428 626 I N -0.753 119.763 120.570 -0.090 0.000 3.136 626 I HA 0.244 4.417 4.170 0.006 0.000 0.262 626 I C 0.365 176.414 176.117 -0.114 0.000 1.132 626 I CA -0.000 61.239 61.300 -0.102 0.000 1.450 626 I CB -0.018 37.892 38.000 -0.149 0.000 1.315 626 I HN 0.219 nan 8.210 nan 0.000 0.460 627 D N 2.166 122.488 120.400 -0.130 0.000 2.493 627 D HA -0.003 4.641 4.640 0.006 0.000 0.240 627 D C 1.057 177.288 176.300 -0.115 0.000 1.142 627 D CA 0.442 54.363 54.000 -0.132 0.000 0.872 627 D CB 1.379 42.089 40.800 -0.150 0.000 1.173 627 D HN 0.180 nan 8.370 nan 0.000 0.467 628 I N 2.763 123.263 120.570 -0.118 0.000 2.361 628 I HA -0.305 3.869 4.170 0.006 0.000 0.251 628 I C 2.096 178.162 176.117 -0.084 0.000 1.133 628 I CA 1.210 62.439 61.300 -0.118 0.000 1.413 628 I CB 0.174 38.105 38.000 -0.114 0.000 1.073 628 I HN 0.229 nan 8.210 nan 0.000 0.424 629 K N 1.005 121.347 120.400 -0.098 0.000 2.163 629 K HA -0.285 4.039 4.320 0.006 0.000 0.210 629 K C 0.909 177.541 176.600 0.053 0.000 1.048 629 K CA 2.070 58.295 56.287 -0.103 0.000 0.928 629 K CB -0.567 31.782 32.500 -0.250 0.000 0.716 629 K HN 0.640 nan 8.250 nan 0.000 0.459 630 H N -2.078 116.943 119.070 -0.083 0.000 2.562 630 H HA 0.276 4.835 4.556 0.006 0.000 0.249 630 H C -0.089 175.184 175.328 -0.091 0.000 1.195 630 H CA -0.367 55.637 56.048 -0.074 0.000 0.938 630 H CB 0.432 30.159 29.762 -0.059 0.000 1.891 630 H HN 0.405 nan 8.280 nan 0.000 0.595 631 G N 1.404 110.196 108.800 -0.014 0.000 2.333 631 G HA2 -0.250 3.714 3.960 0.006 0.000 0.296 631 G HA3 -0.250 3.714 3.960 0.006 0.000 0.296 631 G C 0.623 175.446 174.900 -0.127 0.000 1.059 631 G CA 0.171 45.200 45.100 -0.119 0.000 1.050 631 G HN 0.612 nan 8.290 nan 0.000 0.508 632 G N -0.616 108.108 108.800 -0.127 0.000 2.563 632 G HA2 0.618 4.582 3.960 0.006 0.000 0.283 632 G HA3 0.618 4.582 3.960 0.006 0.000 0.283 632 G C 1.440 176.265 174.900 -0.124 0.000 1.309 632 G CA -0.400 44.642 45.100 -0.097 0.000 1.022 632 G HN 1.053 nan 8.290 nan 0.000 0.501 633 I N -2.008 118.539 120.570 -0.038 0.000 2.830 633 I HA 0.032 4.205 4.170 0.006 0.000 0.263 633 I C 2.139 178.254 176.117 -0.005 0.000 1.230 633 I CA 1.499 62.828 61.300 0.049 0.000 1.480 633 I CB -0.298 37.755 38.000 0.088 0.000 1.095 633 I HN 0.724 nan 8.210 nan 0.000 0.455 634 E N 3.007 123.164 120.200 -0.072 0.000 2.208 634 E HA -0.266 4.088 4.350 0.006 0.000 0.193 634 E C 2.114 178.650 176.600 -0.107 0.000 0.988 634 E CA 0.887 57.245 56.400 -0.070 0.000 0.828 634 E CB -0.372 29.280 29.700 -0.080 0.000 0.763 634 E HN 0.645 nan 8.360 nan 0.000 0.478 635 K N 0.446 120.715 120.400 -0.218 0.000 2.127 635 K HA -0.214 4.110 4.320 0.006 0.000 0.208 635 K C 1.185 177.630 176.600 -0.258 0.000 1.047 635 K CA 1.631 57.726 56.287 -0.320 0.000 0.927 635 K CB -0.247 31.908 32.500 -0.574 0.000 0.716 635 K HN 0.214 nan 8.250 nan 0.000 0.450 636 Y N -0.478 119.814 120.300 -0.013 0.000 2.490 636 Y HA 0.205 4.759 4.550 0.006 0.000 0.281 636 Y C 1.497 177.393 175.900 -0.006 0.000 1.174 636 Y CA 0.464 58.560 58.100 -0.008 0.000 1.295 636 Y CB 0.542 38.999 38.460 -0.004 0.000 1.062 636 Y HN 0.417 nan 8.280 nan 0.000 0.522 637 G N -0.401 108.455 108.800 0.092 0.000 2.144 637 G HA2 -0.233 3.731 3.960 0.006 0.000 0.218 637 G HA3 -0.233 3.731 3.960 0.006 0.000 0.218 637 G C -0.241 174.689 174.900 0.050 0.000 0.988 637 G CA -0.014 45.119 45.100 0.055 0.000 0.659 637 G HN 0.076 nan 8.290 nan 0.000 0.522 638 V N 1.171 121.121 119.914 0.061 0.000 2.521 638 V HA 0.296 4.419 4.120 0.006 0.000 0.286 638 V C 0.999 177.108 176.094 0.026 0.000 1.034 638 V CA 0.127 62.458 62.300 0.051 0.000 1.045 638 V CB 1.534 33.397 31.823 0.067 0.000 0.974 638 V HN 0.472 nan 8.190 nan 0.000 0.480 639 E N 4.419 124.638 120.200 0.031 0.000 2.265 639 E HA 0.282 4.635 4.350 0.006 0.000 0.272 639 E C -0.949 175.667 176.600 0.027 0.000 1.067 639 E CA -0.248 56.160 56.400 0.013 0.000 0.900 639 E CB 0.979 30.709 29.700 0.050 0.000 1.017 639 E HN 0.500 nan 8.360 nan 0.000 0.431 640 V N 5.764 125.654 119.914 -0.040 0.000 2.581 640 V HA 0.221 4.345 4.120 0.006 0.000 0.303 640 V C -0.457 175.571 176.094 -0.109 0.000 1.041 640 V CA -0.656 61.642 62.300 -0.002 0.000 0.907 640 V CB 1.758 33.577 31.823 -0.007 0.000 0.994 640 V HN 0.712 nan 8.190 nan 0.000 0.442 641 H N 4.114 123.234 119.070 0.083 0.000 2.762 641 H HA 0.284 4.844 4.556 0.006 0.000 0.310 641 H C -1.407 174.013 175.328 0.154 0.000 1.004 641 H CA -0.348 55.756 56.048 0.094 0.000 1.267 641 H CB 1.389 31.186 29.762 0.059 0.000 1.437 641 H HN 0.609 nan 8.280 nan 0.000 0.498 642 Y N 3.868 124.208 120.300 0.067 0.000 2.313 642 Y HA 0.130 4.684 4.550 0.006 0.000 0.332 642 Y C 0.391 176.322 175.900 0.053 0.000 1.071 642 Y CA -0.626 57.502 58.100 0.046 0.000 1.169 642 Y CB 0.760 39.227 38.460 0.011 0.000 1.192 642 Y HN 0.563 nan 8.280 nan 0.000 0.487 643 L N 4.805 125.761 121.223 -0.445 0.000 2.731 643 L HA 0.378 4.722 4.340 0.006 0.000 0.240 643 L C 0.991 177.558 176.870 -0.505 0.000 1.120 643 L CA 0.446 55.085 54.840 -0.335 0.000 0.913 643 L CB -0.328 41.635 42.059 -0.160 0.000 1.213 643 L HN 0.960 nan 8.230 nan 0.000 0.515 644 G N 1.040 109.181 108.800 -1.098 0.000 2.627 644 G HA2 -0.219 3.744 3.960 0.006 0.000 0.214 644 G HA3 -0.219 3.744 3.960 0.006 0.000 0.214 644 G C -0.067 174.626 174.900 -0.346 0.000 1.331 644 G CA -0.323 44.353 45.100 -0.706 0.000 0.891 644 G HN 0.171 nan 8.290 nan 0.000 0.539 645 T N -2.534 111.944 114.554 -0.127 0.000 2.824 645 T HA 0.606 4.960 4.350 0.006 0.000 0.277 645 T C 1.142 175.809 174.700 -0.056 0.000 0.975 645 T CA 1.022 63.095 62.100 -0.045 0.000 0.966 645 T CB 1.388 70.251 68.868 -0.008 0.000 1.054 645 T HN 2.315 nan 8.240 nan 0.000 0.533 646 S N -0.738 114.943 115.700 -0.033 0.000 3.587 646 S HA -0.119 4.354 4.470 0.006 0.000 0.337 646 S C 0.069 174.651 174.600 -0.029 0.000 1.119 646 S CA 0.354 58.536 58.200 -0.029 0.000 0.976 646 S CB -1.571 61.610 63.200 -0.033 0.000 0.922 646 S HN 0.733 nan 8.310 nan 0.000 0.503 647 V N 2.387 122.282 119.914 -0.032 0.000 2.406 647 V HA 0.275 4.398 4.120 0.006 0.000 0.272 647 V C -1.740 174.348 176.094 -0.010 0.000 1.043 647 V CA -1.725 60.557 62.300 -0.030 0.000 0.915 647 V CB 0.993 32.788 31.823 -0.046 0.000 0.988 647 V HN 0.089 nan 8.190 nan 0.000 0.466 648 P HA -0.017 nan 4.420 nan 0.000 0.264 648 P C 1.068 178.371 177.300 0.006 0.000 1.179 648 P CA 0.298 63.399 63.100 0.001 0.000 0.763 648 P CB 0.646 32.345 31.700 -0.002 0.000 0.806 649 V N 2.655 122.577 119.914 0.014 0.000 2.407 649 V HA -0.227 3.897 4.120 0.006 0.000 0.248 649 V C 2.127 178.231 176.094 0.017 0.000 1.055 649 V CA 2.002 64.314 62.300 0.021 0.000 1.049 649 V CB -0.788 31.052 31.823 0.028 0.000 0.662 649 V HN 0.697 nan 8.190 nan 0.000 0.455 650 E N -0.305 119.901 120.200 0.010 0.000 2.122 650 E HA -0.224 4.129 4.350 0.006 0.000 0.190 650 E C 2.201 178.802 176.600 0.001 0.000 0.977 650 E CA 0.736 57.139 56.400 0.006 0.000 0.820 650 E CB 0.052 29.754 29.700 0.002 0.000 0.770 650 E HN 0.390 nan 8.360 nan 0.000 0.462 651 K N 0.828 121.227 120.400 -0.002 0.000 2.097 651 K HA -0.225 4.099 4.320 0.006 0.000 0.214 651 K C 2.044 178.640 176.600 -0.006 0.000 1.052 651 K CA 1.433 57.715 56.287 -0.007 0.000 0.932 651 K CB -0.511 31.982 32.500 -0.012 0.000 0.716 651 K HN 0.168 nan 8.250 nan 0.000 0.455 652 L N -0.431 120.792 121.223 0.000 0.000 2.072 652 L HA -0.069 4.275 4.340 0.006 0.000 0.205 652 L C 1.841 178.718 176.870 0.011 0.000 1.079 652 L CA 1.294 56.138 54.840 0.008 0.000 0.752 652 L CB -0.206 41.865 42.059 0.020 0.000 0.906 652 L HN 0.060 nan 8.230 nan 0.000 0.436 653 V N -0.833 119.088 119.914 0.012 0.000 2.453 653 V HA -0.214 3.909 4.120 0.006 0.000 0.247 653 V C 2.278 178.372 176.094 -0.001 0.000 1.048 653 V CA 1.620 63.925 62.300 0.009 0.000 1.049 653 V CB -0.947 30.880 31.823 0.007 0.000 0.672 653 V HN 0.372 nan 8.190 nan 0.000 0.457 654 D N 0.882 121.280 120.400 -0.005 0.000 2.116 654 D HA -0.178 4.465 4.640 0.006 0.000 0.193 654 D C 2.245 178.535 176.300 -0.016 0.000 0.998 654 D CA 1.956 55.950 54.000 -0.010 0.000 0.836 654 D CB -0.301 40.493 40.800 -0.011 0.000 0.951 654 D HN 0.432 nan 8.370 nan 0.000 0.449 655 A N 0.722 123.531 122.820 -0.017 0.000 1.933 655 A HA -0.033 4.291 4.320 0.006 0.000 0.218 655 A C 2.315 179.877 177.584 -0.037 0.000 1.175 655 A CA 2.237 54.256 52.037 -0.030 0.000 0.628 655 A CB -0.728 18.259 19.000 -0.023 0.000 0.814 655 A HN 0.244 nan 8.150 nan 0.000 0.444 656 A N 0.234 123.045 122.820 -0.015 0.000 1.908 656 A HA -0.144 4.179 4.320 0.006 0.000 0.218 656 A C 2.101 179.674 177.584 -0.020 0.000 1.181 656 A CA 1.712 53.744 52.037 -0.009 0.000 0.627 656 A CB -0.659 18.349 19.000 0.013 0.000 0.818 656 A HN 0.549 nan 8.150 nan 0.000 0.445 657 I N -0.980 119.580 120.570 -0.018 0.000 2.233 657 I HA -0.201 3.973 4.170 0.006 0.000 0.243 657 I C 2.526 178.626 176.117 -0.028 0.000 1.093 657 I CA 1.610 62.899 61.300 -0.018 0.000 1.380 657 I CB -0.487 37.505 38.000 -0.014 0.000 1.067 657 I HN 0.505 nan 8.210 nan 0.000 0.413 658 E N 1.762 121.940 120.200 -0.036 0.000 2.077 658 E HA -0.194 4.159 4.350 0.006 0.000 0.193 658 E C 2.094 178.658 176.600 -0.060 0.000 0.989 658 E CA 1.219 57.594 56.400 -0.042 0.000 0.800 658 E CB -0.010 29.664 29.700 -0.044 0.000 0.746 658 E HN 0.505 nan 8.360 nan 0.000 0.452 659 L N 0.660 121.828 121.223 -0.091 0.000 2.591 659 L HA 0.083 4.426 4.340 0.006 0.000 0.228 659 L C 0.636 177.456 176.870 -0.083 0.000 1.133 659 L CA 0.478 55.236 54.840 -0.137 0.000 0.880 659 L CB -0.522 41.369 42.059 -0.279 0.000 1.033 659 L HN 0.136 nan 8.230 nan 0.000 0.450 660 K N 0.125 120.495 120.400 -0.049 0.000 3.148 660 K HA -0.201 4.123 4.320 0.006 0.000 0.267 660 K C 0.099 176.690 176.600 -0.015 0.000 0.996 660 K CA 0.546 56.818 56.287 -0.024 0.000 0.737 660 K CB -2.061 30.429 32.500 -0.016 0.000 1.308 660 K HN 0.205 nan 8.250 nan 0.000 0.470 661 A N 0.936 123.746 122.820 -0.016 0.000 2.492 661 A HA 0.100 4.423 4.320 0.006 0.000 0.236 661 A C 0.807 178.404 177.584 0.021 0.000 1.078 661 A CA 0.386 52.428 52.037 0.008 0.000 0.773 661 A CB 0.248 19.259 19.000 0.017 0.000 1.023 661 A HN 0.480 nan 8.150 nan 0.000 0.504 662 D N -0.283 120.136 120.400 0.033 0.000 2.354 662 D HA 0.421 5.065 4.640 0.006 0.000 0.209 662 D C 0.369 176.692 176.300 0.039 0.000 1.015 662 D CA 1.557 55.573 54.000 0.026 0.000 0.867 662 D CB 0.442 41.252 40.800 0.017 0.000 0.933 662 D HN 0.796 nan 8.370 nan 0.000 0.520 663 A N -0.151 122.706 122.820 0.062 0.000 2.586 663 A HA 0.617 4.941 4.320 0.006 0.000 0.291 663 A C -1.545 176.105 177.584 0.110 0.000 1.062 663 A CA -0.646 51.449 52.037 0.096 0.000 0.666 663 A CB 0.926 19.992 19.000 0.111 0.000 1.281 663 A HN -0.018 nan 8.150 nan 0.000 0.421 664 I N 0.452 121.103 120.570 0.136 0.000 2.569 664 I HA 0.549 4.722 4.170 0.006 0.000 0.296 664 I C -1.225 174.982 176.117 0.150 0.000 1.028 664 I CA -0.693 60.682 61.300 0.126 0.000 1.082 664 I CB 1.919 39.983 38.000 0.107 0.000 1.264 664 I HN 0.494 nan 8.210 nan 0.000 0.429 665 L N 5.204 126.504 121.223 0.128 0.000 2.404 665 L HA 0.709 5.052 4.340 0.006 0.000 0.272 665 L C -0.354 176.579 176.870 0.104 0.000 0.980 665 L CA -0.429 54.480 54.840 0.115 0.000 0.836 665 L CB 1.927 44.039 42.059 0.089 0.000 1.238 665 L HN 0.670 nan 8.230 nan 0.000 0.408 666 A N 2.039 124.919 122.820 0.099 0.000 2.331 666 A HA 0.764 5.087 4.320 0.006 0.000 0.320 666 A C -0.399 177.236 177.584 0.085 0.000 1.138 666 A CA -0.443 51.648 52.037 0.090 0.000 0.790 666 A CB 1.780 20.830 19.000 0.084 0.000 1.206 666 A HN 0.531 nan 8.150 nan 0.000 0.470 667 S N 0.693 116.444 115.700 0.085 0.000 2.578 667 S HA 0.719 5.193 4.470 0.006 0.000 0.283 667 S C -0.212 174.430 174.600 0.070 0.000 1.195 667 S CA -0.087 58.158 58.200 0.075 0.000 1.050 667 S CB 1.094 64.346 63.200 0.087 0.000 1.012 667 S HN 1.008 nan 8.310 nan 0.000 0.511 668 T N 5.445 120.030 114.554 0.051 0.000 3.223 668 T HA 0.323 4.676 4.350 0.006 0.000 0.334 668 T C 0.382 175.087 174.700 0.007 0.000 0.940 668 T CA -0.532 61.597 62.100 0.049 0.000 1.272 668 T CB -0.351 68.547 68.868 0.051 0.000 0.982 668 T HN 0.479 nan 8.240 nan 0.000 0.512 669 I N 2.690 123.287 120.570 0.044 0.000 2.512 669 I HA 0.304 4.478 4.170 0.006 0.000 0.247 669 I C 1.354 177.462 176.117 -0.015 0.000 1.094 669 I CA 0.404 61.701 61.300 -0.005 0.000 1.427 669 I CB -0.513 37.515 38.000 0.047 0.000 1.149 669 I HN 0.581 nan 8.210 nan 0.000 0.438 670 I N 2.007 122.651 120.570 0.124 0.000 2.710 670 I HA -0.100 4.073 4.170 0.006 0.000 0.286 670 I C 1.396 177.560 176.117 0.077 0.000 1.181 670 I CA 0.429 61.802 61.300 0.121 0.000 1.430 670 I CB 0.678 38.778 38.000 0.166 0.000 1.367 670 I HN 0.227 nan 8.210 nan 0.000 0.577 671 S N 3.769 119.514 115.700 0.075 0.000 2.589 671 S HA -0.019 4.455 4.470 0.006 0.000 0.235 671 S C 0.637 175.439 174.600 0.337 0.000 1.051 671 S CA -0.326 57.947 58.200 0.122 0.000 0.978 671 S CB -0.068 62.950 63.200 -0.304 0.000 0.929 671 S HN 0.743 nan 8.310 nan 0.000 0.523 672 H N 2.556 121.709 119.070 0.139 0.000 2.929 672 H HA 0.212 4.771 4.556 0.005 0.000 0.317 672 H C -0.025 175.368 175.328 0.108 0.000 1.031 672 H CA 1.621 57.737 56.048 0.113 0.000 1.466 672 H CB 0.308 30.113 29.762 0.073 0.000 1.482 672 H HN 0.274 nan 8.280 nan 0.000 0.561 673 D N 3.249 123.421 120.400 -0.381 0.000 2.802 673 D HA -0.184 4.460 4.640 0.006 0.000 0.191 673 D C -0.037 176.200 176.300 -0.106 0.000 0.962 673 D CA 1.229 55.034 54.000 -0.324 0.000 1.004 673 D CB -1.133 39.441 40.800 -0.377 0.000 1.055 673 D HN 0.879 nan 8.370 nan 0.000 0.451 674 D N -1.113 119.274 120.400 -0.022 0.000 2.945 674 D HA -0.243 4.401 4.640 0.006 0.000 0.225 674 D C 1.272 177.495 176.300 -0.130 0.000 1.158 674 D CA 0.963 54.897 54.000 -0.110 0.000 0.805 674 D CB -1.385 39.374 40.800 -0.068 0.000 1.098 674 D HN 0.539 nan 8.370 nan 0.000 0.426 675 I N 0.129 120.700 120.570 0.001 0.000 2.530 675 I HA -0.276 3.897 4.170 0.006 0.000 0.257 675 I C 2.200 178.336 176.117 0.031 0.000 1.179 675 I CA 1.948 63.266 61.300 0.031 0.000 1.440 675 I CB -0.097 37.950 38.000 0.079 0.000 1.087 675 I HN 0.419 nan 8.210 nan 0.000 0.440 676 H N -1.510 117.546 119.070 -0.023 0.000 2.403 676 H HA -0.102 4.457 4.556 0.006 0.000 0.298 676 H C 1.627 176.863 175.328 -0.153 0.000 1.059 676 H CA 1.580 57.558 56.048 -0.117 0.000 1.363 676 H CB -1.132 28.500 29.762 -0.217 0.000 1.410 676 H HN 0.400 nan 8.280 nan 0.000 0.528 677 Y N 1.610 121.690 120.300 -0.366 0.000 2.420 677 Y HA 0.086 4.639 4.550 0.005 0.000 0.292 677 Y C 2.670 178.508 175.900 -0.103 0.000 1.119 677 Y CA 0.393 58.376 58.100 -0.195 0.000 1.229 677 Y CB 0.109 38.413 38.460 -0.260 0.000 1.026 677 Y HN 0.084 nan 8.280 nan 0.000 0.554 678 K N 0.066 120.486 120.400 0.032 0.000 2.002 678 K HA -0.172 4.152 4.320 0.006 0.000 0.209 678 K C 1.696 178.321 176.600 0.042 0.000 1.048 678 K CA 1.457 57.762 56.287 0.029 0.000 0.930 678 K CB -0.191 32.313 32.500 0.007 0.000 0.714 678 K HN 0.207 nan 8.250 nan 0.000 0.438 679 N N 0.717 119.441 118.700 0.039 0.000 2.289 679 N HA -0.106 4.637 4.740 0.006 0.000 0.184 679 N C 1.606 177.154 175.510 0.063 0.000 1.016 679 N CA 1.151 54.230 53.050 0.048 0.000 0.872 679 N CB -0.025 38.491 38.487 0.048 0.000 0.973 679 N HN 0.267 nan 8.380 nan 0.000 0.433 680 M N 0.196 119.839 119.600 0.071 0.000 2.254 680 M HA -0.062 4.422 4.480 0.006 0.000 0.265 680 M C 2.055 178.418 176.300 0.105 0.000 1.066 680 M CA 0.996 56.349 55.300 0.089 0.000 1.123 680 M CB -0.081 32.576 32.600 0.095 0.000 1.388 680 M HN -0.012 nan 8.290 nan 0.000 0.425 681 K N 0.838 121.292 120.400 0.090 0.000 1.985 681 K HA -0.157 4.167 4.320 0.006 0.000 0.210 681 K C 2.068 178.740 176.600 0.120 0.000 1.047 681 K CA 1.678 58.024 56.287 0.098 0.000 0.932 681 K CB 0.019 32.557 32.500 0.063 0.000 0.716 681 K HN 0.144 nan 8.250 nan 0.000 0.439 682 R N 0.526 121.074 120.500 0.080 0.000 2.103 682 R HA -0.141 4.202 4.340 0.006 0.000 0.242 682 R C 2.245 178.583 176.300 0.062 0.000 1.142 682 R CA 1.738 57.874 56.100 0.062 0.000 0.960 682 R CB -0.440 29.886 30.300 0.043 0.000 0.858 682 R HN 0.270 nan 8.270 nan 0.000 0.439 683 I N -0.926 119.692 120.570 0.080 0.000 2.142 683 I HA -0.293 3.881 4.170 0.006 0.000 0.240 683 I C 2.477 178.644 176.117 0.084 0.000 1.078 683 I CA 1.754 63.099 61.300 0.076 0.000 1.343 683 I CB -0.451 37.602 38.000 0.088 0.000 1.046 683 I HN 0.253 nan 8.210 nan 0.000 0.405 684 H N 1.246 120.341 119.070 0.041 0.000 2.319 684 H HA -0.207 4.353 4.556 0.006 0.000 0.297 684 H C 2.061 177.408 175.328 0.032 0.000 1.097 684 H CA 2.235 58.307 56.048 0.040 0.000 1.285 684 H CB -0.055 29.731 29.762 0.040 0.000 1.368 684 H HN 0.349 nan 8.280 nan 0.000 0.495 685 E N 0.109 120.246 120.200 -0.105 0.000 2.047 685 E HA -0.113 4.241 4.350 0.006 0.000 0.191 685 E C 2.498 179.027 176.600 -0.118 0.000 0.987 685 E CA 0.996 57.309 56.400 -0.145 0.000 0.799 685 E CB -0.071 29.646 29.700 0.028 0.000 0.752 685 E HN 0.459 nan 8.360 nan 0.000 0.449 686 L N 0.690 121.881 121.223 -0.054 0.000 2.079 686 L HA -0.221 4.122 4.340 0.006 0.000 0.210 686 L C 2.462 179.298 176.870 -0.057 0.000 1.081 686 L CA 1.092 55.910 54.840 -0.038 0.000 0.752 686 L CB -0.322 41.730 42.059 -0.011 0.000 0.896 686 L HN 0.159 nan 8.230 nan 0.000 0.433 687 A N -1.421 121.350 122.820 -0.082 0.000 2.016 687 A HA -0.089 4.234 4.320 0.006 0.000 0.217 687 A C 2.297 179.818 177.584 -0.105 0.000 1.162 687 A CA 1.161 53.153 52.037 -0.075 0.000 0.662 687 A CB -0.415 18.553 19.000 -0.054 0.000 0.812 687 A HN 0.209 nan 8.150 nan 0.000 0.450 688 V N 0.047 119.854 119.914 -0.179 0.000 2.535 688 V HA -0.106 4.018 4.120 0.006 0.000 0.246 688 V C 2.076 178.121 176.094 -0.083 0.000 1.045 688 V CA 1.874 64.081 62.300 -0.155 0.000 1.058 688 V CB -0.142 31.535 31.823 -0.244 0.000 0.689 688 V HN 0.773 nan 8.190 nan 0.000 0.461 689 E N -0.511 119.645 120.200 -0.074 0.000 2.438 689 E HA -0.077 4.277 4.350 0.006 0.000 0.192 689 E C 1.123 177.704 176.600 -0.031 0.000 1.110 689 E CA 0.284 56.659 56.400 -0.042 0.000 0.893 689 E CB 0.150 29.829 29.700 -0.034 0.000 0.990 689 E HN 0.414 nan 8.360 nan 0.000 0.490 690 K N -1.336 119.044 120.400 -0.034 0.000 2.521 690 K HA 0.162 4.486 4.320 0.006 0.000 0.213 690 K C 1.000 177.588 176.600 -0.020 0.000 1.223 690 K CA 0.608 56.880 56.287 -0.023 0.000 1.013 690 K CB 1.566 34.053 32.500 -0.022 0.000 1.017 690 K HN 0.212 nan 8.250 nan 0.000 0.591 691 G N 2.341 111.127 108.800 -0.024 0.000 2.241 691 G HA2 -0.303 3.660 3.960 0.006 0.000 0.244 691 G HA3 -0.303 3.660 3.960 0.006 0.000 0.244 691 G C 0.985 175.877 174.900 -0.014 0.000 0.998 691 G CA 0.467 45.557 45.100 -0.017 0.000 0.621 691 G HN 0.333 nan 8.290 nan 0.000 0.519 692 I N -1.580 118.981 120.570 -0.016 0.000 3.059 692 I HA 0.324 4.497 4.170 0.006 0.000 0.270 692 I C 2.071 178.186 176.117 -0.003 0.000 1.238 692 I CA 1.164 62.460 61.300 -0.007 0.000 1.478 692 I CB -0.199 37.798 38.000 -0.004 0.000 1.097 692 I HN 0.056 nan 8.210 nan 0.000 0.455 693 R N 2.973 123.461 120.500 -0.019 0.000 2.421 693 R HA -0.151 4.193 4.340 0.006 0.000 0.208 693 R C 0.640 176.955 176.300 0.024 0.000 1.103 693 R CA 1.431 57.521 56.100 -0.017 0.000 1.065 693 R CB -0.976 29.268 30.300 -0.093 0.000 0.839 693 R HN 0.786 nan 8.270 nan 0.000 0.480 694 D N -2.993 117.420 120.400 0.022 0.000 2.562 694 D HA 0.050 4.694 4.640 0.006 0.000 0.246 694 D C 0.270 176.585 176.300 0.025 0.000 1.347 694 D CA -0.294 53.725 54.000 0.033 0.000 0.800 694 D CB -0.047 40.770 40.800 0.030 0.000 1.111 694 D HN 0.107 nan 8.370 nan 0.000 0.508 695 K N 0.581 120.993 120.400 0.021 0.000 2.592 695 K HA 0.399 4.722 4.320 0.006 0.000 0.203 695 K C -0.639 175.973 176.600 0.020 0.000 1.070 695 K CA -0.152 56.145 56.287 0.016 0.000 1.062 695 K CB 1.193 33.699 32.500 0.009 0.000 0.814 695 K HN 0.140 nan 8.250 nan 0.000 0.502 696 I N 0.773 121.363 120.570 0.033 0.000 2.722 696 I HA 0.356 4.530 4.170 0.006 0.000 0.295 696 I C -1.477 174.685 176.117 0.075 0.000 1.161 696 I CA -1.034 60.293 61.300 0.045 0.000 1.032 696 I CB 1.898 39.924 38.000 0.044 0.000 1.244 696 I HN -0.012 nan 8.210 nan 0.000 0.421 697 M N 7.121 126.775 119.600 0.091 0.000 2.318 697 M HA 0.527 5.011 4.480 0.006 0.000 0.347 697 M C -0.892 175.549 176.300 0.234 0.000 1.175 697 M CA -0.383 55.017 55.300 0.166 0.000 1.075 697 M CB 1.618 34.285 32.600 0.113 0.000 1.614 697 M HN 0.303 nan 8.290 nan 0.000 0.456 698 I N 1.376 122.117 120.570 0.286 0.000 2.433 698 I HA 0.654 4.828 4.170 0.006 0.000 0.292 698 I C 0.114 176.384 176.117 0.254 0.000 1.001 698 I CA -0.646 60.801 61.300 0.245 0.000 1.119 698 I CB 1.968 40.079 38.000 0.185 0.000 1.289 698 I HN 0.782 nan 8.210 nan 0.000 0.438 699 G N 4.760 113.690 108.800 0.218 0.000 2.542 699 G HA2 0.665 4.628 3.960 0.006 0.000 0.311 699 G HA3 0.665 4.628 3.960 0.006 0.000 0.311 699 G C -1.274 173.722 174.900 0.160 0.000 1.298 699 G CA -0.291 44.892 45.100 0.138 0.000 0.973 699 G HN 0.675 nan 8.290 nan 0.000 0.487 700 C N -0.270 119.145 119.300 0.191 0.000 3.080 700 C HA 1.074 5.538 4.460 0.006 0.000 0.307 700 C C 0.513 175.648 174.990 0.243 0.000 1.311 700 C CA -0.234 58.883 59.018 0.165 0.000 1.533 700 C CB 1.680 29.483 27.740 0.104 0.000 1.970 700 C HN 1.234 nan 8.230 nan 0.000 0.467 701 G N -0.657 108.236 108.800 0.155 0.000 2.601 701 G HA2 0.794 4.757 3.960 0.006 0.000 0.291 701 G HA3 0.794 4.757 3.960 0.006 0.000 0.291 701 G C -1.106 173.830 174.900 0.059 0.000 1.456 701 G CA 0.235 45.428 45.100 0.155 0.000 0.804 701 G HN 1.469 nan 8.290 nan 0.000 0.499 702 G N -1.504 107.310 108.800 0.023 0.000 2.466 702 G HA2 0.554 4.518 3.960 0.006 0.000 0.291 702 G HA3 0.554 4.518 3.960 0.006 0.000 0.291 702 G C 0.632 175.495 174.900 -0.061 0.000 1.460 702 G CA 0.753 45.830 45.100 -0.039 0.000 0.791 702 G HN 0.937 nan 8.290 nan 0.000 0.505 703 T N 0.523 115.021 114.554 -0.093 0.000 2.665 703 T HA -0.133 4.220 4.350 0.006 0.000 0.268 703 T C 1.513 176.152 174.700 -0.103 0.000 1.035 703 T CA 1.535 63.582 62.100 -0.089 0.000 1.151 703 T CB -0.095 68.707 68.868 -0.111 0.000 0.862 703 T HN 0.365 nan 8.240 nan 0.000 0.438 704 Q N 0.997 120.680 119.800 -0.195 0.000 2.217 704 Q HA 0.325 4.669 4.340 0.006 0.000 0.226 704 Q C -0.505 175.387 176.000 -0.181 0.000 0.875 704 Q CA -0.039 55.639 55.803 -0.209 0.000 0.974 704 Q CB -0.023 28.510 28.738 -0.342 0.000 1.079 704 Q HN 0.330 nan 8.270 nan 0.000 0.463 705 V N 1.599 121.445 119.914 -0.114 0.000 2.364 705 V HA 0.203 4.327 4.120 0.006 0.000 0.272 705 V C 0.364 176.504 176.094 0.077 0.000 1.036 705 V CA -0.195 62.081 62.300 -0.041 0.000 0.880 705 V CB 1.427 33.221 31.823 -0.048 0.000 0.991 705 V HN 0.077 nan 8.190 nan 0.000 0.460 706 T N 9.238 123.921 114.554 0.215 0.000 2.749 706 T HA 0.227 4.581 4.350 0.006 0.000 0.295 706 T C -1.640 173.113 174.700 0.089 0.000 0.936 706 T CA -0.929 61.252 62.100 0.134 0.000 1.060 706 T CB 1.580 70.530 68.868 0.137 0.000 0.904 706 T HN 0.475 nan 8.240 nan 0.000 0.500 707 P HA -0.031 nan 4.420 nan 0.000 0.225 707 P C 0.895 178.145 177.300 -0.083 0.000 1.148 707 P CA 0.788 63.822 63.100 -0.108 0.000 0.779 707 P CB 0.315 31.892 31.700 -0.204 0.000 0.780 708 E N -1.386 118.786 120.200 -0.047 0.000 2.318 708 E HA -0.024 4.329 4.350 0.006 0.000 0.193 708 E C 1.785 178.356 176.600 -0.048 0.000 0.998 708 E CA 0.386 56.754 56.400 -0.052 0.000 0.859 708 E CB -0.611 29.059 29.700 -0.050 0.000 0.812 708 E HN 0.027 nan 8.360 nan 0.000 0.492 709 V N 0.437 120.337 119.914 -0.023 0.000 2.591 709 V HA -0.036 4.088 4.120 0.006 0.000 0.249 709 V C 1.966 178.043 176.094 -0.028 0.000 1.053 709 V CA 1.573 63.812 62.300 -0.101 0.000 1.068 709 V CB -0.265 31.406 31.823 -0.254 0.000 0.689 709 V HN 0.297 nan 8.190 nan 0.000 0.462 710 A N -0.590 122.304 122.820 0.123 0.000 2.218 710 A HA 0.107 4.430 4.320 0.006 0.000 0.209 710 A C 2.106 179.707 177.584 0.028 0.000 1.168 710 A CA 0.678 52.813 52.037 0.163 0.000 0.804 710 A CB -0.094 19.014 19.000 0.180 0.000 0.834 710 A HN 0.318 nan 8.150 nan 0.000 0.482 711 V N 0.311 120.209 119.914 -0.028 0.000 2.788 711 V HA -0.055 4.068 4.120 0.006 0.000 0.251 711 V C 1.081 177.131 176.094 -0.072 0.000 1.068 711 V CA 1.031 63.297 62.300 -0.057 0.000 1.090 711 V CB -0.333 31.451 31.823 -0.067 0.000 0.710 711 V HN 0.316 nan 8.190 nan 0.000 0.467 712 K N 1.321 121.678 120.400 -0.071 0.000 3.225 712 K HA 0.125 4.449 4.320 0.006 0.000 0.282 712 K C 0.678 177.224 176.600 -0.091 0.000 1.060 712 K CA 0.281 56.514 56.287 -0.089 0.000 1.186 712 K CB 0.027 32.466 32.500 -0.102 0.000 1.214 712 K HN 0.482 nan 8.250 nan 0.000 0.428 713 Q N -1.809 117.933 119.800 -0.096 0.000 2.104 713 Q HA 0.135 4.479 4.340 0.006 0.000 0.240 713 Q C 1.057 176.937 176.000 -0.200 0.000 0.743 713 Q CA 0.782 56.538 55.803 -0.079 0.000 0.920 713 Q CB 1.708 30.456 28.738 0.016 0.000 1.198 713 Q HN 0.476 nan 8.270 nan 0.000 0.465 714 G N 1.078 109.676 108.800 -0.336 0.000 2.705 714 G HA2 -0.190 3.774 3.960 0.006 0.000 0.193 714 G HA3 -0.190 3.774 3.960 0.006 0.000 0.193 714 G C 0.185 174.864 174.900 -0.367 0.000 1.015 714 G CA 0.090 44.655 45.100 -0.892 0.000 0.743 714 G HN 0.294 nan 8.290 nan 0.000 0.476 715 V N -0.514 119.347 119.914 -0.088 0.000 2.997 715 V HA 0.717 4.840 4.120 0.006 0.000 0.311 715 V C 0.928 177.039 176.094 0.029 0.000 1.066 715 V CA 0.457 62.788 62.300 0.052 0.000 1.039 715 V CB 1.619 33.491 31.823 0.080 0.000 1.081 715 V HN 0.057 nan 8.190 nan 0.000 0.467 716 D N 2.026 122.475 120.400 0.082 0.000 2.323 716 D HA 0.352 4.995 4.640 0.006 0.000 0.209 716 D C 0.628 176.898 176.300 -0.050 0.000 0.973 716 D CA 1.555 55.613 54.000 0.097 0.000 0.874 716 D CB 0.758 41.740 40.800 0.303 0.000 0.930 716 D HN 1.007 nan 8.370 nan 0.000 0.521 717 A N 0.113 122.818 122.820 -0.193 0.000 2.555 717 A HA 0.590 4.913 4.320 0.006 0.000 0.297 717 A C -0.217 177.139 177.584 -0.379 0.000 1.060 717 A CA -0.400 51.372 52.037 -0.442 0.000 0.710 717 A CB 1.458 19.912 19.000 -0.911 0.000 1.282 717 A HN 0.051 nan 8.150 nan 0.000 0.399 718 G N -0.062 108.454 108.800 -0.473 0.000 2.441 718 G HA2 0.754 4.717 3.960 0.006 0.000 0.334 718 G HA3 0.754 4.717 3.960 0.006 0.000 0.334 718 G C -1.227 173.293 174.900 -0.634 0.000 1.161 718 G CA -0.621 44.299 45.100 -0.300 0.000 0.935 718 G HN 0.524 nan 8.290 nan 0.000 0.488 719 F N -0.417 119.497 119.950 -0.060 0.000 2.561 719 F HA 0.638 5.169 4.527 0.006 0.000 0.313 719 F C 0.683 176.466 175.800 -0.029 0.000 1.126 719 F CA -0.414 57.557 58.000 -0.048 0.000 0.918 719 F CB 2.626 41.606 39.000 -0.034 0.000 1.199 719 F HN 0.780 nan 8.300 nan 0.000 0.444 720 G N 1.497 110.367 108.800 0.118 0.000 3.107 720 G HA2 0.523 4.487 3.960 0.006 0.000 0.232 720 G HA3 0.523 4.487 3.960 0.006 0.000 0.232 720 G C -0.703 174.237 174.900 0.067 0.000 1.339 720 G CA -1.141 43.995 45.100 0.060 0.000 1.033 720 G HN 0.500 nan 8.290 nan 0.000 0.567 721 R N -0.585 119.936 120.500 0.034 0.000 2.678 721 R HA 0.270 4.614 4.340 0.006 0.000 0.264 721 R C 1.091 177.427 176.300 0.059 0.000 0.995 721 R CA 1.338 57.458 56.100 0.034 0.000 1.098 721 R CB -0.138 30.172 30.300 0.017 0.000 0.949 721 R HN 1.275 nan 8.270 nan 0.000 0.422 722 G N 2.044 110.884 108.800 0.066 0.000 2.370 722 G HA2 -0.274 3.690 3.960 0.006 0.000 0.293 722 G HA3 -0.274 3.690 3.960 0.006 0.000 0.293 722 G C -0.551 174.456 174.900 0.179 0.000 0.992 722 G CA 0.502 45.658 45.100 0.094 0.000 1.247 722 G HN 0.579 nan 8.290 nan 0.000 0.505 723 S N -0.173 115.651 115.700 0.207 0.000 2.526 723 S HA 0.836 5.310 4.470 0.006 0.000 0.293 723 S C -0.211 174.528 174.600 0.231 0.000 1.092 723 S CA -1.129 57.312 58.200 0.403 0.000 0.980 723 S CB 2.748 66.196 63.200 0.413 0.000 1.048 723 S HN 0.605 nan 8.310 nan 0.000 0.483 724 K N 0.613 121.075 120.400 0.103 0.000 2.306 724 K HA 0.584 4.908 4.320 0.006 0.000 0.236 724 K C 1.347 177.888 176.600 -0.098 0.000 1.013 724 K CA -1.095 55.129 56.287 -0.105 0.000 0.857 724 K CB 0.905 33.273 32.500 -0.220 0.000 1.214 724 K HN 0.650 nan 8.250 nan 0.000 0.449 725 G N 0.993 109.772 108.800 -0.035 0.000 2.469 725 G HA2 -0.272 3.691 3.960 0.006 0.000 0.220 725 G HA3 -0.272 3.691 3.960 0.006 0.000 0.220 725 G C 1.340 176.340 174.900 0.166 0.000 1.136 725 G CA 1.086 46.215 45.100 0.048 0.000 0.759 725 G HN 0.615 nan 8.290 nan 0.000 0.562 726 I N 0.340 121.005 120.570 0.158 0.000 2.208 726 I HA -0.210 3.964 4.170 0.006 0.000 0.245 726 I C 2.542 178.698 176.117 0.064 0.000 1.097 726 I CA 1.931 63.300 61.300 0.114 0.000 1.363 726 I CB -0.373 37.640 38.000 0.022 0.000 1.051 726 I HN 0.403 nan 8.210 nan 0.000 0.413 727 H N -0.930 118.219 119.070 0.131 0.000 2.319 727 H HA -0.169 4.390 4.556 0.006 0.000 0.297 727 H C 2.191 177.660 175.328 0.234 0.000 1.097 727 H CA 1.797 57.960 56.048 0.191 0.000 1.285 727 H CB -0.324 29.591 29.762 0.255 0.000 1.368 727 H HN 0.291 nan 8.280 nan 0.000 0.495 728 V N 0.755 120.794 119.914 0.207 0.000 2.323 728 V HA -0.200 3.924 4.120 0.006 0.000 0.244 728 V C 2.647 178.887 176.094 0.244 0.000 1.041 728 V CA 1.488 63.846 62.300 0.096 0.000 1.025 728 V CB -0.925 30.799 31.823 -0.164 0.000 0.656 728 V HN 0.533 nan 8.190 nan 0.000 0.451 729 A N -0.217 122.694 122.820 0.152 0.000 1.969 729 A HA -0.178 4.146 4.320 0.006 0.000 0.218 729 A C 2.366 179.962 177.584 0.020 0.000 1.169 729 A CA 2.299 54.383 52.037 0.079 0.000 0.635 729 A CB -0.853 18.171 19.000 0.040 0.000 0.810 729 A HN 0.492 nan 8.150 nan 0.000 0.445 730 T N -0.561 114.032 114.554 0.065 0.000 2.614 730 T HA -0.130 4.224 4.350 0.006 0.000 0.263 730 T C 1.596 176.372 174.700 0.127 0.000 1.055 730 T CA 1.676 63.817 62.100 0.069 0.000 1.162 730 T CB -0.483 68.456 68.868 0.118 0.000 0.863 730 T HN 0.587 nan 8.240 nan 0.000 0.414 731 F N 1.847 121.868 119.950 0.119 0.000 2.063 731 F HA -0.197 4.335 4.527 0.007 0.000 0.298 731 F C 1.990 177.848 175.800 0.096 0.000 1.105 731 F CA 1.386 59.467 58.000 0.136 0.000 1.215 731 F CB -0.846 38.312 39.000 0.262 0.000 0.972 731 F HN 0.086 nan 8.300 nan 0.000 0.483 732 L N -0.406 120.615 121.223 -0.336 0.000 2.081 732 L HA -0.214 4.130 4.340 0.006 0.000 0.212 732 L C 2.575 179.262 176.870 -0.304 0.000 1.080 732 L CA 1.519 56.083 54.840 -0.460 0.000 0.754 732 L CB -0.556 41.447 42.059 -0.093 0.000 0.893 732 L HN 0.366 nan 8.230 nan 0.000 0.433 733 V N -1.612 118.201 119.914 -0.169 0.000 2.949 733 V HA -0.116 4.007 4.120 0.006 0.000 0.245 733 V C 2.360 178.391 176.094 -0.106 0.000 1.086 733 V CA 0.940 63.170 62.300 -0.117 0.000 1.097 733 V CB 0.170 31.948 31.823 -0.075 0.000 0.762 733 V HN 0.320 nan 8.190 nan 0.000 0.470 734 K N 0.420 120.767 120.400 -0.089 0.000 1.969 734 K HA -0.248 4.076 4.320 0.006 0.000 0.216 734 K C 2.155 178.711 176.600 -0.075 0.000 1.048 734 K CA 2.199 58.457 56.287 -0.049 0.000 0.948 734 K CB -0.287 32.220 32.500 0.011 0.000 0.726 734 K HN 0.294 nan 8.250 nan 0.000 0.442 735 K N 1.321 121.637 120.400 -0.139 0.000 2.519 735 K HA -0.125 4.198 4.320 0.006 0.000 0.196 735 K C 1.762 178.269 176.600 -0.156 0.000 1.041 735 K CA 1.032 57.235 56.287 -0.140 0.000 0.954 735 K CB -0.056 32.313 32.500 -0.218 0.000 0.774 735 K HN 0.084 nan 8.250 nan 0.000 0.480 736 R N 0.002 120.401 120.500 -0.168 0.000 2.090 736 R HA 0.034 4.377 4.340 0.006 0.000 0.219 736 R C 1.743 178.006 176.300 -0.063 0.000 1.100 736 R CA 0.801 56.833 56.100 -0.114 0.000 0.991 736 R CB -0.048 30.184 30.300 -0.114 0.000 0.893 736 R HN 0.104 nan 8.270 nan 0.000 0.443 737 R N 0.683 121.150 120.500 -0.055 0.000 2.127 737 R HA -0.139 4.205 4.340 0.006 0.000 0.238 737 R C 2.064 178.351 176.300 -0.021 0.000 1.134 737 R CA 1.624 57.704 56.100 -0.032 0.000 0.975 737 R CB -0.245 30.038 30.300 -0.028 0.000 0.865 737 R HN 0.408 nan 8.270 nan 0.000 0.447 738 E N 0.376 120.562 120.200 -0.022 0.000 2.401 738 E HA -0.163 4.190 4.350 0.006 0.000 0.199 738 E C 0.579 177.177 176.600 -0.002 0.000 1.023 738 E CA 0.923 57.320 56.400 -0.006 0.000 0.859 738 E CB 0.187 29.889 29.700 0.004 0.000 0.780 738 E HN 0.281 nan 8.360 nan 0.000 0.523 739 M N -0.928 118.667 119.600 -0.008 0.000 2.502 739 M HA 0.252 4.735 4.480 0.006 0.000 0.351 739 M C 0.341 176.639 176.300 -0.004 0.000 1.118 739 M CA -0.068 55.231 55.300 -0.002 0.000 0.952 739 M CB 1.602 34.203 32.600 0.001 0.000 1.424 739 M HN -0.101 nan 8.290 nan 0.000 0.529 740 R N 0.000 120.496 120.500 -0.007 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 740 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535