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 3kp0_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 0.000 176.879 176.870 0.016 0.000 1.165 5 L CA 0.000 54.850 54.840 0.016 0.000 0.813 5 L CB 0.000 42.070 42.059 0.019 0.000 0.961 6 Q N -0.338 119.472 119.800 0.017 0.000 2.244 6 Q HA 0.096 4.440 4.340 0.006 0.000 0.362 6 Q C -1.062 174.953 176.000 0.026 0.000 0.497 6 Q CA -0.283 55.531 55.803 0.019 0.000 1.182 6 Q CB 0.515 29.262 28.738 0.016 0.000 0.864 6 Q HN 0.057 nan 8.270 nan 0.000 0.434 7 L N 2.738 123.980 121.223 0.031 0.000 3.212 7 L HA -0.233 4.111 4.340 0.006 0.000 0.540 7 L C -1.022 175.883 176.870 0.058 0.000 1.001 7 L CA 0.971 55.840 54.840 0.048 0.000 1.266 7 L CB -0.357 41.740 42.059 0.063 0.000 1.138 7 L HN 0.445 nan 8.230 nan 0.000 0.581 8 R N 3.041 123.572 120.500 0.053 0.000 2.480 8 R HA 0.324 4.667 4.340 0.006 0.000 0.306 8 R C 0.962 177.296 176.300 0.056 0.000 0.958 8 R CA -0.320 55.811 56.100 0.052 0.000 0.861 8 R CB 1.817 32.134 30.300 0.029 0.000 1.171 8 R HN 0.498 nan 8.270 nan 0.000 0.445 9 V N 0.006 119.973 119.914 0.087 0.000 2.688 9 V HA -0.214 3.910 4.120 0.006 0.000 0.256 9 V C 1.102 177.174 176.094 -0.036 0.000 1.084 9 V CA 1.859 64.213 62.300 0.090 0.000 1.103 9 V CB -0.575 31.367 31.823 0.199 0.000 0.688 9 V HN 0.854 nan 8.190 nan 0.000 0.480 10 N N -0.528 118.158 118.700 -0.023 0.000 2.203 10 N HA 0.122 4.866 4.740 0.006 0.000 0.207 10 N C 0.222 175.704 175.510 -0.046 0.000 1.130 10 N CA -0.111 52.909 53.050 -0.051 0.000 0.861 10 N CB 0.204 38.671 38.487 -0.033 0.000 1.005 10 N HN 0.697 nan 8.380 nan 0.000 0.507 11 E N 0.960 121.140 120.200 -0.032 0.000 2.214 11 E HA 0.281 4.635 4.350 0.006 0.000 0.274 11 E C -0.404 176.172 176.600 -0.039 0.000 0.977 11 E CA -0.673 55.710 56.400 -0.029 0.000 0.827 11 E CB 2.083 31.776 29.700 -0.011 0.000 1.130 11 E HN 0.087 nan 8.360 nan 0.000 0.394 12 K N 1.214 121.590 120.400 -0.041 0.000 2.187 12 K HA 0.198 4.522 4.320 0.006 0.000 0.247 12 K C 0.114 176.697 176.600 -0.027 0.000 1.019 12 K CA -0.307 55.953 56.287 -0.044 0.000 0.893 12 K CB 0.460 32.934 32.500 -0.044 0.000 1.025 12 K HN 0.304 nan 8.250 nan 0.000 0.500 13 L N 1.595 122.802 121.223 -0.027 0.000 2.416 13 L HA -0.018 4.326 4.340 0.006 0.000 0.272 13 L C 0.445 177.303 176.870 -0.020 0.000 1.161 13 L CA -0.039 54.791 54.840 -0.017 0.000 0.845 13 L CB 0.315 42.363 42.059 -0.017 0.000 1.119 13 L HN 0.493 nan 8.230 nan 0.000 0.464 14 D N 2.748 123.140 120.400 -0.014 0.000 2.435 14 D HA 0.025 4.668 4.640 0.006 0.000 0.230 14 D C 0.701 176.990 176.300 -0.019 0.000 1.215 14 D CA 0.116 54.107 54.000 -0.014 0.000 0.947 14 D CB 1.356 42.151 40.800 -0.008 0.000 1.048 14 D HN 0.318 nan 8.370 nan 0.000 0.512 15 V N 3.595 123.492 119.914 -0.028 0.000 2.488 15 V HA -0.087 4.037 4.120 0.006 0.000 0.246 15 V C 1.827 177.904 176.094 -0.028 0.000 1.046 15 V CA 1.594 63.869 62.300 -0.041 0.000 1.053 15 V CB -0.067 31.715 31.823 -0.069 0.000 0.679 15 V HN 0.505 nan 8.190 nan 0.000 0.458 16 E N 0.177 120.365 120.200 -0.020 0.000 2.150 16 E HA -0.241 4.113 4.350 0.006 0.000 0.193 16 E C 1.945 178.548 176.600 0.004 0.000 0.985 16 E CA 1.305 57.701 56.400 -0.005 0.000 0.814 16 E CB -0.118 29.580 29.700 -0.004 0.000 0.752 16 E HN 0.724 nan 8.360 nan 0.000 0.466 17 N N 0.162 118.862 118.700 -0.001 0.000 2.396 17 N HA -0.054 4.690 4.740 0.006 0.000 0.180 17 N C 1.422 176.933 175.510 0.001 0.000 1.028 17 N CA 0.688 53.740 53.050 0.002 0.000 0.893 17 N CB 0.078 38.565 38.487 0.000 0.000 0.967 17 N HN 0.201 nan 8.380 nan 0.000 0.440 18 I N -0.224 120.343 120.570 -0.006 0.000 2.716 18 I HA -0.091 4.083 4.170 0.006 0.000 0.259 18 I C 1.494 177.611 176.117 0.001 0.000 1.172 18 I CA 0.409 61.699 61.300 -0.018 0.000 1.478 18 I CB 0.054 38.034 38.000 -0.033 0.000 1.104 18 I HN 0.140 nan 8.210 nan 0.000 0.439 19 L N 0.374 121.616 121.223 0.030 0.000 2.291 19 L HA -0.050 4.293 4.340 0.006 0.000 0.214 19 L C 0.832 177.736 176.870 0.056 0.000 1.120 19 L CA 0.650 55.530 54.840 0.066 0.000 0.799 19 L CB -0.539 41.574 42.059 0.090 0.000 0.925 19 L HN 0.105 nan 8.230 nan 0.000 0.446 20 K N 1.247 121.669 120.400 0.037 0.000 2.401 20 K HA 0.014 4.338 4.320 0.006 0.000 0.278 20 K C -0.155 176.463 176.600 0.030 0.000 1.018 20 K CA -0.016 56.292 56.287 0.035 0.000 0.981 20 K CB 0.443 32.958 32.500 0.026 0.000 0.933 20 K HN 0.044 nan 8.250 nan 0.000 0.477 21 D N 1.490 121.909 120.400 0.031 0.000 2.981 21 D HA -0.202 4.441 4.640 0.006 0.000 0.223 21 D C 0.737 177.033 176.300 -0.007 0.000 1.151 21 D CA 0.580 54.588 54.000 0.014 0.000 0.827 21 D CB -1.290 39.521 40.800 0.019 0.000 1.101 21 D HN 0.532 nan 8.370 nan 0.000 0.426 22 L N 0.320 121.536 121.223 -0.012 0.000 2.131 22 L HA -0.208 4.135 4.340 0.006 0.000 0.210 22 L C 2.314 178.990 176.870 -0.324 0.000 1.092 22 L CA 2.262 57.065 54.840 -0.062 0.000 0.759 22 L CB -0.373 41.707 42.059 0.035 0.000 0.903 22 L HN 0.198 nan 8.230 nan 0.000 0.435 23 D N -0.725 119.386 120.400 -0.482 0.000 2.221 23 D HA -0.232 4.412 4.640 0.006 0.000 0.204 23 D C 1.805 177.917 176.300 -0.313 0.000 0.982 23 D CA 1.042 54.630 54.000 -0.687 0.000 0.857 23 D CB -0.106 40.532 40.800 -0.270 0.000 0.934 23 D HN 0.144 nan 8.370 nan 0.000 0.475 24 K N -0.655 119.655 120.400 -0.149 0.000 2.361 24 K HA -0.010 4.314 4.320 0.006 0.000 0.196 24 K C 0.088 176.654 176.600 -0.057 0.000 1.039 24 K CA -0.185 56.055 56.287 -0.077 0.000 1.001 24 K CB -0.260 32.221 32.500 -0.032 0.000 0.795 24 K HN 0.362 nan 8.250 nan 0.000 0.495 25 Y N 2.488 122.711 120.300 -0.128 0.000 2.526 25 Y HA -0.035 4.519 4.550 0.006 0.000 0.330 25 Y C -0.419 175.445 175.900 -0.059 0.000 1.156 25 Y CA 0.555 58.606 58.100 -0.081 0.000 1.419 25 Y CB 0.563 38.981 38.460 -0.070 0.000 1.250 25 Y HN -0.180 nan 8.280 nan 0.000 0.540 26 T N 9.110 122.973 114.554 -1.151 0.000 2.879 26 T HA 0.295 4.648 4.350 0.006 0.000 0.290 26 T C -2.810 171.290 174.700 -1.001 0.000 0.993 26 T CA -1.491 60.091 62.100 -0.865 0.000 0.975 26 T CB 1.425 70.073 68.868 -0.367 0.000 0.981 26 T HN 0.453 nan 8.240 nan 0.000 0.439 27 P HA 0.054 nan 4.420 nan 0.000 0.261 27 P C 0.292 177.521 177.300 -0.118 0.000 1.165 27 P CA 0.130 63.136 63.100 -0.156 0.000 0.759 27 P CB 0.994 32.697 31.700 0.005 0.000 0.772 28 K N 2.272 122.656 120.400 -0.027 0.000 2.243 28 K HA -0.024 4.299 4.320 0.006 0.000 0.201 28 K C 1.012 177.596 176.600 -0.026 0.000 1.051 28 K CA 0.932 57.203 56.287 -0.027 0.000 0.970 28 K CB 0.106 32.613 32.500 0.013 0.000 0.755 28 K HN 0.560 nan 8.250 nan 0.000 0.465 29 R N -0.493 119.996 120.500 -0.017 0.000 2.831 29 R HA 0.545 4.888 4.340 0.006 0.000 0.266 29 R C -1.136 175.149 176.300 -0.025 0.000 1.051 29 R CA -1.165 54.917 56.100 -0.030 0.000 0.943 29 R CB 1.066 31.342 30.300 -0.039 0.000 1.228 29 R HN -0.239 nan 8.270 nan 0.000 0.467 30 R N -0.450 120.023 120.500 -0.044 0.000 2.686 30 R HA 0.675 5.018 4.340 0.006 0.000 0.286 30 R C -0.428 175.843 176.300 -0.048 0.000 0.969 30 R CA 0.552 56.623 56.100 -0.047 0.000 0.898 30 R CB 2.077 32.319 30.300 -0.098 0.000 1.183 30 R HN 0.990 nan 8.270 nan 0.000 0.456 31 G N 1.611 110.401 108.800 -0.016 0.000 2.681 31 G HA2 -0.261 3.702 3.960 0.006 0.000 0.220 31 G HA3 -0.261 3.702 3.960 0.006 0.000 0.220 31 G C -1.206 173.706 174.900 0.020 0.000 1.353 31 G CA -0.412 44.697 45.100 0.015 0.000 0.872 31 G HN 0.527 nan 8.290 nan 0.000 0.557 32 W N 1.786 122.975 121.300 -0.186 0.000 2.313 32 W HA 0.586 5.249 4.660 0.006 0.000 0.328 32 W C 0.390 176.698 176.519 -0.353 0.000 1.197 32 W CA 0.471 57.624 57.345 -0.320 0.000 1.235 32 W CB 1.499 30.693 29.460 -0.445 0.000 1.158 32 W HN 1.086 nan 8.180 nan 0.000 0.578 33 T N 1.796 115.839 114.554 -0.852 0.000 2.881 33 T HA 0.415 4.769 4.350 0.006 0.000 0.290 33 T C -0.999 173.267 174.700 -0.723 0.000 1.000 33 T CA -0.569 61.193 62.100 -0.563 0.000 0.978 33 T CB 0.982 69.628 68.868 -0.371 0.000 0.997 33 T HN 0.411 nan 8.240 nan 0.000 0.443 34 W N 1.404 122.654 121.300 -0.083 0.000 2.415 34 W HA 0.599 5.263 4.660 0.006 0.000 0.355 34 W C 0.844 177.330 176.519 -0.055 0.000 1.161 34 W CA -1.387 55.952 57.345 -0.009 0.000 1.315 34 W CB 0.919 30.433 29.460 0.090 0.000 1.261 34 W HN 0.458 nan 8.180 nan 0.000 0.636 35 R N 1.681 122.320 120.500 0.231 0.000 2.490 35 R HA 0.146 4.489 4.340 0.006 0.000 0.280 35 R C -0.132 176.229 176.300 0.103 0.000 1.077 35 R CA -0.702 55.459 56.100 0.102 0.000 1.065 35 R CB 0.446 30.789 30.300 0.072 0.000 1.003 35 R HN 0.295 nan 8.270 nan 0.000 0.470 36 Q N 2.761 122.593 119.800 0.053 0.000 2.267 36 Q HA 0.253 4.596 4.340 0.006 0.000 0.255 36 Q C -2.224 173.790 176.000 0.024 0.000 0.923 36 Q CA -2.192 53.635 55.803 0.039 0.000 0.925 36 Q CB 0.832 29.583 28.738 0.022 0.000 1.195 36 Q HN 0.277 nan 8.270 nan 0.000 0.417 37 P HA 0.038 nan 4.420 nan 0.000 0.268 37 P C -1.003 176.304 177.300 0.011 0.000 1.205 37 P CA 0.188 63.296 63.100 0.012 0.000 0.771 37 P CB 0.566 32.270 31.700 0.006 0.000 0.858 38 A N 2.542 125.370 122.820 0.013 0.000 2.802 38 A HA 0.289 4.613 4.320 0.006 0.000 0.344 38 A C -0.064 177.539 177.584 0.032 0.000 1.215 38 A CA -0.451 51.597 52.037 0.018 0.000 0.821 38 A CB -0.435 18.573 19.000 0.013 0.000 1.099 38 A HN 0.355 nan 8.150 nan 0.000 0.479 39 E N 1.906 122.122 120.200 0.026 0.000 2.829 39 E HA -0.064 4.289 4.350 0.006 0.000 0.264 39 E C 0.376 177.001 176.600 0.042 0.000 0.922 39 E CA 1.049 57.467 56.400 0.029 0.000 0.960 39 E CB -0.138 29.573 29.700 0.019 0.000 0.918 39 E HN 0.563 nan 8.360 nan 0.000 0.497 40 N N 1.239 119.969 118.700 0.050 0.000 2.708 40 N HA -0.254 4.490 4.740 0.006 0.000 0.251 40 N C -0.472 175.085 175.510 0.078 0.000 1.017 40 N CA 0.430 53.514 53.050 0.056 0.000 0.742 40 N CB -1.263 37.244 38.487 0.033 0.000 0.943 40 N HN 0.332 nan 8.380 nan 0.000 0.539 41 L N 0.446 121.737 121.223 0.114 0.000 2.490 41 L HA 0.090 4.434 4.340 0.006 0.000 0.274 41 L C 0.796 177.781 176.870 0.191 0.000 1.201 41 L CA 0.443 55.360 54.840 0.129 0.000 0.869 41 L CB 0.543 42.671 42.059 0.114 0.000 1.123 41 L HN 0.277 nan 8.230 nan 0.000 0.484 42 Q N 5.199 125.083 119.800 0.140 0.000 2.347 42 Q HA 0.570 4.914 4.340 0.006 0.000 0.262 42 Q C -1.434 174.666 176.000 0.167 0.000 0.980 42 Q CA -0.129 55.760 55.803 0.144 0.000 0.867 42 Q CB 0.946 29.726 28.738 0.069 0.000 1.242 42 Q HN 0.732 nan 8.270 nan 0.000 0.453 43 M N 3.748 123.514 119.600 0.276 0.000 2.259 43 M HA 0.501 4.984 4.480 0.006 0.000 0.304 43 M C 0.541 176.982 176.300 0.235 0.000 1.019 43 M CA -0.309 55.137 55.300 0.244 0.000 0.922 43 M CB 1.842 34.597 32.600 0.260 0.000 1.600 43 M HN 0.957 nan 8.290 nan 0.000 0.433 44 G N 4.189 113.064 108.800 0.124 0.000 2.622 44 G HA2 -0.258 3.705 3.960 0.006 0.000 0.307 44 G HA3 -0.258 3.705 3.960 0.006 0.000 0.307 44 G C -2.079 172.762 174.900 -0.099 0.000 1.226 44 G CA 0.001 45.131 45.100 0.049 0.000 0.997 44 G HN 0.555 nan 8.290 nan 0.000 0.551 45 P HA 0.319 nan 4.420 nan 0.000 0.245 45 P C 0.122 177.043 177.300 -0.632 0.000 1.206 45 P CA 0.542 63.283 63.100 -0.598 0.000 0.781 45 P CB 0.102 31.252 31.700 -0.917 0.000 0.994 46 F N -0.366 119.547 119.950 -0.062 0.000 2.458 46 F HA 0.434 4.965 4.527 0.006 0.000 0.330 46 F C 0.666 176.317 175.800 -0.249 0.000 1.082 46 F CA -1.436 56.423 58.000 -0.234 0.000 0.995 46 F CB 0.827 39.555 39.000 -0.454 0.000 1.170 46 F HN -0.377 nan 8.300 nan 0.000 0.478 47 I N 2.499 122.999 120.570 -0.116 0.000 2.354 47 I HA 0.269 4.443 4.170 0.006 0.000 0.292 47 I C -1.240 174.739 176.117 -0.230 0.000 0.989 47 I CA -0.713 60.534 61.300 -0.088 0.000 1.188 47 I CB 1.089 39.073 38.000 -0.027 0.000 1.342 47 I HN 0.452 nan 8.210 nan 0.000 0.457 48 Y N 5.765 126.090 120.300 0.042 0.000 2.342 48 Y HA 0.265 4.819 4.550 0.006 0.000 0.338 48 Y C 0.970 176.874 175.900 0.008 0.000 0.965 48 Y CA -0.611 57.499 58.100 0.017 0.000 1.159 48 Y CB 1.279 39.747 38.460 0.013 0.000 1.157 48 Y HN 0.421 nan 8.280 nan 0.000 0.486 49 K N 0.719 121.183 120.400 0.108 0.000 2.103 49 K HA -0.041 4.283 4.320 0.006 0.000 0.204 49 K C -0.182 176.460 176.600 0.070 0.000 1.052 49 K CA 1.281 57.608 56.287 0.065 0.000 0.945 49 K CB 0.154 32.671 32.500 0.029 0.000 0.722 49 K HN 0.563 nan 8.250 nan 0.000 0.443 50 D N -0.109 120.344 120.400 0.089 0.000 3.010 50 D HA 0.261 4.905 4.640 0.006 0.000 0.347 50 D C -0.981 175.351 176.300 0.053 0.000 1.340 50 D CA -0.046 53.989 54.000 0.058 0.000 0.858 50 D CB 0.626 41.452 40.800 0.043 0.000 1.111 50 D HN 0.088 nan 8.370 nan 0.000 0.482 51 A N 0.397 123.249 122.820 0.053 0.000 2.322 51 A HA 0.763 5.087 4.320 0.006 0.000 0.327 51 A C 0.424 178.004 177.584 -0.007 0.000 1.134 51 A CA -0.547 51.486 52.037 -0.006 0.000 0.831 51 A CB 1.268 20.230 19.000 -0.064 0.000 1.288 51 A HN 0.174 nan 8.150 nan 0.000 0.472 52 S N -0.228 115.455 115.700 -0.028 0.000 2.718 52 S HA 0.606 5.079 4.470 0.006 0.000 0.300 52 S C 0.138 174.718 174.600 -0.033 0.000 1.117 52 S CA -0.311 57.880 58.200 -0.016 0.000 1.002 52 S CB 0.780 63.976 63.200 -0.007 0.000 1.092 52 S HN 0.770 nan 8.310 nan 0.000 0.542 53 T N 4.032 118.572 114.554 -0.023 0.000 2.867 53 T HA 0.186 4.539 4.350 0.006 0.000 0.290 53 T C -2.265 172.404 174.700 -0.052 0.000 1.025 53 T CA 0.218 62.299 62.100 -0.032 0.000 1.146 53 T CB -0.380 68.472 68.868 -0.027 0.000 1.024 53 T HN 0.551 nan 8.240 nan 0.000 0.519 54 P HA 0.376 nan 4.420 nan 0.000 0.279 54 P C -0.192 177.057 177.300 -0.085 0.000 1.252 54 P CA -0.745 62.309 63.100 -0.075 0.000 0.811 54 P CB 0.594 32.255 31.700 -0.066 0.000 1.035 55 L N 1.222 122.381 121.223 -0.107 0.000 2.453 55 L HA 0.171 4.515 4.340 0.006 0.000 0.261 55 L C 1.643 178.425 176.870 -0.147 0.000 1.179 55 L CA 0.026 54.778 54.840 -0.148 0.000 0.813 55 L CB 0.156 42.097 42.059 -0.196 0.000 1.110 55 L HN 0.478 nan 8.230 nan 0.000 0.466 56 E N 0.373 120.469 120.200 -0.174 0.000 2.190 56 E HA 0.048 4.402 4.350 0.006 0.000 0.191 56 E C -0.183 176.295 176.600 -0.205 0.000 0.978 56 E CA 0.582 56.891 56.400 -0.151 0.000 0.839 56 E CB 0.357 29.982 29.700 -0.125 0.000 0.787 56 E HN 0.475 nan 8.360 nan 0.000 0.473 57 N N 0.452 118.927 118.700 -0.375 0.000 2.480 57 N HA 0.183 4.926 4.740 0.006 0.000 0.289 57 N C -1.446 173.511 175.510 -0.922 0.000 1.073 57 N CA -0.091 52.605 53.050 -0.590 0.000 0.885 57 N CB 2.073 40.112 38.487 -0.746 0.000 1.421 57 N HN -0.026 nan 8.380 nan 0.000 0.503 58 S N -0.439 115.015 115.700 -0.410 0.000 2.596 58 S HA 0.490 4.963 4.470 0.006 0.000 0.270 58 S C -0.937 173.772 174.600 0.181 0.000 1.155 58 S CA -0.705 57.406 58.200 -0.150 0.000 0.827 58 S CB 1.655 64.762 63.200 -0.154 0.000 1.130 58 S HN 0.056 nan 8.310 nan 0.000 0.467 59 V N 2.061 122.053 119.914 0.130 0.000 2.348 59 V HA 0.672 4.795 4.120 0.006 0.000 0.270 59 V C 0.959 176.974 176.094 -0.131 0.000 1.037 59 V CA -0.114 62.152 62.300 -0.057 0.000 0.872 59 V CB 0.210 31.826 31.823 -0.345 0.000 1.002 59 V HN 1.176 nan 8.190 nan 0.000 0.464 60 A N 5.675 128.477 122.820 -0.031 0.000 2.310 60 A HA 0.618 4.941 4.320 0.006 0.000 0.260 60 A C 0.048 177.647 177.584 0.026 0.000 1.112 60 A CA -0.388 51.651 52.037 0.004 0.000 0.804 60 A CB 0.189 19.212 19.000 0.039 0.000 1.081 60 A HN 0.766 nan 8.150 nan 0.000 0.499 61 L N 0.651 121.916 121.223 0.069 0.000 2.439 61 L HA 0.160 4.503 4.340 0.006 0.000 0.269 61 L C -1.237 175.688 176.870 0.091 0.000 1.179 61 L CA -1.127 53.773 54.840 0.101 0.000 0.828 61 L CB 0.337 42.466 42.059 0.118 0.000 1.106 61 L HN 0.553 nan 8.230 nan 0.000 0.467 62 P HA -0.205 nan 4.420 nan 0.000 0.217 62 P C 1.273 178.596 177.300 0.037 0.000 1.162 62 P CA 1.337 64.471 63.100 0.056 0.000 0.901 62 P CB 0.181 31.923 31.700 0.070 0.000 0.793 63 S N -1.551 114.217 115.700 0.112 0.000 2.603 63 S HA 0.072 4.545 4.470 0.006 0.000 0.229 63 S C 1.753 176.467 174.600 0.190 0.000 0.972 63 S CA 0.622 58.927 58.200 0.175 0.000 0.935 63 S CB -0.746 62.647 63.200 0.322 0.000 0.769 63 S HN 0.141 nan 8.310 nan 0.000 0.536 64 A N 2.467 125.385 122.820 0.164 0.000 2.121 64 A HA -0.136 4.188 4.320 0.006 0.000 0.218 64 A C 2.015 179.649 177.584 0.084 0.000 1.154 64 A CA 1.294 53.473 52.037 0.237 0.000 0.679 64 A CB -0.422 18.683 19.000 0.175 0.000 0.795 64 A HN 0.693 nan 8.150 nan 0.000 0.458 65 K N -0.987 119.344 120.400 -0.114 0.000 2.113 65 K HA -0.234 4.090 4.320 0.006 0.000 0.208 65 K C 1.354 177.783 176.600 -0.284 0.000 1.047 65 K CA 1.922 58.069 56.287 -0.234 0.000 0.928 65 K CB -0.759 31.526 32.500 -0.357 0.000 0.716 65 K HN 0.486 nan 8.250 nan 0.000 0.446 66 Y N -0.040 120.105 120.300 -0.258 0.000 2.639 66 Y HA 0.015 4.568 4.550 0.006 0.000 0.297 66 Y C 0.756 176.283 175.900 -0.621 0.000 1.151 66 Y CA 0.345 58.139 58.100 -0.509 0.000 1.335 66 Y CB -0.152 37.852 38.460 -0.760 0.000 0.994 66 Y HN 0.021 nan 8.280 nan 0.000 0.548 67 F N -1.412 118.668 119.950 0.216 0.000 2.735 67 F HA 0.536 5.066 4.527 0.006 0.000 0.308 67 F C 1.323 177.206 175.800 0.138 0.000 1.112 67 F CA -0.282 57.847 58.000 0.216 0.000 1.235 67 F CB 0.840 40.050 39.000 0.350 0.000 1.027 67 F HN -0.049 nan 8.300 nan 0.000 0.528 68 G N -0.016 108.893 108.800 0.181 0.000 2.144 68 G HA2 -0.239 3.725 3.960 0.006 0.000 0.218 68 G HA3 -0.239 3.725 3.960 0.006 0.000 0.218 68 G C 0.175 175.137 174.900 0.103 0.000 0.988 68 G CA -0.127 45.045 45.100 0.120 0.000 0.659 68 G HN 0.337 nan 8.290 nan 0.000 0.522 69 D N -0.450 120.014 120.400 0.108 0.000 2.911 69 D HA -0.213 4.430 4.640 0.006 0.000 0.227 69 D C 1.174 177.531 176.300 0.095 0.000 1.164 69 D CA 1.412 55.463 54.000 0.085 0.000 0.782 69 D CB -1.386 39.441 40.800 0.044 0.000 1.094 69 D HN 1.244 nan 8.370 nan 0.000 0.425 70 I N -1.587 119.068 120.570 0.142 0.000 2.710 70 I HA 0.143 4.317 4.170 0.006 0.000 0.286 70 I C 0.514 176.680 176.117 0.082 0.000 1.181 70 I CA 0.422 61.794 61.300 0.120 0.000 1.430 70 I CB 0.605 38.716 38.000 0.186 0.000 1.367 70 I HN -0.271 nan 8.210 nan 0.000 0.577 71 D N 7.369 127.780 120.400 0.018 0.000 2.795 71 D HA 0.415 5.059 4.640 0.006 0.000 0.335 71 D C -2.453 173.798 176.300 -0.081 0.000 1.262 71 D CA -2.070 51.920 54.000 -0.017 0.000 0.885 71 D CB 0.349 41.136 40.800 -0.022 0.000 1.047 71 D HN 0.353 nan 8.370 nan 0.000 0.500 72 P HA -0.034 nan 4.420 nan 0.000 0.261 72 P C -0.459 176.724 177.300 -0.195 0.000 1.165 72 P CA 0.318 63.229 63.100 -0.315 0.000 0.759 72 P CB 0.442 31.800 31.700 -0.571 0.000 0.772 73 Q N 4.656 124.354 119.800 -0.170 0.000 2.271 73 Q HA 0.385 4.728 4.340 0.006 0.000 0.258 73 Q C -2.147 173.804 176.000 -0.082 0.000 0.936 73 Q CA -1.967 53.779 55.803 -0.096 0.000 0.909 73 Q CB 1.260 29.955 28.738 -0.073 0.000 1.253 73 Q HN 0.345 nan 8.270 nan 0.000 0.440 74 P HA 0.164 nan 4.420 nan 0.000 0.289 74 P C 0.681 177.984 177.300 0.005 0.000 1.299 74 P CA -0.402 62.689 63.100 -0.016 0.000 0.766 74 P CB 1.124 32.828 31.700 0.007 0.000 1.226 75 L N -1.116 120.119 121.223 0.020 0.000 2.023 75 L HA 0.057 4.400 4.340 0.006 0.000 0.205 75 L C -1.092 175.818 176.870 0.066 0.000 1.073 75 L CA 0.884 55.745 54.840 0.034 0.000 0.745 75 L CB -2.000 40.074 42.059 0.024 0.000 0.900 75 L HN 0.312 nan 8.230 nan 0.000 0.435 76 P HA 0.030 nan 4.420 nan 0.000 0.272 76 P C -0.574 176.810 177.300 0.139 0.000 1.223 76 P CA 0.018 63.189 63.100 0.117 0.000 0.784 76 P CB 0.692 32.448 31.700 0.093 0.000 0.923 77 V N 3.704 123.744 119.914 0.210 0.000 2.508 77 V HA 0.060 4.184 4.120 0.006 0.000 0.281 77 V C 0.592 176.774 176.094 0.147 0.000 1.041 77 V CA 0.004 62.399 62.300 0.157 0.000 1.016 77 V CB -0.109 31.811 31.823 0.161 0.000 0.984 77 V HN 0.337 nan 8.190 nan 0.000 0.478 78 I N 4.550 125.186 120.570 0.110 0.000 2.325 78 I HA 0.264 4.438 4.170 0.006 0.000 0.291 78 I C 0.609 176.812 176.117 0.144 0.000 1.019 78 I CA 0.175 61.542 61.300 0.112 0.000 1.302 78 I CB 1.100 39.147 38.000 0.078 0.000 1.401 78 I HN 0.537 nan 8.210 nan 0.000 0.485 79 T N 4.895 119.541 114.554 0.154 0.000 2.799 79 T HA 0.356 4.710 4.350 0.006 0.000 0.286 79 T C 0.359 175.063 174.700 0.007 0.000 0.973 79 T CA -0.234 61.922 62.100 0.094 0.000 1.035 79 T CB 1.476 70.392 68.868 0.081 0.000 0.932 79 T HN 0.684 nan 8.240 nan 0.000 0.469 80 T N 2.028 116.566 114.554 -0.027 0.000 2.908 80 T HA 0.513 4.867 4.350 0.006 0.000 0.290 80 T C -1.289 173.377 174.700 -0.056 0.000 1.034 80 T CA -0.810 61.279 62.100 -0.019 0.000 1.010 80 T CB 1.633 70.516 68.868 0.025 0.000 1.068 80 T HN 0.674 nan 8.240 nan 0.000 0.481 81 E N 3.387 123.568 120.200 -0.031 0.000 2.165 81 E HA 0.606 4.959 4.350 0.006 0.000 0.266 81 E C -1.167 175.445 176.600 0.019 0.000 0.889 81 E CA -0.627 55.756 56.400 -0.028 0.000 0.756 81 E CB 0.857 30.540 29.700 -0.028 0.000 1.131 81 E HN 0.586 nan 8.360 nan 0.000 0.411 82 I N 3.563 124.159 120.570 0.043 0.000 2.447 82 I HA 0.655 4.828 4.170 0.006 0.000 0.287 82 I C -0.951 175.225 176.117 0.098 0.000 1.023 82 I CA -0.766 60.575 61.300 0.070 0.000 1.083 82 I CB 1.952 40.003 38.000 0.085 0.000 1.245 82 I HN 0.602 nan 8.210 nan 0.000 0.434 83 A N 3.511 126.389 122.820 0.096 0.000 2.538 83 A HA 0.436 4.760 4.320 0.006 0.000 0.293 83 A C 0.126 177.789 177.584 0.133 0.000 1.065 83 A CA -0.336 51.779 52.037 0.130 0.000 0.936 83 A CB 0.802 19.875 19.000 0.122 0.000 1.481 83 A HN 0.724 nan 8.150 nan 0.000 0.394 84 S N 0.730 116.546 115.700 0.193 0.000 2.502 84 S HA 0.488 4.961 4.470 0.006 0.000 0.215 84 S C 1.425 176.263 174.600 0.396 0.000 1.009 84 S CA 0.992 59.331 58.200 0.233 0.000 0.908 84 S CB 0.529 63.891 63.200 0.268 0.000 0.801 84 S HN 2.548 nan 8.310 nan 0.000 0.505 85 G N 1.743 110.752 108.800 0.349 0.000 2.436 85 G HA2 -0.168 3.796 3.960 0.006 0.000 0.204 85 G HA3 -0.168 3.796 3.960 0.006 0.000 0.204 85 G C 0.125 175.165 174.900 0.233 0.000 1.026 85 G CA -0.527 44.765 45.100 0.320 0.000 0.658 85 G HN 0.485 nan 8.290 nan 0.000 0.499 86 R N 1.344 121.986 120.500 0.237 0.000 2.346 86 R HA 0.459 4.802 4.340 0.006 0.000 0.309 86 R C 1.492 177.840 176.300 0.081 0.000 1.119 86 R CA -0.184 55.929 56.100 0.022 0.000 1.112 86 R CB -0.109 29.956 30.300 -0.392 0.000 1.132 86 R HN 0.497 nan 8.270 nan 0.000 0.538 87 F N 2.163 122.151 119.950 0.063 0.000 2.225 87 F HA -0.287 4.244 4.527 0.006 0.000 0.302 87 F C 2.007 177.839 175.800 0.053 0.000 1.068 87 F CA 1.444 59.489 58.000 0.076 0.000 1.327 87 F CB -0.058 38.986 39.000 0.073 0.000 1.043 87 F HN 0.374 nan 8.300 nan 0.000 0.506 88 E N 1.032 120.557 120.200 -1.125 0.000 2.072 88 E HA -0.222 4.132 4.350 0.006 0.000 0.191 88 E C 1.328 177.731 176.600 -0.328 0.000 0.985 88 E CA 1.667 57.529 56.400 -0.896 0.000 0.801 88 E CB -0.904 28.300 29.700 -0.827 0.000 0.750 88 E HN 0.524 nan 8.360 nan 0.000 0.452 89 D N 1.693 121.988 120.400 -0.175 0.000 2.097 89 D HA -0.133 4.510 4.640 0.006 0.000 0.197 89 D C 1.486 177.844 176.300 0.097 0.000 0.984 89 D CA 1.409 55.426 54.000 0.029 0.000 0.826 89 D CB -0.258 40.665 40.800 0.206 0.000 0.973 89 D HN 0.188 nan 8.370 nan 0.000 0.460 90 D N 0.963 121.423 120.400 0.100 0.000 2.190 90 D HA -0.135 4.509 4.640 0.006 0.000 0.200 90 D C 2.171 178.529 176.300 0.096 0.000 0.992 90 D CA 0.251 54.327 54.000 0.127 0.000 0.854 90 D CB -0.263 40.629 40.800 0.153 0.000 0.936 90 D HN 0.291 nan 8.370 nan 0.000 0.462 91 I N 0.804 121.394 120.570 0.033 0.000 2.208 91 I HA -0.277 3.896 4.170 0.006 0.000 0.245 91 I C 2.314 178.451 176.117 0.033 0.000 1.097 91 I CA 1.189 62.500 61.300 0.019 0.000 1.363 91 I CB -0.466 37.512 38.000 -0.037 0.000 1.051 91 I HN 0.089 nan 8.210 nan 0.000 0.413 92 R N 0.333 120.851 120.500 0.030 0.000 2.080 92 R HA -0.189 4.154 4.340 0.006 0.000 0.236 92 R C 2.421 178.759 176.300 0.063 0.000 1.137 92 R CA 1.303 57.417 56.100 0.023 0.000 0.943 92 R CB -0.550 29.743 30.300 -0.012 0.000 0.846 92 R HN 0.316 nan 8.270 nan 0.000 0.431 93 R N 0.858 121.451 120.500 0.155 0.000 2.139 93 R HA -0.115 4.229 4.340 0.006 0.000 0.243 93 R C 2.208 178.589 176.300 0.134 0.000 1.145 93 R CA 1.523 57.745 56.100 0.205 0.000 0.976 93 R CB -0.111 30.354 30.300 0.275 0.000 0.866 93 R HN 0.244 nan 8.270 nan 0.000 0.449 94 M N -0.777 118.890 119.600 0.112 0.000 2.374 94 M HA -0.146 4.337 4.480 0.006 0.000 0.264 94 M C 2.317 178.691 176.300 0.122 0.000 1.067 94 M CA 1.311 56.673 55.300 0.103 0.000 1.103 94 M CB -0.107 32.540 32.600 0.079 0.000 1.402 94 M HN 0.123 nan 8.290 nan 0.000 0.444 95 R N 0.542 121.113 120.500 0.119 0.000 2.080 95 R HA 0.012 4.355 4.340 0.006 0.000 0.222 95 R C 2.036 178.476 176.300 0.233 0.000 1.107 95 R CA 0.886 57.090 56.100 0.174 0.000 0.980 95 R CB 0.042 30.403 30.300 0.103 0.000 0.879 95 R HN 0.320 nan 8.270 nan 0.000 0.439 96 M N 0.172 119.849 119.600 0.129 0.000 2.065 96 M HA -0.146 4.338 4.480 0.006 0.000 0.259 96 M C 2.514 178.982 176.300 0.280 0.000 1.069 96 M CA 2.093 57.480 55.300 0.145 0.000 1.110 96 M CB -0.425 32.214 32.600 0.064 0.000 1.328 96 M HN 0.221 nan 8.290 nan 0.000 0.405 97 A N 0.619 123.558 122.820 0.198 0.000 1.858 97 A HA -0.060 4.263 4.320 0.006 0.000 0.216 97 A C 2.457 180.182 177.584 0.235 0.000 1.190 97 A CA 2.076 54.226 52.037 0.188 0.000 0.617 97 A CB -1.219 17.854 19.000 0.122 0.000 0.827 97 A HN 0.519 nan 8.150 nan 0.000 0.443 98 A N -1.782 121.163 122.820 0.207 0.000 1.997 98 A HA -0.244 4.080 4.320 0.006 0.000 0.221 98 A C 1.894 179.571 177.584 0.155 0.000 1.172 98 A CA 1.776 53.904 52.037 0.153 0.000 0.645 98 A CB -0.890 18.187 19.000 0.128 0.000 0.813 98 A HN 0.768 nan 8.150 nan 0.000 0.454 99 W N -1.095 120.250 121.300 0.075 0.000 2.518 99 W HA 0.039 4.703 4.660 0.006 0.000 0.273 99 W C 2.000 178.498 176.519 -0.036 0.000 1.247 99 W CA 1.187 58.542 57.345 0.017 0.000 1.288 99 W CB -0.270 29.195 29.460 0.007 0.000 1.107 99 W HN 0.486 nan 8.180 nan 0.000 0.586 100 H N -0.990 118.208 119.070 0.213 0.000 2.543 100 H HA 0.214 4.773 4.556 0.006 0.000 0.269 100 H C 1.696 177.068 175.328 0.074 0.000 1.005 100 H CA 1.000 57.126 56.048 0.130 0.000 1.146 100 H CB 0.031 29.862 29.762 0.115 0.000 1.353 100 H HN 0.304 nan 8.280 nan 0.000 0.595 101 G N 0.346 109.218 108.800 0.120 0.000 2.231 101 G HA2 -0.223 3.740 3.960 0.006 0.000 0.206 101 G HA3 -0.223 3.740 3.960 0.006 0.000 0.206 101 G C 0.522 175.454 174.900 0.053 0.000 0.996 101 G CA -0.140 44.993 45.100 0.056 0.000 0.645 101 G HN 0.560 nan 8.290 nan 0.000 0.498 102 A N 1.392 124.262 122.820 0.084 0.000 2.524 102 A HA 0.483 4.806 4.320 0.006 0.000 0.250 102 A C 0.936 178.542 177.584 0.037 0.000 1.078 102 A CA 1.219 53.298 52.037 0.070 0.000 0.761 102 A CB 0.136 19.187 19.000 0.085 0.000 1.012 102 A HN 0.887 nan 8.150 nan 0.000 0.500 103 D N 1.215 121.632 120.400 0.028 0.000 2.599 103 D HA 0.089 4.732 4.640 0.006 0.000 0.249 103 D C -0.147 176.149 176.300 -0.008 0.000 1.313 103 D CA 0.084 54.069 54.000 -0.026 0.000 0.815 103 D CB -0.493 40.257 40.800 -0.083 0.000 1.077 103 D HN 0.702 nan 8.370 nan 0.000 0.492 104 H N 0.467 119.496 119.070 -0.069 0.000 3.277 104 H HA 0.297 4.856 4.556 0.006 0.000 0.329 104 H C -1.159 174.170 175.328 0.001 0.000 1.034 104 H CA -0.552 55.461 56.048 -0.058 0.000 1.530 104 H CB 1.023 30.780 29.762 -0.008 0.000 1.837 104 H HN -0.091 nan 8.280 nan 0.000 0.493 105 I N 5.226 125.802 120.570 0.009 0.000 2.460 105 I HA 0.341 4.514 4.170 0.006 0.000 0.298 105 I C -0.258 175.798 176.117 -0.103 0.000 0.989 105 I CA -0.727 60.563 61.300 -0.016 0.000 1.173 105 I CB 1.957 40.032 38.000 0.126 0.000 1.338 105 I HN 0.600 nan 8.210 nan 0.000 0.456 106 M N 6.253 125.766 119.600 -0.146 0.000 2.224 106 M HA 0.435 4.919 4.480 0.006 0.000 0.281 106 M C -1.916 174.344 176.300 -0.067 0.000 1.025 106 M CA -0.533 54.629 55.300 -0.230 0.000 0.954 106 M CB 2.026 34.348 32.600 -0.463 0.000 1.639 106 M HN 0.292 nan 8.290 nan 0.000 0.461 107 V N 6.614 126.508 119.914 -0.034 0.000 2.284 107 V HA 0.360 4.484 4.120 0.006 0.000 0.274 107 V C 0.203 176.406 176.094 0.182 0.000 1.023 107 V CA -0.664 61.684 62.300 0.079 0.000 0.808 107 V CB 0.595 32.479 31.823 0.101 0.000 1.035 107 V HN 0.810 nan 8.190 nan 0.000 0.445 108 I N 4.419 125.113 120.570 0.208 0.000 2.906 108 I HA -0.012 4.162 4.170 0.006 0.000 0.302 108 I C 1.186 177.373 176.117 0.117 0.000 1.220 108 I CA 0.527 61.939 61.300 0.186 0.000 1.441 108 I CB 0.101 38.132 38.000 0.051 0.000 1.336 108 I HN 0.536 nan 8.210 nan 0.000 0.565 109 R N 3.373 123.907 120.500 0.056 0.000 2.637 109 R HA 0.233 4.576 4.340 0.006 0.000 0.269 109 R C 0.302 176.585 176.300 -0.028 0.000 1.089 109 R CA -0.581 55.534 56.100 0.026 0.000 1.177 109 R CB 0.502 30.804 30.300 0.003 0.000 1.091 109 R HN 0.606 nan 8.270 nan 0.000 0.540 110 T N 0.307 114.853 114.554 -0.014 0.000 2.926 110 T HA 0.199 4.552 4.350 0.006 0.000 0.307 110 T C 0.231 174.885 174.700 -0.077 0.000 1.059 110 T CA -0.520 61.576 62.100 -0.007 0.000 1.122 110 T CB 0.482 69.383 68.868 0.055 0.000 0.972 110 T HN 0.600 nan 8.240 nan 0.000 0.545 111 A N 2.702 125.503 122.820 -0.032 0.000 2.553 111 A HA 0.473 4.796 4.320 0.006 0.000 0.258 111 A C 1.614 179.154 177.584 -0.074 0.000 1.069 111 A CA 0.463 52.474 52.037 -0.044 0.000 0.767 111 A CB -1.370 17.635 19.000 0.007 0.000 0.997 111 A HN 2.025 nan 8.150 nan 0.000 0.512 112 G N 1.600 110.307 108.800 -0.155 0.000 2.201 112 G HA2 -0.292 3.672 3.960 0.006 0.000 0.212 112 G HA3 -0.292 3.672 3.960 0.006 0.000 0.212 112 G C 0.947 175.486 174.900 -0.601 0.000 0.994 112 G CA 0.760 45.760 45.100 -0.168 0.000 0.644 112 G HN 0.937 nan 8.290 nan 0.000 0.508 113 Q N 0.882 120.202 119.800 -0.799 0.000 2.234 113 Q HA -0.004 4.340 4.340 0.006 0.000 0.206 113 Q C 2.574 178.214 176.000 -0.600 0.000 0.980 113 Q CA 2.219 57.340 55.803 -1.137 0.000 0.869 113 Q CB -0.339 28.070 28.738 -0.549 0.000 0.912 113 Q HN 0.503 nan 8.270 nan 0.000 0.436 114 S N -0.196 115.229 115.700 -0.457 0.000 2.372 114 S HA -0.196 4.278 4.470 0.006 0.000 0.227 114 S C 1.381 175.807 174.600 -0.289 0.000 1.044 114 S CA 1.448 59.418 58.200 -0.383 0.000 1.050 114 S CB -0.396 62.472 63.200 -0.555 0.000 0.901 114 S HN 0.608 nan 8.310 nan 0.000 0.447 115 H N -0.828 118.208 119.070 -0.055 0.000 2.556 115 H HA 0.100 4.660 4.556 0.006 0.000 0.268 115 H C -0.330 175.126 175.328 0.213 0.000 0.996 115 H CA 0.176 56.261 56.048 0.062 0.000 1.157 115 H CB -0.325 29.477 29.762 0.067 0.000 1.355 115 H HN 0.343 nan 8.280 nan 0.000 0.597 116 Y N 1.760 122.108 120.300 0.081 0.000 2.587 116 Y HA -0.013 4.540 4.550 0.006 0.000 0.344 116 Y C 0.972 176.895 175.900 0.038 0.000 1.061 116 Y CA -0.897 57.234 58.100 0.052 0.000 1.370 116 Y CB -0.023 38.454 38.460 0.028 0.000 1.163 116 Y HN 0.005 nan 8.280 nan 0.000 0.527 117 D N 2.761 123.272 120.400 0.183 0.000 2.767 117 D HA 0.372 5.016 4.640 0.006 0.000 0.231 117 D C 0.589 176.934 176.300 0.075 0.000 1.105 117 D CA 0.764 54.830 54.000 0.110 0.000 1.024 117 D CB -0.418 40.432 40.800 0.085 0.000 1.123 117 D HN 0.857 nan 8.370 nan 0.000 0.470 118 G N 0.274 109.123 108.800 0.081 0.000 2.353 118 G HA2 -0.064 3.899 3.960 0.006 0.000 0.424 118 G HA3 -0.064 3.899 3.960 0.006 0.000 0.424 118 G C -0.696 174.239 174.900 0.058 0.000 1.320 118 G CA -1.011 44.118 45.100 0.047 0.000 0.995 118 G HN 0.240 nan 8.290 nan 0.000 0.580 119 L N 0.636 121.876 121.223 0.029 0.000 2.499 119 L HA 0.400 4.744 4.340 0.006 0.000 0.281 119 L C 1.382 178.275 176.870 0.039 0.000 1.234 119 L CA -0.138 54.724 54.840 0.035 0.000 0.839 119 L CB 0.143 42.210 42.059 0.014 0.000 1.104 119 L HN 0.647 nan 8.230 nan 0.000 0.500 120 I N -1.541 119.069 120.570 0.068 0.000 2.947 120 I HA 0.576 4.750 4.170 0.006 0.000 0.314 120 I C -0.428 175.690 176.117 0.001 0.000 1.028 120 I CA -0.858 60.453 61.300 0.018 0.000 1.077 120 I CB 1.725 39.745 38.000 0.033 0.000 1.274 120 I HN 0.492 nan 8.210 nan 0.000 0.485 121 E N 1.536 121.716 120.200 -0.033 0.000 2.312 121 E HA 0.603 4.957 4.350 0.006 0.000 0.267 121 E C -0.012 176.549 176.600 -0.065 0.000 0.894 121 E CA -0.229 56.135 56.400 -0.061 0.000 0.773 121 E CB 2.069 31.713 29.700 -0.094 0.000 1.241 121 E HN 1.088 nan 8.360 nan 0.000 0.432 122 G N 1.202 109.950 108.800 -0.088 0.000 2.527 122 G HA2 -0.246 3.717 3.960 0.006 0.000 0.227 122 G HA3 -0.246 3.717 3.960 0.006 0.000 0.227 122 G C -0.150 174.708 174.900 -0.071 0.000 1.291 122 G CA -0.013 45.041 45.100 -0.076 0.000 0.904 122 G HN 0.837 nan 8.290 nan 0.000 0.577 123 T N -1.119 113.415 114.554 -0.033 0.000 3.658 123 T HA 0.646 4.999 4.350 0.006 0.000 0.245 123 T C -2.534 172.196 174.700 0.050 0.000 1.292 123 T CA -0.296 61.796 62.100 -0.013 0.000 1.598 123 T CB 1.858 70.755 68.868 0.048 0.000 0.861 123 T HN 0.602 nan 8.240 nan 0.000 0.663 124 P HA 0.249 nan 4.420 nan 0.000 0.274 124 P C -0.198 177.143 177.300 0.068 0.000 1.237 124 P CA -0.378 62.750 63.100 0.046 0.000 0.793 124 P CB 0.584 32.310 31.700 0.043 0.000 0.977 125 Q N 1.222 121.051 119.800 0.047 0.000 2.289 125 Q HA 0.345 4.688 4.340 0.006 0.000 0.273 125 Q C 0.281 176.333 176.000 0.086 0.000 1.029 125 Q CA -0.110 55.717 55.803 0.041 0.000 0.896 125 Q CB -0.152 28.578 28.738 -0.013 0.000 1.182 125 Q HN 0.607 nan 8.270 nan 0.000 0.385 126 G N 2.116 110.987 108.800 0.118 0.000 2.606 126 G HA2 0.497 4.460 3.960 0.006 0.000 0.252 126 G HA3 0.497 4.460 3.960 0.006 0.000 0.252 126 G C -0.765 174.222 174.900 0.144 0.000 1.206 126 G CA -0.054 45.127 45.100 0.137 0.000 0.861 126 G HN 1.125 nan 8.290 nan 0.000 0.561 127 I N -0.280 120.363 120.570 0.122 0.000 2.493 127 I HA 0.704 4.878 4.170 0.006 0.000 0.279 127 I C 1.284 177.451 176.117 0.083 0.000 1.045 127 I CA 0.102 61.470 61.300 0.113 0.000 1.106 127 I CB 0.398 38.457 38.000 0.098 0.000 1.216 127 I HN 2.065 nan 8.210 nan 0.000 0.459 128 G N 3.188 112.041 108.800 0.088 0.000 2.267 128 G HA2 0.210 4.173 3.960 0.006 0.000 0.257 128 G HA3 0.210 4.173 3.960 0.006 0.000 0.257 128 G C 1.022 175.951 174.900 0.048 0.000 0.998 128 G CA 0.494 45.625 45.100 0.052 0.000 0.620 128 G HN 2.616 nan 8.290 nan 0.000 0.529 129 G N -1.896 106.946 108.800 0.070 0.000 2.782 129 G HA2 0.675 4.638 3.960 0.006 0.000 0.304 129 G HA3 0.675 4.638 3.960 0.006 0.000 0.304 129 G C -1.341 173.631 174.900 0.120 0.000 1.315 129 G CA 0.182 45.328 45.100 0.076 0.000 0.791 129 G HN 0.974 nan 8.290 nan 0.000 0.519 130 V N 1.580 121.571 119.914 0.129 0.000 2.435 130 V HA 0.428 4.551 4.120 0.006 0.000 0.290 130 V C -2.173 173.996 176.094 0.125 0.000 1.030 130 V CA -1.484 60.909 62.300 0.155 0.000 0.881 130 V CB 2.098 34.037 31.823 0.193 0.000 0.983 130 V HN 0.475 nan 8.190 nan 0.000 0.445 131 P HA 0.167 nan 4.420 nan 0.000 0.269 131 P C -0.453 176.906 177.300 0.098 0.000 1.263 131 P CA 0.025 63.196 63.100 0.120 0.000 0.813 131 P CB -0.039 31.734 31.700 0.121 0.000 0.868 132 I N 4.371 125.017 120.570 0.127 0.000 2.363 132 I HA 0.158 4.331 4.170 0.006 0.000 0.292 132 I C 1.169 177.376 176.117 0.150 0.000 1.075 132 I CA 0.495 61.888 61.300 0.155 0.000 1.333 132 I CB 0.053 38.198 38.000 0.242 0.000 1.415 132 I HN 0.319 nan 8.210 nan 0.000 0.502 133 T N 3.090 117.707 114.554 0.104 0.000 2.864 133 T HA 0.403 4.757 4.350 0.006 0.000 0.289 133 T C 1.024 175.791 174.700 0.110 0.000 1.082 133 T CA -0.799 61.349 62.100 0.080 0.000 1.009 133 T CB 2.317 71.187 68.868 0.002 0.000 1.234 133 T HN 0.575 nan 8.240 nan 0.000 0.526 134 R N 0.361 120.922 120.500 0.101 0.000 2.091 134 R HA -0.072 4.272 4.340 0.006 0.000 0.238 134 R C 2.324 178.733 176.300 0.181 0.000 1.136 134 R CA 1.877 58.074 56.100 0.162 0.000 0.959 134 R CB -0.292 30.096 30.300 0.147 0.000 0.856 134 R HN 0.756 nan 8.270 nan 0.000 0.437 135 K N 0.023 120.471 120.400 0.081 0.000 2.001 135 K HA -0.191 4.133 4.320 0.006 0.000 0.208 135 K C 2.242 178.813 176.600 -0.048 0.000 1.048 135 K CA 1.531 57.875 56.287 0.095 0.000 0.932 135 K CB -0.108 32.389 32.500 -0.005 0.000 0.715 135 K HN 0.111 nan 8.250 nan 0.000 0.437 136 Q N 0.938 120.605 119.800 -0.221 0.000 2.124 136 Q HA -0.117 4.227 4.340 0.006 0.000 0.202 136 Q C 1.920 177.851 176.000 -0.115 0.000 0.977 136 Q CA 1.509 57.034 55.803 -0.463 0.000 0.850 136 Q CB -0.120 28.272 28.738 -0.577 0.000 0.901 136 Q HN 0.252 nan 8.270 nan 0.000 0.429 137 V N 1.392 121.339 119.914 0.055 0.000 2.358 137 V HA -0.233 3.891 4.120 0.006 0.000 0.246 137 V C 2.531 178.679 176.094 0.089 0.000 1.047 137 V CA 2.159 64.571 62.300 0.186 0.000 1.035 137 V CB -0.472 31.514 31.823 0.271 0.000 0.658 137 V HN 0.356 nan 8.190 nan 0.000 0.452 138 R N 0.077 120.629 120.500 0.087 0.000 2.115 138 R HA 0.018 4.362 4.340 0.006 0.000 0.226 138 R C 2.404 178.570 176.300 -0.223 0.000 1.100 138 R CA 1.166 57.273 56.100 0.012 0.000 0.980 138 R CB -0.562 29.846 30.300 0.179 0.000 0.875 138 R HN 0.516 nan 8.270 nan 0.000 0.445 139 A N 1.638 124.405 122.820 -0.089 0.000 1.841 139 A HA -0.259 4.064 4.320 0.006 0.000 0.216 139 A C 2.089 179.608 177.584 -0.108 0.000 1.199 139 A CA 1.471 53.484 52.037 -0.039 0.000 0.621 139 A CB -0.615 18.520 19.000 0.225 0.000 0.835 139 A HN 0.310 nan 8.150 nan 0.000 0.445 140 Q N -1.572 118.181 119.800 -0.078 0.000 2.170 140 Q HA -0.185 4.159 4.340 0.006 0.000 0.203 140 Q C 2.323 178.040 176.000 -0.472 0.000 0.976 140 Q CA 1.560 57.238 55.803 -0.208 0.000 0.858 140 Q CB -0.119 28.522 28.738 -0.162 0.000 0.907 140 Q HN 0.562 nan 8.270 nan 0.000 0.433 141 R N 1.494 121.685 120.500 -0.515 0.000 2.073 141 R HA -0.081 4.262 4.340 0.006 0.000 0.229 141 R C 1.985 178.105 176.300 -0.299 0.000 1.120 141 R CA 1.518 57.356 56.100 -0.437 0.000 0.967 141 R CB -0.166 30.035 30.300 -0.166 0.000 0.862 141 R HN 0.018 nan 8.270 nan 0.000 0.436 142 K N -0.108 119.981 120.400 -0.518 0.000 2.026 142 K HA -0.087 4.237 4.320 0.006 0.000 0.208 142 K C 1.831 178.276 176.600 -0.258 0.000 1.048 142 K CA 1.518 57.435 56.287 -0.616 0.000 0.929 142 K CB -0.289 31.526 32.500 -1.143 0.000 0.713 142 K HN 0.220 nan 8.250 nan 0.000 0.439 143 A N 1.697 124.384 122.820 -0.221 0.000 1.908 143 A HA -0.150 4.173 4.320 0.006 0.000 0.218 143 A C 2.183 179.712 177.584 -0.092 0.000 1.181 143 A CA 1.447 53.412 52.037 -0.120 0.000 0.627 143 A CB -0.611 18.335 19.000 -0.090 0.000 0.818 143 A HN 0.368 nan 8.150 nan 0.000 0.445 144 L N -0.665 120.479 121.223 -0.133 0.000 2.217 144 L HA -0.143 4.200 4.340 0.006 0.000 0.211 144 L C 1.904 178.741 176.870 -0.055 0.000 1.107 144 L CA 0.949 55.732 54.840 -0.095 0.000 0.783 144 L CB -0.561 41.410 42.059 -0.147 0.000 0.919 144 L HN 0.332 nan 8.230 nan 0.000 0.442 145 D N 0.302 120.676 120.400 -0.043 0.000 2.117 145 D HA -0.171 4.473 4.640 0.006 0.000 0.197 145 D C 2.356 178.653 176.300 -0.005 0.000 0.987 145 D CA 1.216 55.216 54.000 -0.001 0.000 0.829 145 D CB -0.053 40.783 40.800 0.059 0.000 0.961 145 D HN 0.273 nan 8.370 nan 0.000 0.460 146 L N 0.606 121.824 121.223 -0.008 0.000 1.961 146 L HA -0.142 4.201 4.340 0.006 0.000 0.210 146 L C 2.668 179.545 176.870 0.012 0.000 1.072 146 L CA 0.876 55.719 54.840 0.004 0.000 0.749 146 L CB -0.434 41.626 42.059 0.002 0.000 0.889 146 L HN 0.007 nan 8.230 nan 0.000 0.432 147 I N 0.345 120.924 120.570 0.016 0.000 2.151 147 I HA -0.327 3.846 4.170 0.006 0.000 0.243 147 I C 2.551 178.666 176.117 -0.004 0.000 1.080 147 I CA 1.913 63.239 61.300 0.043 0.000 1.339 147 I CB -0.650 37.386 38.000 0.059 0.000 1.039 147 I HN 0.452 nan 8.210 nan 0.000 0.409 148 E N 1.275 121.458 120.200 -0.028 0.000 2.401 148 E HA -0.271 4.082 4.350 0.006 0.000 0.199 148 E C 1.905 178.464 176.600 -0.068 0.000 1.023 148 E CA 1.304 57.669 56.400 -0.058 0.000 0.859 148 E CB -0.277 29.387 29.700 -0.060 0.000 0.780 148 E HN 0.634 nan 8.360 nan 0.000 0.523 149 E N 0.792 120.965 120.200 -0.046 0.000 2.276 149 E HA -0.122 4.231 4.350 0.006 0.000 0.193 149 E C 1.963 178.531 176.600 -0.054 0.000 0.983 149 E CA 0.336 56.709 56.400 -0.044 0.000 0.861 149 E CB 0.167 29.855 29.700 -0.020 0.000 0.817 149 E HN 0.403 nan 8.360 nan 0.000 0.485 150 E N 0.414 120.590 120.200 -0.040 0.000 2.028 150 E HA -0.170 4.183 4.350 0.006 0.000 0.191 150 E C 2.197 178.669 176.600 -0.213 0.000 0.988 150 E CA 1.883 58.255 56.400 -0.047 0.000 0.799 150 E CB 0.065 29.814 29.700 0.082 0.000 0.755 150 E HN 0.229 nan 8.360 nan 0.000 0.447 151 V N -2.364 117.367 119.914 -0.305 0.000 2.548 151 V HA 0.187 4.311 4.120 0.006 0.000 0.249 151 V C 1.529 177.445 176.094 -0.297 0.000 1.055 151 V CA 1.355 63.367 62.300 -0.479 0.000 1.065 151 V CB -0.307 31.218 31.823 -0.496 0.000 0.681 151 V HN 0.479 nan 8.190 nan 0.000 0.462 152 G N 0.505 109.192 108.800 -0.190 0.000 2.131 152 G HA2 -0.185 3.779 3.960 0.006 0.000 0.201 152 G HA3 -0.185 3.779 3.960 0.006 0.000 0.201 152 G C 0.131 174.961 174.900 -0.115 0.000 1.000 152 G CA 0.190 45.208 45.100 -0.138 0.000 0.680 152 G HN 1.073 nan 8.290 nan 0.000 0.514 153 R N -0.346 120.083 120.500 -0.118 0.000 2.604 153 R HA 0.548 4.892 4.340 0.006 0.000 0.270 153 R C -3.171 173.063 176.300 -0.109 0.000 1.052 153 R CA -1.482 54.557 56.100 -0.103 0.000 0.902 153 R CB 1.822 32.063 30.300 -0.099 0.000 1.233 153 R HN -0.009 nan 8.270 nan 0.000 0.455 154 P HA 0.161 nan 4.420 nan 0.000 0.266 154 P C -0.404 176.800 177.300 -0.160 0.000 1.195 154 P CA 0.066 63.089 63.100 -0.129 0.000 0.768 154 P CB 0.482 32.093 31.700 -0.149 0.000 0.838 155 I N 2.384 122.872 120.570 -0.137 0.000 2.441 155 I HA 0.254 4.427 4.170 0.006 0.000 0.295 155 I C 0.529 176.550 176.117 -0.160 0.000 0.994 155 I CA -0.726 60.495 61.300 -0.132 0.000 1.144 155 I CB 1.190 39.156 38.000 -0.056 0.000 1.314 155 I HN 0.157 nan 8.210 nan 0.000 0.445 156 N N 5.345 123.896 118.700 -0.248 0.000 2.406 156 N HA 0.130 4.873 4.740 0.006 0.000 0.251 156 N C -0.943 174.650 175.510 0.139 0.000 1.069 156 N CA -0.282 52.614 53.050 -0.256 0.000 0.947 156 N CB 1.232 39.133 38.487 -0.976 0.000 1.111 156 N HN 0.427 nan 8.380 nan 0.000 0.497 157 Y N 2.343 122.650 120.300 0.011 0.000 2.301 157 Y HA 0.252 4.806 4.550 0.006 0.000 0.325 157 Y C -0.262 175.708 175.900 0.116 0.000 1.203 157 Y CA -0.449 57.677 58.100 0.044 0.000 1.255 157 Y CB 0.563 39.013 38.460 -0.017 0.000 1.232 157 Y HN 0.582 nan 8.280 nan 0.000 0.501 158 H N 2.430 121.160 119.070 -0.566 0.000 3.140 158 H HA 0.491 5.050 4.556 0.006 0.000 0.336 158 H C -1.469 173.497 175.328 -0.603 0.000 1.142 158 H CA -0.196 55.603 56.048 -0.415 0.000 1.308 158 H CB 1.366 31.117 29.762 -0.020 0.000 1.970 158 H HN 0.742 nan 8.280 nan 0.000 0.521 159 S N 2.439 117.879 115.700 -0.434 0.000 3.121 159 S HA 0.442 4.916 4.470 0.006 0.000 0.324 159 S C -1.914 172.507 174.600 -0.298 0.000 1.192 159 S CA -0.580 57.445 58.200 -0.292 0.000 0.937 159 S CB 0.638 63.693 63.200 -0.241 0.000 1.336 159 S HN 0.468 nan 8.310 nan 0.000 0.664 160 Y N 1.063 121.461 120.300 0.163 0.000 2.328 160 Y HA 0.481 5.034 4.550 0.006 0.000 0.337 160 Y C 0.313 176.306 175.900 0.156 0.000 0.966 160 Y CA -0.593 57.580 58.100 0.121 0.000 1.136 160 Y CB 1.593 40.023 38.460 -0.049 0.000 1.170 160 Y HN 0.268 nan 8.280 nan 0.000 0.470 161 V N 2.995 123.046 119.914 0.228 0.000 3.099 161 V HA 0.081 4.205 4.120 0.006 0.000 0.387 161 V C 0.570 176.689 176.094 0.041 0.000 1.358 161 V CA 0.236 62.573 62.300 0.061 0.000 1.528 161 V CB -0.874 30.971 31.823 0.037 0.000 1.342 161 V HN 0.739 nan 8.190 nan 0.000 0.513 162 S N 0.239 115.977 115.700 0.064 0.000 2.718 162 S HA 0.899 5.373 4.470 0.006 0.000 0.292 162 S C 0.394 174.995 174.600 0.003 0.000 1.125 162 S CA 0.413 58.636 58.200 0.039 0.000 1.013 162 S CB 1.563 64.792 63.200 0.048 0.000 1.192 162 S HN 1.065 nan 8.310 nan 0.000 0.535 163 G N -0.701 108.104 108.800 0.007 0.000 2.655 163 G HA2 -0.160 3.803 3.960 0.006 0.000 0.680 163 G HA3 -0.160 3.803 3.960 0.006 0.000 0.680 163 G C 0.530 175.429 174.900 -0.001 0.000 1.302 163 G CA -0.089 44.995 45.100 -0.025 0.000 0.872 163 G HN 1.538 nan 8.290 nan 0.000 0.540 164 V N -2.906 117.020 119.914 0.021 0.000 2.759 164 V HA 0.403 4.526 4.120 0.006 0.000 0.256 164 V C 2.265 178.385 176.094 0.044 0.000 1.080 164 V CA 2.568 64.897 62.300 0.049 0.000 1.101 164 V CB -0.453 31.421 31.823 0.084 0.000 0.698 164 V HN 2.402 nan 8.190 nan 0.000 0.477 165 A N 0.680 123.519 122.820 0.033 0.000 2.640 165 A HA 0.615 4.939 4.320 0.006 0.000 0.282 165 A C 1.887 179.461 177.584 -0.017 0.000 1.357 165 A CA 0.463 52.512 52.037 0.021 0.000 0.946 165 A CB -0.921 18.099 19.000 0.034 0.000 1.065 165 A HN 0.587 nan 8.150 nan 0.000 0.541 166 G N 1.788 110.580 108.800 -0.014 0.000 2.628 166 G HA2 -0.242 3.721 3.960 0.006 0.000 0.217 166 G HA3 -0.242 3.721 3.960 0.006 0.000 0.217 166 G C -0.329 174.542 174.900 -0.049 0.000 1.240 166 G CA 1.578 46.657 45.100 -0.034 0.000 0.792 166 G HN 0.491 nan 8.290 nan 0.000 0.593 167 P HA 0.029 nan 4.420 nan 0.000 0.220 167 P C 0.794 178.081 177.300 -0.023 0.000 1.148 167 P CA 1.423 64.522 63.100 -0.002 0.000 0.803 167 P CB -0.038 31.686 31.700 0.039 0.000 0.782 168 D N -0.221 120.160 120.400 -0.031 0.000 2.095 168 D HA -0.160 4.483 4.640 0.006 0.000 0.192 168 D C 1.859 178.096 176.300 -0.105 0.000 0.990 168 D CA 1.178 55.153 54.000 -0.042 0.000 0.836 168 D CB -0.878 39.905 40.800 -0.027 0.000 0.979 168 D HN 0.108 nan 8.370 nan 0.000 0.447 169 I N 1.080 121.539 120.570 -0.187 0.000 2.194 169 I HA -0.322 3.852 4.170 0.006 0.000 0.246 169 I C 2.445 178.216 176.117 -0.575 0.000 1.093 169 I CA 1.212 62.257 61.300 -0.424 0.000 1.355 169 I CB -0.426 37.268 38.000 -0.510 0.000 1.046 169 I HN 0.001 nan 8.210 nan 0.000 0.413 170 A N 0.531 123.146 122.820 -0.341 0.000 1.917 170 A HA -0.177 4.147 4.320 0.006 0.000 0.219 170 A C 2.465 180.041 177.584 -0.013 0.000 1.182 170 A CA 2.107 54.051 52.037 -0.156 0.000 0.633 170 A CB -1.054 17.922 19.000 -0.040 0.000 0.819 170 A HN 0.262 nan 8.150 nan 0.000 0.448 171 V N -0.119 119.782 119.914 -0.022 0.000 2.233 171 V HA -0.358 3.766 4.120 0.006 0.000 0.247 171 V C 2.571 178.713 176.094 0.080 0.000 1.050 171 V CA 2.314 64.630 62.300 0.026 0.000 1.010 171 V CB -0.761 31.062 31.823 -0.001 0.000 0.637 171 V HN 0.693 nan 8.190 nan 0.000 0.444 172 M N -0.585 119.044 119.600 0.047 0.000 2.082 172 M HA -0.221 4.263 4.480 0.006 0.000 0.258 172 M C 2.282 178.772 176.300 0.317 0.000 1.071 172 M CA 2.344 57.731 55.300 0.146 0.000 1.103 172 M CB -0.511 32.158 32.600 0.115 0.000 1.307 172 M HN 0.334 nan 8.290 nan 0.000 0.409 173 F N 0.691 120.700 119.950 0.098 0.000 2.147 173 F HA -0.210 4.321 4.527 0.006 0.000 0.301 173 F C 2.815 178.698 175.800 0.138 0.000 1.084 173 F CA 1.258 59.319 58.000 0.101 0.000 1.268 173 F CB -1.999 37.032 39.000 0.051 0.000 1.009 173 F HN 0.282 nan 8.300 nan 0.000 0.486 174 A N -0.211 122.823 122.820 0.357 0.000 1.902 174 A HA -0.206 4.117 4.320 0.006 0.000 0.217 174 A C 2.180 179.987 177.584 0.372 0.000 1.181 174 A CA 1.802 54.067 52.037 0.379 0.000 0.623 174 A CB -0.742 18.497 19.000 0.398 0.000 0.818 174 A HN 0.431 nan 8.150 nan 0.000 0.443 175 E N -0.241 120.131 120.200 0.286 0.000 2.028 175 E HA -0.116 4.237 4.350 0.006 0.000 0.190 175 E C 1.368 178.093 176.600 0.209 0.000 0.984 175 E CA 1.053 57.593 56.400 0.234 0.000 0.800 175 E CB -0.108 29.696 29.700 0.174 0.000 0.758 175 E HN 0.462 nan 8.360 nan 0.000 0.448 176 E N -0.140 120.201 120.200 0.236 0.000 2.485 176 E HA 0.016 4.369 4.350 0.006 0.000 0.194 176 E C 0.851 177.580 176.600 0.215 0.000 1.098 176 E CA 0.617 57.156 56.400 0.232 0.000 0.878 176 E CB 0.301 30.166 29.700 0.275 0.000 0.939 176 E HN 0.431 nan 8.360 nan 0.000 0.503 177 G N 0.983 109.893 108.800 0.183 0.000 2.153 177 G HA2 -0.309 3.655 3.960 0.006 0.000 0.252 177 G HA3 -0.309 3.655 3.960 0.006 0.000 0.252 177 G C 0.512 175.495 174.900 0.138 0.000 0.994 177 G CA 0.371 45.555 45.100 0.139 0.000 0.698 177 G HN 0.219 nan 8.290 nan 0.000 0.521 178 V N 0.047 120.034 119.914 0.123 0.000 2.673 178 V HA 0.088 4.211 4.120 0.006 0.000 0.303 178 V C 1.515 177.631 176.094 0.036 0.000 1.046 178 V CA 1.321 63.630 62.300 0.015 0.000 1.126 178 V CB 0.996 32.617 31.823 -0.337 0.000 0.934 178 V HN 0.495 nan 8.190 nan 0.000 0.487 179 N N 1.871 120.611 118.700 0.067 0.000 2.405 179 N HA 0.312 5.056 4.740 0.006 0.000 0.175 179 N C 0.483 176.181 175.510 0.313 0.000 1.051 179 N CA 0.628 53.765 53.050 0.145 0.000 0.899 179 N CB 0.458 38.982 38.487 0.061 0.000 1.000 179 N HN 0.842 nan 8.380 nan 0.000 0.451 180 G N -0.933 107.982 108.800 0.191 0.000 2.623 180 G HA2 0.761 4.725 3.960 0.006 0.000 0.290 180 G HA3 0.761 4.725 3.960 0.006 0.000 0.290 180 G C -2.031 172.537 174.900 -0.552 0.000 1.437 180 G CA -0.261 44.845 45.100 0.009 0.000 0.798 180 G HN 0.173 nan 8.290 nan 0.000 0.488 181 A N -0.232 122.189 122.820 -0.665 0.000 2.605 181 A HA 0.703 5.026 4.320 0.006 0.000 0.294 181 A C -1.188 176.191 177.584 -0.342 0.000 1.062 181 A CA -0.798 50.754 52.037 -0.809 0.000 0.682 181 A CB 0.770 19.631 19.000 -0.232 0.000 1.278 181 A HN 0.917 nan 8.150 nan 0.000 0.410 182 H N 1.189 120.107 119.070 -0.253 0.000 2.815 182 H HA 0.505 5.064 4.556 0.006 0.000 0.350 182 H C -0.015 175.319 175.328 0.011 0.000 1.080 182 H CA 1.343 57.389 56.048 -0.003 0.000 1.433 182 H CB 0.633 30.504 29.762 0.182 0.000 1.432 182 H HN 0.445 nan 8.280 nan 0.000 0.592 183 Q N 2.756 122.610 119.800 0.090 0.000 2.605 183 Q HA 0.143 4.486 4.340 0.006 0.000 0.228 183 Q C -1.911 174.092 176.000 0.005 0.000 0.805 183 Q CA -0.506 55.325 55.803 0.047 0.000 0.894 183 Q CB 1.165 29.916 28.738 0.020 0.000 1.469 183 Q HN 0.767 nan 8.270 nan 0.000 0.445 184 D N 5.283 125.680 120.400 -0.004 0.000 2.323 184 D HA 0.266 4.910 4.640 0.006 0.000 0.242 184 D C -1.780 174.429 176.300 -0.152 0.000 1.347 184 D CA -1.475 52.481 54.000 -0.073 0.000 0.988 184 D CB 1.686 42.482 40.800 -0.008 0.000 1.314 184 D HN 0.158 nan 8.370 nan 0.000 0.564 185 P HA -0.246 nan 4.420 nan 0.000 0.218 185 P C 1.044 178.060 177.300 -0.473 0.000 1.147 185 P CA 1.216 63.935 63.100 -0.635 0.000 0.827 185 P CB 0.416 31.203 31.700 -1.521 0.000 0.778 186 Q N -1.757 117.855 119.800 -0.314 0.000 2.226 186 Q HA -0.193 4.151 4.340 0.006 0.000 0.204 186 Q C 2.242 178.186 176.000 -0.093 0.000 0.975 186 Q CA 1.081 56.804 55.803 -0.134 0.000 0.866 186 Q CB -0.681 27.987 28.738 -0.117 0.000 0.915 186 Q HN 0.333 nan 8.270 nan 0.000 0.440 187 Y N 2.261 122.518 120.300 -0.071 0.000 2.114 187 Y HA -0.247 4.307 4.550 0.006 0.000 0.284 187 Y C 1.898 177.807 175.900 0.016 0.000 1.143 187 Y CA 1.608 59.766 58.100 0.097 0.000 1.135 187 Y CB -0.199 38.323 38.460 0.103 0.000 0.980 187 Y HN 0.073 nan 8.280 nan 0.000 0.499 188 N N 0.135 118.840 118.700 0.009 0.000 2.037 188 N HA -0.219 4.524 4.740 0.006 0.000 0.196 188 N C 1.896 177.323 175.510 -0.138 0.000 1.034 188 N CA 2.194 55.201 53.050 -0.072 0.000 0.861 188 N CB -0.856 37.603 38.487 -0.047 0.000 1.039 188 N HN 0.328 nan 8.380 nan 0.000 0.427 189 V N 1.340 121.181 119.914 -0.122 0.000 2.229 189 V HA -0.164 3.960 4.120 0.006 0.000 0.243 189 V C 2.480 178.445 176.094 -0.215 0.000 1.042 189 V CA 1.365 63.611 62.300 -0.090 0.000 1.000 189 V CB -0.783 31.058 31.823 0.030 0.000 0.637 189 V HN 0.221 nan 8.190 nan 0.000 0.446 190 L N -1.296 119.691 121.223 -0.394 0.000 2.046 190 L HA -0.187 4.157 4.340 0.006 0.000 0.208 190 L C 2.464 178.925 176.870 -0.682 0.000 1.077 190 L CA 1.992 56.445 54.840 -0.645 0.000 0.747 190 L CB -0.464 40.938 42.059 -1.094 0.000 0.896 190 L HN 0.415 nan 8.230 nan 0.000 0.432 191 Y N -2.117 117.974 120.300 -0.347 0.000 2.498 191 Y HA 0.168 4.722 4.550 0.006 0.000 0.259 191 Y C 2.025 177.707 175.900 -0.363 0.000 1.086 191 Y CA -0.246 57.607 58.100 -0.411 0.000 1.287 191 Y CB 0.206 38.289 38.460 -0.628 0.000 1.146 191 Y HN -0.077 nan 8.280 nan 0.000 0.523 192 R N 0.228 120.580 120.500 -0.246 0.000 2.437 192 R HA 0.134 4.477 4.340 0.006 0.000 0.257 192 R C -0.069 176.240 176.300 0.015 0.000 0.927 192 R CA -0.142 55.902 56.100 -0.094 0.000 1.078 192 R CB -0.543 29.673 30.300 -0.139 0.000 1.161 192 R HN 0.184 nan 8.270 nan 0.000 0.529 193 N N 1.302 119.973 118.700 -0.049 0.000 2.714 193 N HA -0.200 4.543 4.740 0.006 0.000 0.252 193 N C -0.993 174.525 175.510 0.013 0.000 1.014 193 N CA 0.416 53.452 53.050 -0.023 0.000 0.735 193 N CB -1.263 37.216 38.487 -0.013 0.000 0.924 193 N HN 0.304 nan 8.380 nan 0.000 0.540 194 I N 0.491 121.067 120.570 0.010 0.000 2.385 194 I HA 0.139 4.312 4.170 0.006 0.000 0.294 194 I C 1.151 177.282 176.117 0.024 0.000 0.988 194 I CA -0.770 60.549 61.300 0.033 0.000 1.265 194 I CB 1.051 39.074 38.000 0.037 0.000 1.388 194 I HN 0.239 nan 8.210 nan 0.000 0.480 195 N N 6.520 125.234 118.700 0.023 0.000 2.292 195 N HA -0.082 4.662 4.740 0.006 0.000 0.258 195 N C 1.108 176.656 175.510 0.063 0.000 1.261 195 N CA 0.202 53.259 53.050 0.012 0.000 0.845 195 N CB 0.713 39.195 38.487 -0.008 0.000 1.064 195 N HN 0.697 nan 8.380 nan 0.000 0.471 196 M N 3.812 123.461 119.600 0.081 0.000 2.175 196 M HA -0.121 4.363 4.480 0.006 0.000 0.264 196 M C 1.523 178.060 176.300 0.395 0.000 1.063 196 M CA 1.451 56.937 55.300 0.310 0.000 1.119 196 M CB -0.277 32.565 32.600 0.402 0.000 1.377 196 M HN 0.450 nan 8.290 nan 0.000 0.415 197 I N 0.677 121.241 120.570 -0.011 0.000 2.179 197 I HA -0.216 3.957 4.170 0.006 0.000 0.242 197 I C 2.846 179.063 176.117 0.166 0.000 1.088 197 I CA 1.508 62.817 61.300 0.015 0.000 1.357 197 I CB -0.737 37.136 38.000 -0.212 0.000 1.051 197 I HN 0.338 nan 8.210 nan 0.000 0.409 198 R N 1.489 122.047 120.500 0.097 0.000 2.083 198 R HA -0.175 4.168 4.340 0.006 0.000 0.237 198 R C 2.366 178.742 176.300 0.126 0.000 1.137 198 R CA 2.245 58.407 56.100 0.103 0.000 0.951 198 R CB -1.055 29.287 30.300 0.070 0.000 0.851 198 R HN 0.260 nan 8.270 nan 0.000 0.434 199 S N -0.769 115.009 115.700 0.129 0.000 2.365 199 S HA -0.147 4.327 4.470 0.006 0.000 0.221 199 S C 1.728 176.312 174.600 -0.026 0.000 1.037 199 S CA 1.678 59.898 58.200 0.033 0.000 1.060 199 S CB -0.460 62.739 63.200 -0.003 0.000 0.974 199 S HN 0.438 nan 8.310 nan 0.000 0.427 200 F N 1.114 121.100 119.950 0.060 0.000 2.325 200 F HA 0.185 4.716 4.527 0.006 0.000 0.299 200 F C 2.024 177.906 175.800 0.136 0.000 1.090 200 F CA 0.559 58.559 58.000 0.000 0.000 1.392 200 F CB -0.349 38.640 39.000 -0.019 0.000 1.053 200 F HN 0.222 nan 8.300 nan 0.000 0.521 201 I N -0.269 120.489 120.570 0.314 0.000 2.394 201 I HA -0.243 3.930 4.170 0.006 0.000 0.251 201 I C 1.735 177.947 176.117 0.158 0.000 1.136 201 I CA 1.128 62.569 61.300 0.236 0.000 1.425 201 I CB -0.370 37.752 38.000 0.203 0.000 1.079 201 I HN -0.002 nan 8.210 nan 0.000 0.425 202 D N 1.053 121.524 120.400 0.118 0.000 2.123 202 D HA -0.081 4.563 4.640 0.006 0.000 0.200 202 D C 2.295 178.620 176.300 0.042 0.000 0.976 202 D CA 1.380 55.424 54.000 0.073 0.000 0.831 202 D CB -0.165 40.664 40.800 0.049 0.000 0.974 202 D HN 0.288 nan 8.370 nan 0.000 0.469 203 A N 0.187 123.021 122.820 0.023 0.000 1.972 203 A HA -0.179 4.144 4.320 0.006 0.000 0.219 203 A C 2.407 180.034 177.584 0.072 0.000 1.169 203 A CA 1.073 53.117 52.037 0.011 0.000 0.635 203 A CB -0.937 17.984 19.000 -0.132 0.000 0.810 203 A HN 0.341 nan 8.150 nan 0.000 0.446 204 C N -1.065 118.262 119.300 0.044 0.000 2.413 204 C HA -0.083 4.381 4.460 0.006 0.000 0.277 204 C C 2.677 177.475 174.990 -0.319 0.000 1.265 204 C CA 1.534 60.319 59.018 -0.388 0.000 1.752 204 C CB -0.901 26.398 27.740 -0.735 0.000 1.998 204 C HN 0.777 nan 8.230 nan 0.000 0.489 205 E N 0.983 121.137 120.200 -0.076 0.000 2.042 205 E HA -0.066 4.287 4.350 0.006 0.000 0.189 205 E C 2.263 178.884 176.600 0.034 0.000 0.974 205 E CA 1.355 57.769 56.400 0.023 0.000 0.806 205 E CB -0.244 29.503 29.700 0.078 0.000 0.769 205 E HN 0.466 nan 8.360 nan 0.000 0.451 206 S N 0.784 116.499 115.700 0.024 0.000 2.380 206 S HA -0.223 4.251 4.470 0.006 0.000 0.229 206 S C 1.815 176.440 174.600 0.041 0.000 1.043 206 S CA 1.637 59.852 58.200 0.025 0.000 1.038 206 S CB -0.279 62.924 63.200 0.006 0.000 0.872 206 S HN 0.233 nan 8.310 nan 0.000 0.456 207 K N 0.317 120.735 120.400 0.029 0.000 2.062 207 K HA -0.015 4.309 4.320 0.006 0.000 0.205 207 K C 2.401 179.034 176.600 0.056 0.000 1.051 207 K CA 1.413 57.724 56.287 0.040 0.000 0.941 207 K CB -0.434 32.090 32.500 0.039 0.000 0.719 207 K HN 0.267 nan 8.250 nan 0.000 0.440 208 T N 1.774 116.354 114.554 0.043 0.000 2.720 208 T HA -0.122 4.232 4.350 0.006 0.000 0.268 208 T C 1.865 176.660 174.700 0.158 0.000 1.037 208 T CA 1.218 63.387 62.100 0.114 0.000 1.144 208 T CB -0.154 68.806 68.868 0.154 0.000 0.864 208 T HN 0.133 nan 8.240 nan 0.000 0.444 209 I N 0.275 120.927 120.570 0.137 0.000 2.439 209 I HA -0.067 4.106 4.170 0.006 0.000 0.251 209 I C 2.392 178.662 176.117 0.255 0.000 1.139 209 I CA 1.061 62.465 61.300 0.173 0.000 1.438 209 I CB -0.247 37.818 38.000 0.108 0.000 1.085 209 I HN 0.233 nan 8.210 nan 0.000 0.427 210 M N -0.178 119.529 119.600 0.179 0.000 2.419 210 M HA -0.060 4.424 4.480 0.006 0.000 0.264 210 M C 2.206 178.597 176.300 0.151 0.000 1.082 210 M CA 1.193 56.590 55.300 0.161 0.000 1.119 210 M CB -0.130 32.529 32.600 0.099 0.000 1.398 210 M HN 0.278 nan 8.290 nan 0.000 0.453 211 A N -1.320 121.597 122.820 0.162 0.000 2.123 211 A HA -0.120 4.204 4.320 0.006 0.000 0.214 211 A C 1.706 179.396 177.584 0.177 0.000 1.152 211 A CA 0.241 52.359 52.037 0.135 0.000 0.728 211 A CB -0.689 18.383 19.000 0.120 0.000 0.814 211 A HN 0.755 nan 8.150 nan 0.000 0.464 212 W N 0.586 121.920 121.300 0.057 0.000 2.443 212 W HA 0.102 4.766 4.660 0.006 0.000 0.296 212 W C 2.072 178.625 176.519 0.056 0.000 1.202 212 W CA 1.419 58.798 57.345 0.057 0.000 1.312 212 W CB -0.049 29.448 29.460 0.061 0.000 1.120 212 W HN 0.250 nan 8.180 nan 0.000 0.536 213 A N 0.326 123.249 122.820 0.171 0.000 2.178 213 A HA -0.136 4.188 4.320 0.006 0.000 0.218 213 A C 0.972 178.491 177.584 -0.108 0.000 1.157 213 A CA 1.671 53.684 52.037 -0.040 0.000 0.689 213 A CB -1.045 18.078 19.000 0.204 0.000 0.787 213 A HN 0.513 nan 8.150 nan 0.000 0.465 214 D N -2.703 117.665 120.400 -0.055 0.000 2.837 214 D HA -0.162 4.481 4.640 0.006 0.000 0.230 214 D C 0.017 176.328 176.300 0.018 0.000 1.152 214 D CA 0.908 54.892 54.000 -0.027 0.000 0.736 214 D CB -1.481 39.276 40.800 -0.071 0.000 1.084 214 D HN 0.588 nan 8.370 nan 0.000 0.429 215 M N 0.315 119.935 119.600 0.033 0.000 2.241 215 M HA 0.445 4.928 4.480 0.006 0.000 0.335 215 M C 0.954 177.218 176.300 -0.061 0.000 1.122 215 M CA 0.027 55.346 55.300 0.033 0.000 1.164 215 M CB 1.081 33.704 32.600 0.040 0.000 1.459 215 M HN 0.167 nan 8.290 nan 0.000 0.461 216 A N 2.124 124.823 122.820 -0.202 0.000 2.354 216 A HA 0.314 4.638 4.320 0.006 0.000 0.269 216 A C -0.506 176.888 177.584 -0.316 0.000 1.109 216 A CA -0.399 51.361 52.037 -0.463 0.000 0.800 216 A CB 0.506 18.738 19.000 -1.279 0.000 1.045 216 A HN 0.798 nan 8.150 nan 0.000 0.489 217 Q N 1.170 120.832 119.800 -0.230 0.000 2.309 217 Q HA 0.690 5.033 4.340 0.006 0.000 0.264 217 Q C -1.491 174.404 176.000 -0.175 0.000 1.008 217 Q CA -0.490 55.221 55.803 -0.154 0.000 0.853 217 Q CB 1.141 29.843 28.738 -0.059 0.000 1.314 217 Q HN 0.717 nan 8.270 nan 0.000 0.448 218 I N 3.257 123.704 120.570 -0.205 0.000 2.498 218 I HA 0.234 4.407 4.170 0.006 0.000 0.290 218 I C -0.509 175.486 176.117 -0.203 0.000 1.032 218 I CA -1.027 60.106 61.300 -0.278 0.000 1.073 218 I CB 1.825 39.495 38.000 -0.551 0.000 1.251 218 I HN 0.748 nan 8.210 nan 0.000 0.426 224 A N 1.395 124.189 122.820 -0.044 0.000 1.927 224 A HA -0.180 4.144 4.320 0.006 0.000 0.220 224 A C 2.092 179.650 177.584 -0.042 0.000 1.185 224 A CA 2.272 54.180 52.037 -0.215 0.000 0.639 224 A CB -0.863 17.543 19.000 -0.991 0.000 0.820 224 A HN 0.824 nan 8.150 nan 0.000 0.451 225 H N -0.813 118.229 119.070 -0.047 0.000 2.545 225 H HA 0.020 4.580 4.556 0.006 0.000 0.282 225 H C 1.251 176.577 175.328 -0.003 0.000 1.020 225 H CA 1.046 57.112 56.048 0.031 0.000 1.243 225 H CB -0.717 29.086 29.762 0.068 0.000 1.377 225 H HN 0.426 nan 8.280 nan 0.000 0.581 226 N N 1.302 119.656 118.700 -0.576 0.000 2.348 226 N HA -0.071 4.673 4.740 0.006 0.000 0.185 226 N C 1.925 177.294 175.510 -0.235 0.000 1.019 226 N CA 1.209 53.946 53.050 -0.523 0.000 0.880 226 N CB -0.074 38.035 38.487 -0.629 0.000 0.965 226 N HN 0.589 nan 8.380 nan 0.000 0.437 227 A N 1.377 124.172 122.820 -0.041 0.000 1.929 227 A HA -0.095 4.229 4.320 0.006 0.000 0.216 227 A C 1.976 179.556 177.584 -0.007 0.000 1.176 227 A CA 0.913 52.979 52.037 0.049 0.000 0.628 227 A CB -0.214 18.840 19.000 0.090 0.000 0.816 227 A HN 0.240 nan 8.150 nan 0.000 0.444 228 N N 1.342 120.030 118.700 -0.020 0.000 2.025 228 N HA -0.153 4.590 4.740 0.006 0.000 0.194 228 N C 1.832 177.293 175.510 -0.082 0.000 1.044 228 N CA 1.888 54.921 53.050 -0.028 0.000 0.851 228 N CB -0.932 37.566 38.487 0.018 0.000 1.036 228 N HN 0.426 nan 8.380 nan 0.000 0.422 229 A N 0.268 123.025 122.820 -0.105 0.000 2.076 229 A HA -0.147 4.177 4.320 0.006 0.000 0.220 229 A C 2.331 179.826 177.584 -0.148 0.000 1.160 229 A CA 2.294 54.242 52.037 -0.148 0.000 0.653 229 A CB -0.861 18.047 19.000 -0.153 0.000 0.801 229 A HN 0.613 nan 8.150 nan 0.000 0.455 230 T N -2.911 111.576 114.554 -0.111 0.000 2.988 230 T HA 0.479 4.833 4.350 0.006 0.000 0.240 230 T C 1.131 175.806 174.700 -0.042 0.000 1.014 230 T CA 0.547 62.609 62.100 -0.064 0.000 1.155 230 T CB -0.849 68.021 68.868 0.003 0.000 0.872 230 T HN 0.772 nan 8.240 nan 0.000 0.440 231 A N 3.004 125.806 122.820 -0.030 0.000 2.565 231 A HA 0.278 4.602 4.320 0.006 0.000 0.237 231 A C 1.626 179.170 177.584 -0.068 0.000 1.053 231 A CA -0.431 51.584 52.037 -0.036 0.000 0.755 231 A CB 0.151 19.129 19.000 -0.037 0.000 0.980 231 A HN 0.434 nan 8.150 nan 0.000 0.506 232 R N 1.680 122.143 120.500 -0.063 0.000 2.132 232 R HA -0.165 4.179 4.340 0.006 0.000 0.233 232 R C -0.014 176.244 176.300 -0.071 0.000 1.125 232 R CA 1.847 57.913 56.100 -0.057 0.000 0.914 232 R CB -0.615 29.653 30.300 -0.053 0.000 0.845 232 R HN 0.867 nan 8.270 nan 0.000 0.431 233 E N -0.109 119.955 120.200 -0.227 0.000 2.063 233 E HA 0.315 4.668 4.350 0.006 0.000 0.265 233 E C 0.301 176.558 176.600 -0.572 0.000 0.919 233 E CA -0.135 55.967 56.400 -0.496 0.000 0.756 233 E CB 1.573 30.611 29.700 -1.103 0.000 1.120 233 E HN 0.263 nan 8.360 nan 0.000 0.414 234 A N 3.612 126.399 122.820 -0.054 0.000 2.032 234 A HA -0.181 4.143 4.320 0.006 0.000 0.221 234 A C 1.623 179.218 177.584 0.020 0.000 1.165 234 A CA 1.278 53.339 52.037 0.039 0.000 0.645 234 A CB -0.721 18.412 19.000 0.222 0.000 0.807 234 A HN 0.912 nan 8.150 nan 0.000 0.453 235 W N -0.472 120.842 121.300 0.022 0.000 2.800 235 W HA 0.177 4.840 4.660 0.006 0.000 0.249 235 W C 1.300 177.755 176.519 -0.107 0.000 1.294 235 W CA 0.786 58.100 57.345 -0.051 0.000 1.402 235 W CB 0.029 29.451 29.460 -0.064 0.000 1.126 235 W HN 0.105 nan 8.180 nan 0.000 0.652 236 K N 0.593 120.636 120.400 -0.595 0.000 2.365 236 K HA 0.023 4.346 4.320 0.006 0.000 0.197 236 K C 1.629 178.246 176.600 0.027 0.000 1.042 236 K CA 0.629 56.709 56.287 -0.345 0.000 0.987 236 K CB 0.048 32.298 32.500 -0.417 0.000 0.779 236 K HN 0.115 nan 8.250 nan 0.000 0.484 237 V N 1.591 121.475 119.914 -0.049 0.000 3.630 237 V HA -0.035 4.088 4.120 0.006 0.000 0.273 237 V C 1.500 177.599 176.094 0.008 0.000 1.248 237 V CA 0.639 62.945 62.300 0.009 0.000 1.170 237 V CB -0.479 31.332 31.823 -0.021 0.000 0.899 237 V HN 0.330 nan 8.190 nan 0.000 0.457 238 M N 0.536 120.142 119.600 0.009 0.000 2.117 238 M HA -0.081 4.402 4.480 0.006 0.000 0.262 238 M C -0.136 176.227 176.300 0.105 0.000 1.065 238 M CA 2.126 57.373 55.300 -0.089 0.000 1.114 238 M CB -1.501 31.050 32.600 -0.081 0.000 1.361 238 M HN 0.289 nan 8.290 nan 0.000 0.408 239 P HA -0.187 nan 4.420 nan 0.000 0.215 239 P C 1.183 178.436 177.300 -0.078 0.000 1.153 239 P CA 1.317 64.483 63.100 0.111 0.000 0.853 239 P CB -0.164 31.629 31.700 0.154 0.000 0.788 240 E N -0.201 119.907 120.200 -0.153 0.000 2.110 240 E HA -0.173 4.180 4.350 0.006 0.000 0.193 240 E C 1.876 178.422 176.600 -0.089 0.000 0.988 240 E CA 0.882 57.086 56.400 -0.327 0.000 0.804 240 E CB -0.606 29.014 29.700 -0.132 0.000 0.745 240 E HN 0.092 nan 8.360 nan 0.000 0.458 241 L N 0.231 121.476 121.223 0.036 0.000 1.963 241 L HA -0.298 4.045 4.340 0.006 0.000 0.220 241 L C 2.898 179.968 176.870 0.334 0.000 1.076 241 L CA 1.943 56.891 54.840 0.178 0.000 0.772 241 L CB -0.631 41.554 42.059 0.210 0.000 0.892 241 L HN 0.303 nan 8.230 nan 0.000 0.435 242 M N -0.957 118.856 119.600 0.356 0.000 2.143 242 M HA -0.242 4.241 4.480 0.006 0.000 0.258 242 M C 2.271 178.751 176.300 0.299 0.000 1.071 242 M CA 1.556 57.073 55.300 0.361 0.000 1.088 242 M CB -0.698 32.094 32.600 0.320 0.000 1.360 242 M HN 0.147 nan 8.290 nan 0.000 0.404 243 V N 0.126 120.099 119.914 0.098 0.000 2.379 243 V HA -0.238 3.885 4.120 0.006 0.000 0.245 243 V C 2.384 178.542 176.094 0.106 0.000 1.044 243 V CA 1.680 64.008 62.300 0.047 0.000 1.036 243 V CB -0.663 31.037 31.823 -0.204 0.000 0.664 243 V HN 0.510 nan 8.190 nan 0.000 0.453 244 Q N -0.936 118.902 119.800 0.063 0.000 2.050 244 Q HA -0.215 4.128 4.340 0.006 0.000 0.202 244 Q C 2.271 178.258 176.000 -0.021 0.000 0.980 244 Q CA 1.712 57.510 55.803 -0.009 0.000 0.840 244 Q CB -0.321 28.369 28.738 -0.080 0.000 0.898 244 Q HN 0.724 nan 8.270 nan 0.000 0.424 245 H N -0.076 119.005 119.070 0.018 0.000 2.353 245 H HA -0.125 4.434 4.556 0.006 0.000 0.298 245 H C 2.054 177.436 175.328 0.091 0.000 1.103 245 H CA 1.483 57.489 56.048 -0.069 0.000 1.293 245 H CB -0.022 29.494 29.762 -0.410 0.000 1.372 245 H HN 0.318 nan 8.280 nan 0.000 0.501 246 A N 1.210 124.278 122.820 0.413 0.000 1.897 246 A HA -0.068 4.256 4.320 0.006 0.000 0.215 246 A C 2.738 180.406 177.584 0.140 0.000 1.181 246 A CA 0.707 52.938 52.037 0.324 0.000 0.620 246 A CB -0.777 18.341 19.000 0.197 0.000 0.821 246 A HN 0.230 nan 8.150 nan 0.000 0.443 247 L N -0.512 120.766 121.223 0.092 0.000 2.042 247 L HA -0.235 4.109 4.340 0.006 0.000 0.210 247 L C 2.525 179.425 176.870 0.049 0.000 1.076 247 L CA 1.943 56.798 54.840 0.025 0.000 0.749 247 L CB -0.634 41.376 42.059 -0.082 0.000 0.893 247 L HN 0.549 nan 8.230 nan 0.000 0.432 248 N N -0.566 118.148 118.700 0.024 0.000 2.216 248 N HA -0.136 4.608 4.740 0.006 0.000 0.183 248 N C 1.858 177.450 175.510 0.137 0.000 1.017 248 N CA 1.362 54.435 53.050 0.038 0.000 0.861 248 N CB 0.152 38.621 38.487 -0.031 0.000 0.986 248 N HN 0.094 nan 8.380 nan 0.000 0.428 249 S N -0.209 115.554 115.700 0.105 0.000 2.387 249 S HA -0.015 4.458 4.470 0.006 0.000 0.226 249 S C 1.723 176.441 174.600 0.197 0.000 1.026 249 S CA 0.419 58.672 58.200 0.089 0.000 0.972 249 S CB -0.160 62.923 63.200 -0.195 0.000 0.814 249 S HN 0.344 nan 8.310 nan 0.000 0.477 250 I N 1.139 121.807 120.570 0.164 0.000 2.333 250 I HA 0.021 4.195 4.170 0.006 0.000 0.246 250 I C 1.788 178.008 176.117 0.172 0.000 1.106 250 I CA 0.726 62.130 61.300 0.173 0.000 1.411 250 I CB -0.545 37.521 38.000 0.109 0.000 1.082 250 I HN 0.247 nan 8.210 nan 0.000 0.420 251 F N 0.801 120.774 119.950 0.038 0.000 2.087 251 F HA -0.334 4.197 4.527 0.006 0.000 0.299 251 F C 2.611 178.426 175.800 0.024 0.000 1.100 251 F CA 2.269 60.282 58.000 0.021 0.000 1.226 251 F CB -0.463 38.546 39.000 0.015 0.000 0.983 251 F HN 0.070 nan 8.300 nan 0.000 0.479 252 S N 0.554 116.414 115.700 0.268 0.000 2.356 252 S HA -0.213 4.261 4.470 0.006 0.000 0.223 252 S C 1.825 176.471 174.600 0.076 0.000 1.032 252 S CA 1.423 59.719 58.200 0.159 0.000 1.005 252 S CB -0.753 62.558 63.200 0.186 0.000 0.867 252 S HN 0.389 nan 8.310 nan 0.000 0.449 253 L N 2.161 123.459 121.223 0.126 0.000 1.994 253 L HA -0.073 4.270 4.340 0.006 0.000 0.208 253 L C 2.115 179.008 176.870 0.039 0.000 1.071 253 L CA 1.777 56.675 54.840 0.097 0.000 0.745 253 L CB -0.480 41.667 42.059 0.147 0.000 0.892 253 L HN 0.060 nan 8.230 nan 0.000 0.431 254 K N -0.836 119.571 120.400 0.011 0.000 2.152 254 K HA -0.129 4.195 4.320 0.006 0.000 0.206 254 K C 2.061 178.661 176.600 0.001 0.000 1.048 254 K CA 1.514 57.796 56.287 -0.008 0.000 0.933 254 K CB -0.651 31.827 32.500 -0.037 0.000 0.721 254 K HN 0.300 nan 8.250 nan 0.000 0.447 255 V N -0.259 119.613 119.914 -0.070 0.000 2.427 255 V HA -0.121 4.003 4.120 0.006 0.000 0.248 255 V C 1.741 177.887 176.094 0.087 0.000 1.051 255 V CA 2.020 64.306 62.300 -0.023 0.000 1.048 255 V CB -0.061 31.586 31.823 -0.294 0.000 0.666 255 V HN 0.671 nan 8.190 nan 0.000 0.456 256 G N -2.231 106.602 108.800 0.054 0.000 2.902 256 G HA2 -0.108 3.856 3.960 0.006 0.000 0.215 256 G HA3 -0.108 3.856 3.960 0.006 0.000 0.215 256 G C 0.180 175.118 174.900 0.063 0.000 0.976 256 G CA -0.324 44.820 45.100 0.072 0.000 0.794 256 G HN 0.249 nan 8.290 nan 0.000 0.557 257 M N 1.809 121.444 119.600 0.059 0.000 2.248 257 M HA 0.216 4.700 4.480 0.006 0.000 0.345 257 M C 0.480 176.805 176.300 0.041 0.000 1.243 257 M CA 0.610 55.944 55.300 0.057 0.000 1.090 257 M CB 0.511 33.150 32.600 0.066 0.000 1.683 257 M HN 0.062 nan 8.290 nan 0.000 0.450 258 K N 2.497 122.915 120.400 0.030 0.000 2.326 258 K HA 0.068 4.392 4.320 0.006 0.000 0.275 258 K C 0.771 177.357 176.600 -0.024 0.000 1.018 258 K CA -0.269 56.020 56.287 0.003 0.000 0.962 258 K CB 0.866 33.373 32.500 0.012 0.000 0.953 258 K HN 0.547 nan 8.250 nan 0.000 0.475 259 K N 1.193 121.532 120.400 -0.102 0.000 2.160 259 K HA -0.183 4.140 4.320 0.006 0.000 0.206 259 K C 1.817 178.331 176.600 -0.142 0.000 1.047 259 K CA 2.006 58.144 56.287 -0.248 0.000 0.930 259 K CB -0.040 32.196 32.500 -0.440 0.000 0.720 259 K HN 0.702 nan 8.250 nan 0.000 0.450 260 S N 0.029 115.686 115.700 -0.071 0.000 2.561 260 S HA 0.004 4.477 4.470 0.006 0.000 0.225 260 S C 1.095 175.745 174.600 0.083 0.000 0.977 260 S CA 0.482 58.670 58.200 -0.020 0.000 0.926 260 S CB 0.061 63.251 63.200 -0.018 0.000 0.769 260 S HN 0.212 nan 8.310 nan 0.000 0.533 261 N N 0.769 119.507 118.700 0.063 0.000 2.204 261 N HA 0.376 5.120 4.740 0.006 0.000 0.219 261 N C -0.827 174.687 175.510 0.006 0.000 1.151 261 N CA 0.009 53.084 53.050 0.042 0.000 0.867 261 N CB 0.619 39.116 38.487 0.018 0.000 1.043 261 N HN 0.478 nan 8.380 nan 0.000 0.516 262 I N 1.371 121.986 120.570 0.075 0.000 2.328 262 I HA 0.276 4.449 4.170 0.006 0.000 0.287 262 I C -0.338 175.867 176.117 0.147 0.000 1.012 262 I CA -0.468 60.915 61.300 0.138 0.000 1.195 262 I CB 1.201 39.392 38.000 0.318 0.000 1.350 262 I HN -0.146 nan 8.210 nan 0.000 0.464 263 C N 6.804 126.124 119.300 0.034 0.000 2.382 263 C HA 0.549 5.013 4.460 0.006 0.000 0.327 263 C C 0.034 175.012 174.990 -0.020 0.000 1.250 263 C CA -0.750 58.268 59.018 -0.001 0.000 1.707 263 C CB 1.035 28.727 27.740 -0.080 0.000 2.272 263 C HN 0.458 nan 8.230 nan 0.000 0.506 264 L N 2.814 124.013 121.223 -0.039 0.000 2.265 264 L HA 0.319 4.662 4.340 0.006 0.000 0.288 264 L C 0.841 177.699 176.870 -0.020 0.000 1.058 264 L CA 0.630 55.446 54.840 -0.040 0.000 0.809 264 L CB 1.094 42.977 42.059 -0.294 0.000 1.179 264 L HN 0.762 nan 8.230 nan 0.000 0.429 265 S N 2.290 118.013 115.700 0.040 0.000 2.701 265 S HA 0.219 4.693 4.470 0.006 0.000 0.317 265 S C 0.112 174.724 174.600 0.021 0.000 1.149 265 S CA -0.358 57.779 58.200 -0.104 0.000 1.052 265 S CB -0.328 62.712 63.200 -0.266 0.000 1.257 265 S HN 0.651 nan 8.310 nan 0.000 0.532 266 T N 5.530 120.084 114.554 -0.000 0.000 2.809 266 T HA 0.516 4.869 4.350 0.006 0.000 0.296 266 T C -0.744 174.012 174.700 0.094 0.000 1.015 266 T CA -0.464 61.692 62.100 0.093 0.000 0.954 266 T CB 0.409 69.260 68.868 -0.028 0.000 0.950 266 T HN 0.368 nan 8.240 nan 0.000 0.450 267 V N 8.563 128.577 119.914 0.167 0.000 2.483 267 V HA 0.442 4.566 4.120 0.006 0.000 0.295 267 V C -2.156 174.045 176.094 0.179 0.000 1.035 267 V CA -2.238 60.150 62.300 0.146 0.000 0.896 267 V CB 1.662 33.582 31.823 0.161 0.000 0.986 267 V HN 0.727 nan 8.190 nan 0.000 0.447 268 P HA 0.196 nan 4.420 nan 0.000 0.270 268 P C -2.175 175.226 177.300 0.168 0.000 1.242 268 P CA -1.159 62.045 63.100 0.173 0.000 0.768 268 P CB 0.410 32.198 31.700 0.146 0.000 0.820 269 P HA -0.121 nan 4.420 nan 0.000 0.216 269 P C 0.445 177.926 177.300 0.301 0.000 1.150 269 P CA 1.576 64.779 63.100 0.173 0.000 0.837 269 P CB -0.053 31.712 31.700 0.109 0.000 0.786 270 T N -3.613 111.099 114.554 0.263 0.000 2.950 270 T HA 0.796 5.149 4.350 0.006 0.000 0.288 270 T C -0.408 174.374 174.700 0.137 0.000 1.035 270 T CA -0.903 61.337 62.100 0.234 0.000 1.028 270 T CB 2.262 71.198 68.868 0.114 0.000 1.109 270 T HN 0.034 nan 8.240 nan 0.000 0.514 271 A N 1.280 124.095 122.820 -0.008 0.000 2.530 271 A HA 0.918 5.242 4.320 0.006 0.000 0.288 271 A C -3.061 174.449 177.584 -0.125 0.000 1.172 271 A CA -2.081 49.944 52.037 -0.020 0.000 0.733 271 A CB 0.650 19.689 19.000 0.065 0.000 1.320 271 A HN 0.667 nan 8.150 nan 0.000 0.419 272 P HA 0.266 nan 4.420 nan 0.000 0.272 272 P C -1.972 175.251 177.300 -0.129 0.000 1.230 272 P CA -0.785 62.255 63.100 -0.101 0.000 0.788 272 P CB 0.169 31.831 31.700 -0.063 0.000 0.949 273 P HA 0.146 nan 4.420 nan 0.000 0.255 273 P C -0.260 176.951 177.300 -0.149 0.000 1.357 273 P CA 0.111 63.141 63.100 -0.116 0.000 0.839 273 P CB -0.086 31.556 31.700 -0.097 0.000 1.356 274 A N 2.353 125.057 122.820 -0.193 0.000 2.371 274 A HA 0.432 4.755 4.320 0.006 0.000 0.257 274 A C -2.033 175.448 177.584 -0.171 0.000 1.089 274 A CA -1.469 50.427 52.037 -0.236 0.000 0.794 274 A CB -0.468 18.337 19.000 -0.325 0.000 1.029 274 A HN 0.014 nan 8.150 nan 0.000 0.488 275 P HA 0.024 nan 4.420 nan 0.000 0.252 275 P C 0.792 178.069 177.300 -0.039 0.000 1.635 275 P CA 0.466 63.503 63.100 -0.105 0.000 1.206 275 P CB -0.215 31.401 31.700 -0.139 0.000 1.911 276 S N 2.180 117.862 115.700 -0.031 0.000 2.357 276 S HA -0.139 4.335 4.470 0.006 0.000 0.221 276 S C 1.850 176.485 174.600 0.059 0.000 1.031 276 S CA 0.727 58.929 58.200 0.004 0.000 0.982 276 S CB -0.736 62.468 63.200 0.006 0.000 0.853 276 S HN 0.074 nan 8.310 nan 0.000 0.458 277 M N 0.345 119.986 119.600 0.068 0.000 2.108 277 M HA -0.028 4.455 4.480 0.006 0.000 0.261 277 M C 2.128 178.496 176.300 0.113 0.000 1.066 277 M CA 1.506 56.856 55.300 0.084 0.000 1.107 277 M CB -1.370 31.276 32.600 0.075 0.000 1.356 277 M HN 0.431 nan 8.290 nan 0.000 0.406 278 Y N 0.962 121.257 120.300 -0.009 0.000 2.163 278 Y HA -0.161 4.393 4.550 0.006 0.000 0.288 278 Y C 2.278 178.180 175.900 0.003 0.000 1.136 278 Y CA 1.626 59.721 58.100 -0.008 0.000 1.147 278 Y CB -0.345 38.094 38.460 -0.034 0.000 0.987 278 Y HN 0.069 nan 8.280 nan 0.000 0.509 279 L N -0.474 120.829 121.223 0.133 0.000 2.046 279 L HA -0.220 4.123 4.340 0.006 0.000 0.208 279 L C 1.578 178.499 176.870 0.086 0.000 1.077 279 L CA 1.645 56.525 54.840 0.066 0.000 0.747 279 L CB -0.358 41.701 42.059 0.001 0.000 0.896 279 L HN 0.176 nan 8.230 nan 0.000 0.432 280 D N -1.119 119.341 120.400 0.100 0.000 2.355 280 D HA -0.041 4.603 4.640 0.006 0.000 0.206 280 D C 1.913 178.298 176.300 0.143 0.000 1.010 280 D CA 0.272 54.361 54.000 0.148 0.000 0.875 280 D CB 0.228 41.116 40.800 0.146 0.000 0.966 280 D HN 0.048 nan 8.370 nan 0.000 0.512 281 L N 1.259 122.525 121.223 0.072 0.000 2.093 281 L HA 0.023 4.366 4.340 0.006 0.000 0.208 281 L C -1.049 175.836 176.870 0.025 0.000 1.085 281 L CA 1.881 56.745 54.840 0.040 0.000 0.755 281 L CB -1.230 40.835 42.059 0.011 0.000 0.904 281 L HN -0.071 nan 8.230 nan 0.000 0.435 282 P HA -0.225 nan 4.420 nan 0.000 0.215 282 P C 1.392 178.737 177.300 0.075 0.000 1.157 282 P CA 1.480 64.591 63.100 0.017 0.000 0.863 282 P CB -0.323 31.378 31.700 0.001 0.000 0.787 283 Y N 1.025 121.344 120.300 0.032 0.000 2.165 283 Y HA -0.253 4.300 4.550 0.006 0.000 0.286 283 Y C 2.301 178.217 175.900 0.027 0.000 1.155 283 Y CA 1.674 59.805 58.100 0.052 0.000 1.164 283 Y CB -1.175 37.332 38.460 0.079 0.000 0.978 283 Y HN -0.124 nan 8.280 nan 0.000 0.513 284 A N -0.279 122.515 122.820 -0.043 0.000 1.873 284 A HA -0.242 4.082 4.320 0.006 0.000 0.218 284 A C 2.374 179.851 177.584 -0.179 0.000 1.193 284 A CA 2.721 54.675 52.037 -0.137 0.000 0.629 284 A CB -1.452 17.545 19.000 -0.006 0.000 0.826 284 A HN 0.362 nan 8.150 nan 0.000 0.447 285 V N -0.396 119.460 119.914 -0.096 0.000 2.358 285 V HA -0.180 3.944 4.120 0.006 0.000 0.246 285 V C 3.046 179.091 176.094 -0.083 0.000 1.047 285 V CA 1.810 64.066 62.300 -0.073 0.000 1.035 285 V CB -1.226 30.576 31.823 -0.036 0.000 0.658 285 V HN 0.643 nan 8.190 nan 0.000 0.452 286 A N -0.369 122.397 122.820 -0.089 0.000 1.978 286 A HA -0.213 4.111 4.320 0.006 0.000 0.220 286 A C 2.163 179.699 177.584 -0.080 0.000 1.170 286 A CA 2.097 54.101 52.037 -0.056 0.000 0.636 286 A CB -0.500 18.499 19.000 -0.003 0.000 0.810 286 A HN 0.448 nan 8.150 nan 0.000 0.448 287 L N -0.847 120.233 121.223 -0.239 0.000 2.023 287 L HA -0.032 4.312 4.340 0.006 0.000 0.205 287 L C 2.419 179.263 176.870 -0.043 0.000 1.073 287 L CA 1.826 56.535 54.840 -0.218 0.000 0.745 287 L CB -0.438 41.257 42.059 -0.606 0.000 0.900 287 L HN 0.239 nan 8.230 nan 0.000 0.435 288 R N -0.080 120.363 120.500 -0.095 0.000 2.159 288 R HA -0.148 4.195 4.340 0.006 0.000 0.237 288 R C 2.161 178.481 176.300 0.033 0.000 1.131 288 R CA 1.468 57.554 56.100 -0.024 0.000 0.982 288 R CB -0.311 29.962 30.300 -0.046 0.000 0.868 288 R HN 0.529 nan 8.270 nan 0.000 0.453 289 E N -1.031 119.181 120.200 0.020 0.000 2.086 289 E HA -0.111 4.242 4.350 0.006 0.000 0.190 289 E C 1.720 178.338 176.600 0.030 0.000 0.975 289 E CA 0.993 57.404 56.400 0.019 0.000 0.813 289 E CB -0.038 29.663 29.700 0.002 0.000 0.768 289 E HN 0.123 nan 8.360 nan 0.000 0.457 290 M N -0.110 119.518 119.600 0.047 0.000 2.132 290 M HA -0.056 4.427 4.480 0.006 0.000 0.263 290 M C 0.705 176.948 176.300 -0.096 0.000 1.065 290 M CA 1.573 56.853 55.300 -0.033 0.000 1.122 290 M CB 0.137 32.707 32.600 -0.050 0.000 1.365 290 M HN -0.047 nan 8.290 nan 0.000 0.411 291 F N 0.981 120.926 119.950 -0.009 0.000 2.798 291 F HA 0.250 4.781 4.527 0.006 0.000 0.291 291 F C 0.154 176.052 175.800 0.162 0.000 1.174 291 F CA -0.553 57.492 58.000 0.075 0.000 1.392 291 F CB -0.718 38.247 39.000 -0.058 0.000 0.966 291 F HN 0.036 nan 8.300 nan 0.000 0.509 292 E N 0.630 120.940 120.200 0.182 0.000 2.694 292 E HA 0.169 4.522 4.350 0.006 0.000 0.250 292 E C 1.181 177.837 176.600 0.094 0.000 0.963 292 E CA 1.089 57.551 56.400 0.104 0.000 0.949 292 E CB 0.205 29.927 29.700 0.037 0.000 0.911 292 E HN 0.648 nan 8.360 nan 0.000 0.500 293 G N 2.968 111.793 108.800 0.042 0.000 2.339 293 G HA2 -0.259 3.705 3.960 0.006 0.000 0.209 293 G HA3 -0.259 3.705 3.960 0.006 0.000 0.209 293 G C -0.300 174.527 174.900 -0.122 0.000 1.015 293 G CA -0.481 44.569 45.100 -0.083 0.000 0.635 293 G HN 0.490 nan 8.290 nan 0.000 0.499 294 Y N 1.993 122.321 120.300 0.046 0.000 2.300 294 Y HA 0.687 5.240 4.550 0.006 0.000 0.328 294 Y C 1.292 177.186 175.900 -0.009 0.000 1.270 294 Y CA -0.532 57.597 58.100 0.048 0.000 1.352 294 Y CB 0.506 39.047 38.460 0.136 0.000 1.286 294 Y HN -0.004 nan 8.280 nan 0.000 0.536 295 R N 1.882 122.464 120.500 0.137 0.000 2.490 295 R HA 0.291 4.634 4.340 0.006 0.000 0.278 295 R C -0.705 175.609 176.300 0.022 0.000 1.069 295 R CA -0.390 55.730 56.100 0.034 0.000 1.080 295 R CB 0.648 30.981 30.300 0.055 0.000 1.030 295 R HN 0.610 nan 8.270 nan 0.000 0.491 296 M N 3.139 122.733 119.600 -0.011 0.000 2.080 296 M HA 0.231 4.714 4.480 0.006 0.000 0.350 296 M C 0.440 176.739 176.300 -0.002 0.000 1.143 296 M CA -0.383 54.899 55.300 -0.031 0.000 1.064 296 M CB 0.737 33.308 32.600 -0.048 0.000 1.429 296 M HN 0.149 nan 8.290 nan 0.000 0.418 297 R N 2.991 123.482 120.500 -0.016 0.000 2.296 297 R HA 0.547 4.891 4.340 0.006 0.000 0.327 297 R C -0.679 175.604 176.300 -0.028 0.000 1.137 297 R CA 0.060 56.157 56.100 -0.004 0.000 1.020 297 R CB 0.202 30.481 30.300 -0.035 0.000 1.110 297 R HN 0.775 nan 8.270 nan 0.000 0.499 298 A N 3.370 126.188 122.820 -0.004 0.000 2.366 298 A HA 0.253 4.576 4.320 0.006 0.000 0.249 298 A C -0.272 177.301 177.584 -0.018 0.000 1.084 298 A CA -0.107 51.925 52.037 -0.007 0.000 0.794 298 A CB 0.633 19.640 19.000 0.011 0.000 1.034 298 A HN 0.741 nan 8.150 nan 0.000 0.491 299 Q N 0.408 120.193 119.800 -0.024 0.000 2.443 299 Q HA 0.486 4.830 4.340 0.006 0.000 0.258 299 Q C -1.110 174.877 176.000 -0.022 0.000 0.967 299 Q CA -0.189 55.589 55.803 -0.043 0.000 0.951 299 Q CB 0.755 29.436 28.738 -0.096 0.000 1.459 299 Q HN 0.756 nan 8.270 nan 0.000 0.415 300 M N 1.772 121.334 119.600 -0.063 0.000 2.114 300 M HA 0.384 4.868 4.480 0.006 0.000 0.293 300 M C 0.471 176.780 176.300 0.015 0.000 1.201 300 M CA -0.772 54.488 55.300 -0.066 0.000 1.107 300 M CB 0.179 32.586 32.600 -0.322 0.000 1.405 300 M HN 0.781 nan 8.290 nan 0.000 0.486 301 N N 0.058 118.827 118.700 0.115 0.000 2.416 301 N HA 0.059 4.803 4.740 0.006 0.000 0.246 301 N C 0.228 175.827 175.510 0.149 0.000 1.260 301 N CA 0.727 53.874 53.050 0.161 0.000 0.897 301 N CB 0.675 39.296 38.487 0.223 0.000 1.110 301 N HN 0.748 nan 8.380 nan 0.000 0.439 302 T N -1.274 113.330 114.554 0.084 0.000 3.051 302 T HA 0.122 4.476 4.350 0.006 0.000 0.254 302 T C 1.419 176.105 174.700 -0.024 0.000 0.916 302 T CA -0.380 61.745 62.100 0.041 0.000 0.894 302 T CB -0.226 68.650 68.868 0.013 0.000 1.251 302 T HN 0.418 nan 8.240 nan 0.000 0.517 303 K N 0.583 120.922 120.400 -0.103 0.000 2.057 303 K HA -0.001 4.323 4.320 0.006 0.000 0.206 303 K C 0.286 176.717 176.600 -0.282 0.000 1.050 303 K CA 1.098 57.216 56.287 -0.282 0.000 0.935 303 K CB -0.041 32.143 32.500 -0.527 0.000 0.715 303 K HN 0.406 nan 8.250 nan 0.000 0.439 304 Y N 0.297 120.618 120.300 0.036 0.000 2.746 304 Y HA 0.237 4.790 4.550 0.006 0.000 0.312 304 Y C 0.007 175.907 175.900 0.001 0.000 1.117 304 Y CA -0.542 57.573 58.100 0.025 0.000 1.324 304 Y CB 0.017 38.501 38.460 0.040 0.000 1.173 304 Y HN 0.021 nan 8.280 nan 0.000 0.529 305 M N 0.570 120.224 119.600 0.090 0.000 2.247 305 M HA 0.202 4.685 4.480 0.006 0.000 0.326 305 M C 0.375 176.676 176.300 0.002 0.000 1.134 305 M CA 0.519 55.833 55.300 0.024 0.000 1.136 305 M CB 0.626 33.225 32.600 -0.001 0.000 1.454 305 M HN 0.201 nan 8.290 nan 0.000 0.467 306 E N 0.239 120.418 120.200 -0.036 0.000 2.489 306 E HA 0.580 4.933 4.350 0.006 0.000 0.201 306 E C -0.216 176.331 176.600 -0.088 0.000 0.752 306 E CA -0.090 56.282 56.400 -0.047 0.000 0.948 306 E CB 1.332 31.014 29.700 -0.029 0.000 1.871 306 E HN 0.605 nan 8.360 nan 0.000 0.383 307 A N 0.308 123.076 122.820 -0.087 0.000 2.208 307 A HA 0.037 4.361 4.320 0.006 0.000 0.209 307 A C 0.887 178.390 177.584 -0.135 0.000 1.161 307 A CA 0.623 52.590 52.037 -0.117 0.000 0.782 307 A CB -0.040 18.904 19.000 -0.092 0.000 0.816 307 A HN 0.137 nan 8.150 nan 0.000 0.477 308 S N 0.099 115.730 115.700 -0.115 0.000 2.438 308 S HA 0.309 4.782 4.470 0.006 0.000 0.293 308 S C 1.315 175.830 174.600 -0.143 0.000 1.141 308 S CA 0.206 58.340 58.200 -0.110 0.000 1.080 308 S CB 0.800 63.956 63.200 -0.073 0.000 0.978 308 S HN 0.514 nan 8.310 nan 0.000 0.479 309 T N 3.083 117.539 114.554 -0.163 0.000 2.951 309 T HA -0.047 4.306 4.350 0.006 0.000 0.268 309 T C 1.786 176.417 174.700 -0.114 0.000 1.073 309 T CA 0.545 62.538 62.100 -0.180 0.000 1.134 309 T CB -0.236 68.510 68.868 -0.203 0.000 0.884 309 T HN 0.662 nan 8.240 nan 0.000 0.479 310 R N 1.386 121.839 120.500 -0.077 0.000 2.062 310 R HA -0.107 4.236 4.340 0.006 0.000 0.231 310 R C 2.519 178.773 176.300 -0.077 0.000 1.136 310 R CA 1.802 57.870 56.100 -0.054 0.000 0.948 310 R CB -0.411 29.870 30.300 -0.033 0.000 0.845 310 R HN 0.620 nan 8.270 nan 0.000 0.430 311 E N -0.081 120.068 120.200 -0.085 0.000 2.085 311 E HA -0.221 4.133 4.350 0.006 0.000 0.194 311 E C 1.811 178.318 176.600 -0.155 0.000 0.994 311 E CA 1.402 57.746 56.400 -0.093 0.000 0.801 311 E CB -0.150 29.505 29.700 -0.075 0.000 0.743 311 E HN 0.488 nan 8.360 nan 0.000 0.453 312 A N 0.205 122.894 122.820 -0.217 0.000 1.883 312 A HA -0.209 4.114 4.320 0.006 0.000 0.217 312 A C 2.413 179.629 177.584 -0.614 0.000 1.186 312 A CA 2.207 53.984 52.037 -0.433 0.000 0.624 312 A CB -1.053 17.723 19.000 -0.373 0.000 0.822 312 A HN 0.352 nan 8.150 nan 0.000 0.444 313 T N -0.526 113.858 114.554 -0.282 0.000 2.777 313 T HA -0.095 4.259 4.350 0.006 0.000 0.266 313 T C 1.892 176.558 174.700 -0.056 0.000 1.040 313 T CA 1.506 63.537 62.100 -0.114 0.000 1.141 313 T CB -0.368 68.491 68.868 -0.015 0.000 0.868 313 T HN 0.160 nan 8.240 nan 0.000 0.444 314 V N 1.414 121.288 119.914 -0.066 0.000 2.295 314 V HA -0.191 3.933 4.120 0.006 0.000 0.246 314 V C 2.783 178.869 176.094 -0.012 0.000 1.049 314 V CA 2.007 64.291 62.300 -0.025 0.000 1.024 314 V CB -1.118 30.688 31.823 -0.029 0.000 0.648 314 V HN 0.510 nan 8.190 nan 0.000 0.447 315 T N -1.038 113.486 114.554 -0.050 0.000 2.652 315 T HA -0.247 4.107 4.350 0.006 0.000 0.267 315 T C 1.675 176.438 174.700 0.105 0.000 1.039 315 T CA 2.064 64.166 62.100 0.004 0.000 1.153 315 T CB -0.462 68.396 68.868 -0.016 0.000 0.863 315 T HN 0.664 nan 8.240 nan 0.000 0.428 316 H N -0.153 118.935 119.070 0.031 0.000 2.426 316 H HA -0.055 4.504 4.556 0.006 0.000 0.298 316 H C 2.273 177.623 175.328 0.036 0.000 1.107 316 H CA 0.875 56.944 56.048 0.035 0.000 1.298 316 H CB -0.086 29.695 29.762 0.031 0.000 1.377 316 H HN 0.150 nan 8.280 nan 0.000 0.519 317 V N 0.976 120.978 119.914 0.146 0.000 2.453 317 V HA -0.212 3.911 4.120 0.006 0.000 0.247 317 V C 2.356 178.496 176.094 0.076 0.000 1.048 317 V CA 1.252 63.609 62.300 0.094 0.000 1.049 317 V CB -0.381 31.481 31.823 0.065 0.000 0.672 317 V HN 0.344 nan 8.190 nan 0.000 0.457 318 L N 0.074 121.341 121.223 0.073 0.000 2.017 318 L HA -0.205 4.139 4.340 0.006 0.000 0.208 318 L C 2.266 179.181 176.870 0.076 0.000 1.073 318 L CA 2.104 56.983 54.840 0.064 0.000 0.745 318 L CB -0.945 41.148 42.059 0.056 0.000 0.894 318 L HN 0.410 nan 8.230 nan 0.000 0.432 319 N N 0.106 118.866 118.700 0.099 0.000 2.094 319 N HA -0.218 4.525 4.740 0.006 0.000 0.191 319 N C 1.912 177.463 175.510 0.068 0.000 1.023 319 N CA 1.022 54.127 53.050 0.093 0.000 0.857 319 N CB -0.198 38.353 38.487 0.107 0.000 1.013 319 N HN 0.268 nan 8.380 nan 0.000 0.426 320 L N 0.237 121.499 121.223 0.066 0.000 2.141 320 L HA -0.112 4.232 4.340 0.006 0.000 0.209 320 L C 2.165 179.061 176.870 0.044 0.000 1.094 320 L CA 0.310 55.180 54.840 0.051 0.000 0.763 320 L CB -0.189 41.902 42.059 0.053 0.000 0.908 320 L HN 0.228 nan 8.230 nan 0.000 0.437 321 L N -0.171 121.080 121.223 0.046 0.000 2.046 321 L HA -0.198 4.145 4.340 0.006 0.000 0.208 321 L C 2.337 179.229 176.870 0.035 0.000 1.077 321 L CA 1.698 56.560 54.840 0.038 0.000 0.747 321 L CB -0.414 41.669 42.059 0.039 0.000 0.896 321 L HN 0.088 nan 8.230 nan 0.000 0.432 322 I N -0.919 119.677 120.570 0.043 0.000 2.335 322 I HA -0.241 3.932 4.170 0.006 0.000 0.251 322 I C 2.440 178.573 176.117 0.027 0.000 1.129 322 I CA 1.203 62.527 61.300 0.040 0.000 1.402 322 I CB -1.508 36.527 38.000 0.057 0.000 1.069 322 I HN 0.252 nan 8.210 nan 0.000 0.424 323 S N 0.547 116.264 115.700 0.028 0.000 2.371 323 S HA -0.168 4.306 4.470 0.006 0.000 0.224 323 S C 1.992 176.600 174.600 0.014 0.000 1.029 323 S CA 1.139 59.350 58.200 0.018 0.000 0.978 323 S CB -0.100 63.115 63.200 0.024 0.000 0.833 323 S HN 0.275 nan 8.310 nan 0.000 0.466 324 K N 1.590 122.001 120.400 0.018 0.000 2.148 324 K HA 0.130 4.453 4.320 0.006 0.000 0.204 324 K C 1.672 178.278 176.600 0.009 0.000 1.050 324 K CA 0.915 57.210 56.287 0.014 0.000 0.942 324 K CB -0.386 32.125 32.500 0.018 0.000 0.724 324 K HN 0.286 nan 8.250 nan 0.000 0.446 325 L N 0.084 121.313 121.223 0.010 0.000 2.376 325 L HA -0.065 4.278 4.340 0.006 0.000 0.219 325 L C 1.711 178.580 176.870 -0.001 0.000 1.133 325 L CA 1.298 56.142 54.840 0.006 0.000 0.816 325 L CB -0.523 41.543 42.059 0.010 0.000 0.933 325 L HN 0.467 nan 8.230 nan 0.000 0.449 326 T N -3.269 111.283 114.554 -0.004 0.000 2.964 326 T HA 0.271 4.625 4.350 0.006 0.000 0.161 326 T C 0.332 175.021 174.700 -0.018 0.000 0.859 326 T CA -0.519 61.572 62.100 -0.015 0.000 1.015 326 T CB 0.916 69.770 68.868 -0.023 0.000 2.138 326 T HN 0.060 nan 8.240 nan 0.000 0.367 327 R N 0.178 120.665 120.500 -0.022 0.000 2.634 327 R HA 0.645 4.988 4.340 0.006 0.000 0.263 327 R C -2.353 173.936 176.300 -0.019 0.000 1.060 327 R CA -0.441 55.645 56.100 -0.022 0.000 0.898 327 R CB 1.786 32.066 30.300 -0.033 0.000 1.253 327 R HN 0.874 nan 8.270 nan 0.000 0.461 328 A N 2.548 125.363 122.820 -0.008 0.000 2.381 328 A HA 0.359 4.683 4.320 0.006 0.000 0.299 328 A C -0.591 177.003 177.584 0.017 0.000 1.049 328 A CA -0.693 51.348 52.037 0.007 0.000 0.715 328 A CB 1.586 20.601 19.000 0.025 0.000 1.222 328 A HN 0.882 nan 8.150 nan 0.000 0.428 329 D N 1.232 121.648 120.400 0.027 0.000 2.277 329 D HA 0.150 4.794 4.640 0.006 0.000 0.209 329 D C 0.046 176.501 176.300 0.259 0.000 0.970 329 D CA 1.335 55.365 54.000 0.050 0.000 0.874 329 D CB 0.524 41.278 40.800 -0.078 0.000 0.982 329 D HN 0.548 nan 8.370 nan 0.000 0.504 330 I N 1.188 121.882 120.570 0.208 0.000 2.478 330 I HA 0.137 4.310 4.170 0.006 0.000 0.287 330 I C -0.810 175.385 176.117 0.130 0.000 1.042 330 I CA -0.737 60.697 61.300 0.224 0.000 1.067 330 I CB 2.414 40.543 38.000 0.214 0.000 1.233 330 I HN -0.300 nan 8.210 nan 0.000 0.431 331 Q N 4.752 124.625 119.800 0.122 0.000 2.400 331 Q HA 0.413 4.757 4.340 0.006 0.000 0.255 331 Q C -0.976 175.073 176.000 0.081 0.000 1.008 331 Q CA -0.176 55.673 55.803 0.077 0.000 0.841 331 Q CB 1.431 30.206 28.738 0.061 0.000 1.220 331 Q HN 0.658 nan 8.270 nan 0.000 0.474 332 S N 2.050 117.782 115.700 0.054 0.000 2.617 332 S HA 0.606 5.080 4.470 0.006 0.000 0.269 332 S C -0.172 174.414 174.600 -0.022 0.000 1.292 332 S CA -0.263 57.954 58.200 0.027 0.000 1.010 332 S CB 0.931 64.129 63.200 -0.002 0.000 0.944 332 S HN 0.785 nan 8.310 nan 0.000 0.536 333 T N -0.715 113.815 114.554 -0.039 0.000 2.942 333 T HA 0.750 5.104 4.350 0.006 0.000 0.289 333 T C -0.714 173.917 174.700 -0.115 0.000 1.044 333 T CA -0.778 61.268 62.100 -0.091 0.000 1.023 333 T CB 0.681 69.524 68.868 -0.043 0.000 1.123 333 T HN 0.251 nan 8.240 nan 0.000 0.512 334 I N 1.879 122.320 120.570 -0.215 0.000 2.740 334 I HA 0.463 4.637 4.170 0.006 0.000 0.303 334 I C 0.845 176.953 176.117 -0.015 0.000 1.044 334 I CA -0.696 60.523 61.300 -0.135 0.000 1.064 334 I CB 2.048 39.938 38.000 -0.183 0.000 1.249 334 I HN 1.091 nan 8.210 nan 0.000 0.433 335 T N 1.648 116.231 114.554 0.047 0.000 2.889 335 T HA 0.393 4.746 4.350 0.006 0.000 0.291 335 T C -2.098 172.640 174.700 0.064 0.000 0.995 335 T CA -1.616 60.528 62.100 0.073 0.000 1.092 335 T CB 1.477 70.375 68.868 0.051 0.000 0.954 335 T HN 0.313 nan 8.240 nan 0.000 0.506 336 P HA -0.041 nan 4.420 nan 0.000 0.222 336 P C 0.896 177.986 177.300 -0.351 0.000 1.147 336 P CA 0.835 63.863 63.100 -0.119 0.000 0.790 336 P CB -0.007 31.641 31.700 -0.086 0.000 0.780 337 D N -1.386 118.682 120.400 -0.555 0.000 2.340 337 D HA -0.076 4.568 4.640 0.006 0.000 0.220 337 D C 1.525 177.600 176.300 -0.374 0.000 1.039 337 D CA 0.129 53.720 54.000 -0.683 0.000 0.866 337 D CB -0.769 39.340 40.800 -1.151 0.000 0.913 337 D HN 0.078 nan 8.370 nan 0.000 0.523 338 E N 0.972 121.043 120.200 -0.215 0.000 2.114 338 E HA -0.159 4.195 4.350 0.006 0.000 0.199 338 E C 1.723 178.246 176.600 -0.128 0.000 1.008 338 E CA 1.604 57.929 56.400 -0.125 0.000 0.810 338 E CB -0.341 29.336 29.700 -0.038 0.000 0.739 338 E HN 0.504 nan 8.360 nan 0.000 0.456 339 G N -0.322 108.398 108.800 -0.134 0.000 3.088 339 G HA2 -0.074 3.889 3.960 0.006 0.000 0.212 339 G HA3 -0.074 3.889 3.960 0.006 0.000 0.212 339 G C 1.439 176.258 174.900 -0.135 0.000 1.173 339 G CA -0.116 44.918 45.100 -0.111 0.000 0.779 339 G HN 0.085 nan 8.290 nan 0.000 0.540 340 R N -0.010 120.373 120.500 -0.196 0.000 2.257 340 R HA 0.164 4.507 4.340 0.006 0.000 0.195 340 R C 0.455 176.637 176.300 -0.197 0.000 0.921 340 R CA 0.635 56.607 56.100 -0.213 0.000 1.069 340 R CB 0.277 30.391 30.300 -0.311 0.000 1.115 340 R HN 0.531 nan 8.270 nan 0.000 0.571 341 N N -1.713 116.854 118.700 -0.221 0.000 3.413 341 N HA 0.017 4.760 4.740 0.006 0.000 0.273 341 N C -1.028 174.392 175.510 -0.151 0.000 1.458 341 N CA -0.710 52.240 53.050 -0.166 0.000 0.860 341 N CB 1.342 39.717 38.487 -0.188 0.000 1.556 341 N HN -0.194 nan 8.380 nan 0.000 0.475 342 V N -0.674 119.207 119.914 -0.056 0.000 2.811 342 V HA 0.319 4.443 4.120 0.006 0.000 0.302 342 V C -2.202 173.889 176.094 -0.005 0.000 1.063 342 V CA -1.071 61.213 62.300 -0.027 0.000 1.088 342 V CB 0.030 31.850 31.823 -0.005 0.000 0.982 342 V HN 0.561 nan 8.190 nan 0.000 0.485 343 P HA 0.083 nan 4.420 nan 0.000 0.267 343 P C -0.843 176.589 177.300 0.220 0.000 1.205 343 P CA 0.067 63.194 63.100 0.044 0.000 0.765 343 P CB 0.258 31.976 31.700 0.029 0.000 0.828 344 W N 2.687 124.006 121.300 0.033 0.000 2.436 344 W HA 0.221 4.885 4.660 0.005 0.000 0.347 344 W C 1.996 178.465 176.519 -0.083 0.000 1.136 344 W CA -0.405 56.908 57.345 -0.054 0.000 1.286 344 W CB -0.593 28.914 29.460 0.078 0.000 1.253 344 W HN 0.557 nan 8.180 nan 0.000 0.617 345 H N 1.406 120.573 119.070 0.161 0.000 2.319 345 H HA -0.195 4.364 4.556 0.006 0.000 0.297 345 H C 1.872 177.200 175.328 -0.000 0.000 1.097 345 H CA 2.670 58.746 56.048 0.047 0.000 1.285 345 H CB -0.385 29.364 29.762 -0.021 0.000 1.368 345 H HN 0.447 nan 8.280 nan 0.000 0.495 346 I N -1.375 119.236 120.570 0.069 0.000 2.361 346 I HA -0.230 3.944 4.170 0.006 0.000 0.251 346 I C 1.809 177.790 176.117 -0.226 0.000 1.133 346 I CA 1.511 62.712 61.300 -0.163 0.000 1.413 346 I CB -0.658 37.147 38.000 -0.324 0.000 1.073 346 I HN -0.046 nan 8.210 nan 0.000 0.424 347 Y N 1.628 121.983 120.300 0.092 0.000 2.420 347 Y HA 0.029 4.582 4.550 0.006 0.000 0.292 347 Y C 2.232 178.141 175.900 0.014 0.000 1.119 347 Y CA 0.916 59.031 58.100 0.025 0.000 1.229 347 Y CB -0.876 37.564 38.460 -0.034 0.000 1.026 347 Y HN 0.217 nan 8.280 nan 0.000 0.554 348 N N 0.019 118.801 118.700 0.136 0.000 2.188 348 N HA -0.144 4.600 4.740 0.006 0.000 0.184 348 N C 1.397 176.923 175.510 0.027 0.000 1.018 348 N CA 1.228 54.324 53.050 0.078 0.000 0.858 348 N CB -0.288 38.241 38.487 0.069 0.000 0.989 348 N HN 0.125 nan 8.380 nan 0.000 0.426 349 I N 1.227 121.771 120.570 -0.044 0.000 2.493 349 I HA -0.143 4.030 4.170 0.006 0.000 0.254 349 I C 1.999 178.050 176.117 -0.109 0.000 1.160 349 I CA 1.085 62.265 61.300 -0.200 0.000 1.445 349 I CB -0.281 37.450 38.000 -0.449 0.000 1.086 349 I HN 0.196 nan 8.210 nan 0.000 0.433 350 E N 0.289 120.484 120.200 -0.008 0.000 2.072 350 E HA -0.171 4.182 4.350 0.006 0.000 0.190 350 E C 2.377 179.034 176.600 0.096 0.000 0.982 350 E CA 1.120 57.561 56.400 0.068 0.000 0.803 350 E CB -0.176 29.620 29.700 0.160 0.000 0.755 350 E HN 0.493 nan 8.360 nan 0.000 0.453 351 A N 1.070 123.951 122.820 0.102 0.000 1.873 351 A HA -0.244 4.080 4.320 0.006 0.000 0.218 351 A C 2.524 180.152 177.584 0.074 0.000 1.193 351 A CA 1.669 53.760 52.037 0.089 0.000 0.629 351 A CB -1.053 17.987 19.000 0.066 0.000 0.826 351 A HN 0.382 nan 8.150 nan 0.000 0.447 352 C N -0.718 118.623 119.300 0.068 0.000 2.432 352 C HA -0.083 4.380 4.460 0.006 0.000 0.277 352 C C 2.437 177.494 174.990 0.111 0.000 1.249 352 C CA 0.954 60.025 59.018 0.088 0.000 1.725 352 C CB -1.335 26.471 27.740 0.110 0.000 2.028 352 C HN 0.607 nan 8.230 nan 0.000 0.477 353 D N 0.612 121.085 120.400 0.123 0.000 2.104 353 D HA -0.114 4.530 4.640 0.006 0.000 0.194 353 D C 2.229 178.596 176.300 0.112 0.000 0.994 353 D CA 1.798 55.887 54.000 0.149 0.000 0.830 353 D CB -0.713 40.180 40.800 0.155 0.000 0.959 353 D HN 0.409 nan 8.370 nan 0.000 0.452 354 T N 0.669 115.284 114.554 0.101 0.000 2.652 354 T HA -0.163 4.190 4.350 0.006 0.000 0.267 354 T C 1.977 176.727 174.700 0.083 0.000 1.039 354 T CA 1.839 63.997 62.100 0.096 0.000 1.153 354 T CB -0.417 68.518 68.868 0.112 0.000 0.863 354 T HN 0.217 nan 8.240 nan 0.000 0.428 355 A N 2.313 125.179 122.820 0.077 0.000 1.908 355 A HA -0.202 4.122 4.320 0.006 0.000 0.218 355 A C 2.190 179.808 177.584 0.057 0.000 1.181 355 A CA 2.246 54.320 52.037 0.062 0.000 0.627 355 A CB -0.537 18.495 19.000 0.052 0.000 0.818 355 A HN 0.747 nan 8.150 nan 0.000 0.445 356 K N -0.708 119.730 120.400 0.062 0.000 2.062 356 K HA -0.120 4.204 4.320 0.006 0.000 0.205 356 K C 2.177 178.803 176.600 0.043 0.000 1.051 356 K CA 1.252 57.567 56.287 0.047 0.000 0.941 356 K CB -0.418 32.108 32.500 0.045 0.000 0.719 356 K HN 0.515 nan 8.250 nan 0.000 0.440 357 Q N 0.942 120.777 119.800 0.059 0.000 1.985 357 Q HA -0.236 4.108 4.340 0.006 0.000 0.207 357 Q C 2.282 178.310 176.000 0.046 0.000 0.996 357 Q CA 2.198 58.036 55.803 0.058 0.000 0.851 357 Q CB -0.376 28.407 28.738 0.074 0.000 0.921 357 Q HN 0.498 nan 8.270 nan 0.000 0.418 358 A N 0.773 123.624 122.820 0.051 0.000 1.859 358 A HA -0.231 4.092 4.320 0.006 0.000 0.217 358 A C 2.118 179.723 177.584 0.035 0.000 1.198 358 A CA 1.799 53.863 52.037 0.044 0.000 0.629 358 A CB -1.038 17.994 19.000 0.053 0.000 0.830 358 A HN 0.467 nan 8.150 nan 0.000 0.446 359 L N -0.463 120.781 121.223 0.035 0.000 2.017 359 L HA -0.188 4.155 4.340 0.006 0.000 0.208 359 L C 2.477 179.363 176.870 0.027 0.000 1.073 359 L CA 0.908 55.766 54.840 0.030 0.000 0.745 359 L CB -0.572 41.505 42.059 0.030 0.000 0.894 359 L HN 0.336 nan 8.230 nan 0.000 0.432 360 I N 0.392 120.976 120.570 0.024 0.000 2.264 360 I HA -0.203 3.971 4.170 0.006 0.000 0.248 360 I C 2.668 178.807 176.117 0.036 0.000 1.111 360 I CA 1.704 63.025 61.300 0.034 0.000 1.382 360 I CB -1.895 36.109 38.000 0.006 0.000 1.060 360 I HN 0.277 nan 8.210 nan 0.000 0.418 361 G N 0.625 109.433 108.800 0.013 0.000 2.442 361 G HA2 -0.238 3.725 3.960 0.006 0.000 0.219 361 G HA3 -0.238 3.725 3.960 0.006 0.000 0.219 361 G C 1.551 176.445 174.900 -0.011 0.000 1.141 361 G CA 0.371 45.464 45.100 -0.011 0.000 0.763 361 G HN 0.349 nan 8.290 nan 0.000 0.554 362 M N 0.725 120.329 119.600 0.007 0.000 2.505 362 M HA 0.170 4.654 4.480 0.006 0.000 0.230 362 M C 0.054 176.361 176.300 0.012 0.000 1.153 362 M CA -0.309 54.995 55.300 0.007 0.000 0.997 362 M CB 0.109 32.717 32.600 0.014 0.000 1.606 362 M HN 0.015 nan 8.290 nan 0.000 0.481 363 D N 0.982 121.397 120.400 0.025 0.000 2.531 363 D HA 0.108 4.752 4.640 0.006 0.000 0.239 363 D C 1.320 177.629 176.300 0.015 0.000 1.144 363 D CA 1.996 56.023 54.000 0.046 0.000 0.869 363 D CB 0.455 41.324 40.800 0.116 0.000 1.160 363 D HN 0.511 nan 8.370 nan 0.000 0.484 364 G N 3.013 111.825 108.800 0.019 0.000 2.175 364 G HA2 -0.366 3.597 3.960 0.006 0.000 0.265 364 G HA3 -0.366 3.597 3.960 0.006 0.000 0.265 364 G C 1.074 175.973 174.900 -0.002 0.000 0.979 364 G CA 0.594 45.698 45.100 0.006 0.000 0.663 364 G HN 0.590 nan 8.290 nan 0.000 0.533 365 L N -0.063 121.159 121.223 -0.001 0.000 2.137 365 L HA -0.005 4.338 4.340 0.006 0.000 0.213 365 L C 2.475 179.344 176.870 -0.002 0.000 1.085 365 L CA 2.731 57.569 54.840 -0.003 0.000 0.760 365 L CB -0.232 41.828 42.059 0.001 0.000 0.893 365 L HN 0.385 nan 8.230 nan 0.000 0.434 366 M N -1.269 118.331 119.600 0.000 0.000 2.563 366 M HA 0.056 4.540 4.480 0.006 0.000 0.231 366 M C 0.802 177.100 176.300 -0.002 0.000 1.136 366 M CA 0.334 55.634 55.300 -0.001 0.000 1.026 366 M CB -0.811 31.789 32.600 -0.001 0.000 1.597 366 M HN 0.164 nan 8.290 nan 0.000 0.495 367 D N 0.382 120.780 120.400 -0.003 0.000 2.323 367 D HA 0.068 4.712 4.640 0.006 0.000 0.209 367 D C 1.665 177.962 176.300 -0.005 0.000 0.973 367 D CA 0.889 54.886 54.000 -0.004 0.000 0.874 367 D CB 0.259 41.056 40.800 -0.005 0.000 0.930 367 D HN 0.364 nan 8.370 nan 0.000 0.521 368 M N -0.586 119.011 119.600 -0.005 0.000 2.279 368 M HA 0.168 4.652 4.480 0.006 0.000 0.299 368 M C -0.398 175.900 176.300 -0.003 0.000 0.970 368 M CA 0.145 55.442 55.300 -0.005 0.000 1.065 368 M CB 2.385 34.980 32.600 -0.008 0.000 1.669 368 M HN -0.318 nan 8.290 nan 0.000 0.582 369 V N 1.703 121.616 119.914 -0.002 0.000 2.709 369 V HA 0.443 4.566 4.120 0.006 0.000 0.308 369 V C -0.954 175.140 176.094 0.001 0.000 1.062 369 V CA -0.646 61.655 62.300 0.001 0.000 0.901 369 V CB 2.189 34.014 31.823 0.002 0.000 1.003 369 V HN 0.372 nan 8.190 nan 0.000 0.425 370 Q N 4.058 123.859 119.800 0.002 0.000 2.456 370 Q HA 0.746 5.090 4.340 0.006 0.000 0.284 370 Q C -1.655 174.347 176.000 0.003 0.000 1.061 370 Q CA -1.050 54.754 55.803 0.001 0.000 0.799 370 Q CB 2.487 31.225 28.738 0.000 0.000 1.445 370 Q HN 0.561 nan 8.270 nan 0.000 0.411 371 L N 1.648 122.871 121.223 0.001 0.000 2.380 371 L HA 0.285 4.629 4.340 0.006 0.000 0.273 371 L C 0.074 176.945 176.870 0.001 0.000 1.138 371 L CA -0.443 54.398 54.840 0.001 0.000 0.832 371 L CB 0.357 42.413 42.059 -0.004 0.000 1.124 371 L HN 0.583 nan 8.230 nan 0.000 0.454 372 K N 3.083 123.485 120.400 0.004 0.000 2.121 372 K HA 0.008 4.331 4.320 0.006 0.000 0.235 372 K C 0.862 177.462 176.600 0.000 0.000 1.200 372 K CA -0.257 56.033 56.287 0.005 0.000 1.115 372 K CB 0.283 32.791 32.500 0.012 0.000 1.474 372 K HN 0.341 nan 8.250 nan 0.000 0.295 373 R N 2.042 122.542 120.500 -0.001 0.000 2.081 373 R HA -0.129 4.215 4.340 0.006 0.000 0.235 373 R C 0.901 177.201 176.300 -0.001 0.000 1.131 373 R CA 1.860 57.958 56.100 -0.003 0.000 0.960 373 R CB -0.463 29.835 30.300 -0.003 0.000 0.856 373 R HN 0.603 nan 8.270 nan 0.000 0.436 374 E N -0.479 119.723 120.200 0.002 0.000 2.397 374 E HA 0.459 4.812 4.350 0.006 0.000 0.254 374 E C 0.815 177.419 176.600 0.007 0.000 1.231 374 E CA -0.064 56.340 56.400 0.005 0.000 0.954 374 E CB -0.724 28.980 29.700 0.007 0.000 1.024 374 E HN 0.696 nan 8.360 nan 0.000 0.481 375 G N -1.545 107.261 108.800 0.010 0.000 2.725 375 G HA2 -0.097 3.866 3.960 0.006 0.000 0.220 375 G HA3 -0.097 3.866 3.960 0.006 0.000 0.220 375 G C 1.165 176.071 174.900 0.009 0.000 1.357 375 G CA 0.645 45.754 45.100 0.015 0.000 0.866 375 G HN 1.741 nan 8.290 nan 0.000 0.548 376 V N -0.004 119.919 119.914 0.015 0.000 2.439 376 V HA -0.165 3.958 4.120 0.006 0.000 0.253 376 V C 2.856 178.923 176.094 -0.046 0.000 1.074 376 V CA 3.291 65.592 62.300 0.002 0.000 1.076 376 V CB -0.535 31.308 31.823 0.033 0.000 0.664 376 V HN 1.030 nan 8.190 nan 0.000 0.461 377 L N 0.943 122.133 121.223 -0.055 0.000 1.976 377 L HA 0.009 4.352 4.340 0.006 0.000 0.209 377 L C 2.489 179.342 176.870 -0.029 0.000 1.071 377 L CA 2.670 57.471 54.840 -0.065 0.000 0.746 377 L CB -1.460 40.569 42.059 -0.049 0.000 0.890 377 L HN 0.317 nan 8.230 nan 0.000 0.432 378 G N -1.358 107.435 108.800 -0.012 0.000 2.450 378 G HA2 -0.289 3.675 3.960 0.006 0.000 0.220 378 G HA3 -0.289 3.675 3.960 0.006 0.000 0.220 378 G C 1.217 176.123 174.900 0.010 0.000 1.130 378 G CA 1.008 46.109 45.100 0.001 0.000 0.760 378 G HN 0.447 nan 8.290 nan 0.000 0.557 379 D N 0.359 120.765 120.400 0.010 0.000 2.077 379 D HA -0.057 4.586 4.640 0.006 0.000 0.196 379 D C 2.781 179.101 176.300 0.034 0.000 0.986 379 D CA 1.558 55.571 54.000 0.023 0.000 0.829 379 D CB -0.853 39.962 40.800 0.026 0.000 0.983 379 D HN 0.205 nan 8.370 nan 0.000 0.453 380 T N 0.611 115.180 114.554 0.024 0.000 2.833 380 T HA -0.085 4.268 4.350 0.006 0.000 0.269 380 T C 2.155 176.895 174.700 0.066 0.000 1.054 380 T CA 0.441 62.569 62.100 0.046 0.000 1.135 380 T CB -0.260 68.609 68.868 0.003 0.000 0.869 380 T HN -0.046 nan 8.240 nan 0.000 0.466 381 V N 1.418 121.356 119.914 0.041 0.000 2.358 381 V HA -0.122 4.002 4.120 0.006 0.000 0.246 381 V C 2.663 178.792 176.094 0.058 0.000 1.047 381 V CA 1.704 64.032 62.300 0.048 0.000 1.035 381 V CB -0.420 31.415 31.823 0.020 0.000 0.658 381 V HN 0.290 nan 8.190 nan 0.000 0.452 382 R N 0.746 121.274 120.500 0.047 0.000 2.092 382 R HA -0.181 4.162 4.340 0.006 0.000 0.231 382 R C 2.184 178.521 176.300 0.061 0.000 1.119 382 R CA 2.140 58.268 56.100 0.046 0.000 0.970 382 R CB -0.523 29.798 30.300 0.035 0.000 0.864 382 R HN 0.666 nan 8.270 nan 0.000 0.440 383 E N 0.052 120.296 120.200 0.074 0.000 2.110 383 E HA -0.182 4.171 4.350 0.006 0.000 0.193 383 E C 1.777 178.441 176.600 0.107 0.000 0.988 383 E CA 1.348 57.800 56.400 0.086 0.000 0.804 383 E CB -0.120 29.643 29.700 0.106 0.000 0.745 383 E HN 0.452 nan 8.360 nan 0.000 0.458 384 L N 0.421 121.726 121.223 0.137 0.000 2.056 384 L HA -0.158 4.186 4.340 0.006 0.000 0.207 384 L C 2.564 179.522 176.870 0.147 0.000 1.078 384 L CA 1.337 56.283 54.840 0.177 0.000 0.749 384 L CB -0.262 41.935 42.059 0.231 0.000 0.901 384 L HN 0.087 nan 8.230 nan 0.000 0.433 385 K N 0.149 120.615 120.400 0.110 0.000 2.001 385 K HA -0.178 4.146 4.320 0.006 0.000 0.208 385 K C 1.955 178.605 176.600 0.084 0.000 1.048 385 K CA 1.480 57.820 56.287 0.088 0.000 0.932 385 K CB -0.209 32.325 32.500 0.057 0.000 0.715 385 K HN 0.296 nan 8.250 nan 0.000 0.437 386 E N 0.720 120.964 120.200 0.074 0.000 2.130 386 E HA -0.213 4.140 4.350 0.006 0.000 0.196 386 E C 2.143 178.800 176.600 0.095 0.000 0.998 386 E CA 1.163 57.605 56.400 0.070 0.000 0.806 386 E CB -0.073 29.659 29.700 0.053 0.000 0.738 386 E HN 0.217 nan 8.360 nan 0.000 0.459 387 R N 0.108 120.672 120.500 0.106 0.000 2.115 387 R HA -0.053 4.291 4.340 0.006 0.000 0.230 387 R C 2.279 178.709 176.300 0.216 0.000 1.111 387 R CA 0.936 57.128 56.100 0.153 0.000 0.976 387 R CB -0.118 30.233 30.300 0.085 0.000 0.870 387 R HN 0.116 nan 8.270 nan 0.000 0.445 388 A N 0.412 123.322 122.820 0.151 0.000 1.872 388 A HA -0.081 4.242 4.320 0.006 0.000 0.214 388 A C 2.262 179.920 177.584 0.123 0.000 1.187 388 A CA 1.072 53.180 52.037 0.118 0.000 0.614 388 A CB -0.525 18.541 19.000 0.110 0.000 0.826 388 A HN 0.094 nan 8.150 nan 0.000 0.442 389 V N 0.461 120.439 119.914 0.107 0.000 2.282 389 V HA -0.316 3.808 4.120 0.006 0.000 0.249 389 V C 2.578 178.744 176.094 0.121 0.000 1.057 389 V CA 2.136 64.493 62.300 0.094 0.000 1.032 389 V CB -0.886 30.977 31.823 0.068 0.000 0.645 389 V HN 0.573 nan 8.190 nan 0.000 0.447 390 L N -1.526 119.794 121.223 0.161 0.000 2.079 390 L HA -0.225 4.118 4.340 0.006 0.000 0.210 390 L C 2.321 179.321 176.870 0.216 0.000 1.081 390 L CA 1.882 56.852 54.840 0.216 0.000 0.752 390 L CB -0.549 41.682 42.059 0.288 0.000 0.896 390 L HN 0.333 nan 8.230 nan 0.000 0.433 391 F N 0.028 119.898 119.950 -0.133 0.000 2.084 391 F HA -0.246 4.284 4.527 0.006 0.000 0.296 391 F C 2.567 178.234 175.800 -0.221 0.000 1.111 391 F CA 1.521 59.126 58.000 -0.659 0.000 1.224 391 F CB -0.006 38.513 39.000 -0.802 0.000 0.991 391 F HN -0.085 nan 8.300 nan 0.000 0.471 392 M N -0.156 119.576 119.600 0.221 0.000 2.175 392 M HA -0.217 4.267 4.480 0.006 0.000 0.264 392 M C 2.015 178.392 176.300 0.129 0.000 1.063 392 M CA 1.646 57.065 55.300 0.197 0.000 1.119 392 M CB -0.425 32.266 32.600 0.150 0.000 1.377 392 M HN 0.168 nan 8.290 nan 0.000 0.415 393 E N 0.001 120.261 120.200 0.099 0.000 2.118 393 E HA -0.265 4.089 4.350 0.006 0.000 0.195 393 E C 1.862 178.509 176.600 0.078 0.000 0.992 393 E CA 1.391 57.838 56.400 0.079 0.000 0.804 393 E CB -0.073 29.669 29.700 0.070 0.000 0.741 393 E HN 0.524 nan 8.360 nan 0.000 0.458 394 E N 0.616 120.860 120.200 0.072 0.000 2.107 394 E HA -0.155 4.199 4.350 0.006 0.000 0.191 394 E C 2.072 178.807 176.600 0.226 0.000 0.982 394 E CA 0.510 56.968 56.400 0.095 0.000 0.809 394 E CB 0.027 29.718 29.700 -0.015 0.000 0.756 394 E HN 0.199 nan 8.360 nan 0.000 0.459 395 I N 1.050 121.773 120.570 0.255 0.000 2.127 395 I HA -0.330 3.844 4.170 0.006 0.000 0.241 395 I C 2.435 178.606 176.117 0.090 0.000 1.075 395 I CA 1.191 62.626 61.300 0.225 0.000 1.334 395 I CB -0.288 37.871 38.000 0.264 0.000 1.040 395 I HN 0.215 nan 8.210 nan 0.000 0.405 396 I N 0.517 121.143 120.570 0.093 0.000 2.118 396 I HA -0.366 3.807 4.170 0.006 0.000 0.241 396 I C 2.678 178.819 176.117 0.039 0.000 1.070 396 I CA 1.890 63.224 61.300 0.056 0.000 1.327 396 I CB -0.467 37.566 38.000 0.056 0.000 1.034 396 I HN 0.340 nan 8.210 nan 0.000 0.405 397 E N 1.174 121.406 120.200 0.053 0.000 2.118 397 E HA -0.235 4.119 4.350 0.006 0.000 0.195 397 E C 1.969 178.586 176.600 0.027 0.000 0.992 397 E CA 1.301 57.726 56.400 0.041 0.000 0.804 397 E CB -0.034 29.696 29.700 0.051 0.000 0.741 397 E HN 0.513 nan 8.360 nan 0.000 0.458 398 A N -0.217 122.618 122.820 0.024 0.000 2.238 398 A HA 0.270 4.594 4.320 0.006 0.000 0.208 398 A C 1.500 179.042 177.584 -0.070 0.000 1.177 398 A CA 0.826 52.842 52.037 -0.035 0.000 0.804 398 A CB -0.232 18.700 19.000 -0.113 0.000 0.823 398 A HN 0.482 nan 8.150 nan 0.000 0.482 399 G N -2.661 106.117 108.800 -0.037 0.000 2.138 399 G HA2 0.346 4.309 3.960 0.006 0.000 0.193 399 G HA3 0.346 4.309 3.960 0.006 0.000 0.193 399 G C 1.142 176.025 174.900 -0.028 0.000 0.998 399 G CA 0.263 45.346 45.100 -0.028 0.000 0.668 399 G HN 2.397 nan 8.290 nan 0.000 0.516 400 G N -1.856 106.924 108.800 -0.033 0.000 2.631 400 G HA2 0.149 4.112 3.960 0.006 0.000 0.504 400 G HA3 0.149 4.112 3.960 0.006 0.000 0.504 400 G C 0.291 175.164 174.900 -0.044 0.000 1.306 400 G CA 0.408 45.495 45.100 -0.021 0.000 0.897 400 G HN 1.457 nan 8.290 nan 0.000 0.520 401 Y N 0.353 120.524 120.300 -0.215 0.000 2.030 401 Y HA -0.078 4.476 4.550 0.006 0.000 0.274 401 Y C 2.887 178.674 175.900 -0.188 0.000 1.153 401 Y CA 3.273 61.219 58.100 -0.257 0.000 1.115 401 Y CB -0.648 37.486 38.460 -0.543 0.000 0.969 401 Y HN 0.486 nan 8.280 nan 0.000 0.488 402 F N 0.607 120.429 119.950 -0.213 0.000 2.091 402 F HA -0.300 4.231 4.527 0.006 0.000 0.299 402 F C 2.315 177.956 175.800 -0.265 0.000 1.103 402 F CA 1.767 59.602 58.000 -0.275 0.000 1.228 402 F CB -1.366 37.555 39.000 -0.132 0.000 0.984 402 F HN 0.154 nan 8.300 nan 0.000 0.477 403 N N 0.323 118.998 118.700 -0.041 0.000 2.058 403 N HA -0.147 4.597 4.740 0.006 0.000 0.191 403 N C 2.106 177.414 175.510 -0.336 0.000 1.037 403 N CA 1.588 54.548 53.050 -0.149 0.000 0.848 403 N CB -0.987 37.420 38.487 -0.135 0.000 1.021 403 N HN 0.251 nan 8.380 nan 0.000 0.422 404 A N 0.708 123.236 122.820 -0.486 0.000 1.986 404 A HA -0.131 4.193 4.320 0.006 0.000 0.220 404 A C 2.468 179.764 177.584 -0.479 0.000 1.171 404 A CA 1.585 53.066 52.037 -0.928 0.000 0.640 404 A CB -0.741 17.848 19.000 -0.686 0.000 0.811 404 A HN 0.144 nan 8.150 nan 0.000 0.451 405 V N -0.619 119.161 119.914 -0.224 0.000 2.323 405 V HA -0.214 3.909 4.120 0.006 0.000 0.244 405 V C 2.400 178.458 176.094 -0.060 0.000 1.041 405 V CA 2.063 64.332 62.300 -0.051 0.000 1.025 405 V CB -0.760 30.941 31.823 -0.203 0.000 0.656 405 V HN 0.656 nan 8.190 nan 0.000 0.451 406 E N -0.087 120.052 120.200 -0.102 0.000 2.077 406 E HA -0.250 4.103 4.350 0.006 0.000 0.193 406 E C 2.290 178.846 176.600 -0.073 0.000 0.989 406 E CA 1.182 57.538 56.400 -0.075 0.000 0.800 406 E CB -0.061 29.594 29.700 -0.075 0.000 0.746 406 E HN 0.638 nan 8.360 nan 0.000 0.452 407 Q N -1.202 118.513 119.800 -0.141 0.000 2.500 407 Q HA -0.036 4.308 4.340 0.006 0.000 0.213 407 Q C 0.929 176.951 176.000 0.037 0.000 0.974 407 Q CA 0.636 56.382 55.803 -0.094 0.000 0.918 407 Q CB 0.495 29.106 28.738 -0.212 0.000 0.980 407 Q HN 0.455 nan 8.270 nan 0.000 0.505 408 G N -0.356 108.476 108.800 0.053 0.000 2.134 408 G HA2 -0.234 3.730 3.960 0.006 0.000 0.209 408 G HA3 -0.234 3.730 3.960 0.006 0.000 0.209 408 G C 0.304 175.335 174.900 0.218 0.000 0.993 408 G CA -0.073 45.104 45.100 0.127 0.000 0.669 408 G HN 0.293 nan 8.290 nan 0.000 0.519 409 F N 0.013 119.866 119.950 -0.162 0.000 2.236 409 F HA 0.222 4.753 4.527 0.006 0.000 0.302 409 F C 1.520 177.139 175.800 -0.301 0.000 1.073 409 F CA 0.274 58.063 58.000 -0.352 0.000 1.336 409 F CB -0.479 38.136 39.000 -0.642 0.000 1.040 409 F HN 0.220 nan 8.300 nan 0.000 0.507 410 F N -1.559 118.564 119.950 0.289 0.000 2.399 410 F HA 0.432 4.963 4.527 0.006 0.000 0.328 410 F C 0.894 176.756 175.800 0.103 0.000 1.084 410 F CA -1.500 56.614 58.000 0.190 0.000 1.053 410 F CB 0.757 39.819 39.000 0.102 0.000 1.209 410 F HN -0.422 nan 8.300 nan 0.000 0.502 411 V N 0.670 120.763 119.914 0.298 0.000 5.691 411 V HA -0.329 3.794 4.120 0.006 0.000 0.288 411 V C -0.580 175.588 176.094 0.124 0.000 0.615 411 V CA 0.926 63.330 62.300 0.174 0.000 0.619 411 V CB -2.409 29.497 31.823 0.137 0.000 0.296 411 V HN 0.844 nan 8.190 nan 0.000 0.834 412 D N 0.169 120.644 120.400 0.125 0.000 2.181 412 D HA 0.638 5.282 4.640 0.006 0.000 0.248 412 D C 1.197 177.532 176.300 0.059 0.000 1.020 412 D CA 0.167 54.218 54.000 0.084 0.000 0.891 412 D CB 1.738 42.590 40.800 0.086 0.000 1.187 412 D HN 0.349 nan 8.370 nan 0.000 0.443 413 S N 1.174 116.890 115.700 0.026 0.000 2.527 413 S HA 0.160 4.633 4.470 0.006 0.000 0.222 413 S C 1.249 175.844 174.600 -0.009 0.000 0.985 413 S CA -0.357 57.835 58.200 -0.013 0.000 0.921 413 S CB -0.068 63.114 63.200 -0.031 0.000 0.772 413 S HN 0.474 nan 8.310 nan 0.000 0.529 414 G N 0.951 109.771 108.800 0.033 0.000 2.491 414 G HA2 0.249 4.212 3.960 0.006 0.000 0.238 414 G HA3 0.249 4.212 3.960 0.006 0.000 0.238 414 G C -0.755 174.230 174.900 0.143 0.000 1.277 414 G CA -0.451 44.685 45.100 0.060 0.000 0.851 414 G HN 0.372 nan 8.290 nan 0.000 0.573 415 Y N 3.517 123.811 120.300 -0.008 0.000 2.636 415 Y HA 0.273 4.826 4.550 0.006 0.000 0.341 415 Y C 0.355 176.304 175.900 0.081 0.000 1.169 415 Y CA -2.067 56.052 58.100 0.031 0.000 1.498 415 Y CB -0.943 37.530 38.460 0.022 0.000 1.362 415 Y HN 0.496 nan 8.280 nan 0.000 0.494 416 Y N 8.205 128.481 120.300 -0.041 0.000 2.987 416 Y HA -0.023 4.531 4.550 0.006 0.000 0.339 416 Y C -1.442 174.299 175.900 -0.266 0.000 1.272 416 Y CA -0.845 57.195 58.100 -0.100 0.000 1.562 416 Y CB 0.755 39.281 38.460 0.110 0.000 1.253 416 Y HN 0.507 nan 8.280 nan 0.000 0.604 417 P HA -0.052 nan 4.420 nan 0.000 0.241 417 P C -0.864 176.009 177.300 -0.713 0.000 1.191 417 P CA 0.579 62.771 63.100 -1.514 0.000 0.771 417 P CB -0.146 30.946 31.700 -1.013 0.000 0.929 418 E N 0.989 120.981 120.200 -0.347 0.000 2.376 418 E HA 0.073 4.427 4.350 0.006 0.000 0.266 418 E C -0.084 176.447 176.600 -0.115 0.000 1.009 418 E CA -0.535 55.758 56.400 -0.179 0.000 0.902 418 E CB 0.744 30.402 29.700 -0.070 0.000 0.972 418 E HN -0.041 nan 8.360 nan 0.000 0.439 419 R N 3.355 123.789 120.500 -0.111 0.000 2.371 419 R HA 0.174 4.517 4.340 0.006 0.000 0.312 419 R C -0.341 175.935 176.300 -0.040 0.000 0.980 419 R CA -0.556 55.501 56.100 -0.072 0.000 0.867 419 R CB 0.590 30.816 30.300 -0.123 0.000 1.163 419 R HN 0.578 nan 8.270 nan 0.000 0.492 420 N N 2.580 121.272 118.700 -0.013 0.000 2.521 420 N HA 0.025 4.768 4.740 0.006 0.000 0.188 420 N C 1.009 176.519 175.510 -0.002 0.000 1.146 420 N CA 1.005 54.051 53.050 -0.006 0.000 0.893 420 N CB 0.715 39.202 38.487 0.000 0.000 0.975 420 N HN 0.952 nan 8.380 nan 0.000 0.451 421 G N 1.617 110.417 108.800 0.000 0.000 2.184 421 G HA2 -0.301 3.663 3.960 0.006 0.000 0.264 421 G HA3 -0.301 3.663 3.960 0.006 0.000 0.264 421 G C 0.388 175.298 174.900 0.018 0.000 0.975 421 G CA 0.682 45.787 45.100 0.009 0.000 0.642 421 G HN 0.547 nan 8.290 nan 0.000 0.536 422 D N 0.924 121.336 120.400 0.020 0.000 2.358 422 D HA 0.403 5.047 4.640 0.006 0.000 0.224 422 D C 1.367 177.688 176.300 0.035 0.000 1.123 422 D CA 0.542 54.556 54.000 0.023 0.000 0.833 422 D CB -0.530 40.280 40.800 0.016 0.000 0.946 422 D HN 0.679 nan 8.370 nan 0.000 0.505 423 G N 0.371 109.201 108.800 0.050 0.000 2.647 423 G HA2 0.298 4.261 3.960 0.006 0.000 0.271 423 G HA3 0.298 4.261 3.960 0.006 0.000 0.271 423 G C -0.133 174.804 174.900 0.062 0.000 1.300 423 G CA -0.419 44.725 45.100 0.074 0.000 0.997 423 G HN 0.147 nan 8.290 nan 0.000 0.533 424 I N 0.293 120.906 120.570 0.072 0.000 2.428 424 I HA 0.550 4.723 4.170 0.006 0.000 0.296 424 I C 0.436 176.578 176.117 0.042 0.000 0.985 424 I CA -1.316 60.006 61.300 0.037 0.000 1.260 424 I CB 1.318 39.317 38.000 -0.002 0.000 1.389 424 I HN 0.496 nan 8.210 nan 0.000 0.484 425 A N 7.414 130.243 122.820 0.014 0.000 2.545 425 A HA 0.633 4.956 4.320 0.006 0.000 0.300 425 A C -0.376 177.198 177.584 -0.016 0.000 1.252 425 A CA -0.796 51.245 52.037 0.006 0.000 0.753 425 A CB 0.424 19.427 19.000 0.005 0.000 1.144 425 A HN 0.520 nan 8.150 nan 0.000 0.457 426 R N 1.304 121.789 120.500 -0.026 0.000 2.459 426 R HA 0.437 4.781 4.340 0.006 0.000 0.281 426 R C -0.368 175.908 176.300 -0.040 0.000 1.050 426 R CA -0.534 55.545 56.100 -0.036 0.000 1.055 426 R CB 0.366 30.642 30.300 -0.041 0.000 1.045 426 R HN 0.713 nan 8.270 nan 0.000 0.495 427 Q N 1.222 120.995 119.800 -0.045 0.000 2.293 427 Q HA 0.166 4.510 4.340 0.006 0.000 0.251 427 Q C 1.237 177.190 176.000 -0.079 0.000 0.930 427 Q CA 0.049 55.818 55.803 -0.057 0.000 0.893 427 Q CB 1.098 29.805 28.738 -0.052 0.000 1.215 427 Q HN 0.710 nan 8.270 nan 0.000 0.425 428 I N 1.054 121.561 120.570 -0.105 0.000 3.111 428 I HA -0.081 4.092 4.170 0.006 0.000 0.272 428 I C 0.289 176.295 176.117 -0.184 0.000 1.268 428 I CA 0.939 62.130 61.300 -0.181 0.000 1.467 428 I CB 0.175 38.035 38.000 -0.235 0.000 1.087 428 I HN 0.602 nan 8.210 nan 0.000 0.467 429 N N 0.586 119.211 118.700 -0.124 0.000 2.204 429 N HA 0.227 4.970 4.740 0.006 0.000 0.219 429 N C 0.488 175.949 175.510 -0.080 0.000 1.151 429 N CA 0.138 53.124 53.050 -0.107 0.000 0.867 429 N CB 0.935 39.368 38.487 -0.089 0.000 1.043 429 N HN 0.374 nan 8.380 nan 0.000 0.516 430 G N -0.859 107.897 108.800 -0.073 0.000 3.042 430 G HA2 0.670 4.634 3.960 0.006 0.000 0.278 430 G HA3 0.670 4.634 3.960 0.006 0.000 0.278 430 G C -0.094 174.781 174.900 -0.042 0.000 1.371 430 G CA -0.222 44.846 45.100 -0.053 0.000 1.009 430 G HN 0.380 nan 8.290 nan 0.000 0.523 431 G N -1.352 107.429 108.800 -0.033 0.000 2.756 431 G HA2 0.134 4.097 3.960 0.006 0.000 0.678 431 G HA3 0.134 4.097 3.960 0.006 0.000 0.678 431 G C -0.236 174.657 174.900 -0.012 0.000 1.349 431 G CA -0.463 44.624 45.100 -0.022 0.000 0.847 431 G HN 1.003 nan 8.290 nan 0.000 0.548 432 I N 1.643 122.214 120.570 0.002 0.000 2.828 432 I HA 0.337 4.510 4.170 0.006 0.000 0.292 432 I C 1.831 177.969 176.117 0.035 0.000 1.206 432 I CA 1.710 63.023 61.300 0.021 0.000 1.420 432 I CB -0.533 37.506 38.000 0.066 0.000 1.368 432 I HN 2.326 nan 8.210 nan 0.000 0.556 433 G N 4.610 113.428 108.800 0.030 0.000 2.132 433 G HA2 -0.075 3.889 3.960 0.006 0.000 0.228 433 G HA3 -0.075 3.889 3.960 0.006 0.000 0.228 433 G C 0.408 175.315 174.900 0.012 0.000 1.000 433 G CA -0.052 45.070 45.100 0.037 0.000 0.693 433 G HN 1.095 nan 8.290 nan 0.000 0.515 434 A N -0.208 122.606 122.820 -0.010 0.000 2.450 434 A HA 0.733 5.057 4.320 0.006 0.000 0.255 434 A C 1.882 179.433 177.584 -0.055 0.000 1.096 434 A CA 1.369 53.382 52.037 -0.039 0.000 0.778 434 A CB 0.286 19.258 19.000 -0.047 0.000 1.031 434 A HN 2.341 nan 8.150 nan 0.000 0.494 435 G N 1.827 110.573 108.800 -0.090 0.000 2.143 435 G HA2 -0.214 3.750 3.960 0.006 0.000 0.248 435 G HA3 -0.214 3.750 3.960 0.006 0.000 0.248 435 G C 0.507 175.284 174.900 -0.204 0.000 0.991 435 G CA 1.002 46.017 45.100 -0.142 0.000 0.689 435 G HN 1.959 nan 8.290 nan 0.000 0.522 436 T N -2.158 112.323 114.554 -0.123 0.000 3.258 436 T HA 0.574 4.927 4.350 0.006 0.000 0.263 436 T C 0.282 174.966 174.700 -0.028 0.000 0.983 436 T CA 0.069 62.142 62.100 -0.044 0.000 0.907 436 T CB 1.169 70.125 68.868 0.148 0.000 1.096 436 T HN 0.565 nan 8.240 nan 0.000 0.556 437 V N 2.226 122.001 119.914 -0.233 0.000 2.370 437 V HA 0.557 4.681 4.120 0.006 0.000 0.279 437 V C -0.726 175.197 176.094 -0.285 0.000 1.029 437 V CA -0.901 61.344 62.300 -0.092 0.000 0.870 437 V CB 0.397 32.191 31.823 -0.047 0.000 0.984 437 V HN 0.491 nan 8.190 nan 0.000 0.451 438 F N 2.191 122.165 119.950 0.039 0.000 2.508 438 F HA 0.492 5.023 4.527 0.006 0.000 0.325 438 F C 0.401 176.222 175.800 0.035 0.000 1.090 438 F CA -0.740 57.285 58.000 0.042 0.000 0.945 438 F CB 1.664 40.700 39.000 0.060 0.000 1.156 438 F HN 0.465 nan 8.300 nan 0.000 0.463 439 E N 2.873 123.185 120.200 0.186 0.000 2.283 439 E HA 0.294 4.648 4.350 0.006 0.000 0.278 439 E C -0.591 176.077 176.600 0.112 0.000 1.027 439 E CA -0.730 55.731 56.400 0.103 0.000 0.843 439 E CB 0.793 30.529 29.700 0.059 0.000 1.062 439 E HN 0.560 nan 8.360 nan 0.000 0.401 440 R N 3.472 123.996 120.500 0.041 0.000 2.442 440 R HA 0.103 4.447 4.340 0.006 0.000 0.291 440 R C -0.350 176.013 176.300 0.105 0.000 1.069 440 R CA -0.317 55.811 56.100 0.045 0.000 1.022 440 R CB 0.448 30.681 30.300 -0.112 0.000 0.976 440 R HN 0.526 nan 8.270 nan 0.000 0.443 441 D N 1.424 121.948 120.400 0.207 0.000 2.411 441 D HA -0.063 4.580 4.640 0.006 0.000 0.251 441 D C 1.258 177.678 176.300 0.201 0.000 1.201 441 D CA -0.307 53.789 54.000 0.161 0.000 0.996 441 D CB 0.635 41.531 40.800 0.160 0.000 1.101 441 D HN 0.527 nan 8.370 nan 0.000 0.504 442 E N 0.839 121.117 120.200 0.130 0.000 2.114 442 E HA -0.241 4.112 4.350 0.006 0.000 0.199 442 E C 0.209 177.000 176.600 0.318 0.000 1.008 442 E CA 1.428 57.922 56.400 0.155 0.000 0.810 442 E CB 0.051 29.804 29.700 0.088 0.000 0.739 442 E HN 0.508 nan 8.360 nan 0.000 0.456 443 D N -0.961 119.583 120.400 0.239 0.000 2.463 443 D HA -0.064 4.579 4.640 0.006 0.000 0.224 443 D C 0.356 176.780 176.300 0.206 0.000 1.174 443 D CA -0.656 53.458 54.000 0.191 0.000 0.829 443 D CB -1.319 39.539 40.800 0.096 0.000 0.993 443 D HN 0.152 nan 8.370 nan 0.000 0.497 444 Y N 1.520 121.939 120.300 0.199 0.000 2.903 444 Y HA 0.152 4.705 4.550 0.006 0.000 0.338 444 Y C 0.170 176.123 175.900 0.088 0.000 1.265 444 Y CA 0.372 58.568 58.100 0.160 0.000 1.532 444 Y CB 0.439 39.045 38.460 0.242 0.000 1.293 444 Y HN 0.008 nan 8.280 nan 0.000 0.609 445 M N 4.816 123.948 119.600 -0.779 0.000 2.465 445 M HA 0.644 5.127 4.480 0.006 0.000 0.284 445 M C -2.100 173.833 176.300 -0.611 0.000 1.212 445 M CA -0.607 54.419 55.300 -0.456 0.000 0.910 445 M CB 2.168 34.686 32.600 -0.136 0.000 1.725 445 M HN 0.750 nan 8.290 nan 0.000 0.477 446 A N 4.783 127.389 122.820 -0.356 0.000 2.499 446 A HA 0.729 5.053 4.320 0.006 0.000 0.280 446 A C -2.686 174.733 177.584 -0.274 0.000 1.135 446 A CA -1.001 50.798 52.037 -0.397 0.000 0.744 446 A CB 0.872 19.444 19.000 -0.714 0.000 1.213 446 A HN 0.561 nan 8.150 nan 0.000 0.434 447 P HA 0.098 nan 4.420 nan 0.000 0.258 447 P C 0.315 177.528 177.300 -0.144 0.000 1.403 447 P CA 0.539 63.533 63.100 -0.176 0.000 0.826 447 P CB -0.265 31.324 31.700 -0.185 0.000 1.414 448 V N -5.148 114.676 119.914 -0.151 0.000 3.166 448 V HA 0.666 4.789 4.120 0.006 0.000 0.317 448 V C -0.018 176.014 176.094 -0.105 0.000 1.136 448 V CA -0.681 61.541 62.300 -0.130 0.000 1.035 448 V CB 1.419 33.162 31.823 -0.134 0.000 1.110 448 V HN -0.247 nan 8.190 nan 0.000 0.450 449 T N 0.899 115.363 114.554 -0.150 0.000 2.927 449 T HA 0.668 5.022 4.350 0.006 0.000 0.281 449 T C 0.548 175.148 174.700 -0.168 0.000 0.998 449 T CA 0.485 62.483 62.100 -0.170 0.000 1.019 449 T CB 1.090 69.783 68.868 -0.291 0.000 1.061 449 T HN 2.340 nan 8.240 nan 0.000 0.518 450 A N 1.485 124.247 122.820 -0.096 0.000 2.610 450 A HA -0.178 4.146 4.320 0.006 0.000 0.299 450 A C -0.017 177.635 177.584 0.113 0.000 1.487 450 A CA 0.809 52.851 52.037 0.008 0.000 0.743 450 A CB -2.398 16.567 19.000 -0.059 0.000 1.070 450 A HN 0.935 nan 8.150 nan 0.000 0.439 451 H N -1.422 117.668 119.070 0.033 0.000 2.458 451 H HA 0.637 5.197 4.556 0.006 0.000 0.330 451 H C 0.422 175.831 175.328 0.136 0.000 1.111 451 H CA -0.250 55.848 56.048 0.084 0.000 1.245 451 H CB 0.476 30.274 29.762 0.060 0.000 1.456 451 H HN 0.398 nan 8.280 nan 0.000 0.488 452 F N 2.915 122.624 119.950 -0.402 0.000 2.243 452 F HA 0.337 4.868 4.527 0.006 0.000 0.287 452 F C 1.301 176.953 175.800 -0.246 0.000 1.067 452 F CA 0.925 58.783 58.000 -0.237 0.000 1.304 452 F CB -0.304 38.604 39.000 -0.154 0.000 1.087 452 F HN 0.641 nan 8.300 nan 0.000 0.513 453 G N -0.911 107.622 108.800 -0.444 0.000 2.653 453 G HA2 -0.004 3.959 3.960 0.006 0.000 0.265 453 G HA3 -0.004 3.959 3.960 0.006 0.000 0.265 453 G C -1.306 173.503 174.900 -0.150 0.000 1.237 453 G CA -0.370 44.538 45.100 -0.320 0.000 0.946 453 G HN 0.396 nan 8.290 nan 0.000 0.522 454 Y N 0.978 121.187 120.300 -0.151 0.000 2.745 454 Y HA 0.106 4.660 4.550 0.006 0.000 0.335 454 Y C 0.105 176.091 175.900 0.144 0.000 1.212 454 Y CA -0.092 57.988 58.100 -0.033 0.000 1.535 454 Y CB 0.162 38.599 38.460 -0.038 0.000 1.220 454 Y HN 0.375 nan 8.280 nan 0.000 0.531 455 N N 5.847 124.350 118.700 -0.329 0.000 2.483 455 N HA 0.093 4.836 4.740 0.006 0.000 0.267 455 N C -1.364 173.935 175.510 -0.352 0.000 0.998 455 N CA -0.600 52.393 53.050 -0.096 0.000 0.918 455 N CB 0.514 39.068 38.487 0.111 0.000 1.215 455 N HN 0.699 nan 8.380 nan 0.000 0.500 456 N N 3.932 122.451 118.700 -0.302 0.000 3.178 456 N HA 0.048 4.792 4.740 0.006 0.000 0.300 456 N C 0.628 176.115 175.510 -0.039 0.000 1.242 456 N CA 0.037 52.964 53.050 -0.206 0.000 1.192 456 N CB -0.020 38.444 38.487 -0.039 0.000 1.463 456 N HN 0.335 nan 8.380 nan 0.000 0.539 457 V N 1.671 121.560 119.914 -0.043 0.000 2.591 457 V HA -0.156 3.968 4.120 0.006 0.000 0.249 457 V C 2.287 178.414 176.094 0.055 0.000 1.053 457 V CA 1.067 63.386 62.300 0.033 0.000 1.068 457 V CB -0.307 31.515 31.823 -0.002 0.000 0.689 457 V HN 0.457 nan 8.190 nan 0.000 0.462 458 K N 1.805 122.207 120.400 0.003 0.000 2.077 458 K HA -0.305 4.018 4.320 0.006 0.000 0.213 458 K C 2.138 178.721 176.600 -0.028 0.000 1.051 458 K CA 2.493 58.777 56.287 -0.004 0.000 0.929 458 K CB -0.580 31.913 32.500 -0.012 0.000 0.715 458 K HN 0.722 nan 8.250 nan 0.000 0.451 459 Q N -1.737 118.017 119.800 -0.078 0.000 2.368 459 Q HA -0.203 4.141 4.340 0.006 0.000 0.210 459 Q C 0.993 176.727 176.000 -0.444 0.000 0.982 459 Q CA 1.661 57.310 55.803 -0.257 0.000 0.884 459 Q CB -0.259 28.268 28.738 -0.351 0.000 0.933 459 Q HN 0.536 nan 8.270 nan 0.000 0.460 460 Y N -0.684 119.600 120.300 -0.028 0.000 2.589 460 Y HA 0.332 4.885 4.550 0.006 0.000 0.271 460 Y C 0.092 175.978 175.900 -0.024 0.000 1.107 460 Y CA -0.357 57.726 58.100 -0.028 0.000 1.273 460 Y CB 1.151 39.588 38.460 -0.038 0.000 1.266 460 Y HN 0.048 nan 8.280 nan 0.000 0.504 461 D N -0.304 120.164 120.400 0.112 0.000 2.419 461 D HA 0.177 4.821 4.640 0.006 0.000 0.219 461 D C 0.544 176.862 176.300 0.031 0.000 1.349 461 D CA 0.582 54.617 54.000 0.057 0.000 0.964 461 D CB 1.249 42.082 40.800 0.055 0.000 1.463 461 D HN 0.273 nan 8.370 nan 0.000 0.573 462 E N 1.913 122.123 120.200 0.015 0.000 2.267 462 E HA -0.086 4.268 4.350 0.006 0.000 0.197 462 E C 1.502 178.108 176.600 0.010 0.000 0.998 462 E CA 1.675 58.080 56.400 0.008 0.000 0.830 462 E CB -0.142 29.561 29.700 0.004 0.000 0.751 462 E HN 0.486 nan 8.360 nan 0.000 0.491 463 A N -1.035 121.792 122.820 0.013 0.000 2.275 463 A HA 0.483 4.807 4.320 0.006 0.000 0.212 463 A C 1.483 179.073 177.584 0.011 0.000 1.201 463 A CA 0.323 52.367 52.037 0.011 0.000 0.843 463 A CB 0.347 19.353 19.000 0.011 0.000 0.873 463 A HN 0.342 nan 8.150 nan 0.000 0.492 464 L N -0.468 120.762 121.223 0.012 0.000 2.910 464 L HA 0.193 4.536 4.340 0.006 0.000 0.252 464 L C 1.662 178.535 176.870 0.005 0.000 1.195 464 L CA 0.582 55.427 54.840 0.009 0.000 1.003 464 L CB 0.378 42.443 42.059 0.011 0.000 1.328 464 L HN 0.138 nan 8.230 nan 0.000 0.540 465 V N -0.594 119.323 119.914 0.004 0.000 2.392 465 V HA -0.251 3.872 4.120 0.006 0.000 0.249 465 V C 2.371 178.466 176.094 0.002 0.000 1.059 465 V CA 2.064 64.363 62.300 -0.002 0.000 1.051 465 V CB -0.720 31.101 31.823 -0.003 0.000 0.658 465 V HN 0.706 nan 8.190 nan 0.000 0.455 466 S N -0.800 114.906 115.700 0.009 0.000 2.478 466 S HA 0.033 4.507 4.470 0.006 0.000 0.222 466 S C 0.866 175.477 174.600 0.019 0.000 1.008 466 S CA 0.295 58.505 58.200 0.017 0.000 0.928 466 S CB 0.020 63.233 63.200 0.022 0.000 0.781 466 S HN 0.644 nan 8.310 nan 0.000 0.518 467 E N 1.438 121.645 120.200 0.011 0.000 3.651 467 E HA 0.268 4.622 4.350 0.006 0.000 0.220 467 E C -2.470 174.124 176.600 -0.011 0.000 1.222 467 E CA -1.700 54.703 56.400 0.006 0.000 1.114 467 E CB 1.270 30.977 29.700 0.012 0.000 1.278 467 E HN 0.292 nan 8.360 nan 0.000 0.412 468 P HA -0.159 nan 4.420 nan 0.000 0.223 468 P C 1.567 178.831 177.300 -0.060 0.000 1.144 468 P CA 1.149 64.225 63.100 -0.039 0.000 0.783 468 P CB 0.263 31.938 31.700 -0.043 0.000 0.771 469 S N -0.962 114.704 115.700 -0.056 0.000 2.489 469 S HA -0.014 4.459 4.470 0.006 0.000 0.228 469 S C 1.745 176.313 174.600 -0.053 0.000 0.995 469 S CA 0.486 58.646 58.200 -0.067 0.000 0.934 469 S CB -0.695 62.462 63.200 -0.073 0.000 0.771 469 S HN 0.073 nan 8.310 nan 0.000 0.522 470 K N 0.235 120.613 120.400 -0.036 0.000 2.360 470 K HA 0.085 4.409 4.320 0.006 0.000 0.201 470 K C 1.347 177.924 176.600 -0.038 0.000 1.046 470 K CA 0.591 56.862 56.287 -0.026 0.000 0.945 470 K CB -0.303 32.190 32.500 -0.012 0.000 0.750 470 K HN 0.261 nan 8.250 nan 0.000 0.464 471 L N 0.617 121.806 121.223 -0.056 0.000 2.362 471 L HA -0.066 4.278 4.340 0.006 0.000 0.219 471 L C 1.537 178.351 176.870 -0.093 0.000 1.134 471 L CA 1.470 56.262 54.840 -0.081 0.000 0.807 471 L CB -0.063 41.926 42.059 -0.118 0.000 0.927 471 L HN 0.215 nan 8.230 nan 0.000 0.447 472 I N -6.024 114.498 120.570 -0.080 0.000 3.817 472 I HA 0.317 4.491 4.170 0.006 0.000 0.325 472 I C -0.444 175.642 176.117 -0.052 0.000 1.550 472 I CA -0.222 61.033 61.300 -0.075 0.000 1.100 472 I CB 0.278 38.225 38.000 -0.088 0.000 1.216 472 I HN -0.125 nan 8.210 nan 0.000 0.481 473 D N 1.630 122.005 120.400 -0.041 0.000 3.041 473 D HA -0.128 4.516 4.640 0.006 0.000 0.220 473 D C 0.698 176.984 176.300 -0.023 0.000 1.157 473 D CA 1.647 55.631 54.000 -0.027 0.000 0.876 473 D CB -1.503 39.284 40.800 -0.023 0.000 1.107 473 D HN 1.109 nan 8.370 nan 0.000 0.422 474 G N -1.002 107.779 108.800 -0.032 0.000 2.911 474 G HA2 0.086 4.050 3.960 0.006 0.000 0.686 474 G HA3 0.086 4.050 3.960 0.006 0.000 0.686 474 G C 0.541 175.415 174.900 -0.045 0.000 1.136 474 G CA -0.220 44.861 45.100 -0.030 0.000 0.764 474 G HN 0.935 nan 8.290 nan 0.000 0.626 475 C N 0.896 120.157 119.300 -0.064 0.000 2.590 475 C HA 0.859 5.322 4.460 0.006 0.000 0.354 475 C C 2.560 177.514 174.990 -0.059 0.000 1.622 475 C CA 0.756 59.729 59.018 -0.076 0.000 2.050 475 C CB 0.592 28.265 27.740 -0.113 0.000 1.960 475 C HN 1.972 nan 8.230 nan 0.000 0.550 476 T N -0.661 113.858 114.554 -0.058 0.000 2.946 476 T HA -0.115 4.238 4.350 0.006 0.000 0.271 476 T C 1.223 175.912 174.700 -0.017 0.000 1.104 476 T CA 1.522 63.607 62.100 -0.025 0.000 1.114 476 T CB -0.795 68.068 68.868 -0.008 0.000 0.867 476 T HN 0.678 nan 8.240 nan 0.000 0.513 477 L N -0.498 120.664 121.223 -0.102 0.000 2.554 477 L HA 0.300 4.643 4.340 0.006 0.000 0.226 477 L C 2.282 179.210 176.870 0.096 0.000 1.137 477 L CA 0.618 55.397 54.840 -0.103 0.000 0.863 477 L CB -0.282 41.314 42.059 -0.771 0.000 0.985 477 L HN 0.211 nan 8.230 nan 0.000 0.451 478 E N -0.850 119.374 120.200 0.040 0.000 2.399 478 E HA 0.113 4.466 4.350 0.006 0.000 0.205 478 E C 0.065 176.696 176.600 0.052 0.000 0.906 478 E CA 0.234 56.676 56.400 0.070 0.000 0.998 478 E CB 1.091 30.811 29.700 0.035 0.000 1.002 478 E HN 0.055 nan 8.360 nan 0.000 0.501 479 V N 2.072 122.005 119.914 0.031 0.000 2.462 479 V HA 0.182 4.305 4.120 0.006 0.000 0.257 479 V C -2.180 173.927 176.094 0.022 0.000 0.944 479 V CA -1.079 61.233 62.300 0.021 0.000 0.903 479 V CB 1.146 32.972 31.823 0.005 0.000 1.128 479 V HN -0.000 nan 8.190 nan 0.000 0.486 480 P HA -0.220 nan 4.420 nan 0.000 0.219 480 P C 1.308 178.622 177.300 0.023 0.000 1.151 480 P CA 1.480 64.601 63.100 0.034 0.000 0.850 480 P CB 0.409 32.124 31.700 0.024 0.000 0.784 481 E N -0.398 119.810 120.200 0.014 0.000 2.153 481 E HA -0.146 4.207 4.350 0.006 0.000 0.194 481 E C 1.712 178.322 176.600 0.017 0.000 0.988 481 E CA 1.017 57.424 56.400 0.011 0.000 0.811 481 E CB -0.653 29.050 29.700 0.005 0.000 0.746 481 E HN 0.351 nan 8.360 nan 0.000 0.466 482 K N 0.448 120.857 120.400 0.014 0.000 2.362 482 K HA -0.012 4.312 4.320 0.006 0.000 0.200 482 K C 0.322 176.935 176.600 0.023 0.000 1.046 482 K CA 0.323 56.616 56.287 0.011 0.000 0.952 482 K CB -0.192 32.307 32.500 -0.003 0.000 0.753 482 K HN 0.205 nan 8.250 nan 0.000 0.466 483 I N 2.596 123.188 120.570 0.037 0.000 2.742 483 I HA -0.091 4.082 4.170 0.006 0.000 0.287 483 I C 0.222 176.388 176.117 0.081 0.000 1.186 483 I CA -0.097 61.239 61.300 0.060 0.000 1.417 483 I CB 0.315 38.365 38.000 0.083 0.000 1.377 483 I HN -0.215 nan 8.210 nan 0.000 0.556 484 V N 8.004 127.960 119.914 0.071 0.000 2.555 484 V HA -0.032 4.092 4.120 0.006 0.000 0.286 484 V C -0.283 175.889 176.094 0.129 0.000 1.044 484 V CA -0.120 62.227 62.300 0.078 0.000 1.026 484 V CB 0.641 32.486 31.823 0.035 0.000 0.981 484 V HN 0.454 nan 8.190 nan 0.000 0.480 485 Y N 6.139 126.453 120.300 0.023 0.000 2.356 485 Y HA 0.518 5.072 4.550 0.006 0.000 0.334 485 Y C -0.103 175.811 175.900 0.024 0.000 0.958 485 Y CA -1.078 57.040 58.100 0.030 0.000 1.196 485 Y CB 0.736 39.220 38.460 0.039 0.000 1.137 485 Y HN 0.442 nan 8.280 nan 0.000 0.485 486 I N 5.913 126.175 120.570 -0.513 0.000 2.395 486 I HA 0.053 4.226 4.170 0.006 0.000 0.289 486 I C 0.567 176.216 176.117 -0.780 0.000 1.023 486 I CA 0.127 61.152 61.300 -0.459 0.000 1.350 486 I CB 1.393 39.229 38.000 -0.273 0.000 1.409 486 I HN 0.770 nan 8.210 nan 0.000 0.507 487 D N 4.548 124.705 120.400 -0.404 0.000 2.297 487 D HA 0.044 4.688 4.640 0.006 0.000 0.233 487 D C 0.169 176.380 176.300 -0.149 0.000 1.056 487 D CA 1.337 55.196 54.000 -0.235 0.000 0.938 487 D CB 0.661 41.461 40.800 0.001 0.000 1.048 487 D HN 0.530 nan 8.370 nan 0.000 0.442 488 E N -0.531 119.619 120.200 -0.084 0.000 2.408 488 E HA 0.373 4.727 4.350 0.006 0.000 0.275 488 E C -0.622 175.947 176.600 -0.050 0.000 0.935 488 E CA -0.466 55.901 56.400 -0.056 0.000 0.775 488 E CB 2.174 31.862 29.700 -0.019 0.000 1.277 488 E HN 0.107 nan 8.360 nan 0.000 0.455 489 L N 0.846 122.042 121.223 -0.044 0.000 3.347 489 L HA 0.349 4.692 4.340 0.006 0.000 0.306 489 L C -0.432 176.420 176.870 -0.029 0.000 1.301 489 L CA -0.022 54.794 54.840 -0.039 0.000 0.985 489 L CB 0.623 42.653 42.059 -0.049 0.000 1.400 489 L HN 0.319 nan 8.230 nan 0.000 0.601 490 D N 0.220 120.608 120.400 -0.020 0.000 2.688 490 D HA 0.156 4.800 4.640 0.006 0.000 0.210 490 D C 0.657 176.954 176.300 -0.006 0.000 1.333 490 D CA 0.558 54.550 54.000 -0.013 0.000 0.920 490 D CB 1.794 42.586 40.800 -0.013 0.000 1.554 490 D HN 0.087 nan 8.370 nan 0.000 0.579 491 E N 2.619 122.816 120.200 -0.004 0.000 2.106 491 E HA -0.142 4.211 4.350 0.006 0.000 0.192 491 E C 1.271 177.872 176.600 0.002 0.000 0.984 491 E CA 1.306 57.707 56.400 0.000 0.000 0.806 491 E CB -0.523 29.177 29.700 0.000 0.000 0.750 491 E HN 0.643 nan 8.360 nan 0.000 0.458 492 N N -0.425 118.275 118.700 0.001 0.000 2.402 492 N HA -0.013 4.731 4.740 0.006 0.000 0.174 492 N C 0.045 175.555 175.510 0.001 0.000 1.027 492 N CA 0.629 53.680 53.050 0.001 0.000 0.891 492 N CB 0.377 38.865 38.487 0.001 0.000 1.016 492 N HN 0.275 nan 8.380 nan 0.000 0.439 493 D N 0.964 121.365 120.400 0.002 0.000 2.477 493 D HA 0.164 4.808 4.640 0.006 0.000 0.239 493 D C -1.165 175.141 176.300 0.010 0.000 1.102 493 D CA -0.480 53.522 54.000 0.003 0.000 0.901 493 D CB -0.179 40.625 40.800 0.006 0.000 1.026 493 D HN 0.294 nan 8.370 nan 0.000 0.515 494 N N 0.202 118.910 118.700 0.013 0.000 3.277 494 N HA 0.131 4.875 4.740 0.006 0.000 0.278 494 N C -0.234 175.302 175.510 0.042 0.000 1.544 494 N CA -0.856 52.214 53.050 0.034 0.000 0.869 494 N CB 0.716 39.223 38.487 0.032 0.000 1.584 494 N HN -0.087 nan 8.380 nan 0.000 0.564 495 V N 0.282 120.250 119.914 0.090 0.000 2.379 495 V HA -0.131 3.992 4.120 0.006 0.000 0.245 495 V C 1.312 177.426 176.094 0.034 0.000 1.044 495 V CA 1.617 63.973 62.300 0.093 0.000 1.036 495 V CB -1.023 30.950 31.823 0.250 0.000 0.664 495 V HN 0.646 nan 8.190 nan 0.000 0.453 496 N N 0.181 118.908 118.700 0.044 0.000 2.137 496 N HA -0.164 4.580 4.740 0.006 0.000 0.190 496 N C 1.781 177.295 175.510 0.007 0.000 1.017 496 N CA 1.802 54.867 53.050 0.025 0.000 0.859 496 N CB -0.513 37.992 38.487 0.030 0.000 1.002 496 N HN 0.439 nan 8.380 nan 0.000 0.428 497 V N 1.899 121.816 119.914 0.005 0.000 2.270 497 V HA -0.172 3.951 4.120 0.006 0.000 0.245 497 V C 2.555 178.636 176.094 -0.021 0.000 1.043 497 V CA 1.450 63.747 62.300 -0.005 0.000 1.014 497 V CB -0.399 31.421 31.823 -0.006 0.000 0.645 497 V HN 0.250 nan 8.190 nan 0.000 0.447 498 R N -0.798 119.678 120.500 -0.039 0.000 2.083 498 R HA -0.150 4.194 4.340 0.006 0.000 0.237 498 R C 2.343 178.601 176.300 -0.069 0.000 1.137 498 R CA 1.605 57.658 56.100 -0.078 0.000 0.951 498 R CB -0.376 29.847 30.300 -0.128 0.000 0.851 498 R HN 0.385 nan 8.270 nan 0.000 0.434 499 M N 0.408 119.974 119.600 -0.056 0.000 2.202 499 M HA -0.161 4.322 4.480 0.006 0.000 0.262 499 M C 2.060 178.351 176.300 -0.016 0.000 1.063 499 M CA 1.347 56.620 55.300 -0.046 0.000 1.097 499 M CB -0.551 32.025 32.600 -0.039 0.000 1.382 499 M HN 0.167 nan 8.290 nan 0.000 0.413 500 E N 0.619 120.814 120.200 -0.008 0.000 2.208 500 E HA -0.136 4.218 4.350 0.006 0.000 0.193 500 E C 1.490 178.098 176.600 0.013 0.000 0.988 500 E CA 0.631 57.034 56.400 0.004 0.000 0.828 500 E CB 0.058 29.760 29.700 0.003 0.000 0.763 500 E HN 0.492 nan 8.360 nan 0.000 0.478 501 E N -0.268 119.936 120.200 0.005 0.000 2.396 501 E HA -0.128 4.226 4.350 0.006 0.000 0.200 501 E C 0.921 177.556 176.600 0.058 0.000 1.023 501 E CA 1.406 57.816 56.400 0.018 0.000 0.857 501 E CB 0.116 29.811 29.700 -0.008 0.000 0.775 501 E HN 0.280 nan 8.360 nan 0.000 0.525 502 T N -4.999 109.598 114.554 0.071 0.000 3.403 502 T HA 0.230 4.584 4.350 0.006 0.000 0.308 502 T C 1.360 176.159 174.700 0.166 0.000 0.952 502 T CA 0.249 62.450 62.100 0.168 0.000 0.970 502 T CB 0.396 69.335 68.868 0.117 0.000 1.189 502 T HN 0.049 nan 8.240 nan 0.000 0.528 503 K N 1.319 121.766 120.400 0.079 0.000 2.286 503 K HA 0.031 4.354 4.320 0.006 0.000 0.203 503 K C 2.088 178.707 176.600 0.032 0.000 1.045 503 K CA 1.949 58.263 56.287 0.046 0.000 0.935 503 K CB -1.790 30.720 32.500 0.017 0.000 0.737 503 K HN 0.859 nan 8.250 nan 0.000 0.460 504 E N -0.936 119.277 120.200 0.020 0.000 2.515 504 E HA 0.178 4.532 4.350 0.006 0.000 0.201 504 E C 1.028 177.414 176.600 -0.356 0.000 1.071 504 E CA 0.866 57.176 56.400 -0.150 0.000 0.880 504 E CB -0.780 28.808 29.700 -0.186 0.000 0.828 504 E HN 0.784 nan 8.360 nan 0.000 0.540 505 F N -1.608 118.335 119.950 -0.012 0.000 2.859 505 F HA 0.363 4.893 4.527 0.005 0.000 0.324 505 F C 0.607 176.395 175.800 -0.021 0.000 1.158 505 F CA -0.376 57.616 58.000 -0.014 0.000 1.147 505 F CB 1.184 40.176 39.000 -0.013 0.000 1.137 505 F HN 0.068 nan 8.300 nan 0.000 0.516 510 M N 2.315 121.881 119.600 -0.056 0.000 2.250 510 M HA 0.573 5.057 4.480 0.006 0.000 0.344 510 M C -0.074 176.320 176.300 0.156 0.000 1.150 510 M CA -0.292 54.989 55.300 -0.031 0.000 1.147 510 M CB 0.788 33.238 32.600 -0.251 0.000 1.498 510 M HN 0.544 nan 8.290 nan 0.000 0.461 511 I N 2.423 123.122 120.570 0.216 0.000 2.865 511 I HA 0.568 4.742 4.170 0.006 0.000 0.302 511 I C -1.214 175.036 176.117 0.223 0.000 1.140 511 I CA -0.527 60.912 61.300 0.232 0.000 1.021 511 I CB 2.326 40.388 38.000 0.104 0.000 1.233 511 I HN 0.779 nan 8.210 nan 0.000 0.427 512 K N 5.016 125.476 120.400 0.100 0.000 2.578 512 K HA 0.660 4.984 4.320 0.006 0.000 0.287 512 K C -3.100 173.448 176.600 -0.086 0.000 1.010 512 K CA -1.546 54.748 56.287 0.011 0.000 0.889 512 K CB 1.207 33.713 32.500 0.011 0.000 1.514 512 K HN 0.138 nan 8.250 nan 0.000 0.424 513 P HA 0.118 nan 4.420 nan 0.000 0.275 513 P C -1.371 175.823 177.300 -0.177 0.000 1.228 513 P CA -0.106 62.917 63.100 -0.129 0.000 0.786 513 P CB 0.651 32.275 31.700 -0.127 0.000 0.927 514 E N -0.148 119.941 120.200 -0.185 0.000 2.413 514 E HA 0.423 4.776 4.350 0.006 0.000 0.277 514 E C -0.478 175.988 176.600 -0.224 0.000 0.958 514 E CA -0.983 55.303 56.400 -0.190 0.000 0.779 514 E CB 1.523 31.153 29.700 -0.117 0.000 1.278 514 E HN 0.136 nan 8.360 nan 0.000 0.456 515 V N -1.443 118.265 119.914 -0.343 0.000 3.484 515 V HA 0.269 4.392 4.120 0.006 0.000 0.252 515 V C 0.961 176.805 176.094 -0.418 0.000 1.282 515 V CA 1.326 63.304 62.300 -0.537 0.000 1.104 515 V CB -0.404 30.491 31.823 -1.546 0.000 0.868 515 V HN 0.876 nan 8.190 nan 0.000 0.457 516 E N -2.364 117.624 120.200 -0.353 0.000 2.652 516 E HA 0.150 4.504 4.350 0.006 0.000 0.197 516 E C -0.117 176.512 176.600 0.047 0.000 0.936 516 E CA -0.455 55.679 56.400 -0.443 0.000 1.638 516 E CB 0.233 29.596 29.700 -0.562 0.000 1.884 516 E HN 0.464 nan 8.360 nan 0.000 1.005 517 W N 2.970 124.253 121.300 -0.028 0.000 2.632 517 W HA 0.451 5.114 4.660 0.006 0.000 0.328 517 W C 0.069 176.544 176.519 -0.073 0.000 1.044 517 W CA -1.855 55.469 57.345 -0.034 0.000 1.225 517 W CB 1.088 30.512 29.460 -0.060 0.000 1.396 517 W HN 0.061 nan 8.180 nan 0.000 0.499 518 Q N 1.894 121.778 119.800 0.140 0.000 3.042 518 Q HA 0.110 4.454 4.340 0.006 0.000 0.358 518 Q C 1.074 176.976 176.000 -0.164 0.000 1.064 518 Q CA 1.710 57.490 55.803 -0.039 0.000 1.188 518 Q CB 0.112 28.815 28.738 -0.058 0.000 0.967 518 Q HN 0.697 nan 8.270 nan 0.000 0.414 519 A N 3.898 126.549 122.820 -0.280 0.000 2.832 519 A HA -0.237 4.087 4.320 0.006 0.000 0.280 519 A C 0.624 178.041 177.584 -0.278 0.000 1.464 519 A CA 1.126 52.884 52.037 -0.465 0.000 0.804 519 A CB -1.888 16.424 19.000 -1.148 0.000 1.020 519 A HN 1.029 nan 8.150 nan 0.000 0.563 520 D N -1.469 118.844 120.400 -0.143 0.000 2.378 520 D HA 0.299 4.943 4.640 0.006 0.000 0.227 520 D C 1.661 177.875 176.300 -0.144 0.000 1.012 520 D CA 1.527 55.474 54.000 -0.088 0.000 0.905 520 D CB -0.636 40.139 40.800 -0.041 0.000 0.895 520 D HN 1.878 nan 8.370 nan 0.000 0.532 521 G N -0.686 108.004 108.800 -0.182 0.000 2.363 521 G HA2 -0.307 3.657 3.960 0.006 0.000 0.238 521 G HA3 -0.307 3.657 3.960 0.006 0.000 0.238 521 G C 0.622 175.401 174.900 -0.201 0.000 1.062 521 G CA 0.412 45.403 45.100 -0.182 0.000 0.629 521 G HN 0.529 nan 8.290 nan 0.000 0.514 522 T N 1.846 116.258 114.554 -0.238 0.000 2.928 522 T HA 0.481 4.834 4.350 0.006 0.000 0.305 522 T C 0.583 175.104 174.700 -0.298 0.000 1.035 522 T CA 0.668 62.604 62.100 -0.274 0.000 1.145 522 T CB 1.694 70.335 68.868 -0.378 0.000 0.963 522 T HN 1.614 nan 8.240 nan 0.000 0.545 523 V N 1.108 120.906 119.914 -0.194 0.000 3.167 523 V HA 0.904 5.028 4.120 0.006 0.000 0.310 523 V C -1.226 174.881 176.094 0.023 0.000 1.207 523 V CA -1.375 60.854 62.300 -0.118 0.000 1.059 523 V CB 2.043 33.830 31.823 -0.062 0.000 1.079 523 V HN 0.688 nan 8.190 nan 0.000 0.446 524 L N 1.861 123.157 121.223 0.122 0.000 2.385 524 L HA 0.847 5.190 4.340 0.006 0.000 0.273 524 L C -1.294 175.657 176.870 0.136 0.000 0.990 524 L CA -0.572 54.404 54.840 0.228 0.000 0.821 524 L CB 1.564 43.872 42.059 0.416 0.000 1.279 524 L HN 0.884 nan 8.230 nan 0.000 0.412 525 L N 4.332 125.619 121.223 0.107 0.000 2.349 525 L HA 0.713 5.057 4.340 0.006 0.000 0.278 525 L C -0.848 176.057 176.870 0.058 0.000 0.996 525 L CA 0.258 55.141 54.840 0.071 0.000 0.825 525 L CB 1.950 44.044 42.059 0.058 0.000 1.243 525 L HN 0.747 nan 8.230 nan 0.000 0.412 526 T N 6.321 120.905 114.554 0.050 0.000 2.791 526 T HA 0.688 5.042 4.350 0.006 0.000 0.288 526 T C -0.290 174.428 174.700 0.031 0.000 0.999 526 T CA -0.491 61.634 62.100 0.042 0.000 0.952 526 T CB 1.023 69.921 68.868 0.050 0.000 0.938 526 T HN 0.700 nan 8.240 nan 0.000 0.444 527 M N 1.955 121.570 119.600 0.025 0.000 2.618 527 M HA 0.824 5.307 4.480 0.006 0.000 0.281 527 M C -1.970 174.376 176.300 0.076 0.000 1.267 527 M CA -1.249 54.063 55.300 0.020 0.000 0.845 527 M CB 2.435 34.998 32.600 -0.062 0.000 1.732 527 M HN 0.478 nan 8.290 nan 0.000 0.461 528 F N 2.520 122.428 119.950 -0.070 0.000 2.467 528 F HA 0.770 5.300 4.527 0.005 0.000 0.336 528 F C -2.226 173.534 175.800 -0.067 0.000 1.123 528 F CA -0.687 57.282 58.000 -0.052 0.000 0.964 528 F CB 1.428 40.406 39.000 -0.036 0.000 1.136 528 F HN 0.582 nan 8.300 nan 0.000 0.447 529 L N 7.533 128.292 121.223 -0.774 0.000 2.341 529 L HA 0.462 4.806 4.340 0.006 0.000 0.278 529 L C -2.175 174.154 176.870 -0.903 0.000 1.005 529 L CA -2.075 52.389 54.840 -0.626 0.000 0.818 529 L CB 2.143 44.038 42.059 -0.273 0.000 1.259 529 L HN 0.482 nan 8.230 nan 0.000 0.418 530 P HA 0.057 nan 4.420 nan 0.000 0.249 530 P C -0.214 176.999 177.300 -0.144 0.000 1.686 530 P CA 0.458 63.398 63.100 -0.266 0.000 0.873 530 P CB 0.065 31.758 31.700 -0.011 0.000 1.828 531 T N -1.762 112.685 114.554 -0.179 0.000 2.681 531 T HA 0.439 4.793 4.350 0.006 0.000 0.296 531 T C -0.661 174.000 174.700 -0.064 0.000 1.157 531 T CA -0.496 61.559 62.100 -0.076 0.000 1.025 531 T CB 0.668 69.514 68.868 -0.037 0.000 1.441 531 T HN -0.066 nan 8.240 nan 0.000 0.504 532 S N 1.318 117.005 115.700 -0.022 0.000 2.573 532 S HA 0.175 4.648 4.470 0.006 0.000 0.277 532 S C 1.421 176.016 174.600 -0.008 0.000 1.346 532 S CA -0.197 57.998 58.200 -0.008 0.000 1.034 532 S CB 0.666 63.871 63.200 0.009 0.000 0.879 532 S HN 0.899 nan 8.310 nan 0.000 0.528 533 K N 1.762 122.159 120.400 -0.005 0.000 2.103 533 K HA -0.202 4.121 4.320 0.006 0.000 0.207 533 K C 2.117 178.723 176.600 0.011 0.000 1.048 533 K CA 1.271 57.552 56.287 -0.010 0.000 0.930 533 K CB -0.200 32.295 32.500 -0.009 0.000 0.716 533 K HN 0.571 nan 8.250 nan 0.000 0.444 534 R N 1.216 121.744 120.500 0.046 0.000 2.066 534 R HA -0.073 4.270 4.340 0.006 0.000 0.232 534 R C 2.192 178.604 176.300 0.187 0.000 1.131 534 R CA 1.312 57.479 56.100 0.111 0.000 0.955 534 R CB -0.232 30.148 30.300 0.133 0.000 0.851 534 R HN 0.114 nan 8.270 nan 0.000 0.432 535 V N 1.297 121.290 119.914 0.131 0.000 2.255 535 V HA -0.269 3.855 4.120 0.006 0.000 0.247 535 V C 2.504 178.669 176.094 0.119 0.000 1.051 535 V CA 2.052 64.431 62.300 0.132 0.000 1.018 535 V CB -0.895 30.967 31.823 0.065 0.000 0.641 535 V HN 0.575 nan 8.190 nan 0.000 0.445 536 A N -0.521 122.328 122.820 0.048 0.000 1.948 536 A HA -0.331 3.993 4.320 0.006 0.000 0.220 536 A C 2.283 179.880 177.584 0.021 0.000 1.177 536 A CA 2.350 54.392 52.037 0.008 0.000 0.636 536 A CB -0.543 18.416 19.000 -0.068 0.000 0.815 536 A HN 0.712 nan 8.150 nan 0.000 0.449 537 E N -1.386 118.812 120.200 -0.003 0.000 2.028 537 E HA -0.154 4.199 4.350 0.006 0.000 0.190 537 E C 1.675 178.204 176.600 -0.117 0.000 0.984 537 E CA 1.143 57.481 56.400 -0.103 0.000 0.800 537 E CB -0.258 29.313 29.700 -0.215 0.000 0.758 537 E HN 0.552 nan 8.360 nan 0.000 0.448 538 F N 0.885 120.849 119.950 0.023 0.000 2.234 538 F HA -0.019 4.511 4.527 0.005 0.000 0.299 538 F C 2.367 178.186 175.800 0.033 0.000 1.087 538 F CA 1.099 59.112 58.000 0.021 0.000 1.340 538 F CB -0.468 38.536 39.000 0.008 0.000 1.031 538 F HN 0.151 nan 8.300 nan 0.000 0.500 539 A N -0.137 122.813 122.820 0.218 0.000 1.930 539 A HA -0.034 4.289 4.320 0.006 0.000 0.217 539 A C 2.401 180.165 177.584 0.300 0.000 1.175 539 A CA 1.563 53.713 52.037 0.187 0.000 0.627 539 A CB -1.225 17.896 19.000 0.202 0.000 0.815 539 A HN 0.281 nan 8.150 nan 0.000 0.443 540 A N 0.074 123.045 122.820 0.253 0.000 1.972 540 A HA -0.029 4.295 4.320 0.006 0.000 0.219 540 A C 1.996 179.709 177.584 0.216 0.000 1.169 540 A CA 1.420 53.615 52.037 0.264 0.000 0.635 540 A CB -0.474 18.576 19.000 0.083 0.000 0.810 540 A HN 0.434 nan 8.150 nan 0.000 0.446 541 I N 0.133 120.775 120.570 0.121 0.000 2.076 541 I HA -0.209 3.964 4.170 0.006 0.000 0.237 541 I C 2.415 178.589 176.117 0.096 0.000 1.059 541 I CA 1.447 62.797 61.300 0.084 0.000 1.317 541 I CB -1.620 36.421 38.000 0.068 0.000 1.037 541 I HN 0.326 nan 8.210 nan 0.000 0.398 542 E N 0.841 121.080 120.200 0.065 0.000 2.108 542 E HA -0.249 4.105 4.350 0.006 0.000 0.203 542 E C 2.224 178.794 176.600 -0.051 0.000 1.022 542 E CA 1.523 57.904 56.400 -0.031 0.000 0.823 542 E CB -0.637 28.983 29.700 -0.133 0.000 0.744 542 E HN 0.416 nan 8.360 nan 0.000 0.456 543 F N 0.912 120.882 119.950 0.033 0.000 2.065 543 F HA -0.232 4.298 4.527 0.005 0.000 0.298 543 F C 2.557 178.376 175.800 0.032 0.000 1.112 543 F CA 1.358 59.376 58.000 0.031 0.000 1.212 543 F CB -0.899 38.117 39.000 0.027 0.000 0.975 543 F HN 0.030 nan 8.300 nan 0.000 0.476 544 A N -0.170 122.780 122.820 0.217 0.000 1.940 544 A HA -0.194 4.130 4.320 0.006 0.000 0.219 544 A C 2.308 179.946 177.584 0.090 0.000 1.176 544 A CA 1.565 53.679 52.037 0.129 0.000 0.631 544 A CB -0.509 18.547 19.000 0.093 0.000 0.814 544 A HN 0.260 nan 8.150 nan 0.000 0.446 545 K N 0.080 120.523 120.400 0.072 0.000 2.002 545 K HA -0.132 4.191 4.320 0.006 0.000 0.209 545 K C 1.925 178.558 176.600 0.055 0.000 1.048 545 K CA 1.524 57.840 56.287 0.049 0.000 0.930 545 K CB -0.371 32.148 32.500 0.031 0.000 0.714 545 K HN 0.471 nan 8.250 nan 0.000 0.438 546 K N 0.580 121.010 120.400 0.051 0.000 2.160 546 K HA -0.086 4.237 4.320 0.006 0.000 0.206 546 K C 1.922 178.575 176.600 0.089 0.000 1.047 546 K CA 1.280 57.601 56.287 0.056 0.000 0.930 546 K CB -0.155 32.368 32.500 0.039 0.000 0.720 546 K HN 0.201 nan 8.250 nan 0.000 0.450 547 M N 0.675 120.341 119.600 0.109 0.000 2.628 547 M HA 0.010 4.494 4.480 0.006 0.000 0.232 547 M C -0.394 175.977 176.300 0.119 0.000 1.128 547 M CA 0.333 55.703 55.300 0.117 0.000 1.040 547 M CB -0.031 32.640 32.600 0.117 0.000 1.608 547 M HN 0.125 nan 8.290 nan 0.000 0.507 548 N N -0.092 118.671 118.700 0.104 0.000 2.967 548 N HA -0.111 4.633 4.740 0.006 0.000 0.241 548 N C -0.623 174.909 175.510 0.037 0.000 0.983 548 N CA 0.585 53.702 53.050 0.110 0.000 0.918 548 N CB -1.516 37.113 38.487 0.237 0.000 1.109 548 N HN 0.349 nan 8.380 nan 0.000 0.567 549 L N 0.961 122.198 121.223 0.023 0.000 2.395 549 L HA 0.230 4.574 4.340 0.006 0.000 0.269 549 L C 0.997 177.860 176.870 -0.013 0.000 1.133 549 L CA 0.020 54.849 54.840 -0.018 0.000 0.812 549 L CB 0.618 42.678 42.059 0.001 0.000 1.125 549 L HN 0.001 nan 8.230 nan 0.000 0.452 550 E N 1.427 121.605 120.200 -0.036 0.000 2.222 550 E HA 0.213 4.566 4.350 0.006 0.000 0.267 550 E C -0.553 176.039 176.600 -0.014 0.000 0.963 550 E CA -0.737 55.651 56.400 -0.021 0.000 0.837 550 E CB 1.364 31.045 29.700 -0.032 0.000 1.183 550 E HN 0.463 nan 8.360 nan 0.000 0.403 551 E N -0.096 120.104 120.200 -0.001 0.000 2.210 551 E HA -0.171 4.182 4.350 0.006 0.000 0.201 551 E C -0.688 175.915 176.600 0.006 0.000 1.339 551 E CA -0.037 56.365 56.400 0.003 0.000 0.699 551 E CB -1.109 28.589 29.700 -0.003 0.000 1.126 551 E HN 0.151 nan 8.360 nan 0.000 0.355 552 V N 1.539 121.460 119.914 0.012 0.000 2.450 552 V HA 0.016 4.140 4.120 0.006 0.000 0.281 552 V C 0.717 176.815 176.094 0.006 0.000 1.019 552 V CA 0.862 63.171 62.300 0.015 0.000 1.062 552 V CB 0.834 32.671 31.823 0.024 0.000 0.979 552 V HN 0.248 nan 8.190 nan 0.000 0.477 553 E N 3.399 123.602 120.200 0.006 0.000 2.218 553 E HA 0.385 4.739 4.350 0.006 0.000 0.263 553 E C -1.062 175.528 176.600 -0.016 0.000 0.879 553 E CA -0.724 55.670 56.400 -0.010 0.000 0.762 553 E CB 2.410 32.112 29.700 0.002 0.000 1.166 553 E HN 0.466 nan 8.360 nan 0.000 0.415 554 V N 5.503 125.385 119.914 -0.053 0.000 2.485 554 V HA -0.009 4.114 4.120 0.006 0.000 0.287 554 V C 1.161 177.223 176.094 -0.052 0.000 1.022 554 V CA 0.685 62.949 62.300 -0.061 0.000 1.067 554 V CB 0.052 31.809 31.823 -0.111 0.000 0.967 554 V HN 0.659 nan 8.190 nan 0.000 0.479 555 I N 1.371 121.917 120.570 -0.041 0.000 4.018 555 I HA 0.502 4.675 4.170 0.006 0.000 0.337 555 I C 0.389 176.461 176.117 -0.075 0.000 1.327 555 I CA 0.091 61.356 61.300 -0.058 0.000 1.100 555 I CB 0.391 38.355 38.000 -0.061 0.000 1.025 555 I HN 0.599 nan 8.210 nan 0.000 0.396 556 N N 1.751 120.414 118.700 -0.062 0.000 2.516 556 N HA 0.425 5.168 4.740 0.006 0.000 0.268 556 N C -1.686 173.796 175.510 -0.047 0.000 1.096 556 N CA -0.549 52.464 53.050 -0.060 0.000 0.954 556 N CB 1.753 40.200 38.487 -0.067 0.000 1.676 556 N HN 0.196 nan 8.380 nan 0.000 0.490 557 R N 1.830 122.305 120.500 -0.042 0.000 2.502 557 R HA 0.441 4.785 4.340 0.006 0.000 0.300 557 R C -1.020 175.269 176.300 -0.018 0.000 0.984 557 R CA -0.709 55.372 56.100 -0.031 0.000 0.882 557 R CB 2.001 32.279 30.300 -0.036 0.000 1.180 557 R HN 0.429 nan 8.270 nan 0.000 0.444 558 E N 2.676 122.874 120.200 -0.004 0.000 2.145 558 E HA 0.167 4.520 4.350 0.006 0.000 0.262 558 E C -0.530 176.085 176.600 0.023 0.000 0.883 558 E CA -0.770 55.634 56.400 0.007 0.000 0.748 558 E CB 2.391 32.096 29.700 0.009 0.000 1.140 558 E HN 0.196 nan 8.360 nan 0.000 0.417 559 V N 5.407 125.331 119.914 0.017 0.000 2.434 559 V HA -0.117 4.007 4.120 0.006 0.000 0.281 559 V C 1.430 177.552 176.094 0.048 0.000 1.005 559 V CA 0.525 62.842 62.300 0.027 0.000 1.089 559 V CB 0.022 31.855 31.823 0.017 0.000 0.978 559 V HN 0.793 nan 8.190 nan 0.000 0.474 560 M N 2.236 121.889 119.600 0.088 0.000 2.081 560 M HA 0.059 4.542 4.480 0.006 0.000 0.261 560 M C 0.846 177.193 176.300 0.078 0.000 1.075 560 M CA 1.540 56.904 55.300 0.106 0.000 1.133 560 M CB -0.282 32.445 32.600 0.211 0.000 1.330 560 M HN 0.683 nan 8.290 nan 0.000 0.414 561 Q N -0.116 119.735 119.800 0.086 0.000 2.353 561 Q HA 0.160 4.504 4.340 0.006 0.000 0.275 561 Q C 0.036 176.063 176.000 0.045 0.000 1.029 561 Q CA -0.043 55.794 55.803 0.056 0.000 0.848 561 Q CB 2.406 31.178 28.738 0.056 0.000 1.390 561 Q HN 0.332 nan 8.270 nan 0.000 0.401 562 E N 1.845 122.062 120.200 0.029 0.000 2.113 562 E HA -0.325 4.029 4.350 0.006 0.000 0.210 562 E C 1.084 177.695 176.600 0.019 0.000 1.040 562 E CA 2.413 58.825 56.400 0.020 0.000 0.847 562 E CB 0.244 29.954 29.700 0.017 0.000 0.755 562 E HN 0.649 nan 8.360 nan 0.000 0.459 563 A N 0.509 123.344 122.820 0.025 0.000 1.887 563 A HA -0.068 4.256 4.320 0.006 0.000 0.212 563 A C 1.856 179.461 177.584 0.035 0.000 1.198 563 A CA 0.733 52.785 52.037 0.025 0.000 0.628 563 A CB -0.148 18.867 19.000 0.025 0.000 0.847 563 A HN 0.145 nan 8.150 nan 0.000 0.449 564 E N -0.207 120.029 120.200 0.061 0.000 2.338 564 E HA 0.210 4.564 4.350 0.006 0.000 0.197 564 E C 0.942 177.637 176.600 0.157 0.000 1.007 564 E CA 0.871 57.337 56.400 0.110 0.000 0.849 564 E CB -0.166 29.608 29.700 0.123 0.000 0.774 564 E HN 0.674 nan 8.360 nan 0.000 0.506 565 G N -0.501 108.341 108.800 0.070 0.000 2.359 565 G HA2 0.047 4.011 3.960 0.006 0.000 0.314 565 G HA3 0.047 4.011 3.960 0.006 0.000 0.314 565 G C -0.950 173.910 174.900 -0.066 0.000 1.364 565 G CA -0.620 44.408 45.100 -0.120 0.000 0.978 565 G HN -0.036 nan 8.290 nan 0.000 0.615 566 T N 0.030 114.401 114.554 -0.304 0.000 2.900 566 T HA 0.662 5.016 4.350 0.006 0.000 0.295 566 T C -0.036 174.630 174.700 -0.057 0.000 1.044 566 T CA -0.696 61.343 62.100 -0.103 0.000 0.995 566 T CB 2.003 70.807 68.868 -0.107 0.000 1.072 566 T HN 0.719 nan 8.240 nan 0.000 0.473 567 R N 2.757 123.301 120.500 0.073 0.000 2.254 567 R HA 0.565 4.908 4.340 0.006 0.000 0.318 567 R C -1.047 175.263 176.300 0.017 0.000 1.031 567 R CA -0.457 55.699 56.100 0.094 0.000 0.905 567 R CB 0.321 30.684 30.300 0.105 0.000 1.050 567 R HN 0.429 nan 8.270 nan 0.000 0.456 568 I N 3.436 124.009 120.570 0.005 0.000 2.608 568 I HA 0.338 4.511 4.170 0.006 0.000 0.295 568 I C -0.617 175.499 176.117 -0.002 0.000 1.049 568 I CA -0.679 60.611 61.300 -0.015 0.000 1.063 568 I CB 2.155 40.136 38.000 -0.033 0.000 1.248 568 I HN 0.736 nan 8.210 nan 0.000 0.424 569 E N 5.936 126.131 120.200 -0.008 0.000 2.246 569 E HA 0.645 4.999 4.350 0.006 0.000 0.266 569 E C -1.552 175.052 176.600 0.007 0.000 0.880 569 E CA -0.711 55.692 56.400 0.006 0.000 0.762 569 E CB 2.812 32.510 29.700 -0.002 0.000 1.180 569 E HN 0.264 nan 8.360 nan 0.000 0.416 570 L N 0.946 122.189 121.223 0.033 0.000 2.333 570 L HA 0.561 4.905 4.340 0.006 0.000 0.263 570 L C -0.359 176.568 176.870 0.095 0.000 1.014 570 L CA -1.117 53.749 54.840 0.044 0.000 0.820 570 L CB 0.850 42.928 42.059 0.030 0.000 1.352 570 L HN 0.367 nan 8.230 nan 0.000 0.421 571 K N -0.391 120.076 120.400 0.111 0.000 2.118 571 K HA 0.964 5.288 4.320 0.006 0.000 0.254 571 K C -0.341 176.299 176.600 0.067 0.000 0.961 571 K CA -0.769 55.610 56.287 0.153 0.000 0.876 571 K CB 1.934 34.591 32.500 0.261 0.000 1.077 571 K HN 0.822 nan 8.250 nan 0.000 0.440 572 G N 0.781 109.597 108.800 0.027 0.000 2.720 572 G HA2 0.355 4.319 3.960 0.006 0.000 0.295 572 G HA3 0.355 4.319 3.960 0.006 0.000 0.295 572 G C -1.799 173.064 174.900 -0.061 0.000 1.437 572 G CA -1.056 44.037 45.100 -0.011 0.000 0.886 572 G HN 0.583 nan 8.290 nan 0.000 0.509 573 R N 0.860 121.314 120.500 -0.076 0.000 2.312 573 R HA 0.574 4.917 4.340 0.006 0.000 0.311 573 R C -0.693 175.504 176.300 -0.171 0.000 1.004 573 R CA -0.486 55.543 56.100 -0.119 0.000 0.902 573 R CB 1.465 31.708 30.300 -0.095 0.000 1.073 573 R HN 0.264 nan 8.270 nan 0.000 0.457 574 V N 7.618 127.389 119.914 -0.239 0.000 2.408 574 V HA 0.207 4.330 4.120 0.006 0.000 0.267 574 V C -1.701 174.106 176.094 -0.479 0.000 1.047 574 V CA -1.439 60.602 62.300 -0.431 0.000 0.937 574 V CB 1.444 32.995 31.823 -0.452 0.000 0.999 574 V HN 0.836 nan 8.190 nan 0.000 0.472 575 P HA 0.151 nan 4.420 nan 0.000 0.256 575 P C -0.501 176.704 177.300 -0.157 0.000 1.335 575 P CA 0.468 63.403 63.100 -0.275 0.000 0.808 575 P CB -0.201 31.430 31.700 -0.115 0.000 1.305 576 F N -4.109 115.865 119.950 0.041 0.000 3.016 576 F HA 0.768 5.298 4.527 0.006 0.000 0.324 576 F C -0.215 175.631 175.800 0.077 0.000 1.196 576 F CA -1.347 56.686 58.000 0.056 0.000 0.929 576 F CB 0.248 39.272 39.000 0.040 0.000 1.440 576 F HN -0.485 nan 8.300 nan 0.000 0.505 577 S N -0.186 115.770 115.700 0.427 0.000 2.720 577 S HA 0.830 5.304 4.470 0.006 0.000 0.287 577 S C -1.723 173.011 174.600 0.222 0.000 1.168 577 S CA -0.563 57.817 58.200 0.301 0.000 0.832 577 S CB 2.325 65.707 63.200 0.303 0.000 1.166 577 S HN 0.536 nan 8.310 nan 0.000 0.493 578 I N 1.271 121.935 120.570 0.156 0.000 2.934 578 I HA 0.397 4.570 4.170 0.006 0.000 0.306 578 I C -1.175 174.974 176.117 0.053 0.000 1.110 578 I CA -0.380 60.973 61.300 0.087 0.000 1.019 578 I CB 1.979 40.027 38.000 0.080 0.000 1.227 578 I HN 0.580 nan 8.210 nan 0.000 0.434 579 D N 4.796 125.209 120.400 0.021 0.000 2.329 579 D HA 0.194 4.838 4.640 0.006 0.000 0.232 579 D C 1.191 177.495 176.300 0.006 0.000 1.088 579 D CA -0.324 53.678 54.000 0.004 0.000 0.835 579 D CB 1.089 41.882 40.800 -0.012 0.000 1.078 579 D HN 0.224 nan 8.370 nan 0.000 0.495 580 I N 3.958 124.534 120.570 0.010 0.000 2.113 580 I HA -0.353 3.820 4.170 0.006 0.000 0.242 580 I C 1.857 177.973 176.117 -0.002 0.000 1.057 580 I CA 1.228 62.532 61.300 0.006 0.000 1.314 580 I CB -1.128 36.874 38.000 0.004 0.000 1.022 580 I HN 0.509 nan 8.210 nan 0.000 0.408 581 N N 0.513 119.209 118.700 -0.007 0.000 2.519 581 N HA -0.087 4.656 4.740 0.006 0.000 0.186 581 N C 1.167 176.671 175.510 -0.010 0.000 1.062 581 N CA 0.722 53.766 53.050 -0.010 0.000 0.910 581 N CB -0.228 38.252 38.487 -0.013 0.000 0.958 581 N HN 0.287 nan 8.380 nan 0.000 0.445 582 S N 0.262 115.957 115.700 -0.009 0.000 2.552 582 S HA 0.296 4.770 4.470 0.006 0.000 0.246 582 S C 0.314 174.909 174.600 -0.008 0.000 1.019 582 S CA -0.257 57.936 58.200 -0.011 0.000 1.045 582 S CB 0.304 63.496 63.200 -0.013 0.000 0.784 582 S HN 0.154 nan 8.310 nan 0.000 0.453 583 L N 1.563 122.783 121.223 -0.006 0.000 2.329 583 L HA 0.531 4.874 4.340 0.006 0.000 0.279 583 L C -0.591 176.275 176.870 -0.006 0.000 1.014 583 L CA -0.866 53.971 54.840 -0.004 0.000 0.814 583 L CB 1.913 43.972 42.059 -0.001 0.000 1.257 583 L HN -0.040 nan 8.230 nan 0.000 0.424 584 V N 4.954 124.864 119.914 -0.006 0.000 2.334 584 V HA 0.331 4.454 4.120 0.006 0.000 0.267 584 V C 0.089 176.181 176.094 -0.005 0.000 1.040 584 V CA -0.106 62.191 62.300 -0.006 0.000 0.866 584 V CB 0.689 32.507 31.823 -0.007 0.000 1.019 584 V HN 0.468 nan 8.190 nan 0.000 0.468 585 I N 6.847 127.414 120.570 -0.005 0.000 2.390 585 I HA 0.405 4.578 4.170 0.006 0.000 0.283 585 I C -1.959 174.155 176.117 -0.004 0.000 1.016 585 I CA -1.596 59.701 61.300 -0.004 0.000 1.151 585 I CB 1.685 39.682 38.000 -0.004 0.000 1.293 585 I HN 0.473 nan 8.210 nan 0.000 0.458 586 P HA 0.326 nan 4.420 nan 0.000 0.272 586 P C -2.192 175.106 177.300 -0.003 0.000 1.223 586 P CA -0.688 62.410 63.100 -0.004 0.000 0.784 586 P CB -0.231 31.467 31.700 -0.003 0.000 0.923 592 L N 4.812 126.040 121.223 0.008 0.000 2.349 592 L HA 0.402 4.746 4.340 0.006 0.000 0.275 592 L C 0.734 177.593 176.870 -0.019 0.000 1.115 592 L CA -0.036 54.798 54.840 -0.010 0.000 0.820 592 L CB 1.530 43.576 42.059 -0.021 0.000 1.135 592 L HN 0.694 nan 8.230 nan 0.000 0.445 593 S N 0.763 116.451 115.700 -0.021 0.000 2.585 593 S HA 0.331 4.805 4.470 0.006 0.000 0.277 593 S C 1.031 175.613 174.600 -0.030 0.000 1.241 593 S CA -0.168 58.025 58.200 -0.012 0.000 1.041 593 S CB 1.681 64.882 63.200 0.002 0.000 0.987 593 S HN 0.700 nan 8.310 nan 0.000 0.512 594 E N 1.660 121.863 120.200 0.004 0.000 2.147 594 E HA -0.254 4.100 4.350 0.006 0.000 0.199 594 E C 1.143 177.784 176.600 0.069 0.000 1.005 594 E CA 2.280 58.715 56.400 0.058 0.000 0.810 594 E CB -1.464 28.344 29.700 0.179 0.000 0.736 594 E HN 0.908 nan 8.360 nan 0.000 0.460 595 D N -0.501 119.927 120.400 0.047 0.000 2.103 595 D HA 0.097 4.740 4.640 0.006 0.000 0.199 595 D C 2.395 178.705 176.300 0.017 0.000 0.978 595 D CA 1.943 55.967 54.000 0.040 0.000 0.829 595 D CB -0.139 40.680 40.800 0.031 0.000 0.981 595 D HN 0.596 nan 8.370 nan 0.000 0.464 596 E N 0.537 120.735 120.200 -0.002 0.000 2.204 596 E HA -0.114 4.239 4.350 0.006 0.000 0.195 596 E C 1.909 178.492 176.600 -0.028 0.000 0.990 596 E CA 0.884 57.276 56.400 -0.013 0.000 0.821 596 E CB -0.852 28.839 29.700 -0.016 0.000 0.750 596 E HN 0.369 nan 8.360 nan 0.000 0.477 597 I N -0.903 119.632 120.570 -0.057 0.000 2.400 597 I HA -0.010 4.163 4.170 0.006 0.000 0.248 597 I C 2.840 178.937 176.117 -0.033 0.000 1.109 597 I CA 0.819 62.061 61.300 -0.097 0.000 1.425 597 I CB -0.062 37.784 38.000 -0.256 0.000 1.094 597 I HN 0.177 nan 8.210 nan 0.000 0.425 598 R N 1.379 121.898 120.500 0.031 0.000 2.120 598 R HA -0.195 4.148 4.340 0.006 0.000 0.234 598 R C 2.210 178.541 176.300 0.052 0.000 1.123 598 R CA 1.902 58.063 56.100 0.100 0.000 0.975 598 R CB -0.080 30.302 30.300 0.137 0.000 0.866 598 R HN 0.439 nan 8.270 nan 0.000 0.446 599 E N 0.175 120.391 120.200 0.027 0.000 2.385 599 E HA -0.119 4.235 4.350 0.006 0.000 0.194 599 E C 1.279 177.884 176.600 0.008 0.000 1.013 599 E CA 1.092 57.502 56.400 0.018 0.000 0.866 599 E CB -0.384 29.323 29.700 0.013 0.000 0.832 599 E HN 0.544 nan 8.360 nan 0.000 0.500 600 D N -1.190 119.210 120.400 0.000 0.000 2.323 600 D HA 0.121 4.764 4.640 0.006 0.000 0.209 600 D C 1.514 177.812 176.300 -0.003 0.000 0.973 600 D CA 0.395 54.391 54.000 -0.008 0.000 0.874 600 D CB 0.085 40.872 40.800 -0.023 0.000 0.930 600 D HN 0.454 nan 8.370 nan 0.000 0.521 601 I N -0.180 120.395 120.570 0.008 0.000 3.708 601 I HA 0.056 4.230 4.170 0.006 0.000 0.302 601 I C 1.536 177.665 176.117 0.020 0.000 1.255 601 I CA 0.223 61.532 61.300 0.016 0.000 1.362 601 I CB 0.234 38.253 38.000 0.031 0.000 1.100 601 I HN -0.070 nan 8.210 nan 0.000 0.434 602 E N 0.823 121.036 120.200 0.021 0.000 2.208 602 E HA -0.157 4.196 4.350 0.006 0.000 0.193 602 E C 1.975 178.582 176.600 0.012 0.000 0.988 602 E CA 0.576 56.987 56.400 0.018 0.000 0.828 602 E CB 0.191 29.903 29.700 0.019 0.000 0.763 602 E HN 0.178 nan 8.360 nan 0.000 0.478 603 K N 0.476 120.881 120.400 0.009 0.000 2.076 603 K HA 0.004 4.328 4.320 0.006 0.000 0.204 603 K C 0.071 176.673 176.600 0.003 0.000 1.051 603 K CA 0.998 57.288 56.287 0.004 0.000 0.949 603 K CB 0.478 32.979 32.500 0.001 0.000 0.726 603 K HN 0.009 nan 8.250 nan 0.000 0.443 604 T N 2.994 117.550 114.554 0.002 0.000 3.066 604 T HA 0.316 4.670 4.350 0.006 0.000 0.318 604 T C -2.761 171.942 174.700 0.004 0.000 0.979 604 T CA -1.456 60.644 62.100 0.001 0.000 1.025 604 T CB 2.127 70.992 68.868 -0.006 0.000 1.002 604 T HN -0.063 nan 8.240 nan 0.000 0.453 605 P HA 0.268 nan 4.420 nan 0.000 0.268 605 P C -0.892 176.416 177.300 0.013 0.000 1.208 605 P CA -0.682 62.428 63.100 0.016 0.000 0.777 605 P CB 0.494 32.206 31.700 0.020 0.000 0.875 606 L N 2.569 123.804 121.223 0.021 0.000 2.376 606 L HA 0.497 4.841 4.340 0.006 0.000 0.275 606 L C -0.555 176.336 176.870 0.036 0.000 0.987 606 L CA -0.427 54.423 54.840 0.017 0.000 0.828 606 L CB 1.286 43.350 42.059 0.008 0.000 1.249 606 L HN 0.160 nan 8.230 nan 0.000 0.409 607 K N 5.120 125.540 120.400 0.033 0.000 2.358 607 K HA 0.637 4.960 4.320 0.006 0.000 0.260 607 K C -1.528 175.104 176.600 0.054 0.000 0.956 607 K CA -0.584 55.736 56.287 0.055 0.000 0.834 607 K CB 1.193 33.712 32.500 0.032 0.000 1.102 607 K HN 0.599 nan 8.250 nan 0.000 0.431 608 I N 3.997 124.623 120.570 0.094 0.000 2.530 608 I HA 0.260 4.433 4.170 0.006 0.000 0.297 608 I C -0.554 175.642 176.117 0.132 0.000 1.011 608 I CA -0.831 60.527 61.300 0.097 0.000 1.107 608 I CB 2.027 40.088 38.000 0.102 0.000 1.285 608 I HN 0.372 nan 8.210 nan 0.000 0.436 609 V N 3.007 122.985 119.914 0.106 0.000 2.472 609 V HA 1.006 5.129 4.120 0.006 0.000 0.290 609 V C -0.273 175.897 176.094 0.127 0.000 1.037 609 V CA -0.396 61.979 62.300 0.125 0.000 0.908 609 V CB 1.102 32.967 31.823 0.070 0.000 0.985 609 V HN 0.876 nan 8.190 nan 0.000 0.454 610 A N 3.468 126.382 122.820 0.158 0.000 2.469 610 A HA 1.106 5.429 4.320 0.006 0.000 0.299 610 A C -0.208 177.442 177.584 0.110 0.000 1.098 610 A CA -0.309 51.831 52.037 0.172 0.000 0.737 610 A CB 1.916 21.061 19.000 0.241 0.000 1.312 610 A HN 2.675 nan 8.150 nan 0.000 0.414 611 A N 0.068 122.941 122.820 0.089 0.000 2.590 611 A HA 0.665 4.989 4.320 0.006 0.000 0.294 611 A C -0.477 177.138 177.584 0.052 0.000 1.046 611 A CA -0.320 51.700 52.037 -0.028 0.000 0.684 611 A CB 0.314 19.256 19.000 -0.097 0.000 1.279 611 A HN 1.091 nan 8.150 nan 0.000 0.415 612 T N 1.422 116.005 114.554 0.047 0.000 2.794 612 T HA 0.474 4.827 4.350 0.006 0.000 0.296 612 T C 0.068 174.789 174.700 0.035 0.000 0.949 612 T CA -0.046 62.094 62.100 0.066 0.000 1.101 612 T CB 0.769 69.692 68.868 0.093 0.000 0.905 612 T HN 0.648 nan 8.240 nan 0.000 0.516 613 V N 3.486 123.428 119.914 0.047 0.000 2.532 613 V HA 0.734 4.857 4.120 0.006 0.000 0.295 613 V C 1.050 177.169 176.094 0.042 0.000 1.041 613 V CA 0.853 63.176 62.300 0.038 0.000 0.926 613 V CB 0.886 32.736 31.823 0.046 0.000 0.992 613 V HN 1.245 nan 8.190 nan 0.000 0.457 614 G N 4.585 113.405 108.800 0.033 0.000 2.603 614 G HA2 -0.197 3.766 3.960 0.006 0.000 0.245 614 G HA3 -0.197 3.766 3.960 0.006 0.000 0.245 614 G C 0.307 175.227 174.900 0.032 0.000 1.195 614 G CA 0.313 45.434 45.100 0.035 0.000 0.953 614 G HN 0.654 nan 8.290 nan 0.000 0.566 615 E N 1.228 121.453 120.200 0.041 0.000 2.419 615 E HA 0.191 4.545 4.350 0.006 0.000 0.190 615 E C -0.476 176.151 176.600 0.044 0.000 1.040 615 E CA -0.137 56.285 56.400 0.037 0.000 0.900 615 E CB 0.398 30.123 29.700 0.041 0.000 1.054 615 E HN 0.313 nan 8.360 nan 0.000 0.462 616 D N 1.309 121.743 120.400 0.057 0.000 2.359 616 D HA 0.042 4.685 4.640 0.006 0.000 0.230 616 D C 0.580 176.916 176.300 0.060 0.000 1.118 616 D CA -0.025 54.031 54.000 0.093 0.000 0.844 616 D CB 1.030 41.900 40.800 0.117 0.000 1.059 616 D HN -0.057 nan 8.370 nan 0.000 0.493 617 E N 1.838 122.041 120.200 0.004 0.000 2.442 617 E HA -0.042 4.311 4.350 0.006 0.000 0.195 617 E C -0.119 176.448 176.600 -0.055 0.000 1.030 617 E CA 0.130 56.498 56.400 -0.053 0.000 0.869 617 E CB 0.051 29.683 29.700 -0.113 0.000 0.857 617 E HN 0.566 nan 8.360 nan 0.000 0.505 618 H N 0.245 119.327 119.070 0.020 0.000 3.091 618 H HA -0.012 4.547 4.556 0.006 0.000 0.289 618 H C 1.424 176.776 175.328 0.041 0.000 0.995 618 H CA 0.698 56.759 56.048 0.022 0.000 1.461 618 H CB 0.635 30.405 29.762 0.013 0.000 1.510 618 H HN -0.016 nan 8.280 nan 0.000 0.546 619 S N 1.317 117.099 115.700 0.137 0.000 2.613 619 S HA -0.020 4.453 4.470 0.006 0.000 0.235 619 S C 1.827 176.480 174.600 0.088 0.000 1.073 619 S CA 0.184 58.462 58.200 0.130 0.000 0.899 619 S CB -0.048 63.229 63.200 0.129 0.000 0.818 619 S HN 0.334 nan 8.310 nan 0.000 0.484 620 V N 2.872 122.822 119.914 0.060 0.000 2.282 620 V HA -0.130 3.994 4.120 0.006 0.000 0.249 620 V C 2.903 178.997 176.094 0.001 0.000 1.057 620 V CA 2.340 64.649 62.300 0.014 0.000 1.032 620 V CB -1.653 30.176 31.823 0.010 0.000 0.645 620 V HN 0.657 nan 8.190 nan 0.000 0.447 621 G N -0.131 108.684 108.800 0.024 0.000 2.514 621 G HA2 -0.302 3.662 3.960 0.006 0.000 0.217 621 G HA3 -0.302 3.662 3.960 0.006 0.000 0.217 621 G C 1.563 176.469 174.900 0.010 0.000 1.198 621 G CA 1.290 46.398 45.100 0.014 0.000 0.780 621 G HN 0.442 nan 8.290 nan 0.000 0.565 622 L N 0.782 122.026 121.223 0.034 0.000 2.079 622 L HA 0.002 4.345 4.340 0.006 0.000 0.210 622 L C 2.782 179.637 176.870 -0.025 0.000 1.081 622 L CA 1.757 56.617 54.840 0.034 0.000 0.752 622 L CB -0.637 41.490 42.059 0.113 0.000 0.896 622 L HN 0.193 nan 8.230 nan 0.000 0.433 623 R N -0.760 119.699 120.500 -0.068 0.000 2.115 623 R HA -0.141 4.203 4.340 0.006 0.000 0.226 623 R C 2.111 178.350 176.300 -0.100 0.000 1.100 623 R CA 1.032 57.042 56.100 -0.151 0.000 0.980 623 R CB -0.198 29.986 30.300 -0.192 0.000 0.875 623 R HN 0.359 nan 8.270 nan 0.000 0.445 624 E N 0.701 120.859 120.200 -0.070 0.000 2.153 624 E HA -0.128 4.226 4.350 0.006 0.000 0.194 624 E C 1.482 178.060 176.600 -0.037 0.000 0.988 624 E CA 1.074 57.435 56.400 -0.066 0.000 0.811 624 E CB 0.222 29.879 29.700 -0.072 0.000 0.746 624 E HN 0.267 nan 8.360 nan 0.000 0.466 625 V N -1.853 118.040 119.914 -0.035 0.000 3.514 625 V HA 0.270 4.394 4.120 0.006 0.000 0.301 625 V C 1.319 177.392 176.094 -0.034 0.000 1.346 625 V CA 0.246 62.528 62.300 -0.029 0.000 1.156 625 V CB -0.288 31.507 31.823 -0.047 0.000 1.029 625 V HN 0.190 nan 8.190 nan 0.000 0.428 626 I N -0.798 119.739 120.570 -0.054 0.000 3.570 626 I HA 0.258 4.431 4.170 0.006 0.000 0.270 626 I C 0.447 176.520 176.117 -0.073 0.000 1.162 626 I CA -0.114 61.149 61.300 -0.062 0.000 1.413 626 I CB 0.143 38.086 38.000 -0.095 0.000 1.437 626 I HN 0.228 nan 8.210 nan 0.000 0.457 627 D N 1.718 122.067 120.400 -0.085 0.000 2.449 627 D HA -0.034 4.609 4.640 0.006 0.000 0.236 627 D C 0.896 177.163 176.300 -0.055 0.000 1.149 627 D CA 0.510 54.467 54.000 -0.072 0.000 0.878 627 D CB 1.368 42.130 40.800 -0.062 0.000 1.198 627 D HN 0.164 nan 8.370 nan 0.000 0.446 628 I N 1.183 121.715 120.570 -0.064 0.000 2.761 628 I HA -0.197 3.977 4.170 0.006 0.000 0.261 628 I C 1.999 178.082 176.117 -0.057 0.000 1.198 628 I CA 0.833 62.082 61.300 -0.084 0.000 1.482 628 I CB 0.170 38.113 38.000 -0.096 0.000 1.100 628 I HN 0.173 nan 8.210 nan 0.000 0.445 629 K N 1.089 121.486 120.400 -0.006 0.000 2.015 629 K HA -0.260 4.064 4.320 0.006 0.000 0.216 629 K C 0.884 177.483 176.600 -0.002 0.000 1.052 629 K CA 2.035 58.344 56.287 0.036 0.000 0.937 629 K CB -0.394 32.198 32.500 0.153 0.000 0.719 629 K HN 0.463 nan 8.250 nan 0.000 0.446 630 H N -1.298 117.737 119.070 -0.057 0.000 2.539 630 H HA 0.380 4.939 4.556 0.006 0.000 0.293 630 H C -0.268 175.025 175.328 -0.058 0.000 1.156 630 H CA 0.131 56.151 56.048 -0.046 0.000 1.012 630 H CB 0.264 30.008 29.762 -0.030 0.000 1.600 630 H HN 0.439 nan 8.280 nan 0.000 0.538 631 G N 0.773 109.555 108.800 -0.031 0.000 2.415 631 G HA2 -0.140 3.824 3.960 0.006 0.000 0.283 631 G HA3 -0.140 3.824 3.960 0.006 0.000 0.283 631 G C 0.475 175.327 174.900 -0.080 0.000 1.014 631 G CA 0.118 45.158 45.100 -0.099 0.000 1.323 631 G HN 0.734 nan 8.290 nan 0.000 0.502 632 G N -0.058 108.680 108.800 -0.104 0.000 2.461 632 G HA2 0.727 4.691 3.960 0.006 0.000 0.329 632 G HA3 0.727 4.691 3.960 0.006 0.000 0.329 632 G C 1.436 176.299 174.900 -0.063 0.000 1.170 632 G CA -0.500 44.568 45.100 -0.055 0.000 0.935 632 G HN 1.216 nan 8.290 nan 0.000 0.492 633 I N -1.010 119.591 120.570 0.053 0.000 2.229 633 I HA -0.288 3.886 4.170 0.006 0.000 0.250 633 I C 2.219 178.372 176.117 0.061 0.000 1.096 633 I CA 2.423 63.821 61.300 0.162 0.000 1.358 633 I CB -0.459 37.616 38.000 0.125 0.000 1.047 633 I HN 0.761 nan 8.210 nan 0.000 0.422 634 E N 2.638 122.827 120.200 -0.019 0.000 2.267 634 E HA -0.308 4.046 4.350 0.006 0.000 0.197 634 E C 2.134 178.680 176.600 -0.090 0.000 0.998 634 E CA 1.511 57.889 56.400 -0.037 0.000 0.830 634 E CB -0.383 29.287 29.700 -0.051 0.000 0.751 634 E HN 0.719 nan 8.360 nan 0.000 0.491 635 K N -0.018 120.251 120.400 -0.218 0.000 2.211 635 K HA -0.145 4.179 4.320 0.006 0.000 0.203 635 K C 0.827 177.224 176.600 -0.339 0.000 1.050 635 K CA 1.140 57.210 56.287 -0.361 0.000 0.945 635 K CB -0.041 32.096 32.500 -0.605 0.000 0.732 635 K HN 0.216 nan 8.250 nan 0.000 0.451 636 Y N -0.468 119.826 120.300 -0.011 0.000 2.466 636 Y HA 0.251 4.804 4.550 0.006 0.000 0.272 636 Y C 1.211 177.109 175.900 -0.004 0.000 1.169 636 Y CA 0.258 58.353 58.100 -0.007 0.000 1.285 636 Y CB 0.840 39.296 38.460 -0.006 0.000 1.078 636 Y HN 0.283 nan 8.280 nan 0.000 0.523 637 G N 0.037 108.893 108.800 0.093 0.000 2.130 637 G HA2 -0.235 3.728 3.960 0.006 0.000 0.216 637 G HA3 -0.235 3.728 3.960 0.006 0.000 0.216 637 G C -0.286 174.653 174.900 0.065 0.000 0.999 637 G CA -0.022 45.114 45.100 0.061 0.000 0.686 637 G HN 0.084 nan 8.290 nan 0.000 0.515 638 V N 0.961 120.923 119.914 0.080 0.000 2.508 638 V HA 0.241 4.364 4.120 0.006 0.000 0.281 638 V C 1.060 177.189 176.094 0.059 0.000 1.041 638 V CA 0.031 62.373 62.300 0.070 0.000 1.016 638 V CB 1.625 33.498 31.823 0.082 0.000 0.984 638 V HN 0.441 nan 8.190 nan 0.000 0.478 639 E N 4.537 124.778 120.200 0.069 0.000 2.029 639 E HA 0.197 4.551 4.350 0.006 0.000 0.276 639 E C -0.852 175.822 176.600 0.123 0.000 1.163 639 E CA -0.323 56.129 56.400 0.087 0.000 0.909 639 E CB 0.793 30.561 29.700 0.113 0.000 1.046 639 E HN 0.521 nan 8.360 nan 0.000 0.406 640 V N 5.781 125.743 119.914 0.080 0.000 2.465 640 V HA 0.116 4.240 4.120 0.006 0.000 0.279 640 V C 0.043 176.189 176.094 0.088 0.000 1.045 640 V CA -0.428 61.934 62.300 0.103 0.000 0.938 640 V CB 1.235 33.094 31.823 0.059 0.000 0.986 640 V HN 0.651 nan 8.190 nan 0.000 0.467 641 H N 4.507 123.628 119.070 0.086 0.000 2.638 641 H HA 0.268 4.827 4.556 0.006 0.000 0.303 641 H C -1.367 174.046 175.328 0.141 0.000 1.034 641 H CA -0.308 55.796 56.048 0.092 0.000 1.225 641 H CB 1.300 31.095 29.762 0.056 0.000 1.394 641 H HN 0.662 nan 8.280 nan 0.000 0.477 642 Y N 4.432 124.756 120.300 0.040 0.000 2.328 642 Y HA 0.159 4.713 4.550 0.006 0.000 0.337 642 Y C 0.118 176.041 175.900 0.038 0.000 1.008 642 Y CA -0.614 57.507 58.100 0.035 0.000 1.129 642 Y CB 0.748 39.211 38.460 0.005 0.000 1.185 642 Y HN 0.555 nan 8.280 nan 0.000 0.476 643 L N 5.258 126.174 121.223 -0.512 0.000 2.638 643 L HA 0.388 4.731 4.340 0.006 0.000 0.232 643 L C 1.082 177.652 176.870 -0.499 0.000 1.099 643 L CA 0.512 55.135 54.840 -0.362 0.000 0.883 643 L CB -0.334 41.620 42.059 -0.174 0.000 1.136 643 L HN 0.996 nan 8.230 nan 0.000 0.492 644 G N 0.931 109.110 108.800 -1.035 0.000 2.512 644 G HA2 -0.206 3.758 3.960 0.006 0.000 0.210 644 G HA3 -0.206 3.758 3.960 0.006 0.000 0.210 644 G C -0.157 174.576 174.900 -0.278 0.000 1.295 644 G CA -0.286 44.452 45.100 -0.604 0.000 0.934 644 G HN 0.186 nan 8.290 nan 0.000 0.554 645 T N -3.136 111.361 114.554 -0.095 0.000 2.950 645 T HA 0.689 5.043 4.350 0.006 0.000 0.288 645 T C 0.769 175.454 174.700 -0.026 0.000 1.035 645 T CA 0.814 62.901 62.100 -0.022 0.000 1.028 645 T CB 1.661 70.544 68.868 0.024 0.000 1.109 645 T HN 2.311 nan 8.240 nan 0.000 0.514 646 S N -0.342 115.356 115.700 -0.003 0.000 3.706 646 S HA -0.102 4.372 4.470 0.006 0.000 0.363 646 S C 0.012 174.605 174.600 -0.012 0.000 0.999 646 S CA 0.235 58.434 58.200 -0.001 0.000 1.143 646 S CB -1.636 61.561 63.200 -0.006 0.000 0.902 646 S HN 0.806 nan 8.310 nan 0.000 0.476 647 V N 2.434 122.338 119.914 -0.017 0.000 2.406 647 V HA 0.303 4.426 4.120 0.006 0.000 0.272 647 V C -1.797 174.295 176.094 -0.005 0.000 1.043 647 V CA -1.818 60.468 62.300 -0.023 0.000 0.915 647 V CB 1.225 33.022 31.823 -0.044 0.000 0.988 647 V HN 0.115 nan 8.190 nan 0.000 0.466 648 P HA 0.046 nan 4.420 nan 0.000 0.266 648 P C 1.105 178.410 177.300 0.008 0.000 1.195 648 P CA 0.166 63.269 63.100 0.006 0.000 0.768 648 P CB 0.756 32.458 31.700 0.003 0.000 0.838 649 V N 2.818 122.742 119.914 0.017 0.000 2.317 649 V HA -0.287 3.837 4.120 0.006 0.000 0.251 649 V C 2.259 178.362 176.094 0.016 0.000 1.065 649 V CA 2.463 64.776 62.300 0.022 0.000 1.049 649 V CB -0.851 30.989 31.823 0.029 0.000 0.651 649 V HN 0.691 nan 8.190 nan 0.000 0.450 650 E N -0.276 119.930 120.200 0.010 0.000 2.072 650 E HA -0.251 4.102 4.350 0.006 0.000 0.191 650 E C 2.148 178.750 176.600 0.002 0.000 0.985 650 E CA 1.377 57.780 56.400 0.006 0.000 0.801 650 E CB -0.112 29.590 29.700 0.003 0.000 0.750 650 E HN 0.425 nan 8.360 nan 0.000 0.452 651 K N 0.001 120.401 120.400 0.000 0.000 2.097 651 K HA -0.106 4.217 4.320 0.006 0.000 0.206 651 K C 1.858 178.456 176.600 -0.003 0.000 1.049 651 K CA 0.851 57.136 56.287 -0.004 0.000 0.933 651 K CB -0.343 32.152 32.500 -0.009 0.000 0.717 651 K HN 0.149 nan 8.250 nan 0.000 0.442 652 L N -0.100 121.124 121.223 0.001 0.000 2.093 652 L HA -0.113 4.231 4.340 0.006 0.000 0.208 652 L C 1.703 178.580 176.870 0.012 0.000 1.085 652 L CA 1.477 56.321 54.840 0.007 0.000 0.755 652 L CB -0.267 41.802 42.059 0.016 0.000 0.904 652 L HN -0.048 nan 8.230 nan 0.000 0.435 653 V N -0.470 119.451 119.914 0.011 0.000 2.283 653 V HA -0.229 3.894 4.120 0.006 0.000 0.243 653 V C 2.202 178.296 176.094 0.000 0.000 1.039 653 V CA 1.702 64.007 62.300 0.008 0.000 1.016 653 V CB -0.865 30.961 31.823 0.006 0.000 0.650 653 V HN 0.348 nan 8.190 nan 0.000 0.449 654 D N 0.778 121.177 120.400 -0.002 0.000 2.203 654 D HA -0.192 4.452 4.640 0.006 0.000 0.199 654 D C 2.077 178.371 176.300 -0.010 0.000 0.997 654 D CA 1.773 55.769 54.000 -0.006 0.000 0.863 654 D CB -0.270 40.526 40.800 -0.005 0.000 0.928 654 D HN 0.488 nan 8.370 nan 0.000 0.458 655 A N 0.457 123.271 122.820 -0.009 0.000 1.930 655 A HA 0.194 4.518 4.320 0.006 0.000 0.215 655 A C 2.254 179.821 177.584 -0.028 0.000 1.176 655 A CA 1.474 53.501 52.037 -0.015 0.000 0.632 655 A CB -0.508 18.489 19.000 -0.006 0.000 0.819 655 A HN 0.210 nan 8.150 nan 0.000 0.445 656 A N -0.143 122.668 122.820 -0.014 0.000 2.015 656 A HA 0.016 4.339 4.320 0.006 0.000 0.219 656 A C 2.021 179.591 177.584 -0.024 0.000 1.163 656 A CA 1.268 53.295 52.037 -0.017 0.000 0.646 656 A CB -0.508 18.496 19.000 0.007 0.000 0.806 656 A HN 0.497 nan 8.150 nan 0.000 0.448 657 I N -0.762 119.796 120.570 -0.019 0.000 2.130 657 I HA -0.233 3.940 4.170 0.006 0.000 0.232 657 I C 2.481 178.581 176.117 -0.029 0.000 1.064 657 I CA 1.556 62.844 61.300 -0.020 0.000 1.338 657 I CB -0.463 37.528 38.000 -0.014 0.000 1.084 657 I HN 0.514 nan 8.210 nan 0.000 0.404 658 E N 1.203 121.386 120.200 -0.029 0.000 2.324 658 E HA -0.253 4.100 4.350 0.006 0.000 0.205 658 E C 1.854 178.422 176.600 -0.053 0.000 1.031 658 E CA 1.379 57.759 56.400 -0.033 0.000 0.836 658 E CB -0.071 29.613 29.700 -0.026 0.000 0.742 658 E HN 0.534 nan 8.360 nan 0.000 0.491 659 L N -0.472 120.704 121.223 -0.079 0.000 2.664 659 L HA 0.164 4.508 4.340 0.006 0.000 0.233 659 L C 1.173 177.978 176.870 -0.107 0.000 1.113 659 L CA 0.086 54.846 54.840 -0.134 0.000 0.896 659 L CB 0.211 42.120 42.059 -0.249 0.000 1.163 659 L HN 0.066 nan 8.230 nan 0.000 0.497 660 K N 1.255 121.616 120.400 -0.065 0.000 3.218 660 K HA -0.165 4.158 4.320 0.006 0.000 0.276 660 K C 0.074 176.649 176.600 -0.043 0.000 1.173 660 K CA 0.324 56.585 56.287 -0.044 0.000 0.812 660 K CB -0.990 31.487 32.500 -0.037 0.000 1.275 660 K HN 0.292 nan 8.250 nan 0.000 0.504 661 A N 1.130 123.923 122.820 -0.046 0.000 2.520 661 A HA 0.086 4.409 4.320 0.006 0.000 0.245 661 A C 0.842 178.422 177.584 -0.007 0.000 1.072 661 A CA 0.300 52.320 52.037 -0.029 0.000 0.761 661 A CB 0.242 19.230 19.000 -0.020 0.000 1.004 661 A HN 0.394 nan 8.150 nan 0.000 0.499 662 D N 0.907 121.307 120.400 -0.000 0.000 2.289 662 D HA 0.275 4.919 4.640 0.006 0.000 0.207 662 D C 0.725 177.031 176.300 0.011 0.000 0.966 662 D CA 1.714 55.713 54.000 -0.001 0.000 0.868 662 D CB 0.315 41.108 40.800 -0.010 0.000 0.943 662 D HN 0.730 nan 8.370 nan 0.000 0.514 663 A N -0.161 122.678 122.820 0.032 0.000 2.602 663 A HA 0.681 5.005 4.320 0.006 0.000 0.290 663 A C -1.437 176.200 177.584 0.088 0.000 1.114 663 A CA -0.595 51.484 52.037 0.070 0.000 0.683 663 A CB 1.361 20.408 19.000 0.078 0.000 1.281 663 A HN -0.006 nan 8.150 nan 0.000 0.416 664 I N 0.589 121.232 120.570 0.121 0.000 2.545 664 I HA 0.436 4.610 4.170 0.006 0.000 0.292 664 I C -1.236 174.966 176.117 0.141 0.000 1.040 664 I CA -0.465 60.903 61.300 0.112 0.000 1.068 664 I CB 1.915 39.973 38.000 0.096 0.000 1.251 664 I HN 0.467 nan 8.210 nan 0.000 0.424 665 L N 5.902 127.198 121.223 0.122 0.000 2.343 665 L HA 0.703 5.046 4.340 0.006 0.000 0.278 665 L C -0.196 176.733 176.870 0.098 0.000 0.996 665 L CA -0.582 54.326 54.840 0.113 0.000 0.831 665 L CB 1.778 43.894 42.059 0.094 0.000 1.232 665 L HN 0.621 nan 8.230 nan 0.000 0.413 666 A N 2.181 125.057 122.820 0.093 0.000 2.304 666 A HA 0.632 4.956 4.320 0.006 0.000 0.323 666 A C -0.186 177.447 177.584 0.081 0.000 1.195 666 A CA -0.382 51.705 52.037 0.084 0.000 0.826 666 A CB 1.578 20.624 19.000 0.078 0.000 1.184 666 A HN 0.550 nan 8.150 nan 0.000 0.496 667 S N 1.104 116.855 115.700 0.084 0.000 2.499 667 S HA 0.563 5.037 4.470 0.006 0.000 0.279 667 S C -0.126 174.517 174.600 0.072 0.000 1.219 667 S CA -0.078 58.170 58.200 0.080 0.000 1.062 667 S CB 0.487 63.744 63.200 0.096 0.000 0.978 667 S HN 0.820 nan 8.310 nan 0.000 0.489 668 T N 6.699 121.289 114.554 0.061 0.000 3.038 668 T HA 0.403 4.756 4.350 0.006 0.000 0.344 668 T C 0.577 175.296 174.700 0.033 0.000 1.054 668 T CA -0.594 61.541 62.100 0.058 0.000 1.092 668 T CB -0.087 68.818 68.868 0.061 0.000 1.031 668 T HN 0.522 nan 8.240 nan 0.000 0.482 669 I N 3.769 124.339 120.570 0.001 0.000 2.685 669 I HA 0.316 4.490 4.170 0.006 0.000 0.251 669 I C 1.271 177.282 176.117 -0.177 0.000 1.102 669 I CA 0.312 61.552 61.300 -0.101 0.000 1.442 669 I CB -0.324 37.574 38.000 -0.170 0.000 1.194 669 I HN 0.614 nan 8.210 nan 0.000 0.448 670 I N 2.013 122.508 120.570 -0.125 0.000 2.618 670 I HA -0.078 4.096 4.170 0.006 0.000 0.284 670 I C 1.393 177.396 176.117 -0.190 0.000 1.146 670 I CA 0.284 61.516 61.300 -0.114 0.000 1.425 670 I CB 0.746 38.756 38.000 0.017 0.000 1.383 670 I HN 0.209 nan 8.210 nan 0.000 0.562 671 S N 3.773 119.287 115.700 -0.311 0.000 2.591 671 S HA -0.070 4.403 4.470 0.006 0.000 0.235 671 S C 0.686 175.087 174.600 -0.331 0.000 1.074 671 S CA -0.137 57.629 58.200 -0.724 0.000 0.925 671 S CB -0.387 62.301 63.200 -0.853 0.000 0.818 671 S HN 0.790 nan 8.310 nan 0.000 0.535 672 H N 3.556 122.494 119.070 -0.220 0.000 2.527 672 H HA -0.098 4.462 4.556 0.005 0.000 0.238 672 H C 0.016 175.315 175.328 -0.049 0.000 0.658 672 H CA 1.131 57.118 56.048 -0.101 0.000 1.429 672 H CB -1.368 28.357 29.762 -0.062 0.000 1.348 672 H HN 0.515 nan 8.280 nan 0.000 0.379 673 D N 3.201 123.393 120.400 -0.347 0.000 2.873 673 D HA -0.178 4.466 4.640 0.006 0.000 0.228 673 D C -0.183 176.075 176.300 -0.070 0.000 1.122 673 D CA 1.383 55.213 54.000 -0.284 0.000 0.758 673 D CB -1.247 39.260 40.800 -0.490 0.000 1.094 673 D HN 0.890 nan 8.370 nan 0.000 0.434 674 D N -1.554 118.876 120.400 0.049 0.000 2.955 674 D HA -0.264 4.379 4.640 0.006 0.000 0.226 674 D C 1.332 177.783 176.300 0.251 0.000 1.178 674 D CA 1.006 55.170 54.000 0.273 0.000 0.808 674 D CB -1.318 39.634 40.800 0.253 0.000 1.099 674 D HN 0.567 nan 8.370 nan 0.000 0.421 675 I N 0.646 121.300 120.570 0.140 0.000 2.454 675 I HA -0.262 3.911 4.170 0.006 0.000 0.254 675 I C 2.254 178.460 176.117 0.149 0.000 1.156 675 I CA 1.796 63.158 61.300 0.104 0.000 1.433 675 I CB -0.145 37.886 38.000 0.052 0.000 1.082 675 I HN 0.300 nan 8.210 nan 0.000 0.432 676 H N -0.978 118.034 119.070 -0.098 0.000 2.395 676 H HA -0.140 4.420 4.556 0.006 0.000 0.299 676 H C 1.732 176.969 175.328 -0.152 0.000 1.070 676 H CA 1.904 57.855 56.048 -0.160 0.000 1.356 676 H CB -1.533 28.068 29.762 -0.268 0.000 1.401 676 H HN 0.382 nan 8.280 nan 0.000 0.524 677 Y N 1.473 121.594 120.300 -0.299 0.000 2.243 677 Y HA 0.092 4.645 4.550 0.005 0.000 0.293 677 Y C 2.699 178.555 175.900 -0.072 0.000 1.124 677 Y CA 0.610 58.563 58.100 -0.245 0.000 1.159 677 Y CB -0.212 38.083 38.460 -0.275 0.000 1.008 677 Y HN 0.099 nan 8.280 nan 0.000 0.527 678 K N 0.117 120.596 120.400 0.132 0.000 2.089 678 K HA -0.216 4.108 4.320 0.006 0.000 0.210 678 K C 1.702 178.348 176.600 0.077 0.000 1.048 678 K CA 1.670 58.013 56.287 0.092 0.000 0.926 678 K CB -0.165 32.382 32.500 0.079 0.000 0.714 678 K HN 0.255 nan 8.250 nan 0.000 0.448 679 N N 0.362 119.105 118.700 0.073 0.000 2.270 679 N HA -0.056 4.687 4.740 0.006 0.000 0.181 679 N C 1.684 177.237 175.510 0.071 0.000 1.016 679 N CA 1.089 54.178 53.050 0.065 0.000 0.870 679 N CB -0.022 38.502 38.487 0.062 0.000 0.979 679 N HN 0.231 nan 8.380 nan 0.000 0.431 680 M N 0.733 120.378 119.600 0.076 0.000 2.086 680 M HA -0.156 4.327 4.480 0.006 0.000 0.261 680 M C 2.191 178.554 176.300 0.106 0.000 1.067 680 M CA 1.464 56.817 55.300 0.088 0.000 1.116 680 M CB -0.266 32.389 32.600 0.092 0.000 1.348 680 M HN -0.002 nan 8.290 nan 0.000 0.407 681 K N 0.606 121.064 120.400 0.096 0.000 1.991 681 K HA -0.168 4.156 4.320 0.006 0.000 0.212 681 K C 2.047 178.724 176.600 0.128 0.000 1.049 681 K CA 1.668 58.024 56.287 0.115 0.000 0.932 681 K CB -0.035 32.512 32.500 0.079 0.000 0.717 681 K HN 0.142 nan 8.250 nan 0.000 0.441 682 R N 0.433 120.984 120.500 0.085 0.000 2.113 682 R HA -0.190 4.153 4.340 0.006 0.000 0.244 682 R C 2.385 178.718 176.300 0.055 0.000 1.142 682 R CA 2.207 58.343 56.100 0.061 0.000 0.953 682 R CB -0.559 29.770 30.300 0.048 0.000 0.860 682 R HN 0.297 nan 8.270 nan 0.000 0.438 683 I N -0.719 119.893 120.570 0.071 0.000 2.099 683 I HA -0.342 3.832 4.170 0.006 0.000 0.239 683 I C 2.537 178.694 176.117 0.068 0.000 1.066 683 I CA 1.882 63.221 61.300 0.065 0.000 1.324 683 I CB -0.478 37.569 38.000 0.079 0.000 1.037 683 I HN 0.313 nan 8.210 nan 0.000 0.401 684 H N 1.253 120.344 119.070 0.034 0.000 2.400 684 H HA -0.239 4.321 4.556 0.006 0.000 0.295 684 H C 2.008 177.351 175.328 0.025 0.000 1.118 684 H CA 2.251 58.318 56.048 0.032 0.000 1.256 684 H CB -0.090 29.689 29.762 0.028 0.000 1.365 684 H HN 0.387 nan 8.280 nan 0.000 0.502 685 E N -0.252 119.854 120.200 -0.157 0.000 2.107 685 E HA -0.096 4.258 4.350 0.006 0.000 0.191 685 E C 2.395 178.909 176.600 -0.143 0.000 0.982 685 E CA 0.929 57.210 56.400 -0.198 0.000 0.809 685 E CB -0.026 29.657 29.700 -0.027 0.000 0.756 685 E HN 0.465 nan 8.360 nan 0.000 0.459 686 L N 0.715 121.893 121.223 -0.076 0.000 2.141 686 L HA -0.121 4.223 4.340 0.006 0.000 0.209 686 L C 2.423 179.255 176.870 -0.063 0.000 1.094 686 L CA 1.022 55.832 54.840 -0.050 0.000 0.763 686 L CB -0.211 41.837 42.059 -0.019 0.000 0.908 686 L HN 0.083 nan 8.230 nan 0.000 0.437 687 A N -1.285 121.488 122.820 -0.080 0.000 1.969 687 A HA -0.131 4.192 4.320 0.006 0.000 0.218 687 A C 2.344 179.864 177.584 -0.107 0.000 1.169 687 A CA 1.486 53.481 52.037 -0.069 0.000 0.635 687 A CB -0.655 18.323 19.000 -0.037 0.000 0.810 687 A HN 0.200 nan 8.150 nan 0.000 0.445 688 V N -0.078 119.716 119.914 -0.201 0.000 2.453 688 V HA -0.181 3.942 4.120 0.006 0.000 0.247 688 V C 2.444 178.479 176.094 -0.099 0.000 1.048 688 V CA 2.212 64.400 62.300 -0.186 0.000 1.049 688 V CB -0.209 31.429 31.823 -0.309 0.000 0.672 688 V HN 0.803 nan 8.190 nan 0.000 0.457 689 E N -0.605 119.543 120.200 -0.086 0.000 2.299 689 E HA -0.136 4.217 4.350 0.006 0.000 0.193 689 E C 1.633 178.212 176.600 -0.036 0.000 0.998 689 E CA 0.457 56.827 56.400 -0.050 0.000 0.851 689 E CB 0.193 29.867 29.700 -0.042 0.000 0.795 689 E HN 0.353 nan 8.360 nan 0.000 0.492 690 K N -0.298 120.080 120.400 -0.037 0.000 2.426 690 K HA 0.101 4.425 4.320 0.006 0.000 0.193 690 K C 1.118 177.705 176.600 -0.022 0.000 1.028 690 K CA 0.748 57.020 56.287 -0.025 0.000 1.047 690 K CB 0.496 32.983 32.500 -0.021 0.000 0.821 690 K HN 0.275 nan 8.250 nan 0.000 0.513 691 G N 2.349 111.133 108.800 -0.027 0.000 2.143 691 G HA2 -0.265 3.698 3.960 0.006 0.000 0.248 691 G HA3 -0.265 3.698 3.960 0.006 0.000 0.248 691 G C 0.688 175.581 174.900 -0.013 0.000 0.991 691 G CA 0.605 45.694 45.100 -0.019 0.000 0.689 691 G HN 0.475 nan 8.290 nan 0.000 0.522 692 I N -2.960 117.602 120.570 -0.014 0.000 4.057 692 I HA 0.449 4.623 4.170 0.006 0.000 0.334 692 I C 1.901 178.019 176.117 0.002 0.000 1.308 692 I CA 0.226 61.523 61.300 -0.005 0.000 1.125 692 I CB 0.159 38.157 38.000 -0.004 0.000 1.034 692 I HN 0.013 nan 8.210 nan 0.000 0.401 693 R N 3.128 123.623 120.500 -0.008 0.000 2.417 693 R HA -0.179 4.164 4.340 0.006 0.000 0.220 693 R C 0.631 176.953 176.300 0.037 0.000 1.128 693 R CA 1.720 57.823 56.100 0.004 0.000 1.048 693 R CB -0.783 29.494 30.300 -0.039 0.000 0.835 693 R HN 0.772 nan 8.270 nan 0.000 0.483 694 D N -2.625 117.791 120.400 0.026 0.000 2.594 694 D HA 0.057 4.700 4.640 0.006 0.000 0.256 694 D C -0.247 176.065 176.300 0.021 0.000 1.393 694 D CA -0.285 53.734 54.000 0.031 0.000 0.797 694 D CB -0.010 40.806 40.800 0.028 0.000 1.110 694 D HN 0.106 nan 8.370 nan 0.000 0.495 695 K N 0.303 120.713 120.400 0.017 0.000 2.792 695 K HA 0.447 4.771 4.320 0.006 0.000 0.207 695 K C -0.782 175.826 176.600 0.013 0.000 1.103 695 K CA -0.175 56.119 56.287 0.011 0.000 1.048 695 K CB 1.363 33.865 32.500 0.004 0.000 0.777 695 K HN 0.040 nan 8.250 nan 0.000 0.468 696 I N 1.280 121.866 120.570 0.027 0.000 2.571 696 I HA 0.275 4.448 4.170 0.006 0.000 0.286 696 I C -1.169 174.988 176.117 0.068 0.000 1.134 696 I CA -0.541 60.782 61.300 0.039 0.000 1.052 696 I CB 1.422 39.445 38.000 0.039 0.000 1.237 696 I HN 0.043 nan 8.210 nan 0.000 0.435 697 M N 7.118 126.759 119.600 0.069 0.000 2.250 697 M HA 0.520 5.003 4.480 0.006 0.000 0.344 697 M C -0.789 175.645 176.300 0.224 0.000 1.150 697 M CA -0.069 55.310 55.300 0.133 0.000 1.147 697 M CB 0.977 33.587 32.600 0.017 0.000 1.498 697 M HN 0.314 nan 8.290 nan 0.000 0.461 698 I N 1.293 122.055 120.570 0.320 0.000 2.447 698 I HA 0.571 4.745 4.170 0.006 0.000 0.287 698 I C 0.104 176.405 176.117 0.307 0.000 1.023 698 I CA -0.587 60.880 61.300 0.277 0.000 1.083 698 I CB 2.046 40.162 38.000 0.193 0.000 1.245 698 I HN 0.798 nan 8.210 nan 0.000 0.434 699 G N 4.402 113.360 108.800 0.263 0.000 2.453 699 G HA2 0.677 4.640 3.960 0.006 0.000 0.323 699 G HA3 0.677 4.640 3.960 0.006 0.000 0.323 699 G C -1.468 173.513 174.900 0.135 0.000 1.198 699 G CA -0.358 44.818 45.100 0.126 0.000 0.959 699 G HN 0.636 nan 8.290 nan 0.000 0.482 700 C N 0.025 119.425 119.300 0.167 0.000 2.608 700 C HA 0.895 5.358 4.460 0.006 0.000 0.325 700 C C 0.570 175.673 174.990 0.190 0.000 1.147 700 C CA -0.402 58.699 59.018 0.139 0.000 1.359 700 C CB 1.264 29.060 27.740 0.094 0.000 1.912 700 C HN 1.085 nan 8.230 nan 0.000 0.466 701 G N 0.866 109.748 108.800 0.138 0.000 2.569 701 G HA2 0.917 4.881 3.960 0.006 0.000 0.300 701 G HA3 0.917 4.881 3.960 0.006 0.000 0.300 701 G C -0.645 174.309 174.900 0.090 0.000 1.269 701 G CA -0.139 45.050 45.100 0.147 0.000 0.959 701 G HN 1.477 nan 8.290 nan 0.000 0.478 702 G N -1.559 107.290 108.800 0.081 0.000 2.358 702 G HA2 0.429 4.393 3.960 0.006 0.000 0.301 702 G HA3 0.429 4.393 3.960 0.006 0.000 0.301 702 G C 0.444 175.363 174.900 0.032 0.000 1.539 702 G CA 0.415 45.541 45.100 0.044 0.000 0.893 702 G HN 0.800 nan 8.290 nan 0.000 0.636 703 T N 0.499 115.048 114.554 -0.007 0.000 2.803 703 T HA -0.083 4.271 4.350 0.006 0.000 0.269 703 T C 1.363 176.063 174.700 0.000 0.000 1.052 703 T CA 1.597 63.688 62.100 -0.014 0.000 1.136 703 T CB -0.039 68.796 68.868 -0.054 0.000 0.864 703 T HN 0.412 nan 8.240 nan 0.000 0.467 704 Q N 0.967 120.768 119.800 0.003 0.000 2.241 704 Q HA 0.338 4.681 4.340 0.006 0.000 0.296 704 Q C -0.757 175.306 176.000 0.105 0.000 0.889 704 Q CA -0.035 55.788 55.803 0.034 0.000 1.089 704 Q CB 0.592 29.293 28.738 -0.062 0.000 1.195 704 Q HN 0.307 nan 8.270 nan 0.000 0.451 705 V N 1.371 121.331 119.914 0.077 0.000 2.347 705 V HA 0.295 4.419 4.120 0.006 0.000 0.280 705 V C 0.267 176.422 176.094 0.102 0.000 1.021 705 V CA -0.411 61.938 62.300 0.082 0.000 0.847 705 V CB 1.698 33.553 31.823 0.054 0.000 0.990 705 V HN 0.092 nan 8.190 nan 0.000 0.444 706 T N 8.729 123.382 114.554 0.165 0.000 2.727 706 T HA 0.209 4.562 4.350 0.006 0.000 0.298 706 T C -1.563 173.136 174.700 -0.003 0.000 0.942 706 T CA -0.980 61.159 62.100 0.065 0.000 0.997 706 T CB 1.534 70.438 68.868 0.060 0.000 0.917 706 T HN 0.453 nan 8.240 nan 0.000 0.487 707 P HA -0.190 nan 4.420 nan 0.000 0.217 707 P C 1.221 178.430 177.300 -0.151 0.000 1.158 707 P CA 1.302 64.295 63.100 -0.178 0.000 0.887 707 P CB 0.266 31.822 31.700 -0.239 0.000 0.792 708 E N -1.205 118.923 120.200 -0.120 0.000 2.150 708 E HA -0.085 4.268 4.350 0.006 0.000 0.193 708 E C 1.927 178.446 176.600 -0.136 0.000 0.985 708 E CA 0.769 57.099 56.400 -0.117 0.000 0.814 708 E CB -0.877 28.766 29.700 -0.094 0.000 0.752 708 E HN 0.075 nan 8.360 nan 0.000 0.466 709 V N 0.608 120.431 119.914 -0.150 0.000 2.591 709 V HA -0.097 4.027 4.120 0.006 0.000 0.249 709 V C 2.092 177.987 176.094 -0.331 0.000 1.053 709 V CA 1.418 63.555 62.300 -0.273 0.000 1.068 709 V CB -0.479 31.138 31.823 -0.344 0.000 0.689 709 V HN 0.327 nan 8.190 nan 0.000 0.462 710 A N 0.239 122.970 122.820 -0.148 0.000 1.898 710 A HA -0.124 4.199 4.320 0.006 0.000 0.216 710 A C 2.302 179.818 177.584 -0.113 0.000 1.181 710 A CA 1.801 53.805 52.037 -0.056 0.000 0.620 710 A CB -0.605 18.409 19.000 0.024 0.000 0.819 710 A HN 0.343 nan 8.150 nan 0.000 0.442 711 V N 0.554 120.388 119.914 -0.134 0.000 2.688 711 V HA -0.228 3.896 4.120 0.006 0.000 0.256 711 V C 2.335 178.342 176.094 -0.145 0.000 1.084 711 V CA 1.973 64.197 62.300 -0.128 0.000 1.103 711 V CB -0.681 31.072 31.823 -0.118 0.000 0.688 711 V HN 0.398 nan 8.190 nan 0.000 0.480 712 K N -0.288 120.012 120.400 -0.167 0.000 2.103 712 K HA -0.087 4.236 4.320 0.006 0.000 0.204 712 K C 2.113 178.604 176.600 -0.181 0.000 1.052 712 K CA 0.787 56.971 56.287 -0.172 0.000 0.945 712 K CB -0.399 31.989 32.500 -0.186 0.000 0.722 712 K HN 0.354 nan 8.250 nan 0.000 0.443 713 Q N -0.313 119.378 119.800 -0.182 0.000 2.443 713 Q HA -0.057 4.287 4.340 0.006 0.000 0.213 713 Q C 1.108 176.994 176.000 -0.191 0.000 0.982 713 Q CA 1.217 56.940 55.803 -0.133 0.000 0.894 713 Q CB -0.253 28.454 28.738 -0.052 0.000 0.947 713 Q HN 0.602 nan 8.270 nan 0.000 0.480 714 G N -1.059 107.561 108.800 -0.300 0.000 2.192 714 G HA2 -0.203 3.761 3.960 0.006 0.000 0.193 714 G HA3 -0.203 3.761 3.960 0.006 0.000 0.193 714 G C 0.126 174.740 174.900 -0.478 0.000 0.999 714 G CA 0.083 44.777 45.100 -0.677 0.000 0.659 714 G HN 0.413 nan 8.290 nan 0.000 0.503 715 V N -1.785 118.025 119.914 -0.173 0.000 2.863 715 V HA 0.748 4.872 4.120 0.006 0.000 0.307 715 V C 1.081 177.166 176.094 -0.014 0.000 1.061 715 V CA 0.274 62.559 62.300 -0.025 0.000 1.024 715 V CB 1.626 33.467 31.823 0.029 0.000 1.049 715 V HN -0.031 nan 8.190 nan 0.000 0.471 716 D N 2.058 122.501 120.400 0.072 0.000 2.183 716 D HA 0.267 4.911 4.640 0.006 0.000 0.203 716 D C 0.700 176.999 176.300 -0.001 0.000 0.969 716 D CA 1.890 55.963 54.000 0.121 0.000 0.842 716 D CB 0.444 41.435 40.800 0.320 0.000 0.957 716 D HN 1.002 nan 8.370 nan 0.000 0.484 717 A N -0.334 122.374 122.820 -0.185 0.000 2.574 717 A HA 0.643 4.966 4.320 0.006 0.000 0.297 717 A C -0.308 177.060 177.584 -0.361 0.000 1.062 717 A CA -0.316 51.431 52.037 -0.483 0.000 0.686 717 A CB 1.945 20.228 19.000 -1.196 0.000 1.285 717 A HN 0.054 nan 8.150 nan 0.000 0.403 718 G N -0.129 108.365 108.800 -0.509 0.000 2.482 718 G HA2 0.706 4.670 3.960 0.006 0.000 0.317 718 G HA3 0.706 4.670 3.960 0.006 0.000 0.317 718 G C -1.413 173.122 174.900 -0.609 0.000 1.241 718 G CA -0.510 44.407 45.100 -0.304 0.000 0.967 718 G HN 0.476 nan 8.290 nan 0.000 0.482 719 F N 0.755 120.665 119.950 -0.067 0.000 2.562 719 F HA 0.602 5.133 4.527 0.006 0.000 0.319 719 F C 0.758 176.554 175.800 -0.007 0.000 1.154 719 F CA -0.532 57.446 58.000 -0.037 0.000 0.931 719 F CB 2.551 41.538 39.000 -0.020 0.000 1.198 719 F HN 0.744 nan 8.300 nan 0.000 0.444 720 G N 1.837 110.708 108.800 0.118 0.000 2.828 720 G HA2 0.567 4.530 3.960 0.006 0.000 0.244 720 G HA3 0.567 4.530 3.960 0.006 0.000 0.244 720 G C -0.660 174.292 174.900 0.087 0.000 1.365 720 G CA -1.196 43.952 45.100 0.081 0.000 1.041 720 G HN 0.634 nan 8.290 nan 0.000 0.560 721 R N -0.853 119.681 120.500 0.056 0.000 2.697 721 R HA 0.377 4.721 4.340 0.006 0.000 0.265 721 R C 1.009 177.349 176.300 0.067 0.000 1.009 721 R CA 0.497 56.628 56.100 0.052 0.000 1.099 721 R CB -0.082 30.237 30.300 0.032 0.000 0.965 721 R HN 1.460 nan 8.270 nan 0.000 0.428 722 G N 1.266 110.115 108.800 0.081 0.000 2.143 722 G HA2 -0.314 3.650 3.960 0.006 0.000 0.248 722 G HA3 -0.314 3.650 3.960 0.006 0.000 0.248 722 G C -0.117 174.900 174.900 0.195 0.000 0.991 722 G CA 0.250 45.416 45.100 0.110 0.000 0.689 722 G HN 0.610 nan 8.290 nan 0.000 0.522 723 S N -0.039 115.789 115.700 0.214 0.000 2.564 723 S HA 0.537 5.010 4.470 0.006 0.000 0.278 723 S C 0.515 175.278 174.600 0.271 0.000 1.333 723 S CA 0.258 58.676 58.200 0.364 0.000 1.048 723 S CB 1.194 64.578 63.200 0.307 0.000 0.900 723 S HN 0.499 nan 8.310 nan 0.000 0.505 724 K N 0.745 121.272 120.400 0.211 0.000 2.340 724 K HA 0.543 4.867 4.320 0.006 0.000 0.244 724 K C 1.454 177.988 176.600 -0.110 0.000 0.973 724 K CA -0.419 55.822 56.287 -0.076 0.000 0.828 724 K CB 0.798 33.167 32.500 -0.219 0.000 1.226 724 K HN 0.537 nan 8.250 nan 0.000 0.437 725 G N 1.255 110.038 108.800 -0.027 0.000 2.505 725 G HA2 -0.293 3.671 3.960 0.006 0.000 0.220 725 G HA3 -0.293 3.671 3.960 0.006 0.000 0.220 725 G C 1.350 176.313 174.900 0.106 0.000 1.145 725 G CA 1.406 46.537 45.100 0.051 0.000 0.761 725 G HN 0.580 nan 8.290 nan 0.000 0.571 726 I N 1.188 121.789 120.570 0.053 0.000 2.053 726 I HA -0.282 3.891 4.170 0.006 0.000 0.236 726 I C 2.608 178.695 176.117 -0.051 0.000 1.038 726 I CA 2.220 63.497 61.300 -0.039 0.000 1.304 726 I CB -0.913 37.032 38.000 -0.092 0.000 1.023 726 I HN 0.464 nan 8.210 nan 0.000 0.395 727 H N -1.001 118.151 119.070 0.137 0.000 2.466 727 H HA -0.131 4.429 4.556 0.006 0.000 0.297 727 H C 1.943 177.457 175.328 0.310 0.000 1.113 727 H CA 1.435 57.617 56.048 0.223 0.000 1.273 727 H CB -0.509 29.436 29.762 0.305 0.000 1.371 727 H HN 0.351 nan 8.280 nan 0.000 0.528 728 V N 0.250 120.274 119.914 0.182 0.000 2.685 728 V HA -0.005 4.119 4.120 0.006 0.000 0.244 728 V C 2.574 178.767 176.094 0.166 0.000 1.054 728 V CA 1.032 63.356 62.300 0.041 0.000 1.076 728 V CB -0.593 31.066 31.823 -0.273 0.000 0.725 728 V HN 0.550 nan 8.190 nan 0.000 0.467 729 A N 1.057 123.917 122.820 0.066 0.000 1.933 729 A HA -0.185 4.139 4.320 0.006 0.000 0.218 729 A C 2.380 179.941 177.584 -0.038 0.000 1.175 729 A CA 2.498 54.523 52.037 -0.020 0.000 0.628 729 A CB -0.925 17.952 19.000 -0.205 0.000 0.814 729 A HN 0.535 nan 8.150 nan 0.000 0.444 730 T N -0.366 114.197 114.554 0.015 0.000 2.737 730 T HA -0.145 4.209 4.350 0.006 0.000 0.265 730 T C 1.659 176.436 174.700 0.129 0.000 1.038 730 T CA 1.431 63.559 62.100 0.046 0.000 1.144 730 T CB -0.570 68.350 68.868 0.086 0.000 0.866 730 T HN 0.580 nan 8.240 nan 0.000 0.434 731 F N 2.350 122.380 119.950 0.134 0.000 2.154 731 F HA -0.078 4.453 4.527 0.007 0.000 0.301 731 F C 1.774 177.638 175.800 0.107 0.000 1.087 731 F CA 1.008 59.108 58.000 0.167 0.000 1.274 731 F CB -0.738 38.482 39.000 0.366 0.000 1.009 731 F HN 0.052 nan 8.300 nan 0.000 0.485 732 L N 0.244 121.221 121.223 -0.411 0.000 2.005 732 L HA -0.151 4.193 4.340 0.006 0.000 0.207 732 L C 2.814 179.511 176.870 -0.289 0.000 1.072 732 L CA 1.469 55.994 54.840 -0.525 0.000 0.744 732 L CB -1.008 40.913 42.059 -0.230 0.000 0.895 732 L HN 0.304 nan 8.230 nan 0.000 0.433 733 V N -1.925 117.896 119.914 -0.155 0.000 2.515 733 V HA -0.225 3.898 4.120 0.006 0.000 0.250 733 V C 2.423 178.462 176.094 -0.091 0.000 1.058 733 V CA 1.630 63.867 62.300 -0.105 0.000 1.064 733 V CB -0.431 31.346 31.823 -0.077 0.000 0.675 733 V HN 0.368 nan 8.190 nan 0.000 0.461 734 K N 0.835 121.187 120.400 -0.080 0.000 1.973 734 K HA -0.166 4.157 4.320 0.006 0.000 0.210 734 K C 2.295 178.861 176.600 -0.057 0.000 1.045 734 K CA 1.992 58.255 56.287 -0.040 0.000 0.937 734 K CB -0.320 32.189 32.500 0.016 0.000 0.721 734 K HN 0.464 nan 8.250 nan 0.000 0.438 735 K N 1.169 121.505 120.400 -0.105 0.000 2.360 735 K HA -0.163 4.161 4.320 0.006 0.000 0.201 735 K C 1.880 178.419 176.600 -0.102 0.000 1.046 735 K CA 1.216 57.445 56.287 -0.097 0.000 0.940 735 K CB -0.081 32.315 32.500 -0.173 0.000 0.748 735 K HN 0.111 nan 8.250 nan 0.000 0.465 736 R N 0.364 120.790 120.500 -0.123 0.000 2.052 736 R HA -0.042 4.302 4.340 0.006 0.000 0.226 736 R C 1.947 178.216 176.300 -0.051 0.000 1.145 736 R CA 1.145 57.191 56.100 -0.089 0.000 0.952 736 R CB -0.205 30.038 30.300 -0.095 0.000 0.847 736 R HN 0.130 nan 8.270 nan 0.000 0.431 737 R N 0.766 121.239 120.500 -0.044 0.000 2.097 737 R HA -0.205 4.139 4.340 0.006 0.000 0.236 737 R C 2.371 178.659 176.300 -0.019 0.000 1.135 737 R CA 2.106 58.190 56.100 -0.027 0.000 0.934 737 R CB -0.608 29.678 30.300 -0.023 0.000 0.846 737 R HN 0.463 nan 8.270 nan 0.000 0.431 738 E N 0.454 120.643 120.200 -0.018 0.000 2.233 738 E HA -0.254 4.099 4.350 0.006 0.000 0.199 738 E C 1.821 178.417 176.600 -0.005 0.000 1.004 738 E CA 1.398 57.794 56.400 -0.007 0.000 0.819 738 E CB 0.065 29.765 29.700 -0.000 0.000 0.738 738 E HN 0.342 nan 8.360 nan 0.000 0.478 739 M N -0.179 119.414 119.600 -0.012 0.000 2.142 739 M HA 0.017 4.501 4.480 0.006 0.000 0.256 739 M C 1.947 178.243 176.300 -0.006 0.000 1.098 739 M CA 1.312 56.608 55.300 -0.007 0.000 1.151 739 M CB -0.345 32.248 32.600 -0.012 0.000 1.299 739 M HN -0.009 nan 8.290 nan 0.000 0.431 740 R N 0.000 120.494 120.500 -0.011 0.000 2.786 740 R HA 0.000 4.344 4.340 0.006 0.000 0.208 740 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 740 R CB 0.000 30.293 30.300 -0.011 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535