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 2aj8_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.641 174.600 0.069 0.000 1.055 39 S CA 0.000 58.238 58.200 0.063 0.000 1.107 39 S CB 0.000 63.231 63.200 0.051 0.000 0.593 40 R N 1.238 121.788 120.500 0.083 0.000 2.828 40 R HA 0.727 5.067 4.340 -0.000 0.000 0.264 40 R C -0.084 176.268 176.300 0.087 0.000 1.022 40 R CA -1.055 55.095 56.100 0.083 0.000 1.021 40 R CB 1.053 31.404 30.300 0.084 0.000 1.163 40 R HN 0.229 nan 8.270 nan 0.000 0.494 41 R N 0.605 121.162 120.500 0.095 0.000 2.738 41 R HA 0.086 4.426 4.340 -0.000 0.000 0.268 41 R C -0.531 175.832 176.300 0.105 0.000 1.062 41 R CA 0.226 56.390 56.100 0.106 0.000 1.158 41 R CB 0.683 31.062 30.300 0.132 0.000 1.046 41 R HN 0.889 nan 8.270 nan 0.000 0.493 42 T N -0.301 114.319 114.554 0.110 0.000 2.952 42 T HA 0.190 4.540 4.350 -0.000 0.000 0.286 42 T C -0.682 174.110 174.700 0.154 0.000 1.024 42 T CA -0.679 61.487 62.100 0.111 0.000 1.029 42 T CB 0.892 69.820 68.868 0.100 0.000 1.094 42 T HN 0.539 nan 8.240 nan 0.000 0.515 43 Y N 2.691 123.001 120.300 0.016 0.000 2.436 43 Y HA 0.391 4.941 4.550 -0.000 0.000 0.343 43 Y C 0.907 176.914 175.900 0.178 0.000 1.008 43 Y CA -0.305 57.803 58.100 0.013 0.000 1.241 43 Y CB -0.042 38.360 38.460 -0.097 0.000 1.153 43 Y HN 1.030 nan 8.280 nan 0.000 0.521 44 T N 2.638 117.132 114.554 -0.101 0.000 2.897 44 T HA 0.167 4.517 4.350 -0.000 0.000 0.278 44 T C 0.921 175.521 174.700 -0.167 0.000 0.981 44 T CA -0.679 61.450 62.100 0.048 0.000 0.973 44 T CB 1.143 70.027 68.868 0.028 0.000 1.092 44 T HN 0.671 nan 8.240 nan 0.000 0.543 45 L N 0.790 121.770 121.223 -0.405 0.000 2.046 45 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 45 L C 2.611 179.328 176.870 -0.256 0.000 1.077 45 L CA 2.177 56.602 54.840 -0.692 0.000 0.747 45 L CB -1.586 39.990 42.059 -0.806 0.000 0.896 45 L HN 0.949 nan 8.230 nan 0.000 0.432 46 T N -0.338 114.107 114.554 -0.181 0.000 2.746 46 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 46 T C 1.510 176.149 174.700 -0.100 0.000 1.039 46 T CA 1.510 63.543 62.100 -0.111 0.000 1.142 46 T CB -0.408 68.420 68.868 -0.067 0.000 0.866 46 T HN 0.420 nan 8.240 nan 0.000 0.444 47 D N 0.131 120.450 120.400 -0.135 0.000 2.133 47 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 47 D C 1.767 178.030 176.300 -0.060 0.000 0.997 47 D CA 1.204 55.146 54.000 -0.097 0.000 0.840 47 D CB -0.366 40.280 40.800 -0.256 0.000 0.947 47 D HN 0.441 nan 8.370 nan 0.000 0.452 48 Y N 1.415 121.543 120.300 -0.287 0.000 2.163 48 Y HA -0.079 4.470 4.550 -0.000 0.000 0.288 48 Y C 2.226 178.148 175.900 0.037 0.000 1.136 48 Y CA 1.109 59.216 58.100 0.012 0.000 1.147 48 Y CB -0.516 37.989 38.460 0.076 0.000 0.987 48 Y HN -0.104 nan 8.280 nan 0.000 0.509 49 L N -0.110 120.939 121.223 -0.291 0.000 2.141 49 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 49 L C 1.875 178.648 176.870 -0.163 0.000 1.094 49 L CA 1.182 55.825 54.840 -0.329 0.000 0.763 49 L CB -0.420 41.514 42.059 -0.208 0.000 0.908 49 L HN 0.032 nan 8.230 nan 0.000 0.437 50 K N -0.416 119.925 120.400 -0.100 0.000 2.404 50 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 50 K C 0.711 177.295 176.600 -0.026 0.000 1.023 50 K CA 0.026 56.281 56.287 -0.053 0.000 1.094 50 K CB 0.337 32.810 32.500 -0.044 0.000 0.841 50 K HN 0.041 nan 8.250 nan 0.000 0.523 51 S N 1.052 116.750 115.700 -0.004 0.000 3.631 51 S HA -0.146 4.324 4.470 -0.000 0.000 0.366 51 S C 1.250 175.903 174.600 0.087 0.000 0.993 51 S CA 0.988 59.239 58.200 0.084 0.000 1.167 51 S CB -1.774 61.456 63.200 0.050 0.000 0.909 51 S HN 0.640 nan 8.310 nan 0.000 0.478 52 T N -2.275 112.319 114.554 0.067 0.000 2.881 52 T HA 0.009 4.359 4.350 -0.000 0.000 0.270 52 T C 0.396 174.956 174.700 -0.234 0.000 1.068 52 T CA 0.826 62.856 62.100 -0.116 0.000 1.131 52 T CB -0.364 68.363 68.868 -0.236 0.000 0.871 52 T HN 0.429 nan 8.240 nan 0.000 0.479 53 F N 2.190 122.238 119.950 0.162 0.000 2.313 53 F HA 0.582 5.109 4.527 -0.000 0.000 0.369 53 F C 0.507 176.417 175.800 0.183 0.000 1.109 53 F CA -1.454 56.664 58.000 0.196 0.000 1.132 53 F CB 0.775 39.959 39.000 0.307 0.000 1.291 53 F HN -0.130 nan 8.300 nan 0.000 0.496 54 R N 2.407 123.038 120.500 0.218 0.000 2.265 54 R HA 0.474 4.814 4.340 -0.000 0.000 0.314 54 R C -1.284 175.139 176.300 0.204 0.000 1.053 54 R CA -0.369 55.839 56.100 0.180 0.000 0.931 54 R CB 0.656 31.005 30.300 0.082 0.000 1.024 54 R HN 0.415 nan 8.270 nan 0.000 0.457 55 V N 6.195 126.258 119.914 0.247 0.000 2.385 55 V HA 0.293 4.413 4.120 -0.000 0.000 0.269 55 V C 0.355 176.585 176.094 0.227 0.000 1.043 55 V CA -0.453 62.012 62.300 0.275 0.000 0.906 55 V CB 1.041 33.088 31.823 0.374 0.000 0.995 55 V HN 0.692 nan 8.190 nan 0.000 0.467 56 K N 4.594 125.068 120.400 0.124 0.000 2.090 56 K HA 0.751 5.071 4.320 -0.000 0.000 0.249 56 K C -0.667 175.950 176.600 0.027 0.000 0.995 56 K CA -0.274 55.972 56.287 -0.068 0.000 0.914 56 K CB 1.435 33.859 32.500 -0.126 0.000 1.057 56 K HN 0.596 nan 8.250 nan 0.000 0.462 57 F N -1.590 118.283 119.950 -0.128 0.000 2.824 57 F HA 0.510 5.037 4.527 -0.000 0.000 0.330 57 F C -1.349 174.096 175.800 -0.592 0.000 1.175 57 F CA -1.336 56.325 58.000 -0.566 0.000 0.974 57 F CB 0.855 39.724 39.000 -0.219 0.000 1.430 57 F HN 0.365 nan 8.300 nan 0.000 0.507 58 Y N 0.693 120.514 120.300 -0.799 0.000 2.400 58 Y HA 0.474 5.024 4.550 0.000 0.000 0.335 58 Y C -1.032 174.864 175.900 -0.006 0.000 1.066 58 Y CA -0.649 57.259 58.100 -0.320 0.000 1.285 58 Y CB 1.354 39.532 38.460 -0.471 0.000 1.103 58 Y HN 0.743 nan 8.280 nan 0.000 0.490 59 T N 7.081 121.725 114.554 0.149 0.000 2.743 59 T HA 0.542 4.892 4.350 -0.000 0.000 0.293 59 T C -0.656 174.095 174.700 0.085 0.000 0.945 59 T CA -0.307 61.884 62.100 0.151 0.000 1.030 59 T CB 0.058 69.028 68.868 0.171 0.000 0.912 59 T HN 0.504 nan 8.240 nan 0.000 0.483 60 L N 1.650 122.897 121.223 0.039 0.000 2.309 60 L HA 0.735 5.075 4.340 -0.000 0.000 0.261 60 L C -0.623 176.227 176.870 -0.033 0.000 1.021 60 L CA -1.048 53.773 54.840 -0.032 0.000 0.823 60 L CB 1.530 43.343 42.059 -0.411 0.000 1.366 60 L HN 0.378 nan 8.230 nan 0.000 0.423 61 Q N 0.947 120.768 119.800 0.036 0.000 2.339 61 Q HA 0.350 4.690 4.340 -0.000 0.000 0.268 61 Q C -1.776 174.312 176.000 0.147 0.000 1.027 61 Q CA -0.211 55.656 55.803 0.107 0.000 0.759 61 Q CB 1.494 30.323 28.738 0.151 0.000 1.244 61 Q HN 0.659 nan 8.270 nan 0.000 0.464 62 W N 4.251 125.669 121.300 0.198 0.000 2.303 62 W HA 0.129 4.789 4.660 -0.000 0.000 0.318 62 W C 1.186 177.797 176.519 0.152 0.000 1.362 62 W CA -0.268 57.199 57.345 0.203 0.000 1.234 62 W CB 0.496 30.072 29.460 0.194 0.000 1.248 62 W HN 0.656 nan 8.180 nan 0.000 0.546 63 I N 0.947 121.748 120.570 0.385 0.000 4.147 63 I HA 0.372 4.542 4.170 -0.000 0.000 0.329 63 I C 0.384 176.602 176.117 0.167 0.000 1.424 63 I CA -0.216 61.210 61.300 0.209 0.000 1.127 63 I CB -0.179 37.869 38.000 0.080 0.000 1.128 63 I HN 0.235 nan 8.210 nan 0.000 0.417 64 S N 0.295 116.128 115.700 0.220 0.000 2.683 64 S HA 0.176 4.646 4.470 -0.000 0.000 0.269 64 S C -0.086 174.632 174.600 0.198 0.000 1.165 64 S CA 0.021 58.313 58.200 0.154 0.000 0.840 64 S CB 0.878 64.099 63.200 0.035 0.000 1.169 64 S HN 0.268 nan 8.310 nan 0.000 0.490 65 D N 0.283 120.824 120.400 0.235 0.000 2.371 65 D HA -0.055 4.585 4.640 -0.000 0.000 0.221 65 D C 1.050 177.572 176.300 0.371 0.000 0.986 65 D CA 1.519 55.658 54.000 0.232 0.000 0.899 65 D CB -0.604 40.330 40.800 0.223 0.000 0.902 65 D HN 0.860 nan 8.370 nan 0.000 0.530 66 H N -2.056 117.151 119.070 0.228 0.000 3.566 66 H HA 0.411 4.967 4.556 -0.000 0.000 0.259 66 H C -0.688 174.785 175.328 0.242 0.000 1.184 66 H CA -0.454 55.719 56.048 0.208 0.000 1.107 66 H CB -0.236 29.600 29.762 0.124 0.000 1.726 66 H HN 0.031 nan 8.280 nan 0.000 0.743 67 E N 1.068 121.292 120.200 0.039 0.000 2.288 67 E HA 0.479 4.829 4.350 -0.000 0.000 0.268 67 E C -1.529 175.225 176.600 0.257 0.000 0.885 67 E CA -1.211 55.189 56.400 -0.001 0.000 0.767 67 E CB 2.790 32.355 29.700 -0.225 0.000 1.220 67 E HN 0.307 nan 8.360 nan 0.000 0.427 68 Y N -0.573 119.729 120.300 0.003 0.000 2.562 68 Y HA 0.621 5.171 4.550 -0.000 0.000 0.345 68 Y C -1.670 174.227 175.900 -0.006 0.000 1.045 68 Y CA -1.384 56.642 58.100 -0.123 0.000 1.028 68 Y CB 0.825 38.877 38.460 -0.679 0.000 1.297 68 Y HN 0.340 nan 8.280 nan 0.000 0.463 69 L N 3.424 124.790 121.223 0.238 0.000 2.343 69 L HA 0.509 4.849 4.340 -0.000 0.000 0.275 69 L C -1.248 175.877 176.870 0.425 0.000 1.056 69 L CA -1.007 53.970 54.840 0.228 0.000 0.804 69 L CB 1.512 43.648 42.059 0.129 0.000 1.203 69 L HN 0.798 nan 8.230 nan 0.000 0.440 70 Y N 2.543 122.998 120.300 0.258 0.000 2.433 70 Y HA 0.330 4.880 4.550 -0.000 0.000 0.337 70 Y C -0.849 175.124 175.900 0.122 0.000 1.026 70 Y CA -1.186 57.007 58.100 0.155 0.000 1.037 70 Y CB 1.623 40.167 38.460 0.141 0.000 1.245 70 Y HN 0.435 nan 8.280 nan 0.000 0.443 71 K N 5.424 125.457 120.400 -0.612 0.000 2.253 71 K HA 0.350 4.670 4.320 -0.000 0.000 0.277 71 K C -1.208 174.942 176.600 -0.749 0.000 1.053 71 K CA -0.493 55.519 56.287 -0.458 0.000 0.892 71 K CB 0.925 33.333 32.500 -0.153 0.000 1.102 71 K HN 0.876 nan 8.250 nan 0.000 0.469 72 Q N 3.400 122.978 119.800 -0.370 0.000 2.331 72 Q HA 0.117 4.457 4.340 -0.000 0.000 0.267 72 Q C -0.488 175.449 176.000 -0.105 0.000 1.006 72 Q CA -0.118 55.562 55.803 -0.205 0.000 0.818 72 Q CB 1.248 30.035 28.738 0.081 0.000 1.276 72 Q HN 0.861 nan 8.270 nan 0.000 0.450 73 E N 2.126 122.261 120.200 -0.108 0.000 4.179 73 E HA -0.405 3.945 4.350 -0.000 0.000 0.195 73 E C 0.152 176.686 176.600 -0.110 0.000 1.268 73 E CA 1.709 58.059 56.400 -0.083 0.000 2.263 73 E CB -0.738 28.937 29.700 -0.041 0.000 1.863 73 E HN 0.700 nan 8.360 nan 0.000 0.334 74 N N 0.475 119.125 118.700 -0.083 0.000 1.872 74 N HA 0.055 4.795 4.740 -0.000 0.000 0.223 74 N C -1.537 174.014 175.510 0.069 0.000 1.424 74 N CA 0.181 53.174 53.050 -0.094 0.000 0.710 74 N CB 0.467 38.911 38.487 -0.072 0.000 1.074 74 N HN 0.156 nan 8.380 nan 0.000 0.544 75 N N 0.586 119.313 118.700 0.045 0.000 2.466 75 N HA 0.462 5.201 4.740 -0.000 0.000 0.294 75 N C -0.332 175.204 175.510 0.043 0.000 1.129 75 N CA -0.194 52.907 53.050 0.085 0.000 0.931 75 N CB 1.695 40.209 38.487 0.043 0.000 1.193 75 N HN 0.014 nan 8.380 nan 0.000 0.500 76 I N 1.584 122.188 120.570 0.057 0.000 2.304 76 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 76 I C -0.503 175.680 176.117 0.110 0.000 1.018 76 I CA -0.578 60.728 61.300 0.010 0.000 1.260 76 I CB 0.470 38.432 38.000 -0.063 0.000 1.390 76 I HN 0.232 nan 8.210 nan 0.000 0.475 77 L N 6.616 127.922 121.223 0.139 0.000 2.325 77 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 77 L C -0.570 176.373 176.870 0.120 0.000 1.023 77 L CA -0.899 54.020 54.840 0.132 0.000 0.811 77 L CB 1.886 44.065 42.059 0.200 0.000 1.249 77 L HN 0.409 nan 8.230 nan 0.000 0.431 78 L N 2.742 123.946 121.223 -0.031 0.000 2.282 78 L HA 0.554 4.894 4.340 -0.000 0.000 0.288 78 L C -1.224 175.473 176.870 -0.288 0.000 1.033 78 L CA 0.250 55.039 54.840 -0.086 0.000 0.807 78 L CB 0.943 42.995 42.059 -0.011 0.000 1.209 78 L HN 0.225 nan 8.230 nan 0.000 0.423 79 F N 3.911 123.599 119.950 -0.437 0.000 2.482 79 F HA 0.436 4.963 4.527 -0.000 0.000 0.331 79 F C 0.333 175.836 175.800 -0.495 0.000 1.115 79 F CA -0.562 57.090 58.000 -0.580 0.000 0.955 79 F CB 1.590 39.867 39.000 -1.205 0.000 1.136 79 F HN 0.492 nan 8.300 nan 0.000 0.452 80 N N 2.433 121.061 118.700 -0.120 0.000 2.485 80 N HA 0.312 5.052 4.740 -0.000 0.000 0.243 80 N C 0.369 175.844 175.510 -0.059 0.000 0.987 80 N CA 0.046 53.056 53.050 -0.066 0.000 0.940 80 N CB 1.783 40.288 38.487 0.029 0.000 1.122 80 N HN 0.792 nan 8.380 nan 0.000 0.509 81 A N 3.342 126.091 122.820 -0.119 0.000 2.015 81 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 81 A C 1.850 179.228 177.584 -0.344 0.000 1.163 81 A CA 1.163 53.053 52.037 -0.245 0.000 0.646 81 A CB -0.249 18.503 19.000 -0.413 0.000 0.806 81 A HN 0.827 nan 8.150 nan 0.000 0.448 82 E N -1.316 118.709 120.200 -0.292 0.000 2.028 82 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 82 E C 1.271 177.797 176.600 -0.124 0.000 0.984 82 E CA 1.199 57.476 56.400 -0.205 0.000 0.800 82 E CB -0.196 29.285 29.700 -0.365 0.000 0.758 82 E HN 0.649 nan 8.360 nan 0.000 0.448 83 Y N -0.651 119.684 120.300 0.058 0.000 2.511 83 Y HA 0.279 4.829 4.550 -0.000 0.000 0.279 83 Y C 1.691 177.604 175.900 0.022 0.000 1.157 83 Y CA 0.506 58.630 58.100 0.040 0.000 1.300 83 Y CB 0.489 38.972 38.460 0.039 0.000 1.052 83 Y HN 0.337 nan 8.280 nan 0.000 0.529 84 G N 0.506 109.384 108.800 0.129 0.000 2.212 84 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.266 84 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.266 84 G C 0.424 175.369 174.900 0.075 0.000 0.978 84 G CA 0.448 45.601 45.100 0.089 0.000 0.632 84 G HN 0.475 nan 8.290 nan 0.000 0.537 85 N N 0.673 119.415 118.700 0.071 0.000 2.413 85 N HA 0.687 5.427 4.740 -0.000 0.000 0.266 85 N C 0.115 175.559 175.510 -0.109 0.000 1.238 85 N CA 0.542 53.590 53.050 -0.002 0.000 0.972 85 N CB 1.451 39.949 38.487 0.017 0.000 1.210 85 N HN 1.054 nan 8.380 nan 0.000 0.547 86 S N -2.267 113.299 115.700 -0.223 0.000 2.671 86 S HA 0.803 5.273 4.470 -0.000 0.000 0.277 86 S C -1.220 173.202 174.600 -0.297 0.000 1.165 86 S CA -0.710 57.221 58.200 -0.448 0.000 0.822 86 S CB 0.983 63.528 63.200 -1.092 0.000 1.150 86 S HN 1.235 nan 8.310 nan 0.000 0.479 87 S N -0.158 115.366 115.700 -0.292 0.000 2.580 87 S HA 0.473 4.943 4.470 -0.000 0.000 0.281 87 S C -0.944 173.599 174.600 -0.095 0.000 1.129 87 S CA -1.110 56.999 58.200 -0.151 0.000 0.862 87 S CB -0.005 63.146 63.200 -0.081 0.000 1.090 87 S HN 0.880 nan 8.310 nan 0.000 0.451 88 I N 2.563 123.098 120.570 -0.058 0.000 2.752 88 I HA 0.052 4.222 4.170 -0.000 0.000 0.289 88 I C 0.764 176.908 176.117 0.044 0.000 1.197 88 I CA 0.215 61.511 61.300 -0.007 0.000 1.432 88 I CB 0.196 38.181 38.000 -0.025 0.000 1.359 88 I HN 0.829 nan 8.210 nan 0.000 0.571 89 F N 7.199 127.109 119.950 -0.066 0.000 2.505 89 F HA 0.315 4.842 4.527 -0.000 0.000 0.289 89 F C 0.159 175.922 175.800 -0.061 0.000 1.101 89 F CA 0.098 58.065 58.000 -0.055 0.000 1.446 89 F CB 0.649 39.626 39.000 -0.038 0.000 1.123 89 F HN 0.317 nan 8.300 nan 0.000 0.564 90 L N 1.371 122.605 121.223 0.019 0.000 2.737 90 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 90 L C -1.102 175.716 176.870 -0.086 0.000 0.949 90 L CA -0.461 54.317 54.840 -0.103 0.000 0.952 90 L CB 1.277 43.285 42.059 -0.086 0.000 1.337 90 L HN -0.030 nan 8.230 nan 0.000 0.430 91 E N 2.412 122.543 120.200 -0.115 0.000 2.408 91 E HA 0.152 4.502 4.350 -0.000 0.000 0.259 91 E C 0.693 177.236 176.600 -0.095 0.000 1.110 91 E CA 0.097 56.450 56.400 -0.078 0.000 0.929 91 E CB 0.348 30.001 29.700 -0.078 0.000 0.971 91 E HN 0.582 nan 8.360 nan 0.000 0.438 92 N N 0.646 119.351 118.700 0.009 0.000 2.515 92 N HA -0.075 4.665 4.740 -0.000 0.000 0.191 92 N C 0.155 175.671 175.510 0.011 0.000 1.182 92 N CA 0.307 53.435 53.050 0.129 0.000 0.879 92 N CB 0.076 38.639 38.487 0.126 0.000 0.984 92 N HN 0.160 nan 8.380 nan 0.000 0.453 93 S N -0.552 115.101 115.700 -0.079 0.000 2.489 93 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 93 S C 1.430 175.933 174.600 -0.161 0.000 0.995 93 S CA 0.645 58.788 58.200 -0.095 0.000 0.934 93 S CB 0.014 63.164 63.200 -0.082 0.000 0.771 93 S HN 0.459 nan 8.310 nan 0.000 0.522 94 T N 1.302 115.680 114.554 -0.294 0.000 3.054 94 T HA 0.197 4.547 4.350 -0.000 0.000 0.259 94 T C 1.033 175.411 174.700 -0.535 0.000 1.092 94 T CA 0.448 62.286 62.100 -0.436 0.000 1.121 94 T CB -0.168 68.319 68.868 -0.635 0.000 0.912 94 T HN 0.312 nan 8.240 nan 0.000 0.489 95 F N 1.971 121.729 119.950 -0.320 0.000 2.187 95 F HA 0.080 4.607 4.527 -0.000 0.000 0.295 95 F C 2.252 177.854 175.800 -0.329 0.000 1.091 95 F CA 0.282 58.045 58.000 -0.396 0.000 1.308 95 F CB -0.436 38.367 39.000 -0.328 0.000 1.030 95 F HN 0.086 nan 8.300 nan 0.000 0.487 96 D N 0.421 120.788 120.400 -0.055 0.000 2.123 96 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 96 D C 1.389 177.598 176.300 -0.151 0.000 0.992 96 D CA 1.218 55.161 54.000 -0.095 0.000 0.833 96 D CB -0.426 40.332 40.800 -0.070 0.000 0.954 96 D HN 0.421 nan 8.370 nan 0.000 0.455 97 E N 0.074 120.175 120.200 -0.164 0.000 2.482 97 E HA 0.034 4.384 4.350 -0.000 0.000 0.200 97 E C 0.034 176.496 176.600 -0.229 0.000 1.147 97 E CA 0.060 56.363 56.400 -0.162 0.000 0.912 97 E CB 0.063 29.687 29.700 -0.125 0.000 0.938 97 E HN 0.272 nan 8.360 nan 0.000 0.519 98 L N -0.139 120.875 121.223 -0.348 0.000 2.341 98 L HA 0.352 4.692 4.340 -0.000 0.000 0.278 98 L C 0.965 177.429 176.870 -0.676 0.000 1.005 98 L CA -0.798 53.666 54.840 -0.627 0.000 0.818 98 L CB 1.799 43.307 42.059 -0.918 0.000 1.259 98 L HN -0.045 nan 8.230 nan 0.000 0.418 99 G N 2.966 111.382 108.800 -0.639 0.000 3.392 99 G HA2 0.298 4.258 3.960 -0.000 0.000 0.247 99 G HA3 0.298 4.258 3.960 -0.000 0.000 0.247 99 G C -0.532 174.211 174.900 -0.262 0.000 1.161 99 G CA 0.325 45.216 45.100 -0.349 0.000 1.739 99 G HN 0.589 nan 8.290 nan 0.000 0.619 100 Y N -4.037 116.159 120.300 -0.173 0.000 2.765 100 Y HA 0.552 5.102 4.550 -0.000 0.000 0.350 100 Y C -0.451 175.383 175.900 -0.110 0.000 1.196 100 Y CA -2.142 55.871 58.100 -0.146 0.000 1.119 100 Y CB 0.147 38.448 38.460 -0.266 0.000 1.368 100 Y HN -0.120 nan 8.280 nan 0.000 0.463 101 S N 1.291 117.135 115.700 0.240 0.000 2.488 101 S HA 0.351 4.821 4.470 -0.000 0.000 0.278 101 S C -0.319 174.418 174.600 0.229 0.000 1.259 101 S CA -0.254 58.024 58.200 0.131 0.000 1.061 101 S CB 0.155 63.395 63.200 0.066 0.000 0.910 101 S HN 0.565 nan 8.310 nan 0.000 0.491 102 T N 4.508 119.135 114.554 0.121 0.000 2.723 102 T HA 0.110 4.460 4.350 -0.000 0.000 0.297 102 T C 1.517 176.226 174.700 0.014 0.000 0.925 102 T CA -0.501 61.678 62.100 0.132 0.000 1.030 102 T CB 0.307 69.163 68.868 -0.019 0.000 0.905 102 T HN 0.601 nan 8.240 nan 0.000 0.502 103 N N 2.858 121.598 118.700 0.067 0.000 2.109 103 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 103 N C 0.105 175.632 175.510 0.028 0.000 1.034 103 N CA 1.170 54.218 53.050 -0.003 0.000 0.846 103 N CB 0.383 38.858 38.487 -0.019 0.000 1.010 103 N HN 0.574 nan 8.380 nan 0.000 0.425 104 D N -1.891 118.591 120.400 0.137 0.000 2.609 104 D HA 0.259 4.899 4.640 -0.000 0.000 0.239 104 D C -1.465 175.062 176.300 0.378 0.000 1.229 104 D CA -0.540 53.565 54.000 0.176 0.000 0.808 104 D CB 1.119 41.991 40.800 0.120 0.000 1.448 104 D HN 0.177 nan 8.370 nan 0.000 0.433 105 Y N -0.654 119.844 120.300 0.330 0.000 2.570 105 Y HA 0.801 5.351 4.550 -0.000 0.000 0.345 105 Y C -1.064 175.035 175.900 0.331 0.000 1.014 105 Y CA -1.050 57.319 58.100 0.448 0.000 1.063 105 Y CB 1.990 40.800 38.460 0.583 0.000 1.272 105 Y HN 0.157 nan 8.280 nan 0.000 0.477 106 S N 2.253 118.215 115.700 0.437 0.000 2.706 106 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 106 S C -1.801 173.116 174.600 0.529 0.000 1.163 106 S CA -0.620 57.809 58.200 0.382 0.000 1.042 106 S CB 0.503 63.904 63.200 0.334 0.000 1.079 106 S HN 0.719 nan 8.310 nan 0.000 0.474 107 V N 4.974 125.116 119.914 0.380 0.000 2.583 107 V HA 0.436 4.556 4.120 -0.000 0.000 0.287 107 V C 0.933 176.937 176.094 -0.150 0.000 1.051 107 V CA -0.440 61.971 62.300 0.184 0.000 1.010 107 V CB 1.413 33.324 31.823 0.147 0.000 0.988 107 V HN 0.989 nan 8.190 nan 0.000 0.478 108 S N 6.631 121.947 115.700 -0.639 0.000 2.572 108 S HA 0.183 4.653 4.470 -0.000 0.000 0.279 108 S C -1.186 173.154 174.600 -0.434 0.000 1.341 108 S CA -0.737 56.731 58.200 -1.220 0.000 1.043 108 S CB 0.825 63.120 63.200 -1.508 0.000 0.887 108 S HN 0.652 nan 8.310 nan 0.000 0.516 109 P HA -0.133 nan 4.420 nan 0.000 0.219 109 P C 0.550 177.805 177.300 -0.074 0.000 1.146 109 P CA 1.479 64.513 63.100 -0.109 0.000 0.808 109 P CB -0.280 31.380 31.700 -0.066 0.000 0.779 110 D N -1.378 118.970 120.400 -0.088 0.000 2.339 110 D HA -0.019 4.621 4.640 -0.000 0.000 0.217 110 D C 0.648 176.940 176.300 -0.014 0.000 1.050 110 D CA -0.304 53.683 54.000 -0.021 0.000 0.856 110 D CB -0.603 40.212 40.800 0.025 0.000 0.922 110 D HN -0.012 nan 8.370 nan 0.000 0.518 111 R N -1.099 119.379 120.500 -0.037 0.000 3.953 111 R HA -0.242 4.098 4.340 -0.000 0.000 0.340 111 R C 0.915 177.191 176.300 -0.040 0.000 1.195 111 R CA 1.324 57.451 56.100 0.045 0.000 0.929 111 R CB -2.394 28.001 30.300 0.159 0.000 1.402 111 R HN 0.353 nan 8.270 nan 0.000 0.540 112 Q N -0.976 118.723 119.800 -0.168 0.000 2.398 112 Q HA 0.162 4.502 4.340 -0.000 0.000 0.204 112 Q C -0.201 175.331 176.000 -0.779 0.000 0.932 112 Q CA 0.709 56.242 55.803 -0.451 0.000 0.916 112 Q CB 0.415 28.845 28.738 -0.512 0.000 1.024 112 Q HN 0.195 nan 8.270 nan 0.000 0.504 113 F N -0.552 119.276 119.950 -0.203 0.000 2.613 113 F HA 0.533 5.061 4.527 0.000 0.000 0.314 113 F C -0.716 175.048 175.800 -0.061 0.000 1.075 113 F CA -1.243 56.679 58.000 -0.129 0.000 0.945 113 F CB 1.792 40.723 39.000 -0.116 0.000 1.310 113 F HN -0.221 nan 8.300 nan 0.000 0.467 114 I N 2.533 123.288 120.570 0.308 0.000 2.569 114 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 114 I C -1.925 174.259 176.117 0.112 0.000 1.088 114 I CA -0.991 60.419 61.300 0.184 0.000 1.047 114 I CB 1.532 39.502 38.000 -0.050 0.000 1.237 114 I HN 0.503 nan 8.210 nan 0.000 0.421 115 L N 8.236 129.653 121.223 0.323 0.000 2.276 115 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 115 L C -1.466 175.534 176.870 0.217 0.000 1.061 115 L CA 0.367 55.351 54.840 0.240 0.000 0.807 115 L CB 0.726 42.916 42.059 0.219 0.000 1.177 115 L HN 0.411 nan 8.230 nan 0.000 0.429 116 F N 3.844 124.058 119.950 0.440 0.000 2.426 116 F HA 0.378 4.905 4.527 -0.000 0.000 0.348 116 F C 0.279 176.285 175.800 0.343 0.000 1.124 116 F CA -0.764 57.500 58.000 0.439 0.000 1.008 116 F CB 1.569 40.852 39.000 0.471 0.000 1.139 116 F HN 0.452 nan 8.300 nan 0.000 0.452 117 E N 5.246 125.710 120.200 0.440 0.000 2.133 117 E HA 0.336 4.686 4.350 -0.000 0.000 0.274 117 E C -1.602 174.987 176.600 -0.019 0.000 0.930 117 E CA -0.522 55.852 56.400 -0.042 0.000 0.770 117 E CB 1.128 30.855 29.700 0.045 0.000 1.104 117 E HN 0.592 nan 8.360 nan 0.000 0.403 118 Y N 1.809 121.866 120.300 -0.406 0.000 2.715 118 Y HA 0.453 5.003 4.550 -0.000 0.000 0.331 118 Y C 0.094 175.812 175.900 -0.303 0.000 1.197 118 Y CA -1.588 56.301 58.100 -0.351 0.000 1.079 118 Y CB 0.570 38.614 38.460 -0.694 0.000 1.298 118 Y HN 0.536 nan 8.280 nan 0.000 0.477 119 N N 0.245 118.839 118.700 -0.178 0.000 2.758 119 N HA -0.284 4.456 4.740 -0.000 0.000 0.248 119 N C -1.090 174.341 175.510 -0.131 0.000 1.076 119 N CA 0.654 53.600 53.050 -0.173 0.000 0.696 119 N CB -0.956 37.299 38.487 -0.387 0.000 0.979 119 N HN 0.870 nan 8.380 nan 0.000 0.550 120 Y N 0.105 120.293 120.300 -0.187 0.000 2.632 120 Y HA 0.215 4.765 4.550 0.000 0.000 0.329 120 Y C 0.217 176.058 175.900 -0.098 0.000 1.174 120 Y CA 0.206 58.203 58.100 -0.173 0.000 1.469 120 Y CB 0.616 38.935 38.460 -0.236 0.000 1.242 120 Y HN 0.002 nan 8.280 nan 0.000 0.540 121 V N 8.037 127.811 119.914 -0.233 0.000 2.357 121 V HA 0.175 4.295 4.120 -0.000 0.000 0.281 121 V C -0.181 175.773 176.094 -0.235 0.000 1.015 121 V CA -1.318 60.907 62.300 -0.125 0.000 0.827 121 V CB 1.036 32.796 31.823 -0.104 0.000 1.018 121 V HN 0.703 nan 8.190 nan 0.000 0.432 122 K N 3.703 124.056 120.400 -0.079 0.000 2.414 122 K HA 0.204 4.524 4.320 -0.000 0.000 0.272 122 K C 0.387 176.894 176.600 -0.156 0.000 0.993 122 K CA 0.249 56.517 56.287 -0.032 0.000 0.964 122 K CB 1.219 33.838 32.500 0.198 0.000 0.925 122 K HN 0.795 nan 8.250 nan 0.000 0.487 123 Q N 2.781 122.424 119.800 -0.261 0.000 2.362 123 Q HA 0.179 4.519 4.340 -0.000 0.000 0.190 123 Q C -0.089 175.661 176.000 -0.416 0.000 0.763 123 Q CA -0.458 54.962 55.803 -0.638 0.000 0.681 123 Q CB 0.168 28.316 28.738 -0.984 0.000 2.020 123 Q HN 0.739 nan 8.270 nan 0.000 0.483 124 W N 0.411 121.700 121.300 -0.018 0.000 1.945 124 W HA 0.331 4.991 4.660 -0.000 0.000 0.606 124 W C 1.756 178.253 176.519 -0.036 0.000 1.803 124 W CA -0.517 56.842 57.345 0.022 0.000 1.990 124 W CB -0.085 29.343 29.460 -0.054 0.000 2.848 124 W HN 0.345 nan 8.180 nan 0.000 0.771 125 R N -0.529 120.057 120.500 0.144 0.000 2.096 125 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 125 R C 1.598 177.754 176.300 -0.241 0.000 1.127 125 R CA 1.992 58.015 56.100 -0.129 0.000 0.968 125 R CB -0.464 29.631 30.300 -0.342 0.000 0.861 125 R HN 0.494 nan 8.270 nan 0.000 0.440 126 H N -0.877 118.253 119.070 0.100 0.000 2.927 126 H HA 0.204 4.760 4.556 -0.000 0.000 0.255 126 H C 0.552 175.953 175.328 0.122 0.000 0.974 126 H CA 0.519 56.649 56.048 0.138 0.000 1.199 126 H CB 0.323 30.146 29.762 0.101 0.000 1.447 126 H HN 0.235 nan 8.280 nan 0.000 0.467 127 S N 1.053 116.726 115.700 -0.044 0.000 2.603 127 S HA 0.424 4.894 4.470 -0.000 0.000 0.268 127 S C -0.302 174.124 174.600 -0.289 0.000 1.317 127 S CA -0.444 57.429 58.200 -0.544 0.000 1.012 127 S CB 1.067 63.337 63.200 -1.550 0.000 0.926 127 S HN 0.454 nan 8.310 nan 0.000 0.539 128 Y N -2.622 117.428 120.300 -0.417 0.000 2.810 128 Y HA 0.615 5.165 4.550 0.000 0.000 0.355 128 Y C -0.918 174.836 175.900 -0.243 0.000 1.211 128 Y CA -0.820 57.023 58.100 -0.428 0.000 1.112 128 Y CB 0.434 38.454 38.460 -0.733 0.000 1.383 128 Y HN 0.947 nan 8.280 nan 0.000 0.458 129 T N -0.047 114.488 114.554 -0.032 0.000 2.924 129 T HA 1.022 5.372 4.350 -0.000 0.000 0.291 129 T C -0.567 174.154 174.700 0.035 0.000 1.045 129 T CA -0.083 62.028 62.100 0.017 0.000 1.015 129 T CB 1.784 70.638 68.868 -0.023 0.000 1.103 129 T HN 1.949 nan 8.240 nan 0.000 0.496 130 A N 0.999 123.828 122.820 0.016 0.000 2.581 130 A HA 0.809 5.129 4.320 -0.000 0.000 0.290 130 A C -0.632 176.685 177.584 -0.446 0.000 1.119 130 A CA -0.955 50.931 52.037 -0.252 0.000 0.670 130 A CB 1.149 19.965 19.000 -0.308 0.000 1.280 130 A HN 0.863 nan 8.150 nan 0.000 0.425 131 S N -0.726 114.440 115.700 -0.890 0.000 2.593 131 S HA 0.793 5.263 4.470 -0.000 0.000 0.297 131 S C -1.632 172.275 174.600 -1.154 0.000 1.112 131 S CA -0.067 57.572 58.200 -0.934 0.000 1.043 131 S CB 0.677 63.096 63.200 -1.301 0.000 1.054 131 S HN 0.430 nan 8.310 nan 0.000 0.516 132 Y N 0.409 120.546 120.300 -0.272 0.000 2.442 132 Y HA 0.465 5.015 4.550 -0.000 0.000 0.344 132 Y C -0.326 175.661 175.900 0.146 0.000 0.976 132 Y CA -1.015 57.070 58.100 -0.026 0.000 1.040 132 Y CB 1.531 39.917 38.460 -0.124 0.000 1.228 132 Y HN 0.461 nan 8.280 nan 0.000 0.451 133 D N 2.795 123.468 120.400 0.455 0.000 2.498 133 D HA 0.512 5.152 4.640 -0.000 0.000 0.247 133 D C -0.754 175.754 176.300 0.347 0.000 1.070 133 D CA -0.307 53.940 54.000 0.412 0.000 0.842 133 D CB 2.345 43.474 40.800 0.548 0.000 1.361 133 D HN 0.411 nan 8.370 nan 0.000 0.484 134 I N 2.156 122.870 120.570 0.240 0.000 2.336 134 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 134 I C -0.707 175.593 176.117 0.305 0.000 0.991 134 I CA -0.943 60.490 61.300 0.222 0.000 1.227 134 I CB 1.086 39.149 38.000 0.106 0.000 1.366 134 I HN 0.229 nan 8.210 nan 0.000 0.466 135 Y N 5.736 126.123 120.300 0.144 0.000 2.335 135 Y HA 0.266 4.816 4.550 -0.000 0.000 0.338 135 Y C -0.105 175.908 175.900 0.188 0.000 0.977 135 Y CA -0.709 57.472 58.100 0.136 0.000 1.114 135 Y CB 1.115 39.606 38.460 0.051 0.000 1.182 135 Y HN 0.499 nan 8.280 nan 0.000 0.463 136 D N 6.680 126.936 120.400 -0.240 0.000 2.352 136 D HA 0.074 4.714 4.640 -0.000 0.000 0.245 136 D C 0.650 176.610 176.300 -0.567 0.000 1.224 136 D CA 0.270 54.084 54.000 -0.309 0.000 0.879 136 D CB 0.859 41.538 40.800 -0.201 0.000 1.057 136 D HN 0.878 nan 8.370 nan 0.000 0.491 137 L N 3.499 124.479 121.223 -0.405 0.000 2.291 137 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 137 L C 2.080 178.770 176.870 -0.299 0.000 1.120 137 L CA 0.300 54.992 54.840 -0.248 0.000 0.799 137 L CB -0.252 41.691 42.059 -0.194 0.000 0.925 137 L HN 0.364 nan 8.230 nan 0.000 0.446 138 N N 1.520 119.991 118.700 -0.380 0.000 2.083 138 N HA -0.150 4.590 4.740 -0.000 0.000 0.190 138 N C 1.503 176.874 175.510 -0.232 0.000 1.047 138 N CA 1.374 54.252 53.050 -0.288 0.000 0.845 138 N CB -0.153 38.152 38.487 -0.304 0.000 1.025 138 N HN 0.448 nan 8.380 nan 0.000 0.428 139 K N 1.427 121.676 120.400 -0.252 0.000 2.476 139 K HA 0.195 4.515 4.320 -0.000 0.000 0.196 139 K C -0.250 176.212 176.600 -0.230 0.000 1.025 139 K CA -0.154 56.015 56.287 -0.198 0.000 1.138 139 K CB 0.064 32.466 32.500 -0.164 0.000 0.860 139 K HN -0.017 nan 8.250 nan 0.000 0.515 140 R N 1.435 121.760 120.500 -0.293 0.000 3.118 140 R HA -0.223 4.117 4.340 -0.000 0.000 0.238 140 R C -0.966 175.110 176.300 -0.373 0.000 0.884 140 R CA 0.885 56.806 56.100 -0.297 0.000 0.601 140 R CB -1.788 28.473 30.300 -0.066 0.000 1.009 140 R HN 0.613 nan 8.270 nan 0.000 0.478 141 Q N -0.076 119.346 119.800 -0.631 0.000 2.416 141 Q HA 0.474 4.814 4.340 -0.000 0.000 0.281 141 Q C -0.894 174.842 176.000 -0.441 0.000 1.067 141 Q CA -1.040 54.541 55.803 -0.371 0.000 0.809 141 Q CB 2.542 31.175 28.738 -0.175 0.000 1.418 141 Q HN 0.252 nan 8.270 nan 0.000 0.411 142 L N 2.516 123.698 121.223 -0.068 0.000 2.281 142 L HA 0.337 4.677 4.340 -0.000 0.000 0.285 142 L C -0.805 176.111 176.870 0.075 0.000 1.074 142 L CA -0.760 54.155 54.840 0.124 0.000 0.817 142 L CB 0.457 42.687 42.059 0.285 0.000 1.168 142 L HN 0.599 nan 8.230 nan 0.000 0.434 143 I N 4.703 125.327 120.570 0.091 0.000 2.792 143 I HA -0.097 4.073 4.170 -0.000 0.000 0.284 143 I C 1.605 177.758 176.117 0.061 0.000 1.166 143 I CA 0.856 62.195 61.300 0.065 0.000 1.375 143 I CB 0.674 38.709 38.000 0.058 0.000 1.421 143 I HN 0.712 nan 8.210 nan 0.000 0.544 144 T N 1.718 116.296 114.554 0.041 0.000 3.044 144 T HA 0.138 4.488 4.350 -0.000 0.000 0.250 144 T C 0.501 175.210 174.700 0.015 0.000 1.081 144 T CA -0.309 61.813 62.100 0.037 0.000 1.040 144 T CB -0.102 68.785 68.868 0.032 0.000 0.962 144 T HN 0.518 nan 8.240 nan 0.000 0.506 145 E N 1.762 121.965 120.200 0.005 0.000 2.191 145 E HA 0.290 4.640 4.350 -0.000 0.000 0.278 145 E C -0.397 176.188 176.600 -0.024 0.000 0.972 145 E CA -0.619 55.776 56.400 -0.008 0.000 0.804 145 E CB 0.914 30.611 29.700 -0.005 0.000 1.110 145 E HN 0.120 nan 8.360 nan 0.000 0.394 146 E N 0.775 120.951 120.200 -0.039 0.000 2.513 146 E HA -0.190 4.160 4.350 -0.000 0.000 0.257 146 E C 0.230 176.775 176.600 -0.092 0.000 1.098 146 E CA 0.721 57.082 56.400 -0.064 0.000 0.752 146 E CB -1.237 28.434 29.700 -0.049 0.000 1.324 146 E HN 0.791 nan 8.360 nan 0.000 0.403 147 R N 0.409 120.861 120.500 -0.081 0.000 2.873 147 R HA 0.138 4.478 4.340 -0.000 0.000 0.267 147 R C 0.588 176.774 176.300 -0.191 0.000 1.009 147 R CA 0.029 56.076 56.100 -0.089 0.000 1.152 147 R CB 0.159 30.440 30.300 -0.031 0.000 1.047 147 R HN 0.155 nan 8.270 nan 0.000 0.470 148 I N 2.566 123.003 120.570 -0.221 0.000 2.496 148 I HA 0.108 4.278 4.170 -0.000 0.000 0.285 148 I C -1.628 174.279 176.117 -0.349 0.000 1.080 148 I CA -2.037 59.011 61.300 -0.420 0.000 1.404 148 I CB 0.810 38.559 38.000 -0.418 0.000 1.403 148 I HN 0.437 nan 8.210 nan 0.000 0.539 149 P HA -0.038 nan 4.420 nan 0.000 0.266 149 P C -0.698 176.501 177.300 -0.168 0.000 1.186 149 P CA 0.063 62.896 63.100 -0.444 0.000 0.767 149 P CB 0.286 31.410 31.700 -0.960 0.000 0.820 150 N N 2.836 121.507 118.700 -0.048 0.000 2.444 150 N HA 0.018 4.758 4.740 -0.000 0.000 0.255 150 N C 0.516 176.129 175.510 0.172 0.000 1.255 150 N CA 0.200 53.264 53.050 0.023 0.000 0.933 150 N CB -0.152 38.353 38.487 0.031 0.000 1.143 150 N HN 0.415 nan 8.380 nan 0.000 0.453 151 N N -0.808 117.951 118.700 0.098 0.000 2.741 151 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 151 N C -0.801 174.851 175.510 0.237 0.000 1.115 151 N CA 0.760 53.886 53.050 0.127 0.000 0.724 151 N CB -1.660 36.892 38.487 0.108 0.000 1.090 151 N HN 0.481 nan 8.380 nan 0.000 0.558 152 T N 0.817 115.524 114.554 0.255 0.000 2.901 152 T HA 0.100 4.450 4.350 -0.000 0.000 0.301 152 T C 1.734 176.578 174.700 0.239 0.000 1.012 152 T CA 0.102 62.380 62.100 0.296 0.000 1.135 152 T CB 1.087 70.049 68.868 0.157 0.000 0.936 152 T HN 0.175 nan 8.240 nan 0.000 0.539 153 Q N 1.889 121.826 119.800 0.228 0.000 2.250 153 Q HA 0.144 4.484 4.340 -0.000 0.000 0.200 153 Q C 0.235 176.397 176.000 0.269 0.000 0.941 153 Q CA 0.466 56.413 55.803 0.241 0.000 0.872 153 Q CB 0.753 29.630 28.738 0.232 0.000 0.965 153 Q HN 0.705 nan 8.270 nan 0.000 0.480 154 W N -0.072 121.193 121.300 -0.058 0.000 3.479 154 W HA 0.581 5.241 4.660 -0.000 0.000 0.304 154 W C -2.308 174.114 176.519 -0.162 0.000 1.243 154 W CA -0.794 56.466 57.345 -0.142 0.000 1.202 154 W CB 1.293 30.619 29.460 -0.225 0.000 1.346 154 W HN -0.074 nan 8.180 nan 0.000 0.539 155 I N 4.257 124.029 120.570 -1.330 0.000 2.775 155 I HA 0.603 4.773 4.170 -0.000 0.000 0.295 155 I C -1.640 173.886 176.117 -0.985 0.000 1.287 155 I CA -0.005 60.718 61.300 -0.963 0.000 1.029 155 I CB 2.541 39.923 38.000 -1.030 0.000 1.282 155 I HN 0.351 nan 8.210 nan 0.000 0.426 156 T N 4.764 119.020 114.554 -0.497 0.000 3.012 156 T HA 0.424 4.774 4.350 -0.000 0.000 0.330 156 T C -1.576 173.089 174.700 -0.059 0.000 1.321 156 T CA -0.301 61.657 62.100 -0.238 0.000 1.067 156 T CB 0.591 69.516 68.868 0.096 0.000 1.235 156 T HN 0.547 nan 8.240 nan 0.000 0.479 157 W N 2.818 124.132 121.300 0.025 0.000 2.093 157 W HA 0.477 5.137 4.660 0.000 0.000 0.352 157 W C 1.285 177.636 176.519 -0.281 0.000 1.294 157 W CA -0.492 56.812 57.345 -0.068 0.000 1.290 157 W CB 0.528 29.956 29.460 -0.053 0.000 1.149 157 W HN 0.796 nan 8.180 nan 0.000 0.606 158 S N 0.646 116.081 115.700 -0.441 0.000 2.634 158 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 158 S C -1.943 172.433 174.600 -0.373 0.000 1.271 158 S CA -0.982 56.500 58.200 -1.197 0.000 0.985 158 S CB 0.636 62.979 63.200 -1.428 0.000 0.968 158 S HN 0.255 nan 8.310 nan 0.000 0.568 159 P HA 0.082 nan 4.420 nan 0.000 0.225 159 P C 0.148 177.405 177.300 -0.071 0.000 1.156 159 P CA 0.550 63.615 63.100 -0.058 0.000 0.787 159 P CB -0.097 31.605 31.700 0.002 0.000 0.802 160 V N -6.832 112.993 119.914 -0.149 0.000 3.102 160 V HA 0.884 5.004 4.120 -0.000 0.000 0.312 160 V C 0.629 176.610 176.094 -0.188 0.000 1.135 160 V CA -0.393 61.832 62.300 -0.125 0.000 1.022 160 V CB 0.960 32.720 31.823 -0.106 0.000 1.056 160 V HN 0.347 nan 8.190 nan 0.000 0.436 161 G N 1.578 110.278 108.800 -0.168 0.000 2.574 161 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.286 161 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.286 161 G C 0.289 175.055 174.900 -0.224 0.000 1.212 161 G CA 1.018 45.965 45.100 -0.255 0.000 0.979 161 G HN 2.593 nan 8.290 nan 0.000 0.557 162 H N -0.742 118.299 119.070 -0.049 0.000 3.233 162 H HA 0.427 4.983 4.556 -0.000 0.000 0.232 162 H C 0.163 175.637 175.328 0.242 0.000 1.322 162 H CA -0.171 55.898 56.048 0.034 0.000 1.043 162 H CB -0.323 29.450 29.762 0.018 0.000 2.572 162 H HN 0.522 nan 8.280 nan 0.000 0.597 163 K N 1.548 121.982 120.400 0.056 0.000 2.168 163 K HA 0.551 4.871 4.320 -0.000 0.000 0.258 163 K C -0.363 176.327 176.600 0.149 0.000 1.010 163 K CA -0.490 55.831 56.287 0.056 0.000 0.929 163 K CB 1.701 34.094 32.500 -0.179 0.000 0.998 163 K HN 0.116 nan 8.250 nan 0.000 0.479 164 L N 0.764 122.095 121.223 0.179 0.000 2.370 164 L HA 0.640 4.980 4.340 -0.000 0.000 0.266 164 L C -0.970 176.100 176.870 0.334 0.000 1.002 164 L CA -0.914 53.989 54.840 0.104 0.000 0.818 164 L CB 2.183 44.132 42.059 -0.183 0.000 1.325 164 L HN 0.700 nan 8.230 nan 0.000 0.418 165 A N 2.126 125.134 122.820 0.313 0.000 2.374 165 A HA 0.823 5.143 4.320 -0.000 0.000 0.305 165 A C -1.621 176.001 177.584 0.064 0.000 1.053 165 A CA -0.386 51.733 52.037 0.136 0.000 0.726 165 A CB 1.177 20.178 19.000 0.000 0.000 1.229 165 A HN 0.660 nan 8.150 nan 0.000 0.431 166 Y N -0.478 119.774 120.300 -0.080 0.000 2.625 166 Y HA 0.781 5.331 4.550 -0.000 0.000 0.338 166 Y C -1.212 174.700 175.900 0.020 0.000 1.123 166 Y CA -1.546 56.491 58.100 -0.105 0.000 1.046 166 Y CB 1.076 39.415 38.460 -0.202 0.000 1.299 166 Y HN 0.418 nan 8.280 nan 0.000 0.464 167 V N 1.863 121.906 119.914 0.215 0.000 2.513 167 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 167 V C -1.445 174.885 176.094 0.394 0.000 1.035 167 V CA -0.655 61.752 62.300 0.179 0.000 0.889 167 V CB 1.513 33.371 31.823 0.058 0.000 0.988 167 V HN 0.893 nan 8.190 nan 0.000 0.440 168 W N 4.750 126.150 121.300 0.168 0.000 3.405 168 W HA 0.445 5.104 4.660 -0.000 0.000 0.329 168 W C 0.099 176.680 176.519 0.104 0.000 1.142 168 W CA -0.566 56.864 57.345 0.140 0.000 1.235 168 W CB 1.163 30.702 29.460 0.132 0.000 1.341 168 W HN 0.778 nan 8.180 nan 0.000 0.481 169 N N 5.439 123.800 118.700 -0.565 0.000 2.735 169 N HA -0.334 4.406 4.740 -0.000 0.000 0.248 169 N C 0.148 175.504 175.510 -0.256 0.000 1.083 169 N CA 1.075 53.775 53.050 -0.584 0.000 0.703 169 N CB -1.144 36.777 38.487 -0.943 0.000 1.005 169 N HN 0.873 nan 8.380 nan 0.000 0.550 170 N N -1.527 117.083 118.700 -0.150 0.000 2.753 170 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 170 N C -1.331 174.106 175.510 -0.121 0.000 1.097 170 N CA 1.087 54.068 53.050 -0.115 0.000 0.786 170 N CB -0.295 38.071 38.487 -0.202 0.000 1.137 170 N HN 0.430 nan 8.380 nan 0.000 0.566 171 D N 0.284 120.624 120.400 -0.100 0.000 2.433 171 D HA 0.486 5.126 4.640 -0.000 0.000 0.236 171 D C 0.094 176.191 176.300 -0.338 0.000 1.026 171 D CA -0.392 53.447 54.000 -0.269 0.000 0.884 171 D CB 1.636 42.221 40.800 -0.358 0.000 1.384 171 D HN 0.009 nan 8.370 nan 0.000 0.477 172 I N 1.473 121.667 120.570 -0.628 0.000 2.428 172 I HA 0.269 4.439 4.170 -0.000 0.000 0.296 172 I C -0.708 174.826 176.117 -0.972 0.000 0.985 172 I CA -0.486 60.424 61.300 -0.650 0.000 1.260 172 I CB 0.656 38.235 38.000 -0.703 0.000 1.389 172 I HN 0.170 nan 8.210 nan 0.000 0.484 173 Y N 3.870 123.732 120.300 -0.730 0.000 2.512 173 Y HA 0.669 5.219 4.550 -0.000 0.000 0.348 173 Y C -0.407 175.103 175.900 -0.649 0.000 0.990 173 Y CA -0.919 56.708 58.100 -0.790 0.000 1.033 173 Y CB 2.136 39.871 38.460 -1.207 0.000 1.259 173 Y HN 0.104 nan 8.280 nan 0.000 0.461 174 V N 2.382 122.180 119.914 -0.193 0.000 2.760 174 V HA 0.441 4.561 4.120 -0.000 0.000 0.309 174 V C -1.055 175.087 176.094 0.080 0.000 1.077 174 V CA -1.488 60.800 62.300 -0.019 0.000 0.910 174 V CB 2.150 33.979 31.823 0.009 0.000 1.008 174 V HN 0.615 nan 8.190 nan 0.000 0.424 175 K N 3.065 123.550 120.400 0.143 0.000 2.389 175 K HA 0.420 4.740 4.320 -0.000 0.000 0.261 175 K C 0.615 177.287 176.600 0.120 0.000 1.014 175 K CA -0.247 56.108 56.287 0.114 0.000 0.920 175 K CB 1.120 33.671 32.500 0.086 0.000 1.149 175 K HN 0.610 nan 8.250 nan 0.000 0.444 176 N N 1.637 120.402 118.700 0.108 0.000 2.364 176 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 176 N C -0.328 175.257 175.510 0.124 0.000 1.022 176 N CA 0.948 54.062 53.050 0.108 0.000 0.883 176 N CB 0.319 38.857 38.487 0.085 0.000 0.965 176 N HN 0.454 nan 8.380 nan 0.000 0.438 177 E N -1.465 118.795 120.200 0.100 0.000 2.343 177 E HA 0.157 4.507 4.350 -0.000 0.000 0.278 177 E C -2.095 174.478 176.600 -0.045 0.000 0.910 177 E CA -1.762 54.685 56.400 0.078 0.000 0.757 177 E CB 1.946 31.693 29.700 0.077 0.000 1.218 177 E HN -0.194 nan 8.360 nan 0.000 0.435 178 P HA -0.166 nan 4.420 nan 0.000 0.218 178 P C 0.732 177.941 177.300 -0.151 0.000 1.146 178 P CA 1.368 64.291 63.100 -0.294 0.000 0.813 178 P CB 0.271 31.523 31.700 -0.747 0.000 0.778 179 N N -1.862 116.782 118.700 -0.094 0.000 2.230 179 N HA 0.019 4.759 4.740 -0.000 0.000 0.202 179 N C -0.029 175.470 175.510 -0.017 0.000 1.119 179 N CA 0.226 53.254 53.050 -0.037 0.000 0.851 179 N CB -0.078 38.405 38.487 -0.006 0.000 0.990 179 N HN 0.065 nan 8.380 nan 0.000 0.497 180 L N 0.868 122.084 121.223 -0.012 0.000 2.344 180 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 180 L C 0.622 177.496 176.870 0.006 0.000 1.035 180 L CA -0.431 54.413 54.840 0.007 0.000 0.807 180 L CB 1.542 43.617 42.059 0.027 0.000 1.237 180 L HN 0.004 nan 8.230 nan 0.000 0.442 181 S N 0.949 116.655 115.700 0.010 0.000 2.558 181 S HA 0.085 4.555 4.470 -0.000 0.000 0.288 181 S C 0.336 174.955 174.600 0.032 0.000 1.318 181 S CA -0.420 57.785 58.200 0.008 0.000 1.056 181 S CB 0.452 63.659 63.200 0.012 0.000 0.853 181 S HN 0.690 nan 8.310 nan 0.000 0.505 182 S N 3.161 118.886 115.700 0.042 0.000 2.584 182 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 182 S C -0.496 174.157 174.600 0.089 0.000 1.311 182 S CA -0.764 57.489 58.200 0.088 0.000 1.034 182 S CB 0.944 64.239 63.200 0.158 0.000 0.939 182 S HN 0.626 nan 8.310 nan 0.000 0.513 183 Q N 1.347 121.181 119.800 0.057 0.000 2.303 183 Q HA 0.337 4.677 4.340 -0.000 0.000 0.257 183 Q C -0.191 175.748 176.000 -0.102 0.000 0.941 183 Q CA -0.183 55.630 55.803 0.017 0.000 0.931 183 Q CB 1.029 29.775 28.738 0.014 0.000 1.215 183 Q HN 0.730 nan 8.270 nan 0.000 0.437 184 R N 4.115 124.506 120.500 -0.181 0.000 2.401 184 R HA 0.092 4.432 4.340 -0.000 0.000 0.299 184 R C 0.238 176.048 176.300 -0.817 0.000 1.064 184 R CA -0.024 55.655 56.100 -0.702 0.000 1.000 184 R CB 0.382 30.237 30.300 -0.742 0.000 0.973 184 R HN 0.699 nan 8.270 nan 0.000 0.438 185 I N 2.297 122.295 120.570 -0.954 0.000 3.081 185 I HA -0.002 4.168 4.170 -0.000 0.000 0.274 185 I C 0.926 176.586 176.117 -0.762 0.000 1.178 185 I CA 0.834 61.724 61.300 -0.684 0.000 1.460 185 I CB -0.455 37.187 38.000 -0.597 0.000 1.137 185 I HN 0.658 nan 8.210 nan 0.000 0.443 186 T N -3.841 110.097 114.554 -1.028 0.000 2.907 186 T HA 0.385 4.735 4.350 -0.000 0.000 0.292 186 T C -0.063 174.172 174.700 -0.776 0.000 1.043 186 T CA -0.548 61.149 62.100 -0.671 0.000 1.003 186 T CB 2.173 70.714 68.868 -0.545 0.000 1.084 186 T HN 0.203 nan 8.240 nan 0.000 0.483 187 W N 0.633 121.816 121.300 -0.196 0.000 2.714 187 W HA 0.103 4.763 4.660 0.001 0.000 0.353 187 W C 1.685 178.148 176.519 -0.093 0.000 0.999 187 W CA 0.142 57.412 57.345 -0.126 0.000 1.629 187 W CB 0.383 29.787 29.460 -0.093 0.000 1.106 187 W HN 0.943 nan 8.180 nan 0.000 0.545 188 T N -2.030 112.567 114.554 0.070 0.000 3.088 188 T HA 0.118 4.468 4.350 -0.000 0.000 0.259 188 T C 1.343 176.032 174.700 -0.018 0.000 1.122 188 T CA 0.370 62.493 62.100 0.040 0.000 1.095 188 T CB -0.214 68.681 68.868 0.046 0.000 0.930 188 T HN -0.026 nan 8.240 nan 0.000 0.508 189 G N 1.483 110.238 108.800 -0.075 0.000 2.109 189 G HA2 0.244 4.204 3.960 -0.000 0.000 0.249 189 G HA3 0.244 4.204 3.960 -0.000 0.000 0.249 189 G C -0.514 174.313 174.900 -0.121 0.000 1.126 189 G CA -0.254 44.777 45.100 -0.115 0.000 0.923 189 G HN 0.602 nan 8.290 nan 0.000 0.439 190 K N 2.345 122.644 120.400 -0.169 0.000 2.615 190 K HA 0.184 4.504 4.320 -0.000 0.000 0.249 190 K C -0.096 176.350 176.600 -0.257 0.000 0.977 190 K CA -0.683 55.505 56.287 -0.166 0.000 0.833 190 K CB 1.491 33.934 32.500 -0.095 0.000 1.208 190 K HN 0.610 nan 8.250 nan 0.000 0.443 191 E N 3.461 123.528 120.200 -0.220 0.000 2.652 191 E HA -0.198 4.152 4.350 -0.000 0.000 0.255 191 E C -0.325 176.175 176.600 -0.168 0.000 0.952 191 E CA 1.178 57.451 56.400 -0.212 0.000 0.947 191 E CB -0.003 29.613 29.700 -0.140 0.000 0.912 191 E HN 0.803 nan 8.360 nan 0.000 0.489 192 N N 1.627 120.224 118.700 -0.172 0.000 2.778 192 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 192 N C 0.122 175.661 175.510 0.049 0.000 1.069 192 N CA 0.541 53.612 53.050 0.035 0.000 0.831 192 N CB -0.376 38.150 38.487 0.065 0.000 1.142 192 N HN 0.284 nan 8.380 nan 0.000 0.573 193 V N -0.805 119.036 119.914 -0.121 0.000 3.442 193 V HA 0.281 4.401 4.120 -0.000 0.000 0.205 193 V C 0.209 176.333 176.094 0.050 0.000 1.320 193 V CA 0.423 62.734 62.300 0.019 0.000 1.306 193 V CB 0.721 32.540 31.823 -0.006 0.000 1.267 193 V HN 0.080 nan 8.190 nan 0.000 0.538 194 I N 0.977 121.474 120.570 -0.123 0.000 2.406 194 I HA 0.478 4.648 4.170 -0.000 0.000 0.290 194 I C -1.528 174.500 176.117 -0.149 0.000 0.999 194 I CA -0.495 60.809 61.300 0.007 0.000 1.124 194 I CB 1.260 39.270 38.000 0.017 0.000 1.289 194 I HN 0.237 nan 8.210 nan 0.000 0.441 195 Y N 4.400 124.773 120.300 0.122 0.000 2.331 195 Y HA 0.426 4.976 4.550 0.000 0.000 0.334 195 Y C 0.247 176.210 175.900 0.106 0.000 0.960 195 Y CA -0.884 57.286 58.100 0.116 0.000 1.130 195 Y CB 1.300 39.875 38.460 0.192 0.000 1.164 195 Y HN 0.413 nan 8.280 nan 0.000 0.458 196 N N 1.800 120.575 118.700 0.125 0.000 2.392 196 N HA 0.401 5.141 4.740 -0.000 0.000 0.283 196 N C 0.765 176.245 175.510 -0.051 0.000 1.003 196 N CA 0.357 53.430 53.050 0.039 0.000 0.892 196 N CB 2.000 40.383 38.487 -0.172 0.000 1.193 196 N HN 0.973 nan 8.380 nan 0.000 0.487 197 G N 0.368 109.175 108.800 0.011 0.000 2.205 197 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.261 197 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.261 197 G C -0.002 174.787 174.900 -0.185 0.000 0.980 197 G CA 0.743 45.776 45.100 -0.111 0.000 0.632 197 G HN 0.745 nan 8.290 nan 0.000 0.533 198 V N -2.229 117.616 119.914 -0.116 0.000 3.114 198 V HA 0.924 5.044 4.120 -0.000 0.000 0.308 198 V C 0.278 176.297 176.094 -0.127 0.000 1.168 198 V CA 0.020 62.099 62.300 -0.367 0.000 1.015 198 V CB 1.459 32.770 31.823 -0.852 0.000 1.050 198 V HN 1.196 nan 8.190 nan 0.000 0.433 199 T N 0.027 114.391 114.554 -0.317 0.000 2.882 199 T HA 0.502 4.851 4.350 -0.000 0.000 0.287 199 T C -0.140 174.231 174.700 -0.548 0.000 1.014 199 T CA -0.096 61.613 62.100 -0.653 0.000 1.049 199 T CB 1.055 69.561 68.868 -0.604 0.000 1.001 199 T HN 1.131 nan 8.240 nan 0.000 0.525 200 D N 0.117 119.986 120.400 -0.884 0.000 2.451 200 D HA 0.031 4.671 4.640 -0.000 0.000 0.259 200 D C 0.925 177.066 176.300 -0.266 0.000 1.201 200 D CA -1.167 52.360 54.000 -0.788 0.000 1.028 200 D CB 0.184 40.547 40.800 -0.729 0.000 1.095 200 D HN 0.722 nan 8.370 nan 0.000 0.539 201 W N 0.383 121.569 121.300 -0.191 0.000 2.318 201 W HA -0.229 4.431 4.660 -0.000 0.000 0.313 201 W C 2.041 178.406 176.519 -0.257 0.000 1.221 201 W CA 2.260 59.502 57.345 -0.172 0.000 1.266 201 W CB -0.300 29.009 29.460 -0.252 0.000 1.150 201 W HN 0.211 nan 8.180 nan 0.000 0.496 202 V N -0.419 119.479 119.914 -0.026 0.000 2.591 202 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 202 V C 1.778 177.616 176.094 -0.428 0.000 1.053 202 V CA 1.775 63.941 62.300 -0.224 0.000 1.068 202 V CB -0.664 31.073 31.823 -0.143 0.000 0.689 202 V HN 0.264 nan 8.190 nan 0.000 0.462 203 Y N 0.775 120.765 120.300 -0.516 0.000 2.242 203 Y HA -0.172 4.378 4.550 0.000 0.000 0.291 203 Y C 2.562 178.133 175.900 -0.549 0.000 1.137 203 Y CA 2.148 59.855 58.100 -0.655 0.000 1.181 203 Y CB -0.040 37.731 38.460 -1.148 0.000 0.989 203 Y HN 0.396 nan 8.280 nan 0.000 0.527 204 E N 0.322 120.321 120.200 -0.335 0.000 2.031 204 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 204 E C 2.016 178.516 176.600 -0.168 0.000 0.994 204 E CA 1.642 57.930 56.400 -0.187 0.000 0.800 204 E CB -0.039 29.577 29.700 -0.140 0.000 0.752 204 E HN 0.363 nan 8.360 nan 0.000 0.447 205 E N 0.074 119.993 120.200 -0.468 0.000 2.112 205 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 205 E C 1.513 177.977 176.600 -0.227 0.000 0.979 205 E CA 1.377 57.508 56.400 -0.448 0.000 0.814 205 E CB 0.223 29.299 29.700 -1.041 0.000 0.762 205 E HN 0.257 nan 8.360 nan 0.000 0.460 206 E N -0.961 119.085 120.200 -0.256 0.000 2.465 206 E HA 0.117 4.467 4.350 -0.000 0.000 0.209 206 E C 1.593 178.125 176.600 -0.113 0.000 0.951 206 E CA 0.292 56.614 56.400 -0.130 0.000 0.997 206 E CB 1.040 30.641 29.700 -0.165 0.000 1.025 206 E HN 0.169 nan 8.360 nan 0.000 0.500 207 V N -0.001 119.822 119.914 -0.152 0.000 2.735 207 V HA 0.029 4.149 4.120 -0.000 0.000 0.234 207 V C 1.584 177.870 176.094 0.319 0.000 1.121 207 V CA 0.645 62.937 62.300 -0.014 0.000 1.160 207 V CB -0.258 31.428 31.823 -0.230 0.000 0.908 207 V HN 0.026 nan 8.190 nan 0.000 0.495 208 F N 0.856 120.820 119.950 0.024 0.000 2.569 208 F HA 0.257 4.784 4.527 -0.000 0.000 0.295 208 F C 1.680 177.451 175.800 -0.047 0.000 1.115 208 F CA 0.098 58.123 58.000 0.041 0.000 1.450 208 F CB -0.994 38.045 39.000 0.065 0.000 1.107 208 F HN 0.157 nan 8.300 nan 0.000 0.563 209 S N 0.194 115.959 115.700 0.109 0.000 3.614 209 S HA 0.045 4.515 4.470 -0.000 0.000 0.360 209 S C 0.141 174.402 174.600 -0.566 0.000 1.023 209 S CA 0.478 58.629 58.200 -0.082 0.000 1.114 209 S CB -1.685 61.506 63.200 -0.015 0.000 0.907 209 S HN 0.702 nan 8.310 nan 0.000 0.470 210 A N -0.591 122.084 122.820 -0.242 0.000 2.586 210 A HA 0.683 5.003 4.320 -0.000 0.000 0.291 210 A C -0.426 177.171 177.584 0.022 0.000 1.062 210 A CA -0.424 51.483 52.037 -0.216 0.000 0.666 210 A CB 0.205 19.115 19.000 -0.149 0.000 1.281 210 A HN 0.419 nan 8.150 nan 0.000 0.421 211 Y N 1.157 121.329 120.300 -0.215 0.000 2.476 211 Y HA 0.276 4.826 4.550 -0.000 0.000 0.283 211 Y C 1.511 177.157 175.900 -0.423 0.000 1.109 211 Y CA 0.880 58.834 58.100 -0.244 0.000 1.246 211 Y CB 0.068 38.413 38.460 -0.192 0.000 1.068 211 Y HN 0.730 nan 8.280 nan 0.000 0.552 212 S N 0.874 116.116 115.700 -0.764 0.000 2.549 212 S HA 0.417 4.887 4.470 -0.000 0.000 0.286 212 S C 0.286 174.538 174.600 -0.581 0.000 1.314 212 S CA 0.271 57.751 58.200 -1.200 0.000 1.062 212 S CB 0.344 62.531 63.200 -1.688 0.000 0.865 212 S HN 0.460 nan 8.310 nan 0.000 0.498 213 A N 4.496 126.954 122.820 -0.603 0.000 3.045 213 A HA 0.528 4.848 4.320 -0.000 0.000 0.244 213 A C -0.817 176.245 177.584 -0.870 0.000 0.917 213 A CA -0.636 51.148 52.037 -0.421 0.000 1.075 213 A CB -0.361 18.778 19.000 0.232 0.000 1.202 213 A HN 1.046 nan 8.150 nan 0.000 0.486 214 L N -4.784 115.645 121.223 -1.323 0.000 2.472 214 L HA 0.906 5.246 4.340 -0.000 0.000 0.260 214 L C -1.496 174.901 176.870 -0.788 0.000 0.963 214 L CA -1.110 53.247 54.840 -0.805 0.000 0.829 214 L CB 1.068 42.932 42.059 -0.326 0.000 1.348 214 L HN 0.223 nan 8.230 nan 0.000 0.408 215 W N 1.773 123.158 121.300 0.142 0.000 2.756 215 W HA 0.350 5.010 4.660 -0.000 0.000 0.333 215 W C -1.480 175.271 176.519 0.387 0.000 1.025 215 W CA -0.725 56.804 57.345 0.307 0.000 1.246 215 W CB 1.453 31.141 29.460 0.381 0.000 1.358 215 W HN 0.611 nan 8.180 nan 0.000 0.444 216 W N 2.186 123.700 121.300 0.356 0.000 2.150 216 W HA 0.243 4.903 4.660 0.000 0.000 0.341 216 W C 1.239 177.557 176.519 -0.335 0.000 1.276 216 W CA 0.346 57.748 57.345 0.094 0.000 1.238 216 W CB 0.703 30.187 29.460 0.040 0.000 1.128 216 W HN 0.169 nan 8.180 nan 0.000 0.581 217 S N 1.666 117.024 115.700 -0.570 0.000 2.603 217 S HA 0.223 4.693 4.470 -0.000 0.000 0.268 217 S C -1.852 172.469 174.600 -0.465 0.000 1.317 217 S CA -1.075 56.227 58.200 -1.498 0.000 1.012 217 S CB 1.167 63.528 63.200 -1.399 0.000 0.926 217 S HN 0.265 nan 8.310 nan 0.000 0.539 218 P HA -0.135 nan 4.420 nan 0.000 0.218 218 P C 0.685 177.946 177.300 -0.065 0.000 1.154 218 P CA 1.493 64.559 63.100 -0.057 0.000 0.872 218 P CB -0.050 31.667 31.700 0.029 0.000 0.790 219 N N -2.271 116.371 118.700 -0.096 0.000 2.321 219 N HA 0.199 4.939 4.740 -0.000 0.000 0.242 219 N C 0.829 176.260 175.510 -0.133 0.000 1.141 219 N CA 0.418 53.413 53.050 -0.092 0.000 0.864 219 N CB -0.519 37.932 38.487 -0.059 0.000 1.100 219 N HN 0.017 nan 8.380 nan 0.000 0.510 220 G N -0.871 107.847 108.800 -0.136 0.000 2.189 220 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 220 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 220 G C 1.201 176.094 174.900 -0.012 0.000 0.975 220 G CA 1.158 46.193 45.100 -0.109 0.000 0.644 220 G HN 0.413 nan 8.290 nan 0.000 0.537 221 T N -0.094 114.351 114.554 -0.182 0.000 2.674 221 T HA 0.173 4.523 4.350 -0.000 0.000 0.265 221 T C 0.925 175.321 174.700 -0.507 0.000 1.039 221 T CA 1.505 63.331 62.100 -0.457 0.000 1.150 221 T CB -0.088 68.276 68.868 -0.841 0.000 0.864 221 T HN 0.321 nan 8.240 nan 0.000 0.427 222 F N 0.007 119.979 119.950 0.037 0.000 2.523 222 F HA 0.673 5.200 4.527 -0.000 0.000 0.329 222 F C -0.298 175.553 175.800 0.086 0.000 1.061 222 F CA -1.743 56.319 58.000 0.103 0.000 0.967 222 F CB 1.187 40.314 39.000 0.212 0.000 1.218 222 F HN -0.123 nan 8.300 nan 0.000 0.480 223 L N 2.254 123.634 121.223 0.261 0.000 2.415 223 L HA 0.783 5.123 4.340 -0.000 0.000 0.268 223 L C -0.689 176.289 176.870 0.180 0.000 0.984 223 L CA -0.591 54.233 54.840 -0.027 0.000 0.853 223 L CB 0.636 42.395 42.059 -0.501 0.000 1.215 223 L HN 0.680 nan 8.230 nan 0.000 0.419 224 A N 4.526 127.546 122.820 0.334 0.000 2.304 224 A HA 0.787 5.107 4.320 -0.000 0.000 0.301 224 A C -1.309 176.389 177.584 0.189 0.000 1.132 224 A CA -0.181 51.917 52.037 0.102 0.000 0.819 224 A CB 0.581 19.641 19.000 0.100 0.000 1.094 224 A HN 0.925 nan 8.150 nan 0.000 0.492 225 Y N -1.824 118.314 120.300 -0.271 0.000 2.624 225 Y HA 0.741 5.291 4.550 -0.000 0.000 0.334 225 Y C -0.489 175.320 175.900 -0.152 0.000 1.155 225 Y CA -0.882 57.163 58.100 -0.091 0.000 1.046 225 Y CB 0.854 39.222 38.460 -0.154 0.000 1.316 225 Y HN 0.971 nan 8.280 nan 0.000 0.457 226 A N 2.360 125.273 122.820 0.154 0.000 2.355 226 A HA 0.674 4.994 4.320 -0.000 0.000 0.324 226 A C -1.347 176.132 177.584 -0.175 0.000 1.117 226 A CA -0.876 51.084 52.037 -0.128 0.000 0.785 226 A CB 1.847 20.760 19.000 -0.145 0.000 1.254 226 A HN 0.828 nan 8.150 nan 0.000 0.453 227 Q N 1.388 121.016 119.800 -0.288 0.000 2.331 227 Q HA 0.607 4.947 4.340 -0.000 0.000 0.267 227 Q C -2.013 173.745 176.000 -0.403 0.000 1.006 227 Q CA -0.376 55.360 55.803 -0.111 0.000 0.818 227 Q CB 0.970 29.837 28.738 0.215 0.000 1.276 227 Q HN 0.581 nan 8.270 nan 0.000 0.450 228 F N 2.529 122.542 119.950 0.105 0.000 2.443 228 F HA 0.390 4.917 4.527 -0.000 0.000 0.335 228 F C 0.437 176.358 175.800 0.202 0.000 1.104 228 F CA -0.886 57.148 58.000 0.055 0.000 1.013 228 F CB 1.376 40.308 39.000 -0.113 0.000 1.136 228 F HN 0.462 nan 8.300 nan 0.000 0.470 229 N N 2.080 120.964 118.700 0.306 0.000 2.569 229 N HA 0.204 4.944 4.740 -0.000 0.000 0.254 229 N C -0.920 174.739 175.510 0.248 0.000 1.004 229 N CA -0.354 52.846 53.050 0.250 0.000 0.904 229 N CB 0.820 39.402 38.487 0.157 0.000 1.165 229 N HN 0.524 nan 8.380 nan 0.000 0.513 230 D N 1.441 122.017 120.400 0.294 0.000 2.395 230 D HA 0.129 4.769 4.640 -0.000 0.000 0.226 230 D C 1.187 177.592 176.300 0.175 0.000 1.146 230 D CA 0.158 54.309 54.000 0.251 0.000 0.830 230 D CB 0.546 41.552 40.800 0.344 0.000 0.958 230 D HN 0.459 nan 8.370 nan 0.000 0.501 231 T N 0.204 114.841 114.554 0.138 0.000 2.624 231 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 231 T C 1.498 176.245 174.700 0.078 0.000 1.041 231 T CA 1.268 63.423 62.100 0.093 0.000 1.159 231 T CB -0.068 68.844 68.868 0.074 0.000 0.863 231 T HN 0.299 nan 8.240 nan 0.000 0.434 232 E N 0.455 120.701 120.200 0.077 0.000 2.489 232 E HA 0.108 4.458 4.350 -0.000 0.000 0.193 232 E C -0.219 176.422 176.600 0.068 0.000 1.057 232 E CA -0.247 56.189 56.400 0.061 0.000 0.866 232 E CB 0.296 30.026 29.700 0.049 0.000 0.916 232 E HN 0.223 nan 8.360 nan 0.000 0.500 233 V N 3.534 123.502 119.914 0.090 0.000 2.479 233 V HA 0.065 4.185 4.120 -0.000 0.000 0.281 233 V C -1.980 174.163 176.094 0.081 0.000 1.031 233 V CA -1.364 60.992 62.300 0.094 0.000 1.038 233 V CB 0.340 32.237 31.823 0.122 0.000 0.981 233 V HN 0.030 nan 8.190 nan 0.000 0.478 234 P HA 0.190 nan 4.420 nan 0.000 0.270 234 P C -0.596 176.732 177.300 0.046 0.000 1.223 234 P CA -0.204 62.927 63.100 0.051 0.000 0.785 234 P CB 0.496 32.225 31.700 0.048 0.000 0.923 235 L N 2.162 123.389 121.223 0.007 0.000 2.295 235 L HA 0.419 4.759 4.340 -0.000 0.000 0.285 235 L C 0.333 177.142 176.870 -0.101 0.000 1.035 235 L CA -0.955 53.868 54.840 -0.028 0.000 0.806 235 L CB 1.021 43.059 42.059 -0.036 0.000 1.214 235 L HN 0.314 nan 8.230 nan 0.000 0.426 236 I N 2.919 123.379 120.570 -0.183 0.000 2.440 236 I HA 0.268 4.437 4.170 -0.000 0.000 0.294 236 I C -0.353 175.592 176.117 -0.287 0.000 0.995 236 I CA 0.276 61.366 61.300 -0.351 0.000 1.306 236 I CB 0.968 38.492 38.000 -0.793 0.000 1.407 236 I HN 0.571 nan 8.210 nan 0.000 0.501 237 E N 6.887 126.940 120.200 -0.245 0.000 2.293 237 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 237 E C -1.829 174.685 176.600 -0.143 0.000 0.879 237 E CA -0.611 55.643 56.400 -0.244 0.000 0.756 237 E CB 2.239 31.834 29.700 -0.176 0.000 1.208 237 E HN 0.577 nan 8.360 nan 0.000 0.428 238 Y N -1.995 118.206 120.300 -0.166 0.000 2.638 238 Y HA 0.549 5.099 4.550 0.000 0.000 0.335 238 Y C -0.768 175.050 175.900 -0.137 0.000 1.155 238 Y CA -1.259 56.753 58.100 -0.147 0.000 1.046 238 Y CB 0.845 39.223 38.460 -0.136 0.000 1.303 238 Y HN 0.217 nan 8.280 nan 0.000 0.460 239 S N 1.700 117.387 115.700 -0.021 0.000 2.565 239 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 239 S C -1.436 172.994 174.600 -0.283 0.000 1.309 239 S CA -0.376 57.660 58.200 -0.274 0.000 1.043 239 S CB 0.457 63.340 63.200 -0.529 0.000 0.939 239 S HN 0.519 nan 8.310 nan 0.000 0.504 240 F N 2.396 122.071 119.950 -0.459 0.000 2.499 240 F HA 0.425 4.952 4.527 0.000 0.000 0.333 240 F C -0.181 175.381 175.800 -0.396 0.000 1.138 240 F CA -0.973 56.859 58.000 -0.281 0.000 0.945 240 F CB 0.743 39.702 39.000 -0.068 0.000 1.181 240 F HN 0.660 nan 8.300 nan 0.000 0.435 241 Y N 2.701 122.766 120.300 -0.393 0.000 2.365 241 Y HA 0.087 4.637 4.550 0.000 0.000 0.293 241 Y C 1.719 177.529 175.900 -0.150 0.000 1.119 241 Y CA 1.225 59.191 58.100 -0.223 0.000 1.203 241 Y CB -0.486 37.833 38.460 -0.236 0.000 1.026 241 Y HN 0.724 nan 8.280 nan 0.000 0.549 242 S N -0.201 115.390 115.700 -0.181 0.000 3.697 242 S HA -0.269 4.201 4.470 -0.000 0.000 0.638 242 S C -0.237 174.401 174.600 0.063 0.000 2.176 242 S CA 0.052 58.300 58.200 0.080 0.000 2.349 242 S CB -1.233 62.108 63.200 0.235 0.000 0.329 242 S HN 0.609 nan 8.310 nan 0.000 1.794 243 D N 1.137 121.596 120.400 0.099 0.000 2.449 243 D HA 0.017 4.657 4.640 -0.000 0.000 0.236 243 D C 1.447 177.777 176.300 0.050 0.000 1.149 243 D CA 0.817 54.858 54.000 0.068 0.000 0.878 243 D CB 0.595 41.438 40.800 0.072 0.000 1.198 243 D HN 0.646 nan 8.370 nan 0.000 0.446 244 E N 1.460 121.678 120.200 0.030 0.000 2.284 244 E HA -0.252 4.098 4.350 -0.000 0.000 0.200 244 E C 1.535 178.146 176.600 0.019 0.000 1.008 244 E CA 1.460 57.869 56.400 0.016 0.000 0.829 244 E CB 0.057 29.760 29.700 0.005 0.000 0.744 244 E HN 0.498 nan 8.360 nan 0.000 0.491 245 S N -0.035 115.683 115.700 0.030 0.000 2.489 245 S HA -0.011 4.459 4.470 -0.000 0.000 0.228 245 S C 1.107 175.731 174.600 0.041 0.000 0.995 245 S CA -0.159 58.060 58.200 0.030 0.000 0.934 245 S CB -0.114 63.107 63.200 0.034 0.000 0.771 245 S HN 0.250 nan 8.310 nan 0.000 0.522 246 L N 2.501 123.757 121.223 0.055 0.000 2.500 246 L HA 0.123 4.463 4.340 -0.000 0.000 0.272 246 L C 1.636 178.541 176.870 0.059 0.000 1.149 246 L CA 0.080 54.965 54.840 0.075 0.000 0.897 246 L CB 0.920 43.036 42.059 0.094 0.000 1.178 246 L HN 0.445 nan 8.230 nan 0.000 0.473 247 Q N 4.082 123.925 119.800 0.072 0.000 2.123 247 Q HA -0.099 4.241 4.340 -0.000 0.000 0.199 247 Q C -0.649 175.272 176.000 -0.130 0.000 0.966 247 Q CA 1.316 57.112 55.803 -0.012 0.000 0.845 247 Q CB 0.238 28.999 28.738 0.037 0.000 0.907 247 Q HN 0.586 nan 8.270 nan 0.000 0.439 248 Y N 0.463 120.775 120.300 0.021 0.000 2.341 248 Y HA 0.399 4.949 4.550 0.000 0.000 0.338 248 Y C -2.072 173.836 175.900 0.013 0.000 0.965 248 Y CA -2.940 55.169 58.100 0.015 0.000 1.108 248 Y CB 1.427 39.888 38.460 0.002 0.000 1.180 248 Y HN 0.125 nan 8.280 nan 0.000 0.458 249 P HA 0.117 nan 4.420 nan 0.000 0.270 249 P C -0.958 176.348 177.300 0.011 0.000 1.223 249 P CA -0.627 62.488 63.100 0.025 0.000 0.785 249 P CB 0.651 32.309 31.700 -0.070 0.000 0.923 250 K N -0.414 119.973 120.400 -0.022 0.000 2.139 250 K HA 0.644 4.964 4.320 -0.000 0.000 0.243 250 K C -0.835 175.714 176.600 -0.085 0.000 0.983 250 K CA -0.712 55.564 56.287 -0.019 0.000 0.890 250 K CB 0.703 33.216 32.500 0.023 0.000 1.090 250 K HN 0.174 nan 8.250 nan 0.000 0.445 251 T N 1.417 115.909 114.554 -0.104 0.000 2.770 251 T HA 0.264 4.614 4.350 -0.000 0.000 0.283 251 T C -0.571 173.994 174.700 -0.225 0.000 0.988 251 T CA -0.721 61.278 62.100 -0.168 0.000 0.957 251 T CB 1.247 70.031 68.868 -0.140 0.000 0.930 251 T HN 0.367 nan 8.240 nan 0.000 0.443 252 V N 5.087 124.760 119.914 -0.402 0.000 2.607 252 V HA 0.479 4.599 4.120 -0.000 0.000 0.289 252 V C 0.304 176.118 176.094 -0.466 0.000 1.053 252 V CA -0.532 61.485 62.300 -0.470 0.000 0.996 252 V CB 1.088 32.450 31.823 -0.767 0.000 0.995 252 V HN 0.721 nan 8.190 nan 0.000 0.476 253 R N 5.194 125.544 120.500 -0.250 0.000 2.532 253 R HA 0.723 5.063 4.340 -0.000 0.000 0.297 253 R C -1.450 174.813 176.300 -0.062 0.000 0.984 253 R CA -0.569 55.430 56.100 -0.170 0.000 0.884 253 R CB 2.065 32.303 30.300 -0.103 0.000 1.182 253 R HN 0.576 nan 8.270 nan 0.000 0.442 254 I N 3.159 123.688 120.570 -0.068 0.000 2.533 254 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 254 I C -2.472 173.673 176.117 0.046 0.000 1.056 254 I CA -2.686 58.635 61.300 0.034 0.000 1.057 254 I CB 2.925 40.879 38.000 -0.078 0.000 1.240 254 I HN 0.230 nan 8.210 nan 0.000 0.423 255 P HA 0.104 nan 4.420 nan 0.000 0.276 255 P C -1.523 175.871 177.300 0.157 0.000 1.264 255 P CA 0.178 63.366 63.100 0.148 0.000 0.769 255 P CB -0.001 31.827 31.700 0.212 0.000 0.840 256 Y N 6.554 126.822 120.300 -0.052 0.000 2.332 256 Y HA 0.412 4.962 4.550 -0.000 0.000 0.325 256 Y C -2.816 173.057 175.900 -0.046 0.000 1.054 256 Y CA -2.892 55.138 58.100 -0.116 0.000 1.119 256 Y CB 1.880 40.141 38.460 -0.332 0.000 1.168 256 Y HN 0.280 nan 8.280 nan 0.000 0.439 257 P HA 0.295 nan 4.420 nan 0.000 0.293 257 P C -1.050 176.323 177.300 0.121 0.000 1.313 257 P CA -0.337 62.818 63.100 0.092 0.000 0.787 257 P CB 1.785 33.512 31.700 0.044 0.000 0.910 258 K N 1.888 122.426 120.400 0.229 0.000 2.098 258 K HA 0.527 4.847 4.320 -0.000 0.000 0.244 258 K C 0.482 177.182 176.600 0.168 0.000 1.014 258 K CA -0.756 55.683 56.287 0.253 0.000 0.917 258 K CB 0.676 33.331 32.500 0.258 0.000 1.072 258 K HN 0.474 nan 8.250 nan 0.000 0.477 259 A N 0.699 123.638 122.820 0.199 0.000 2.580 259 A HA 0.256 4.576 4.320 -0.000 0.000 0.244 259 A C 1.173 178.794 177.584 0.061 0.000 1.045 259 A CA 1.088 53.225 52.037 0.166 0.000 0.761 259 A CB -1.219 17.943 19.000 0.270 0.000 0.962 259 A HN 0.914 nan 8.150 nan 0.000 0.512 260 G N 0.907 109.737 108.800 0.050 0.000 2.184 260 G HA2 0.103 4.063 3.960 -0.000 0.000 0.264 260 G HA3 0.103 4.063 3.960 -0.000 0.000 0.264 260 G C 0.656 175.569 174.900 0.022 0.000 0.975 260 G CA 0.798 45.904 45.100 0.010 0.000 0.642 260 G HN 2.187 nan 8.290 nan 0.000 0.536 261 A N -0.327 122.521 122.820 0.047 0.000 2.259 261 A HA 0.721 5.041 4.320 -0.000 0.000 0.278 261 A C 0.474 178.085 177.584 0.046 0.000 1.107 261 A CA 0.379 52.445 52.037 0.049 0.000 0.828 261 A CB 0.378 19.422 19.000 0.074 0.000 1.111 261 A HN 0.573 nan 8.150 nan 0.000 0.498 262 E N 0.612 120.839 120.200 0.045 0.000 2.376 262 E HA 0.149 4.499 4.350 -0.000 0.000 0.266 262 E C -0.413 176.223 176.600 0.061 0.000 1.009 262 E CA 0.315 56.740 56.400 0.042 0.000 0.902 262 E CB 0.148 29.873 29.700 0.042 0.000 0.972 262 E HN 0.546 nan 8.360 nan 0.000 0.439 263 N N 3.926 122.662 118.700 0.059 0.000 2.477 263 N HA 0.447 5.187 4.740 -0.000 0.000 0.284 263 N C -2.481 173.102 175.510 0.121 0.000 1.182 263 N CA -1.714 51.392 53.050 0.094 0.000 0.949 263 N CB 0.821 39.363 38.487 0.091 0.000 1.204 263 N HN 0.358 nan 8.380 nan 0.000 0.526 264 P HA 0.130 nan 4.420 nan 0.000 0.274 264 P C -0.479 176.962 177.300 0.234 0.000 1.237 264 P CA -0.132 63.111 63.100 0.237 0.000 0.793 264 P CB 0.470 32.363 31.700 0.321 0.000 0.977 265 T N -1.810 112.855 114.554 0.185 0.000 2.948 265 T HA 0.642 4.992 4.350 -0.000 0.000 0.285 265 T C -0.258 174.526 174.700 0.140 0.000 1.019 265 T CA -0.848 61.313 62.100 0.101 0.000 1.013 265 T CB 1.519 70.414 68.868 0.045 0.000 1.117 265 T HN 0.379 nan 8.240 nan 0.000 0.533 266 V N -0.142 119.817 119.914 0.076 0.000 3.114 266 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 266 V C -1.848 174.254 176.094 0.013 0.000 1.168 266 V CA -0.925 61.361 62.300 -0.024 0.000 1.015 266 V CB 2.250 34.058 31.823 -0.026 0.000 1.050 266 V HN 1.068 nan 8.190 nan 0.000 0.433 267 K N 3.786 124.133 120.400 -0.088 0.000 2.469 267 K HA 0.569 4.889 4.320 -0.000 0.000 0.254 267 K C -1.996 174.467 176.600 -0.229 0.000 0.939 267 K CA -0.437 55.757 56.287 -0.155 0.000 0.812 267 K CB 2.856 35.227 32.500 -0.215 0.000 1.301 267 K HN 0.562 nan 8.250 nan 0.000 0.433 268 F N 2.615 122.260 119.950 -0.508 0.000 2.493 268 F HA 0.543 5.070 4.527 0.000 0.000 0.329 268 F C -1.501 173.846 175.800 -0.756 0.000 1.126 268 F CA -0.650 57.066 58.000 -0.473 0.000 0.937 268 F CB 0.791 39.672 39.000 -0.199 0.000 1.146 268 F HN 0.372 nan 8.300 nan 0.000 0.442 269 F N 4.342 123.651 119.950 -1.067 0.000 2.561 269 F HA 0.733 5.260 4.527 -0.000 0.000 0.321 269 F C -0.842 174.525 175.800 -0.721 0.000 1.065 269 F CA -1.271 56.276 58.000 -0.755 0.000 0.934 269 F CB 2.002 40.514 39.000 -0.814 0.000 1.215 269 F HN 0.064 nan 8.300 nan 0.000 0.471 270 V N 2.955 122.822 119.914 -0.078 0.000 2.443 270 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 270 V C -0.666 175.584 176.094 0.260 0.000 1.021 270 V CA -0.803 61.476 62.300 -0.036 0.000 0.848 270 V CB 1.589 33.166 31.823 -0.410 0.000 0.998 270 V HN 0.533 nan 8.190 nan 0.000 0.424 271 V N 3.383 123.481 119.914 0.305 0.000 2.481 271 V HA 0.361 4.481 4.120 -0.000 0.000 0.286 271 V C -0.034 176.336 176.094 0.460 0.000 1.042 271 V CA -0.428 62.075 62.300 0.337 0.000 0.928 271 V CB 1.888 33.830 31.823 0.199 0.000 0.986 271 V HN 0.879 nan 8.190 nan 0.000 0.462 272 D N 3.233 123.912 120.400 0.466 0.000 2.380 272 D HA 0.115 4.755 4.640 -0.000 0.000 0.230 272 D C 1.272 177.679 176.300 0.179 0.000 1.154 272 D CA -0.045 54.198 54.000 0.405 0.000 0.859 272 D CB 1.667 42.736 40.800 0.448 0.000 1.045 272 D HN 0.735 nan 8.370 nan 0.000 0.495 273 T N 1.293 115.903 114.554 0.093 0.000 3.160 273 T HA 0.005 4.355 4.350 -0.000 0.000 0.257 273 T C 1.584 176.321 174.700 0.062 0.000 1.147 273 T CA 0.362 62.516 62.100 0.091 0.000 1.064 273 T CB 0.006 68.973 68.868 0.166 0.000 0.949 273 T HN 0.290 nan 8.240 nan 0.000 0.526 274 R N 1.232 121.742 120.500 0.016 0.000 2.148 274 R HA -0.013 4.327 4.340 -0.000 0.000 0.227 274 R C 2.412 178.738 176.300 0.044 0.000 1.103 274 R CA 1.697 57.803 56.100 0.010 0.000 0.983 274 R CB -0.399 29.886 30.300 -0.025 0.000 0.874 274 R HN 0.663 nan 8.270 nan 0.000 0.451 275 T N -1.776 112.820 114.554 0.070 0.000 3.086 275 T HA 0.227 4.577 4.350 -0.000 0.000 0.250 275 T C 0.679 175.424 174.700 0.075 0.000 1.074 275 T CA -0.218 61.927 62.100 0.076 0.000 0.988 275 T CB -0.003 68.921 68.868 0.094 0.000 0.988 275 T HN -0.027 nan 8.240 nan 0.000 0.530 276 L N 2.598 123.866 121.223 0.074 0.000 2.534 276 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 276 L C -0.017 176.892 176.870 0.065 0.000 1.178 276 L CA 0.031 54.914 54.840 0.072 0.000 0.907 276 L CB 0.178 42.278 42.059 0.067 0.000 1.164 276 L HN 0.233 nan 8.230 nan 0.000 0.482 277 S N 3.280 119.019 115.700 0.066 0.000 2.537 277 S HA 0.354 4.824 4.470 -0.000 0.000 0.270 277 S C -1.853 172.786 174.600 0.063 0.000 1.142 277 S CA -0.774 57.461 58.200 0.059 0.000 0.870 277 S CB 2.243 65.475 63.200 0.053 0.000 1.112 277 S HN 0.329 nan 8.310 nan 0.000 0.466 278 P HA -0.136 nan 4.420 nan 0.000 0.218 278 P C 0.333 177.672 177.300 0.065 0.000 1.152 278 P CA 1.494 64.631 63.100 0.062 0.000 0.857 278 P CB 0.038 31.768 31.700 0.050 0.000 0.787 279 N N -1.318 117.415 118.700 0.055 0.000 2.275 279 N HA 0.276 5.016 4.740 -0.000 0.000 0.236 279 N C 0.158 175.695 175.510 0.045 0.000 1.154 279 N CA -0.033 53.045 53.050 0.048 0.000 0.866 279 N CB 0.656 39.165 38.487 0.036 0.000 1.093 279 N HN 0.095 nan 8.380 nan 0.000 0.515 280 A N 0.295 123.149 122.820 0.057 0.000 2.311 280 A HA 0.682 5.002 4.320 -0.000 0.000 0.334 280 A C 0.668 178.290 177.584 0.064 0.000 1.139 280 A CA -0.488 51.582 52.037 0.054 0.000 0.830 280 A CB 0.871 19.908 19.000 0.060 0.000 1.234 280 A HN 0.184 nan 8.150 nan 0.000 0.483 281 S N -0.295 115.434 115.700 0.048 0.000 2.641 281 S HA 0.512 4.982 4.470 -0.000 0.000 0.261 281 S C -0.046 174.613 174.600 0.098 0.000 1.257 281 S CA -0.496 57.729 58.200 0.042 0.000 0.983 281 S CB 0.605 63.806 63.200 0.003 0.000 0.990 281 S HN 0.798 nan 8.310 nan 0.000 0.572 282 V N 1.547 121.537 119.914 0.126 0.000 2.383 282 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 282 V C 0.170 176.352 176.094 0.147 0.000 1.036 282 V CA -0.517 61.877 62.300 0.156 0.000 0.889 282 V CB 1.027 32.980 31.823 0.217 0.000 0.985 282 V HN 1.001 nan 8.190 nan 0.000 0.459 283 T N 4.530 119.184 114.554 0.166 0.000 2.727 283 T HA 0.361 4.711 4.350 -0.000 0.000 0.295 283 T C 0.121 174.982 174.700 0.268 0.000 0.915 283 T CA 0.173 62.399 62.100 0.210 0.000 1.066 283 T CB 0.544 69.546 68.868 0.224 0.000 0.891 283 T HN 0.646 nan 8.240 nan 0.000 0.516 284 S N 2.230 118.098 115.700 0.280 0.000 2.599 284 S HA 0.695 5.165 4.470 -0.000 0.000 0.287 284 S C -1.777 173.078 174.600 0.425 0.000 1.105 284 S CA -0.694 57.705 58.200 0.332 0.000 0.899 284 S CB 1.497 64.836 63.200 0.232 0.000 1.100 284 S HN 0.665 nan 8.310 nan 0.000 0.482 285 Y N 1.916 122.418 120.300 0.337 0.000 2.396 285 Y HA 0.416 4.966 4.550 -0.000 0.000 0.332 285 Y C -0.659 175.380 175.900 0.232 0.000 1.034 285 Y CA -0.441 57.845 58.100 0.311 0.000 1.057 285 Y CB 1.318 40.028 38.460 0.417 0.000 1.220 285 Y HN 0.608 nan 8.280 nan 0.000 0.440 286 Q N 6.411 125.939 119.800 -0.453 0.000 2.274 286 Q HA 0.521 4.861 4.340 -0.000 0.000 0.256 286 Q C -1.267 174.471 176.000 -0.437 0.000 0.927 286 Q CA -0.487 55.009 55.803 -0.511 0.000 0.939 286 Q CB 0.816 29.204 28.738 -0.584 0.000 1.201 286 Q HN 0.772 nan 8.270 nan 0.000 0.426 287 I N 4.072 124.563 120.570 -0.130 0.000 2.359 287 I HA 0.295 4.465 4.170 -0.000 0.000 0.294 287 I C -0.405 175.702 176.117 -0.016 0.000 0.987 287 I CA -0.804 60.534 61.300 0.062 0.000 1.225 287 I CB 1.651 39.771 38.000 0.200 0.000 1.366 287 I HN 0.357 nan 8.210 nan 0.000 0.466 288 V N 7.631 127.489 119.914 -0.093 0.000 2.732 288 V HA 0.431 4.551 4.120 -0.000 0.000 0.310 288 V C -1.932 173.908 176.094 -0.423 0.000 1.053 288 V CA -1.569 60.581 62.300 -0.250 0.000 0.957 288 V CB 1.639 33.320 31.823 -0.236 0.000 1.018 288 V HN 0.626 nan 8.190 nan 0.000 0.452 289 P HA 0.298 nan 4.420 nan 0.000 0.274 289 P C -2.810 174.085 177.300 -0.676 0.000 1.246 289 P CA -1.558 60.746 63.100 -1.327 0.000 0.795 289 P CB -0.138 30.256 31.700 -2.178 0.000 1.006 290 P HA 0.020 nan 4.420 nan 0.000 0.270 290 P C 0.840 177.971 177.300 -0.281 0.000 1.223 290 P CA 0.118 63.060 63.100 -0.264 0.000 0.785 290 P CB 0.111 31.728 31.700 -0.139 0.000 0.923 291 A N 2.006 124.707 122.820 -0.198 0.000 1.917 291 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 291 A C 2.067 179.533 177.584 -0.196 0.000 1.182 291 A CA 2.498 54.423 52.037 -0.187 0.000 0.633 291 A CB -1.916 17.006 19.000 -0.130 0.000 0.819 291 A HN 0.632 nan 8.150 nan 0.000 0.448 292 S N -1.264 114.339 115.700 -0.162 0.000 2.500 292 S HA -0.021 4.448 4.470 -0.000 0.000 0.239 292 S C 1.347 175.764 174.600 -0.304 0.000 0.989 292 S CA 1.376 59.449 58.200 -0.212 0.000 0.951 292 S CB -0.168 62.968 63.200 -0.107 0.000 0.759 292 S HN 0.289 nan 8.310 nan 0.000 0.523 293 V N 0.194 119.941 119.914 -0.277 0.000 3.219 293 V HA 0.289 4.409 4.120 -0.000 0.000 0.240 293 V C 1.983 177.798 176.094 -0.466 0.000 1.222 293 V CA 0.186 62.294 62.300 -0.319 0.000 1.181 293 V CB -0.084 31.564 31.823 -0.292 0.000 0.941 293 V HN 0.412 nan 8.190 nan 0.000 0.471 294 L N 0.006 120.918 121.223 -0.520 0.000 2.127 294 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 294 L C 2.272 178.996 176.870 -0.243 0.000 1.089 294 L CA 1.729 56.271 54.840 -0.496 0.000 0.757 294 L CB -0.158 41.671 42.059 -0.384 0.000 0.899 294 L HN 0.318 nan 8.230 nan 0.000 0.434 295 I N -0.466 119.980 120.570 -0.206 0.000 2.315 295 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 295 I C 1.347 177.412 176.117 -0.087 0.000 1.125 295 I CA 1.282 62.501 61.300 -0.136 0.000 1.392 295 I CB -0.419 37.493 38.000 -0.147 0.000 1.065 295 I HN 0.356 nan 8.210 nan 0.000 0.424 296 G N -1.219 107.544 108.800 -0.061 0.000 3.086 296 G HA2 0.292 4.252 3.960 -0.000 0.000 0.282 296 G HA3 0.292 4.252 3.960 -0.000 0.000 0.282 296 G C -1.449 173.493 174.900 0.069 0.000 1.343 296 G CA -0.490 44.598 45.100 -0.020 0.000 0.895 296 G HN -0.134 nan 8.290 nan 0.000 0.557 297 D N 1.038 121.424 120.400 -0.024 0.000 2.443 297 D HA 0.390 5.030 4.640 -0.000 0.000 0.239 297 D C 0.326 176.546 176.300 -0.134 0.000 1.136 297 D CA 0.696 54.616 54.000 -0.133 0.000 0.879 297 D CB 0.507 41.198 40.800 -0.182 0.000 1.195 297 D HN 0.525 nan 8.370 nan 0.000 0.443 298 H N -0.864 118.047 119.070 -0.264 0.000 2.933 298 H HA 0.448 5.004 4.556 -0.000 0.000 0.310 298 H C -1.381 173.798 175.328 -0.248 0.000 1.351 298 H CA -0.801 55.102 56.048 -0.240 0.000 1.137 298 H CB 0.369 30.099 29.762 -0.052 0.000 1.853 298 H HN 0.297 nan 8.280 nan 0.000 0.539 299 Y N 0.004 120.536 120.300 0.386 0.000 2.553 299 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 299 Y C -0.407 175.863 175.900 0.617 0.000 1.019 299 Y CA -1.124 57.240 58.100 0.440 0.000 1.032 299 Y CB 2.046 40.611 38.460 0.175 0.000 1.284 299 Y HN 0.508 nan 8.280 nan 0.000 0.466 300 L N 3.159 124.868 121.223 0.811 0.000 2.265 300 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 300 L C 0.348 177.499 176.870 0.468 0.000 1.058 300 L CA -0.268 54.729 54.840 0.261 0.000 0.809 300 L CB 0.453 42.506 42.059 -0.011 0.000 1.179 300 L HN 0.958 nan 8.230 nan 0.000 0.429 301 C N 1.805 121.210 119.300 0.176 0.000 3.491 301 C HA 0.871 5.331 4.460 -0.000 0.000 0.298 301 C C 0.614 175.591 174.990 -0.021 0.000 1.424 301 C CA -0.041 59.123 59.018 0.244 0.000 1.772 301 C CB -0.941 26.911 27.740 0.187 0.000 2.447 301 C HN 0.992 nan 8.230 nan 0.000 0.670 302 G N 0.060 108.693 108.800 -0.279 0.000 2.691 302 G HA2 0.548 4.508 3.960 -0.000 0.000 0.298 302 G HA3 0.548 4.508 3.960 -0.000 0.000 0.298 302 G C -1.884 172.602 174.900 -0.690 0.000 1.471 302 G CA -0.181 44.657 45.100 -0.438 0.000 0.912 302 G HN 0.355 nan 8.290 nan 0.000 0.553 303 V N 0.839 120.272 119.914 -0.802 0.000 2.623 303 V HA 0.814 4.934 4.120 -0.000 0.000 0.304 303 V C -0.387 175.272 176.094 -0.724 0.000 1.054 303 V CA -0.640 61.042 62.300 -1.029 0.000 0.882 303 V CB 2.188 32.925 31.823 -1.809 0.000 1.002 303 V HN 0.911 nan 8.190 nan 0.000 0.424 304 T N 3.229 117.416 114.554 -0.611 0.000 2.937 304 T HA 0.351 4.701 4.350 -0.000 0.000 0.297 304 T C -1.000 173.459 174.700 -0.401 0.000 0.991 304 T CA -0.384 61.499 62.100 -0.362 0.000 0.990 304 T CB 0.888 69.631 68.868 -0.207 0.000 0.991 304 T HN 0.552 nan 8.240 nan 0.000 0.440 305 W N 3.100 124.298 121.300 -0.170 0.000 2.304 305 W HA 0.351 5.011 4.660 -0.000 0.000 0.313 305 W C 1.111 177.531 176.519 -0.164 0.000 1.323 305 W CA -0.364 56.908 57.345 -0.122 0.000 1.223 305 W CB 0.703 30.181 29.460 0.030 0.000 1.237 305 W HN 0.487 nan 8.180 nan 0.000 0.535 306 V N 2.071 121.960 119.914 -0.042 0.000 2.403 306 V HA 0.047 4.167 4.120 -0.000 0.000 0.239 306 V C 0.989 177.133 176.094 0.083 0.000 1.041 306 V CA 1.613 63.797 62.300 -0.192 0.000 1.051 306 V CB -0.463 31.012 31.823 -0.579 0.000 0.704 306 V HN 0.633 nan 8.190 nan 0.000 0.472 307 T N -4.193 110.477 114.554 0.193 0.000 2.778 307 T HA 0.359 4.709 4.350 -0.000 0.000 0.293 307 T C 0.458 175.375 174.700 0.361 0.000 1.144 307 T CA -0.532 61.705 62.100 0.229 0.000 1.010 307 T CB 2.009 70.985 68.868 0.180 0.000 1.325 307 T HN -0.029 nan 8.240 nan 0.000 0.515 308 E N 0.516 120.881 120.200 0.275 0.000 2.265 308 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 308 E C 0.977 177.904 176.600 0.544 0.000 0.996 308 E CA 1.174 57.763 56.400 0.316 0.000 0.832 308 E CB 0.072 29.887 29.700 0.192 0.000 0.756 308 E HN 0.774 nan 8.360 nan 0.000 0.491 309 E N -0.059 120.400 120.200 0.432 0.000 2.603 309 E HA 0.161 4.511 4.350 -0.000 0.000 0.211 309 E C 0.320 177.166 176.600 0.410 0.000 0.995 309 E CA -0.184 56.427 56.400 0.351 0.000 0.990 309 E CB 0.936 30.762 29.700 0.208 0.000 1.036 309 E HN -0.110 nan 8.360 nan 0.000 0.475 310 R N 1.542 122.338 120.500 0.493 0.000 2.533 310 R HA 0.522 4.862 4.340 -0.000 0.000 0.288 310 R C -1.859 174.492 176.300 0.085 0.000 1.039 310 R CA -0.483 55.786 56.100 0.282 0.000 0.909 310 R CB 1.412 31.771 30.300 0.099 0.000 1.195 310 R HN 0.079 nan 8.270 nan 0.000 0.438 311 I N 2.187 122.649 120.570 -0.179 0.000 2.647 311 I HA 0.406 4.576 4.170 -0.000 0.000 0.295 311 I C -1.274 174.508 176.117 -0.558 0.000 1.078 311 I CA -0.427 60.478 61.300 -0.657 0.000 1.048 311 I CB 2.379 39.578 38.000 -1.334 0.000 1.239 311 I HN 0.646 nan 8.210 nan 0.000 0.421 312 S N 7.379 122.695 115.700 -0.641 0.000 2.456 312 S HA 0.654 5.124 4.470 -0.000 0.000 0.316 312 S C -1.138 173.109 174.600 -0.588 0.000 1.089 312 S CA -0.577 57.317 58.200 -0.510 0.000 1.101 312 S CB 0.675 63.615 63.200 -0.432 0.000 0.995 312 S HN 0.439 nan 8.310 nan 0.000 0.468 313 L N 4.413 125.307 121.223 -0.548 0.000 2.322 313 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 313 L C 0.071 176.594 176.870 -0.578 0.000 1.014 313 L CA 0.003 54.392 54.840 -0.752 0.000 0.815 313 L CB 1.518 43.091 42.059 -0.810 0.000 1.247 313 L HN 0.779 nan 8.230 nan 0.000 0.421 314 Q N 2.305 121.705 119.800 -0.666 0.000 2.333 314 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 314 Q C -1.780 173.974 176.000 -0.410 0.000 1.007 314 Q CA -0.485 55.088 55.803 -0.383 0.000 0.810 314 Q CB 1.180 29.752 28.738 -0.277 0.000 1.264 314 Q HN 0.560 nan 8.270 nan 0.000 0.452 315 W N 4.563 125.838 121.300 -0.041 0.000 2.719 315 W HA 0.689 5.349 4.660 -0.000 0.000 0.352 315 W C -0.488 176.098 176.519 0.111 0.000 1.085 315 W CA -0.766 56.611 57.345 0.053 0.000 1.187 315 W CB 1.234 30.700 29.460 0.010 0.000 1.417 315 W HN 0.487 nan 8.180 nan 0.000 0.557 316 I N -0.664 120.181 120.570 0.459 0.000 2.722 316 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 316 I C -0.272 176.045 176.117 0.334 0.000 1.161 316 I CA -1.621 59.897 61.300 0.363 0.000 1.032 316 I CB 1.853 40.049 38.000 0.326 0.000 1.244 316 I HN 0.324 nan 8.210 nan 0.000 0.421 317 R N 2.442 123.097 120.500 0.258 0.000 2.738 317 R HA 0.236 4.576 4.340 -0.000 0.000 0.268 317 R C 1.184 177.521 176.300 0.061 0.000 1.062 317 R CA -0.396 55.777 56.100 0.122 0.000 1.158 317 R CB 0.761 31.096 30.300 0.059 0.000 1.046 317 R HN 0.677 nan 8.270 nan 0.000 0.493 318 R N 1.555 122.001 120.500 -0.090 0.000 2.159 318 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 318 R C 1.706 178.035 176.300 0.047 0.000 1.131 318 R CA 1.805 57.820 56.100 -0.141 0.000 0.982 318 R CB -0.206 29.971 30.300 -0.205 0.000 0.868 318 R HN 0.755 nan 8.270 nan 0.000 0.453 319 A N 0.276 123.117 122.820 0.035 0.000 1.972 319 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 319 A C 0.886 178.507 177.584 0.062 0.000 1.169 319 A CA 1.431 53.492 52.037 0.040 0.000 0.635 319 A CB -0.089 18.928 19.000 0.028 0.000 0.810 319 A HN 0.613 nan 8.150 nan 0.000 0.446 320 Q N -2.118 117.751 119.800 0.114 0.000 2.504 320 Q HA -0.203 4.137 4.340 -0.000 0.000 0.274 320 Q C -0.193 175.882 176.000 0.125 0.000 1.103 320 Q CA 0.683 56.564 55.803 0.129 0.000 0.962 320 Q CB -1.737 27.039 28.738 0.065 0.000 1.322 320 Q HN 0.981 nan 8.270 nan 0.000 0.500 321 N N -0.766 118.010 118.700 0.127 0.000 2.194 321 N HA 0.107 4.847 4.740 -0.000 0.000 0.231 321 N C -0.916 174.683 175.510 0.149 0.000 1.247 321 N CA -0.064 53.045 53.050 0.098 0.000 0.884 321 N CB 0.448 38.969 38.487 0.056 0.000 1.146 321 N HN 0.307 nan 8.380 nan 0.000 0.516 322 Y N 0.416 120.741 120.300 0.042 0.000 2.315 322 Y HA 0.613 5.163 4.550 -0.000 0.000 0.324 322 Y C -1.311 174.628 175.900 0.065 0.000 1.062 322 Y CA -1.048 57.076 58.100 0.040 0.000 1.159 322 Y CB 1.498 39.971 38.460 0.023 0.000 1.145 322 Y HN 0.020 nan 8.280 nan 0.000 0.442 323 S N 6.553 122.190 115.700 -0.106 0.000 2.566 323 S HA 0.821 5.291 4.470 -0.000 0.000 0.298 323 S C -1.648 172.875 174.600 -0.129 0.000 1.083 323 S CA -0.626 57.579 58.200 0.008 0.000 0.978 323 S CB 1.117 64.328 63.200 0.018 0.000 1.073 323 S HN 0.736 nan 8.310 nan 0.000 0.491 324 I N 3.444 124.037 120.570 0.038 0.000 2.692 324 I HA 0.541 4.711 4.170 -0.000 0.000 0.293 324 I C -1.674 174.480 176.117 0.062 0.000 1.200 324 I CA -0.926 60.387 61.300 0.022 0.000 1.036 324 I CB 1.562 39.622 38.000 0.099 0.000 1.258 324 I HN 0.677 nan 8.210 nan 0.000 0.421 325 I N 5.715 126.290 120.570 0.009 0.000 2.359 325 I HA 0.335 4.505 4.170 -0.000 0.000 0.294 325 I C -1.078 175.059 176.117 0.033 0.000 0.987 325 I CA -0.280 60.997 61.300 -0.038 0.000 1.225 325 I CB 1.557 39.464 38.000 -0.155 0.000 1.366 325 I HN 0.475 nan 8.210 nan 0.000 0.466 326 D N 7.234 127.638 120.400 0.007 0.000 2.481 326 D HA 0.440 5.080 4.640 -0.000 0.000 0.246 326 D C -0.825 175.449 176.300 -0.043 0.000 1.109 326 D CA -0.275 53.739 54.000 0.023 0.000 0.845 326 D CB 1.117 41.971 40.800 0.089 0.000 1.160 326 D HN 0.264 nan 8.370 nan 0.000 0.534 327 I N 4.251 124.821 120.570 0.001 0.000 2.306 327 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 327 I C -0.285 175.833 176.117 0.001 0.000 1.036 327 I CA -0.691 60.590 61.300 -0.032 0.000 1.221 327 I CB 0.819 38.853 38.000 0.057 0.000 1.385 327 I HN 0.313 nan 8.210 nan 0.000 0.472 328 C N 4.502 123.796 119.300 -0.011 0.000 2.350 328 C HA 0.426 4.886 4.460 -0.000 0.000 0.348 328 C C 0.004 175.128 174.990 0.223 0.000 1.260 328 C CA -0.768 58.314 59.018 0.106 0.000 1.966 328 C CB 0.523 28.352 27.740 0.148 0.000 2.380 328 C HN 0.577 nan 8.230 nan 0.000 0.535 329 D N 0.664 121.157 120.400 0.154 0.000 2.192 329 D HA 0.225 4.865 4.640 -0.000 0.000 0.246 329 D C -0.612 175.596 176.300 -0.154 0.000 1.042 329 D CA -0.200 53.844 54.000 0.073 0.000 0.847 329 D CB 1.144 41.950 40.800 0.011 0.000 1.186 329 D HN 0.604 nan 8.370 nan 0.000 0.461 330 Y N 1.635 121.556 120.300 -0.632 0.000 2.402 330 Y HA 0.138 4.688 4.550 -0.000 0.000 0.333 330 Y C -0.044 175.514 175.900 -0.570 0.000 1.076 330 Y CA -0.267 57.138 58.100 -1.159 0.000 1.299 330 Y CB 0.647 38.207 38.460 -1.500 0.000 1.197 330 Y HN 0.145 nan 8.280 nan 0.000 0.517 331 D N 5.288 125.061 120.400 -1.046 0.000 2.396 331 D HA 0.110 4.750 4.640 -0.000 0.000 0.225 331 D C 0.411 176.121 176.300 -0.985 0.000 1.121 331 D CA -0.102 53.463 54.000 -0.724 0.000 0.853 331 D CB 0.800 41.300 40.800 -0.500 0.000 1.043 331 D HN 0.787 nan 8.370 nan 0.000 0.500 332 E N 1.383 121.201 120.200 -0.636 0.000 2.204 332 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 332 E C 1.644 178.097 176.600 -0.246 0.000 0.990 332 E CA 1.100 57.269 56.400 -0.385 0.000 0.821 332 E CB 0.107 29.774 29.700 -0.054 0.000 0.750 332 E HN 0.557 nan 8.360 nan 0.000 0.477 333 S N 0.134 115.698 115.700 -0.226 0.000 2.461 333 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 333 S C 2.005 176.523 174.600 -0.136 0.000 1.005 333 S CA 1.253 59.371 58.200 -0.136 0.000 0.942 333 S CB -0.075 63.062 63.200 -0.105 0.000 0.776 333 S HN 0.324 nan 8.310 nan 0.000 0.514 334 T N -4.387 110.035 114.554 -0.219 0.000 2.975 334 T HA 0.533 4.883 4.350 -0.000 0.000 0.261 334 T C 1.539 176.125 174.700 -0.190 0.000 0.984 334 T CA 0.649 62.650 62.100 -0.166 0.000 0.911 334 T CB 0.070 68.843 68.868 -0.158 0.000 1.127 334 T HN 1.158 nan 8.240 nan 0.000 0.514 335 G N 2.078 110.651 108.800 -0.379 0.000 2.168 335 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.263 335 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.263 335 G C 0.188 174.855 174.900 -0.388 0.000 0.977 335 G CA 0.163 45.093 45.100 -0.285 0.000 0.659 335 G HN 0.707 nan 8.290 nan 0.000 0.533 336 R N -1.413 118.717 120.500 -0.617 0.000 2.560 336 R HA 0.479 4.818 4.340 -0.000 0.000 0.270 336 R C -0.589 175.138 176.300 -0.955 0.000 1.074 336 R CA -0.354 55.176 56.100 -0.951 0.000 1.140 336 R CB 0.526 30.450 30.300 -0.628 0.000 1.073 336 R HN 0.218 nan 8.270 nan 0.000 0.527 337 W N 2.290 123.058 121.300 -0.886 0.000 2.318 337 W HA 0.413 5.073 4.660 -0.000 0.000 0.315 337 W C -0.467 175.944 176.519 -0.180 0.000 1.033 337 W CA -0.282 56.885 57.345 -0.297 0.000 1.275 337 W CB 0.753 30.168 29.460 -0.076 0.000 1.250 337 W HN 0.268 nan 8.180 nan 0.000 0.421 338 I N 2.915 123.478 120.570 -0.012 0.000 2.385 338 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 338 I C 0.560 176.705 176.117 0.048 0.000 0.988 338 I CA -0.567 60.737 61.300 0.006 0.000 1.265 338 I CB 1.629 39.587 38.000 -0.069 0.000 1.388 338 I HN 0.206 nan 8.210 nan 0.000 0.480 339 S N 3.593 119.320 115.700 0.044 0.000 2.608 339 S HA 0.645 5.115 4.470 -0.000 0.000 0.291 339 S C -0.653 173.951 174.600 0.006 0.000 1.146 339 S CA -0.357 57.860 58.200 0.029 0.000 1.043 339 S CB 1.401 64.615 63.200 0.023 0.000 1.037 339 S HN 0.624 nan 8.310 nan 0.000 0.520 340 S N 2.312 118.011 115.700 -0.001 0.000 2.546 340 S HA 0.374 4.844 4.470 -0.000 0.000 0.272 340 S C 0.600 175.183 174.600 -0.027 0.000 1.140 340 S CA -0.717 57.476 58.200 -0.012 0.000 0.920 340 S CB 1.268 64.466 63.200 -0.004 0.000 1.083 340 S HN 0.537 nan 8.310 nan 0.000 0.476 341 V N 4.285 124.178 119.914 -0.036 0.000 2.568 341 V HA -0.147 3.973 4.120 -0.000 0.000 0.253 341 V C 2.623 178.672 176.094 -0.075 0.000 1.072 341 V CA 2.444 64.713 62.300 -0.052 0.000 1.084 341 V CB -1.086 30.711 31.823 -0.043 0.000 0.676 341 V HN 0.913 nan 8.190 nan 0.000 0.469 342 A N -0.301 122.487 122.820 -0.054 0.000 2.014 342 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 342 A C 2.151 179.693 177.584 -0.071 0.000 1.163 342 A CA 0.981 52.986 52.037 -0.054 0.000 0.652 342 A CB -0.282 18.708 19.000 -0.016 0.000 0.808 342 A HN 0.516 nan 8.150 nan 0.000 0.449 343 R N -0.198 120.275 120.500 -0.045 0.000 2.515 343 R HA 0.179 4.519 4.340 -0.000 0.000 0.294 343 R C -0.525 175.739 176.300 -0.060 0.000 1.021 343 R CA -0.009 56.104 56.100 0.023 0.000 1.081 343 R CB 0.242 30.593 30.300 0.086 0.000 1.263 343 R HN 0.602 nan 8.270 nan 0.000 0.557 344 Q N 0.041 119.674 119.800 -0.278 0.000 2.309 344 Q HA 0.318 4.658 4.340 -0.000 0.000 0.264 344 Q C -1.136 174.515 176.000 -0.582 0.000 1.008 344 Q CA -0.630 55.026 55.803 -0.245 0.000 0.853 344 Q CB 2.101 30.770 28.738 -0.116 0.000 1.314 344 Q HN 0.216 nan 8.270 nan 0.000 0.448 345 H N 0.869 119.925 119.070 -0.023 0.000 2.823 345 H HA 0.409 4.965 4.556 -0.000 0.000 0.332 345 H C -0.854 174.416 175.328 -0.097 0.000 0.980 345 H CA -0.381 55.641 56.048 -0.043 0.000 1.286 345 H CB 1.000 30.714 29.762 -0.080 0.000 1.541 345 H HN 0.426 nan 8.280 nan 0.000 0.521 346 I N 2.209 122.757 120.570 -0.035 0.000 2.396 346 I HA 0.216 4.386 4.170 -0.000 0.000 0.292 346 I C 0.166 176.192 176.117 -0.152 0.000 0.999 346 I CA -0.104 61.083 61.300 -0.187 0.000 1.310 346 I CB 1.208 39.069 38.000 -0.231 0.000 1.404 346 I HN 0.611 nan 8.210 nan 0.000 0.496 347 E N 7.738 127.794 120.200 -0.238 0.000 2.265 347 E HA 0.557 4.907 4.350 -0.000 0.000 0.262 347 E C -1.386 175.110 176.600 -0.174 0.000 0.889 347 E CA -0.600 55.726 56.400 -0.123 0.000 0.789 347 E CB 1.787 31.457 29.700 -0.050 0.000 1.221 347 E HN 0.630 nan 8.360 nan 0.000 0.414 348 I N 0.332 120.837 120.570 -0.110 0.000 3.206 348 I HA 0.730 4.900 4.170 -0.000 0.000 0.313 348 I C -0.997 175.104 176.117 -0.026 0.000 1.103 348 I CA -0.833 60.427 61.300 -0.067 0.000 0.985 348 I CB 2.409 40.391 38.000 -0.030 0.000 1.240 348 I HN 0.334 nan 8.210 nan 0.000 0.464 349 S N 0.384 116.072 115.700 -0.019 0.000 2.672 349 S HA 0.422 4.892 4.470 -0.000 0.000 0.291 349 S C 0.361 174.933 174.600 -0.045 0.000 1.145 349 S CA 0.038 58.209 58.200 -0.049 0.000 1.013 349 S CB 1.259 64.388 63.200 -0.118 0.000 1.017 349 S HN 0.905 nan 8.310 nan 0.000 0.487 350 T N 0.343 114.876 114.554 -0.036 0.000 3.051 350 T HA 0.012 4.362 4.350 -0.000 0.000 0.255 350 T C 1.588 176.257 174.700 -0.050 0.000 1.085 350 T CA 1.098 63.182 62.100 -0.028 0.000 1.109 350 T CB -0.454 68.406 68.868 -0.012 0.000 0.921 350 T HN 0.678 nan 8.240 nan 0.000 0.488 351 T N -2.184 112.329 114.554 -0.069 0.000 3.044 351 T HA 0.611 4.961 4.350 -0.000 0.000 0.250 351 T C 1.156 175.696 174.700 -0.267 0.000 1.081 351 T CA 0.383 62.440 62.100 -0.072 0.000 1.040 351 T CB 0.347 69.243 68.868 0.045 0.000 0.962 351 T HN 0.614 nan 8.240 nan 0.000 0.506 352 G N 0.535 109.034 108.800 -0.502 0.000 2.818 352 G HA2 0.461 4.421 3.960 -0.000 0.000 0.109 352 G HA3 0.461 4.421 3.960 -0.000 0.000 0.109 352 G C -1.694 172.961 174.900 -0.407 0.000 1.206 352 G CA -0.441 44.204 45.100 -0.758 0.000 1.243 352 G HN 0.534 nan 8.290 nan 0.000 0.609 353 W N 0.016 121.003 121.300 -0.521 0.000 2.671 353 W HA 0.803 5.463 4.660 -0.000 0.000 0.360 353 W C -0.517 175.930 176.519 -0.120 0.000 1.128 353 W CA -1.411 55.783 57.345 -0.253 0.000 1.184 353 W CB 1.140 30.436 29.460 -0.274 0.000 1.415 353 W HN 0.282 nan 8.180 nan 0.000 0.604 354 V N 3.500 123.470 119.914 0.092 0.000 2.461 354 V HA 0.605 4.725 4.120 -0.000 0.000 0.275 354 V C 0.920 177.086 176.094 0.120 0.000 1.047 354 V CA 0.859 63.185 62.300 0.045 0.000 0.955 354 V CB -0.055 31.808 31.823 0.066 0.000 0.988 354 V HN 1.280 nan 8.190 nan 0.000 0.471 355 G N 5.873 114.695 108.800 0.037 0.000 2.693 355 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.226 355 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.226 355 G C 0.433 175.417 174.900 0.140 0.000 1.354 355 G CA 0.395 45.548 45.100 0.089 0.000 0.873 355 G HN 0.612 nan 8.290 nan 0.000 0.562 356 R N -1.418 119.179 120.500 0.163 0.000 2.041 356 R HA 0.305 4.644 4.340 -0.000 0.000 0.221 356 R C 2.047 178.345 176.300 -0.004 0.000 1.196 356 R CA 1.768 57.927 56.100 0.098 0.000 0.969 356 R CB -0.105 30.260 30.300 0.109 0.000 0.858 356 R HN 0.402 nan 8.270 nan 0.000 0.444 357 F N 0.108 120.216 119.950 0.263 0.000 2.746 357 F HA 0.304 4.831 4.527 -0.000 0.000 0.320 357 F C 0.255 176.133 175.800 0.130 0.000 1.097 357 F CA -0.429 57.686 58.000 0.192 0.000 1.195 357 F CB 0.749 39.874 39.000 0.208 0.000 1.056 357 F HN -0.014 nan 8.300 nan 0.000 0.562 358 R N -0.962 119.710 120.500 0.286 0.000 2.828 358 R HA 0.327 4.667 4.340 -0.000 0.000 0.280 358 R C -3.434 172.972 176.300 0.177 0.000 1.020 358 R CA -1.647 54.572 56.100 0.198 0.000 0.855 358 R CB 0.374 30.784 30.300 0.184 0.000 1.278 358 R HN -0.351 nan 8.270 nan 0.000 0.495 359 P HA 0.120 nan 4.420 nan 0.000 0.271 359 P C -0.292 177.064 177.300 0.092 0.000 1.216 359 P CA -0.051 63.107 63.100 0.097 0.000 0.776 359 P CB 0.995 32.732 31.700 0.063 0.000 0.881 360 A N 3.751 126.631 122.820 0.100 0.000 2.466 360 A HA 0.119 4.439 4.320 -0.000 0.000 0.238 360 A C 0.665 178.300 177.584 0.086 0.000 1.074 360 A CA -0.206 51.904 52.037 0.121 0.000 0.774 360 A CB -0.158 18.926 19.000 0.140 0.000 1.015 360 A HN 0.536 nan 8.150 nan 0.000 0.498 361 E N 2.158 122.422 120.200 0.106 0.000 2.319 361 E HA 0.349 4.699 4.350 -0.000 0.000 0.268 361 E C -2.482 174.148 176.600 0.050 0.000 1.050 361 E CA -1.712 54.696 56.400 0.014 0.000 0.878 361 E CB 0.443 30.118 29.700 -0.043 0.000 1.066 361 E HN 0.495 nan 8.360 nan 0.000 0.406 362 P HA 0.176 nan 4.420 nan 0.000 0.282 362 P C -0.723 176.489 177.300 -0.147 0.000 1.249 362 P CA -0.184 62.827 63.100 -0.148 0.000 0.806 362 P CB 0.913 32.168 31.700 -0.742 0.000 0.984 363 H N 2.389 121.486 119.070 0.045 0.000 2.792 363 H HA 0.282 4.838 4.556 0.000 0.000 0.298 363 H C -0.214 175.235 175.328 0.201 0.000 1.042 363 H CA -0.345 55.808 56.048 0.175 0.000 1.300 363 H CB 0.265 30.142 29.762 0.193 0.000 1.431 363 H HN 0.301 nan 8.280 nan 0.000 0.496 364 F N 1.668 121.773 119.950 0.258 0.000 2.382 364 F HA 0.073 4.600 4.527 0.000 0.000 0.331 364 F C 1.679 177.645 175.800 0.277 0.000 1.121 364 F CA -0.433 57.733 58.000 0.277 0.000 1.183 364 F CB 0.863 39.955 39.000 0.153 0.000 1.207 364 F HN 0.350 nan 8.300 nan 0.000 0.555 365 T N -1.775 113.057 114.554 0.463 0.000 2.788 365 T HA 0.127 4.477 4.350 -0.000 0.000 0.287 365 T C 1.184 176.060 174.700 0.294 0.000 1.007 365 T CA -0.528 61.777 62.100 0.343 0.000 1.005 365 T CB 0.945 69.996 68.868 0.304 0.000 1.012 365 T HN 0.515 nan 8.240 nan 0.000 0.530 366 S N 1.114 116.946 115.700 0.219 0.000 2.374 366 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 366 S C 1.849 176.554 174.600 0.174 0.000 1.037 366 S CA 1.602 59.911 58.200 0.181 0.000 1.024 366 S CB -0.598 62.687 63.200 0.142 0.000 0.861 366 S HN 0.938 nan 8.310 nan 0.000 0.456 367 D N 0.353 120.857 120.400 0.173 0.000 2.269 367 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 367 D C 1.470 177.878 176.300 0.179 0.000 0.963 367 D CA 0.921 55.015 54.000 0.156 0.000 0.864 367 D CB -0.488 40.395 40.800 0.140 0.000 0.936 367 D HN 0.516 nan 8.370 nan 0.000 0.505 368 G N 1.361 110.307 108.800 0.245 0.000 2.148 368 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 368 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 368 G C 0.655 175.755 174.900 0.333 0.000 0.981 368 G CA 0.461 45.740 45.100 0.299 0.000 0.670 368 G HN 0.443 nan 8.290 nan 0.000 0.528 369 N N 0.007 118.865 118.700 0.264 0.000 2.463 369 N HA 0.316 5.056 4.740 -0.000 0.000 0.181 369 N C 0.855 176.484 175.510 0.199 0.000 1.078 369 N CA 0.836 54.012 53.050 0.210 0.000 0.902 369 N CB 0.268 38.841 38.487 0.143 0.000 0.970 369 N HN 0.748 nan 8.380 nan 0.000 0.451 370 S N -0.459 115.386 115.700 0.242 0.000 2.588 370 S HA 0.675 5.145 4.470 -0.000 0.000 0.269 370 S C -1.285 173.385 174.600 0.117 0.000 1.157 370 S CA -1.137 57.110 58.200 0.078 0.000 0.824 370 S CB 1.218 64.412 63.200 -0.011 0.000 1.126 370 S HN 0.159 nan 8.310 nan 0.000 0.464 371 F N -1.508 118.253 119.950 -0.315 0.000 2.662 371 F HA 0.867 5.395 4.527 0.000 0.000 0.312 371 F C -2.163 173.425 175.800 -0.353 0.000 1.113 371 F CA -1.469 56.260 58.000 -0.451 0.000 0.951 371 F CB 0.678 38.890 39.000 -1.314 0.000 1.344 371 F HN 0.609 nan 8.300 nan 0.000 0.462 372 Y N 1.096 121.493 120.300 0.161 0.000 2.429 372 Y HA 0.700 5.250 4.550 -0.000 0.000 0.342 372 Y C -0.343 175.710 175.900 0.255 0.000 1.004 372 Y CA -0.985 57.200 58.100 0.142 0.000 1.075 372 Y CB 2.241 40.733 38.460 0.054 0.000 1.214 372 Y HN 0.780 nan 8.280 nan 0.000 0.455 373 K N 2.667 123.287 120.400 0.367 0.000 2.557 373 K HA 0.513 4.833 4.320 -0.000 0.000 0.261 373 K C -1.855 174.894 176.600 0.248 0.000 0.932 373 K CA -0.541 55.940 56.287 0.323 0.000 0.829 373 K CB 1.633 34.316 32.500 0.305 0.000 1.358 373 K HN 0.738 nan 8.250 nan 0.000 0.430 374 I N 5.870 126.551 120.570 0.186 0.000 2.496 374 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 374 I C 0.236 176.449 176.117 0.160 0.000 1.080 374 I CA -0.303 61.084 61.300 0.145 0.000 1.404 374 I CB 0.408 38.469 38.000 0.102 0.000 1.403 374 I HN 0.518 nan 8.210 nan 0.000 0.539 375 I N 1.243 121.929 120.570 0.193 0.000 3.006 375 I HA 0.455 4.625 4.170 -0.000 0.000 0.306 375 I C -0.476 175.761 176.117 0.199 0.000 1.250 375 I CA -0.845 60.566 61.300 0.184 0.000 0.996 375 I CB 2.097 40.224 38.000 0.211 0.000 1.261 375 I HN 0.240 nan 8.210 nan 0.000 0.442 376 S N 3.061 118.823 115.700 0.103 0.000 2.549 376 S HA 0.186 4.656 4.470 -0.000 0.000 0.283 376 S C -0.015 174.648 174.600 0.105 0.000 1.320 376 S CA -0.478 57.738 58.200 0.025 0.000 1.058 376 S CB 0.077 63.242 63.200 -0.058 0.000 0.882 376 S HN 0.792 nan 8.310 nan 0.000 0.498 377 N N 2.161 120.822 118.700 -0.064 0.000 2.476 377 N HA 0.203 4.942 4.740 -0.000 0.000 0.287 377 N C 0.510 175.944 175.510 -0.127 0.000 1.262 377 N CA -0.617 52.273 53.050 -0.267 0.000 0.980 377 N CB -0.037 37.906 38.487 -0.906 0.000 1.163 377 N HN 0.330 nan 8.380 nan 0.000 0.592 378 E N -0.451 119.665 120.200 -0.141 0.000 2.219 378 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 378 E C 0.599 177.157 176.600 -0.069 0.000 0.998 378 E CA 1.419 57.777 56.400 -0.071 0.000 0.818 378 E CB -0.155 29.505 29.700 -0.068 0.000 0.741 378 E HN 0.669 nan 8.360 nan 0.000 0.477 379 E N -1.155 119.000 120.200 -0.075 0.000 2.474 379 E HA 0.146 4.496 4.350 -0.000 0.000 0.195 379 E C 0.724 177.305 176.600 -0.033 0.000 1.039 379 E CA 0.361 56.759 56.400 -0.003 0.000 0.881 379 E CB 0.578 30.325 29.700 0.078 0.000 0.970 379 E HN 0.339 nan 8.360 nan 0.000 0.486 380 G N 1.141 109.871 108.800 -0.116 0.000 2.175 380 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 380 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 380 G C -0.262 174.389 174.900 -0.415 0.000 0.982 380 G CA -0.104 44.835 45.100 -0.270 0.000 0.641 380 G HN 0.226 nan 8.290 nan 0.000 0.527 381 Y N 0.706 120.896 120.300 -0.184 0.000 2.342 381 Y HA 0.567 5.117 4.550 -0.000 0.000 0.334 381 Y C 0.906 176.665 175.900 -0.235 0.000 1.067 381 Y CA -0.650 57.326 58.100 -0.206 0.000 1.128 381 Y CB 1.207 39.564 38.460 -0.171 0.000 1.200 381 Y HN -0.009 nan 8.280 nan 0.000 0.464 382 K N 4.335 124.617 120.400 -0.196 0.000 2.349 382 K HA 0.224 4.544 4.320 -0.000 0.000 0.289 382 K C -0.782 175.520 176.600 -0.497 0.000 1.064 382 K CA -0.038 56.124 56.287 -0.208 0.000 0.947 382 K CB 0.188 32.610 32.500 -0.130 0.000 1.007 382 K HN 0.621 nan 8.250 nan 0.000 0.478 383 H N 1.455 120.485 119.070 -0.067 0.000 2.946 383 H HA 0.333 4.889 4.556 -0.000 0.000 0.365 383 H C -0.278 175.097 175.328 0.078 0.000 1.197 383 H CA -0.922 55.056 56.048 -0.117 0.000 1.131 383 H CB 1.363 30.937 29.762 -0.314 0.000 1.849 383 H HN 0.333 nan 8.280 nan 0.000 0.555 384 I N 1.357 121.987 120.570 0.100 0.000 2.471 384 I HA 0.023 4.193 4.170 -0.000 0.000 0.286 384 I C 0.482 176.643 176.117 0.074 0.000 1.079 384 I CA 0.179 61.514 61.300 0.060 0.000 1.398 384 I CB 0.314 38.257 38.000 -0.095 0.000 1.403 384 I HN 0.159 nan 8.210 nan 0.000 0.530 385 c N 6.673 125.230 118.600 -0.072 0.000 2.391 385 c HA 0.332 4.902 4.570 -0.000 0.000 0.339 385 c C 0.036 173.897 174.090 -0.381 0.000 1.205 385 c CA -0.409 55.614 56.329 -0.509 0.000 1.937 385 c CB 0.705 42.567 42.510 -1.080 0.000 2.341 385 c HN 0.751 nan 8.230 nan 0.000 0.516 386 H N 3.652 122.342 119.070 -0.633 0.000 2.556 386 H HA 0.486 5.042 4.556 -0.000 0.000 0.310 386 H C -1.290 173.508 175.328 -0.884 0.000 1.057 386 H CA -0.328 55.283 56.048 -0.729 0.000 1.264 386 H CB 0.497 29.965 29.762 -0.490 0.000 1.404 386 H HN 0.581 nan 8.280 nan 0.000 0.462 387 F N 2.470 121.726 119.950 -1.157 0.000 2.458 387 F HA 0.265 4.792 4.527 0.000 0.000 0.330 387 F C 0.291 175.389 175.800 -1.170 0.000 1.082 387 F CA -0.725 56.518 58.000 -1.261 0.000 0.995 387 F CB 1.802 39.613 39.000 -1.982 0.000 1.170 387 F HN 0.472 nan 8.300 nan 0.000 0.478 388 Q N 0.957 120.443 119.800 -0.523 0.000 2.257 388 Q HA 0.213 4.553 4.340 -0.000 0.000 0.255 388 Q C 0.828 176.810 176.000 -0.030 0.000 0.920 388 Q CA -0.324 55.306 55.803 -0.288 0.000 0.927 388 Q CB 1.872 30.494 28.738 -0.193 0.000 1.229 388 Q HN 0.777 nan 8.270 nan 0.000 0.433 389 T N 1.182 115.808 114.554 0.121 0.000 2.721 389 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 389 T C 0.726 175.656 174.700 0.384 0.000 1.038 389 T CA 1.963 64.277 62.100 0.356 0.000 1.145 389 T CB -0.118 68.977 68.868 0.378 0.000 0.858 389 T HN 0.703 nan 8.240 nan 0.000 0.459 390 D N 0.154 120.686 120.400 0.220 0.000 2.643 390 D HA 0.173 4.813 4.640 -0.000 0.000 0.244 390 D C 0.045 176.405 176.300 0.100 0.000 1.257 390 D CA -0.367 53.725 54.000 0.153 0.000 0.831 390 D CB 0.201 41.057 40.800 0.093 0.000 1.043 390 D HN 0.077 nan 8.370 nan 0.000 0.488 391 K N -0.429 120.059 120.400 0.146 0.000 2.477 391 K HA 0.335 4.655 4.320 -0.000 0.000 0.255 391 K C 0.597 177.276 176.600 0.131 0.000 0.952 391 K CA -0.567 55.762 56.287 0.071 0.000 0.826 391 K CB 1.907 34.409 32.500 0.003 0.000 1.331 391 K HN -0.012 nan 8.250 nan 0.000 0.437 392 S N -0.559 115.175 115.700 0.056 0.000 2.486 392 S HA -0.054 4.416 4.470 -0.000 0.000 0.220 392 S C 0.472 175.117 174.600 0.074 0.000 1.011 392 S CA -0.030 58.229 58.200 0.098 0.000 0.921 392 S CB -0.504 62.706 63.200 0.018 0.000 0.785 392 S HN 0.702 nan 8.310 nan 0.000 0.517 393 N N 1.386 120.064 118.700 -0.036 0.000 2.530 393 N HA 0.493 5.233 4.740 -0.000 0.000 0.277 393 N C -0.084 175.238 175.510 -0.312 0.000 1.168 393 N CA -0.515 52.451 53.050 -0.140 0.000 0.979 393 N CB 1.012 39.425 38.487 -0.123 0.000 1.141 393 N HN 0.498 nan 8.380 nan 0.000 0.459 394 c N -0.743 117.541 118.600 -0.526 0.000 2.913 394 c HA 0.814 5.384 4.570 -0.000 0.000 0.322 394 c C -0.489 173.220 174.090 -0.636 0.000 1.292 394 c CA -0.687 55.124 56.329 -0.862 0.000 1.649 394 c CB 1.146 42.556 42.510 -1.833 0.000 2.139 394 c HN 0.741 nan 8.230 nan 0.000 0.475 395 T N 1.664 115.871 114.554 -0.579 0.000 2.841 395 T HA 0.525 4.875 4.350 -0.000 0.000 0.285 395 T C -0.792 173.712 174.700 -0.327 0.000 0.991 395 T CA 0.111 62.024 62.100 -0.312 0.000 0.966 395 T CB 0.573 69.396 68.868 -0.076 0.000 0.962 395 T HN 0.499 nan 8.240 nan 0.000 0.438 396 F N 2.789 122.621 119.950 -0.195 0.000 2.471 396 F HA 0.317 4.844 4.527 0.000 0.000 0.353 396 F C 1.647 177.283 175.800 -0.273 0.000 1.113 396 F CA -0.780 57.087 58.000 -0.222 0.000 1.262 396 F CB 0.568 39.441 39.000 -0.212 0.000 1.146 396 F HN 0.586 nan 8.300 nan 0.000 0.578 397 I N -1.156 119.292 120.570 -0.203 0.000 4.082 397 I HA 0.283 4.453 4.170 -0.000 0.000 0.337 397 I C 0.008 175.922 176.117 -0.338 0.000 1.352 397 I CA 0.039 60.972 61.300 -0.612 0.000 1.097 397 I CB 0.191 37.515 38.000 -1.125 0.000 1.048 397 I HN 0.510 nan 8.210 nan 0.000 0.393 398 T N -0.122 114.301 114.554 -0.219 0.000 2.883 398 T HA 0.729 5.079 4.350 -0.000 0.000 0.301 398 T C -0.875 173.453 174.700 -0.620 0.000 1.158 398 T CA -0.613 61.346 62.100 -0.236 0.000 1.007 398 T CB 2.838 71.627 68.868 -0.131 0.000 1.186 398 T HN 0.344 nan 8.240 nan 0.000 0.499 399 K N -0.043 119.793 120.400 -0.941 0.000 2.685 399 K HA 0.749 5.069 4.320 -0.000 0.000 0.290 399 K C -0.518 175.398 176.600 -1.139 0.000 1.018 399 K CA -0.270 55.120 56.287 -1.494 0.000 0.860 399 K CB 1.218 33.263 32.500 -0.760 0.000 1.498 399 K HN 1.950 nan 8.250 nan 0.000 0.390 400 G N -0.720 107.436 108.800 -1.073 0.000 2.347 400 G HA2 0.437 4.397 3.960 -0.000 0.000 0.321 400 G HA3 0.437 4.397 3.960 -0.000 0.000 0.321 400 G C -1.229 173.140 174.900 -0.884 0.000 1.412 400 G CA -0.226 44.448 45.100 -0.711 0.000 0.990 400 G HN 1.032 nan 8.290 nan 0.000 0.637 401 A N 1.131 123.604 122.820 -0.578 0.000 3.077 401 A HA 0.616 4.936 4.320 -0.000 0.000 0.255 401 A C 0.343 177.718 177.584 -0.348 0.000 1.728 401 A CA 0.665 52.147 52.037 -0.925 0.000 1.383 401 A CB -1.228 17.513 19.000 -0.432 0.000 1.097 401 A HN 1.689 nan 8.150 nan 0.000 0.634 402 W N -1.030 120.088 121.300 -0.304 0.000 2.895 402 W HA 0.641 5.301 4.660 -0.000 0.000 0.377 402 W C -1.148 175.394 176.519 0.038 0.000 1.191 402 W CA -0.778 56.574 57.345 0.011 0.000 1.179 402 W CB 0.372 29.829 29.460 -0.004 0.000 1.469 402 W HN 0.223 nan 8.180 nan 0.000 0.577 403 E N 0.737 121.152 120.200 0.358 0.000 2.340 403 E HA 0.444 4.794 4.350 -0.000 0.000 0.273 403 E C -1.248 175.473 176.600 0.203 0.000 0.891 403 E CA -1.148 55.262 56.400 0.016 0.000 0.757 403 E CB 3.409 33.152 29.700 0.073 0.000 1.231 403 E HN 0.150 nan 8.360 nan 0.000 0.439 404 V N 3.760 123.659 119.914 -0.025 0.000 2.488 404 V HA 0.009 4.129 4.120 -0.000 0.000 0.277 404 V C 1.225 177.415 176.094 0.159 0.000 1.046 404 V CA -0.058 62.325 62.300 0.138 0.000 0.986 404 V CB 0.598 32.394 31.823 -0.044 0.000 0.989 404 V HN 0.683 nan 8.190 nan 0.000 0.475 405 I N 3.353 124.053 120.570 0.217 0.000 2.277 405 I HA 0.211 4.381 4.170 -0.000 0.000 0.243 405 I C 1.148 177.385 176.117 0.200 0.000 1.094 405 I CA 1.281 62.707 61.300 0.210 0.000 1.393 405 I CB -0.951 37.125 38.000 0.127 0.000 1.078 405 I HN 0.748 nan 8.210 nan 0.000 0.417 406 G N 0.355 109.268 108.800 0.188 0.000 2.632 406 G HA2 0.547 4.507 3.960 -0.000 0.000 0.292 406 G HA3 0.547 4.507 3.960 -0.000 0.000 0.292 406 G C -1.245 173.725 174.900 0.117 0.000 1.465 406 G CA -0.599 44.595 45.100 0.157 0.000 0.824 406 G HN -0.033 nan 8.290 nan 0.000 0.509 407 I N 1.312 121.859 120.570 -0.037 0.000 2.342 407 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 407 I C 0.769 176.790 176.117 -0.161 0.000 1.010 407 I CA -0.552 60.625 61.300 -0.205 0.000 1.308 407 I CB 1.857 39.450 38.000 -0.677 0.000 1.400 407 I HN 0.507 nan 8.210 nan 0.000 0.488 408 E N 4.405 124.583 120.200 -0.035 0.000 2.201 408 E HA 0.294 4.644 4.350 -0.000 0.000 0.193 408 E C 0.126 176.659 176.600 -0.111 0.000 0.957 408 E CA 0.330 56.738 56.400 0.013 0.000 0.858 408 E CB 0.888 30.647 29.700 0.098 0.000 0.816 408 E HN 0.738 nan 8.360 nan 0.000 0.475 409 A N 0.386 123.056 122.820 -0.250 0.000 2.612 409 A HA 0.623 4.943 4.320 -0.000 0.000 0.293 409 A C -1.954 175.577 177.584 -0.088 0.000 1.075 409 A CA -0.590 51.272 52.037 -0.291 0.000 0.680 409 A CB 1.366 19.779 19.000 -0.978 0.000 1.279 409 A HN 0.042 nan 8.150 nan 0.000 0.411 410 L N 1.082 122.305 121.223 0.001 0.000 2.470 410 L HA 0.789 5.129 4.340 -0.000 0.000 0.268 410 L C 0.109 177.030 176.870 0.085 0.000 0.964 410 L CA 0.477 55.342 54.840 0.042 0.000 0.839 410 L CB 2.209 44.318 42.059 0.082 0.000 1.276 410 L HN 1.223 nan 8.230 nan 0.000 0.403 411 T N -0.548 114.063 114.554 0.094 0.000 2.883 411 T HA 0.418 4.768 4.350 -0.000 0.000 0.284 411 T C 0.993 175.727 174.700 0.056 0.000 1.041 411 T CA 0.065 62.228 62.100 0.106 0.000 1.007 411 T CB 1.207 70.175 68.868 0.166 0.000 1.220 411 T HN 0.640 nan 8.240 nan 0.000 0.552 412 S N -0.587 115.140 115.700 0.045 0.000 2.474 412 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 412 S C 0.700 175.254 174.600 -0.077 0.000 0.997 412 S CA 0.824 59.033 58.200 0.015 0.000 0.949 412 S CB -0.446 62.768 63.200 0.023 0.000 0.766 412 S HN 0.712 nan 8.310 nan 0.000 0.517 413 D N -0.731 119.570 120.400 -0.166 0.000 2.455 413 D HA 0.259 4.899 4.640 -0.000 0.000 0.228 413 D C -0.478 175.397 176.300 -0.708 0.000 1.070 413 D CA 0.452 54.166 54.000 -0.478 0.000 0.881 413 D CB 0.393 40.767 40.800 -0.710 0.000 1.087 413 D HN 0.463 nan 8.370 nan 0.000 0.498 414 Y N -0.100 120.132 120.300 -0.114 0.000 2.588 414 Y HA 0.510 5.060 4.550 -0.000 0.000 0.343 414 Y C -0.672 175.034 175.900 -0.324 0.000 1.065 414 Y CA -1.116 56.829 58.100 -0.258 0.000 1.038 414 Y CB 2.467 40.676 38.460 -0.418 0.000 1.297 414 Y HN -0.292 nan 8.280 nan 0.000 0.467 415 L N 2.243 123.328 121.223 -0.230 0.000 2.362 415 L HA 0.623 4.963 4.340 -0.000 0.000 0.275 415 L C -1.908 174.805 176.870 -0.262 0.000 0.998 415 L CA -0.647 54.043 54.840 -0.249 0.000 0.820 415 L CB 1.138 42.974 42.059 -0.371 0.000 1.270 415 L HN 0.643 nan 8.230 nan 0.000 0.415 416 Y N 4.755 124.970 120.300 -0.142 0.000 2.341 416 Y HA 0.545 5.095 4.550 -0.000 0.000 0.337 416 Y C -0.439 175.443 175.900 -0.029 0.000 1.014 416 Y CA -0.363 57.640 58.100 -0.162 0.000 1.111 416 Y CB 1.350 39.554 38.460 -0.426 0.000 1.194 416 Y HN 0.534 nan 8.280 nan 0.000 0.462 417 Y N 0.732 121.082 120.300 0.084 0.000 2.644 417 Y HA 0.801 5.351 4.550 -0.000 0.000 0.338 417 Y C -1.804 174.191 175.900 0.159 0.000 1.119 417 Y CA -1.800 56.349 58.100 0.081 0.000 1.060 417 Y CB 1.209 39.695 38.460 0.043 0.000 1.294 417 Y HN 0.279 nan 8.280 nan 0.000 0.472 418 I N 3.076 123.825 120.570 0.298 0.000 2.404 418 I HA 0.586 4.755 4.170 -0.000 0.000 0.293 418 I C -0.280 176.047 176.117 0.350 0.000 0.992 418 I CA -0.308 61.121 61.300 0.215 0.000 1.149 418 I CB 1.512 39.600 38.000 0.147 0.000 1.315 418 I HN 0.894 nan 8.210 nan 0.000 0.446 419 S N 4.022 119.910 115.700 0.313 0.000 2.638 419 S HA 0.458 4.928 4.470 -0.000 0.000 0.274 419 S C -0.323 174.367 174.600 0.149 0.000 1.157 419 S CA -0.796 57.580 58.200 0.293 0.000 0.826 419 S CB 1.971 65.390 63.200 0.366 0.000 1.139 419 S HN 0.589 nan 8.310 nan 0.000 0.474 420 N N -0.276 118.503 118.700 0.130 0.000 2.321 420 N HA 0.127 4.867 4.740 -0.000 0.000 0.242 420 N C 0.592 176.083 175.510 -0.031 0.000 1.141 420 N CA -0.155 52.919 53.050 0.040 0.000 0.864 420 N CB 0.207 38.712 38.487 0.031 0.000 1.100 420 N HN 0.843 nan 8.380 nan 0.000 0.510 421 E N 0.331 120.355 120.200 -0.295 0.000 2.077 421 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 421 E C -0.117 176.298 176.600 -0.309 0.000 0.989 421 E CA 0.457 56.401 56.400 -0.761 0.000 0.800 421 E CB -0.216 28.386 29.700 -1.830 0.000 0.746 421 E HN 0.502 nan 8.360 nan 0.000 0.452 422 H N 1.369 120.335 119.070 -0.173 0.000 3.167 422 H HA -0.067 4.489 4.556 -0.000 0.000 0.306 422 H C -0.022 175.270 175.328 -0.060 0.000 0.965 422 H CA 1.376 57.381 56.048 -0.071 0.000 1.408 422 H CB 0.127 29.885 29.762 -0.006 0.000 1.406 422 H HN 0.156 nan 8.280 nan 0.000 0.576 423 K N 3.037 123.160 120.400 -0.462 0.000 3.048 423 K HA -0.244 4.076 4.320 -0.000 0.000 0.274 423 K C 0.950 177.501 176.600 -0.082 0.000 1.098 423 K CA 0.756 56.865 56.287 -0.297 0.000 0.807 423 K CB -1.701 30.611 32.500 -0.314 0.000 1.217 423 K HN 1.114 nan 8.250 nan 0.000 0.477 424 G N 0.659 109.421 108.800 -0.063 0.000 2.258 424 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.274 424 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.274 424 G C 0.081 175.018 174.900 0.061 0.000 1.021 424 G CA 0.866 45.991 45.100 0.042 0.000 0.798 424 G HN 0.369 nan 8.290 nan 0.000 0.507 425 M N 0.072 119.624 119.600 -0.080 0.000 2.111 425 M HA 0.197 4.677 4.480 -0.000 0.000 0.351 425 M C -1.149 174.948 176.300 -0.339 0.000 1.214 425 M CA -1.903 53.193 55.300 -0.340 0.000 1.120 425 M CB 1.424 33.854 32.600 -0.283 0.000 1.443 425 M HN -0.131 nan 8.290 nan 0.000 0.429 426 P HA -0.120 nan 4.420 nan 0.000 0.218 426 P C 1.107 178.282 177.300 -0.208 0.000 1.146 426 P CA 1.068 64.038 63.100 -0.217 0.000 0.813 426 P CB 0.172 31.750 31.700 -0.203 0.000 0.778 427 G N -1.268 107.333 108.800 -0.331 0.000 3.314 427 G HA2 0.330 4.290 3.960 -0.000 0.000 0.238 427 G HA3 0.330 4.290 3.960 -0.000 0.000 0.238 427 G C 0.531 175.429 174.900 -0.003 0.000 1.184 427 G CA 0.074 45.095 45.100 -0.132 0.000 0.806 427 G HN 0.388 nan 8.290 nan 0.000 0.536 428 G N -0.209 108.534 108.800 -0.095 0.000 2.473 428 G HA2 0.672 4.632 3.960 -0.000 0.000 0.321 428 G HA3 0.672 4.632 3.960 -0.000 0.000 0.321 428 G C -0.935 173.843 174.900 -0.202 0.000 1.200 428 G CA -0.808 44.263 45.100 -0.048 0.000 0.963 428 G HN 0.087 nan 8.290 nan 0.000 0.483 429 R N 1.035 121.381 120.500 -0.257 0.000 2.564 429 R HA 0.451 4.791 4.340 -0.000 0.000 0.284 429 R C -1.277 175.005 176.300 -0.029 0.000 1.031 429 R CA -0.814 55.133 56.100 -0.255 0.000 0.904 429 R CB 2.181 32.123 30.300 -0.597 0.000 1.199 429 R HN 0.608 nan 8.270 nan 0.000 0.443 430 N N 1.532 120.226 118.700 -0.011 0.000 2.284 430 N HA 0.345 5.084 4.740 -0.000 0.000 0.289 430 N C -1.296 174.042 175.510 -0.286 0.000 1.179 430 N CA -0.818 52.122 53.050 -0.185 0.000 0.774 430 N CB 2.788 41.042 38.487 -0.388 0.000 1.548 430 N HN 0.258 nan 8.380 nan 0.000 0.473 431 L N 1.984 122.901 121.223 -0.510 0.000 2.292 431 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 431 L C -1.381 175.038 176.870 -0.751 0.000 1.065 431 L CA 0.023 54.596 54.840 -0.445 0.000 0.806 431 L CB 0.026 41.858 42.059 -0.379 0.000 1.175 431 L HN 0.420 nan 8.230 nan 0.000 0.431 432 Y N 4.009 123.967 120.300 -0.570 0.000 2.598 432 Y HA 0.685 5.235 4.550 -0.000 0.000 0.340 432 Y C -0.216 175.353 175.900 -0.551 0.000 1.038 432 Y CA -0.828 56.878 58.100 -0.658 0.000 1.100 432 Y CB 1.595 39.413 38.460 -1.070 0.000 1.281 432 Y HN 0.518 nan 8.280 nan 0.000 0.488 433 R N 2.365 122.721 120.500 -0.240 0.000 2.575 433 R HA 0.675 5.015 4.340 -0.000 0.000 0.293 433 R C -2.086 174.143 176.300 -0.118 0.000 0.983 433 R CA -0.627 55.262 56.100 -0.352 0.000 0.887 433 R CB 1.625 31.594 30.300 -0.550 0.000 1.184 433 R HN 0.886 nan 8.270 nan 0.000 0.445 434 I N 2.740 123.291 120.570 -0.031 0.000 2.509 434 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 434 I C -0.706 175.490 176.117 0.132 0.000 1.020 434 I CA -0.774 60.591 61.300 0.109 0.000 1.088 434 I CB 2.074 40.178 38.000 0.173 0.000 1.267 434 I HN 0.695 nan 8.210 nan 0.000 0.430 435 Q N 5.134 125.048 119.800 0.189 0.000 2.296 435 Q HA 0.141 4.481 4.340 -0.000 0.000 0.263 435 Q C 0.314 176.359 176.000 0.074 0.000 1.026 435 Q CA -0.546 55.333 55.803 0.126 0.000 0.912 435 Q CB 1.201 30.003 28.738 0.107 0.000 1.198 435 Q HN 0.733 nan 8.270 nan 0.000 0.407 436 L N 3.630 124.829 121.223 -0.041 0.000 2.261 436 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 436 L C 1.461 178.308 176.870 -0.038 0.000 1.114 436 L CA 1.575 56.434 54.840 0.031 0.000 0.777 436 L CB -0.703 41.311 42.059 -0.075 0.000 0.910 436 L HN 0.714 nan 8.230 nan 0.000 0.440 437 N N -2.542 116.080 118.700 -0.131 0.000 2.214 437 N HA 0.036 4.776 4.740 -0.000 0.000 0.214 437 N C -0.461 174.913 175.510 -0.226 0.000 1.132 437 N CA 0.051 52.987 53.050 -0.190 0.000 0.856 437 N CB 0.238 38.643 38.487 -0.136 0.000 1.020 437 N HN 0.086 nan 8.380 nan 0.000 0.509 438 D N -0.060 120.218 120.400 -0.204 0.000 2.491 438 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 438 D C -0.422 175.888 176.300 0.017 0.000 1.334 438 D CA -0.410 53.506 54.000 -0.140 0.000 0.909 438 D CB -0.238 40.531 40.800 -0.053 0.000 1.513 438 D HN -0.122 nan 8.370 nan 0.000 0.514 439 Y N 0.735 121.035 120.300 0.000 0.000 2.569 439 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 439 Y C 2.324 178.241 175.900 0.027 0.000 1.144 439 Y CA 0.813 58.921 58.100 0.013 0.000 1.321 439 Y CB -0.649 37.816 38.460 0.008 0.000 0.982 439 Y HN 0.268 nan 8.280 nan 0.000 0.558 440 T N -0.772 113.873 114.554 0.152 0.000 3.043 440 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 440 T C 0.854 175.612 174.700 0.096 0.000 1.094 440 T CA 0.433 62.595 62.100 0.104 0.000 1.127 440 T CB -0.082 68.821 68.868 0.058 0.000 0.905 440 T HN 0.158 nan 8.240 nan 0.000 0.490 441 K N 2.373 122.833 120.400 0.100 0.000 2.150 441 K HA 0.378 4.698 4.320 -0.000 0.000 0.261 441 K C -0.993 175.673 176.600 0.110 0.000 1.127 441 K CA -0.156 56.186 56.287 0.092 0.000 0.989 441 K CB 0.667 33.219 32.500 0.087 0.000 1.475 441 K HN 0.037 nan 8.250 nan 0.000 0.391 442 V N 2.503 122.479 119.914 0.103 0.000 2.487 442 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 442 V C -0.842 175.303 176.094 0.085 0.000 1.028 442 V CA -0.206 62.163 62.300 0.116 0.000 0.860 442 V CB 1.952 33.875 31.823 0.167 0.000 0.991 442 V HN 0.547 nan 8.190 nan 0.000 0.427 443 T N 5.856 120.432 114.554 0.036 0.000 2.823 443 T HA 0.342 4.692 4.350 -0.000 0.000 0.279 443 T C -0.559 174.091 174.700 -0.083 0.000 0.998 443 T CA -0.291 61.795 62.100 -0.023 0.000 0.994 443 T CB 1.240 70.057 68.868 -0.085 0.000 0.960 443 T HN 0.885 nan 8.240 nan 0.000 0.448 444 C N 5.020 124.215 119.300 -0.175 0.000 2.265 444 C HA 0.458 4.918 4.460 -0.000 0.000 0.332 444 C C 1.663 176.364 174.990 -0.482 0.000 1.248 444 C CA -0.667 58.004 59.018 -0.579 0.000 1.727 444 C CB -1.895 25.462 27.740 -0.638 0.000 2.348 444 C HN 0.997 nan 8.230 nan 0.000 0.519 445 L N 4.527 125.432 121.223 -0.530 0.000 2.418 445 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 445 L C 2.241 178.823 176.870 -0.480 0.000 1.125 445 L CA 1.196 55.799 54.840 -0.395 0.000 0.835 445 L CB -0.245 41.610 42.059 -0.341 0.000 0.953 445 L HN 0.899 nan 8.230 nan 0.000 0.454 446 S N -3.094 112.203 115.700 -0.671 0.000 2.554 446 S HA -0.019 4.451 4.470 -0.000 0.000 0.227 446 S C 1.918 176.165 174.600 -0.589 0.000 1.050 446 S CA -0.093 57.615 58.200 -0.820 0.000 0.927 446 S CB -0.345 61.971 63.200 -1.474 0.000 0.859 446 S HN 0.299 nan 8.310 nan 0.000 0.494 447 C N 2.150 121.098 119.300 -0.586 0.000 2.363 447 C HA -0.055 4.405 4.460 -0.000 0.000 0.274 447 C C 2.400 177.208 174.990 -0.303 0.000 1.183 447 C CA 1.524 60.192 59.018 -0.582 0.000 1.771 447 C CB -1.094 26.131 27.740 -0.860 0.000 2.059 447 C HN 0.593 nan 8.230 nan 0.000 0.455 448 E N -0.124 119.945 120.200 -0.218 0.000 2.476 448 E HA 0.212 4.562 4.350 -0.000 0.000 0.196 448 E C 1.784 178.352 176.600 -0.052 0.000 1.029 448 E CA -0.085 56.261 56.400 -0.091 0.000 0.896 448 E CB -0.226 29.436 29.700 -0.064 0.000 1.012 448 E HN 0.563 nan 8.360 nan 0.000 0.475 449 L N -0.175 121.010 121.223 -0.063 0.000 2.046 449 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 449 L C 0.005 176.891 176.870 0.028 0.000 1.077 449 L CA 1.133 55.967 54.840 -0.010 0.000 0.747 449 L CB -0.115 41.944 42.059 0.000 0.000 0.896 449 L HN 0.085 nan 8.230 nan 0.000 0.432 450 N N -1.981 116.750 118.700 0.051 0.000 2.785 450 N HA 0.076 4.816 4.740 -0.000 0.000 0.224 450 N C -2.082 173.453 175.510 0.042 0.000 1.448 450 N CA -0.568 52.504 53.050 0.037 0.000 0.748 450 N CB 0.931 39.435 38.487 0.028 0.000 1.385 450 N HN -0.127 nan 8.380 nan 0.000 0.538 451 P HA -0.234 nan 4.420 nan 0.000 0.217 451 P C 0.475 177.807 177.300 0.054 0.000 1.148 451 P CA 1.569 64.706 63.100 0.061 0.000 0.834 451 P CB 0.571 32.310 31.700 0.066 0.000 0.783 452 E N -0.715 119.503 120.200 0.031 0.000 2.190 452 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 452 E C 2.278 178.880 176.600 0.003 0.000 0.978 452 E CA 0.447 56.860 56.400 0.021 0.000 0.839 452 E CB -0.277 29.431 29.700 0.013 0.000 0.787 452 E HN 0.319 nan 8.360 nan 0.000 0.473 453 R N -0.063 120.428 120.500 -0.015 0.000 2.140 453 R HA 0.068 4.408 4.340 -0.000 0.000 0.213 453 R C 0.094 176.346 176.300 -0.081 0.000 1.059 453 R CA 0.617 56.687 56.100 -0.051 0.000 1.000 453 R CB 0.353 30.614 30.300 -0.065 0.000 0.910 453 R HN -0.006 nan 8.270 nan 0.000 0.455 454 c N 1.097 119.652 118.600 -0.074 0.000 2.291 454 c HA 0.405 4.975 4.570 -0.000 0.000 0.322 454 c C 0.159 174.209 174.090 -0.066 0.000 1.205 454 c CA -0.664 55.553 56.329 -0.187 0.000 1.495 454 c CB 1.164 43.508 42.510 -0.276 0.000 2.127 454 c HN 0.539 nan 8.230 nan 0.000 0.452 455 Q N 0.385 120.157 119.800 -0.048 0.000 2.140 455 Q HA 0.190 4.530 4.340 -0.000 0.000 0.227 455 Q C -0.848 175.229 176.000 0.128 0.000 0.798 455 Q CA 0.162 56.016 55.803 0.085 0.000 0.987 455 Q CB 1.238 30.036 28.738 0.100 0.000 1.161 455 Q HN 0.790 nan 8.270 nan 0.000 0.480 456 Y N 0.459 120.700 120.300 -0.098 0.000 2.402 456 Y HA 0.374 4.924 4.550 -0.000 0.000 0.325 456 Y C -1.611 174.263 175.900 -0.044 0.000 1.009 456 Y CA -1.113 56.990 58.100 0.004 0.000 1.278 456 Y CB 0.669 39.156 38.460 0.045 0.000 1.105 456 Y HN -0.101 nan 8.280 nan 0.000 0.476 457 Y N 2.014 122.359 120.300 0.075 0.000 2.549 457 Y HA 0.689 5.239 4.550 -0.000 0.000 0.339 457 Y C 0.091 176.079 175.900 0.147 0.000 1.053 457 Y CA -0.733 57.415 58.100 0.080 0.000 1.105 457 Y CB 2.315 40.728 38.460 -0.077 0.000 1.258 457 Y HN 0.488 nan 8.280 nan 0.000 0.478 458 S N 0.743 116.691 115.700 0.413 0.000 2.599 458 S HA 0.979 5.449 4.470 -0.000 0.000 0.287 458 S C -1.189 173.567 174.600 0.260 0.000 1.105 458 S CA -0.658 57.755 58.200 0.354 0.000 0.899 458 S CB 1.997 65.496 63.200 0.498 0.000 1.100 458 S HN 0.995 nan 8.310 nan 0.000 0.482 459 A N 0.703 123.660 122.820 0.228 0.000 2.469 459 A HA 0.904 5.224 4.320 -0.000 0.000 0.299 459 A C -0.556 177.184 177.584 0.259 0.000 1.098 459 A CA -0.735 51.408 52.037 0.176 0.000 0.737 459 A CB 1.774 20.817 19.000 0.073 0.000 1.312 459 A HN 1.471 nan 8.150 nan 0.000 0.414 460 S N 0.587 116.429 115.700 0.237 0.000 2.733 460 S HA 0.710 5.180 4.470 -0.000 0.000 0.294 460 S C -1.445 173.366 174.600 0.351 0.000 1.149 460 S CA -0.385 58.042 58.200 0.379 0.000 1.034 460 S CB -0.055 63.398 63.200 0.422 0.000 1.015 460 S HN 0.443 nan 8.310 nan 0.000 0.486 461 F N 2.984 123.008 119.950 0.122 0.000 2.399 461 F HA 0.523 5.050 4.527 -0.000 0.000 0.328 461 F C 1.348 176.779 175.800 -0.616 0.000 1.084 461 F CA -0.433 57.471 58.000 -0.160 0.000 1.053 461 F CB 1.606 40.492 39.000 -0.190 0.000 1.209 461 F HN 0.670 nan 8.300 nan 0.000 0.502 462 S N 1.042 116.132 115.700 -1.017 0.000 2.641 462 S HA 0.285 4.755 4.470 -0.000 0.000 0.261 462 S C -0.191 174.214 174.600 -0.325 0.000 1.257 462 S CA -0.954 56.465 58.200 -1.301 0.000 0.983 462 S CB 0.112 62.487 63.200 -1.375 0.000 0.990 462 S HN 0.657 nan 8.310 nan 0.000 0.572 463 N N 1.240 119.874 118.700 -0.109 0.000 2.492 463 N HA 0.126 4.866 4.740 -0.000 0.000 0.260 463 N C -0.118 175.412 175.510 0.033 0.000 1.215 463 N CA -0.313 52.755 53.050 0.030 0.000 0.923 463 N CB 0.146 38.691 38.487 0.097 0.000 1.092 463 N HN 0.514 nan 8.380 nan 0.000 0.448 464 K N 0.780 121.213 120.400 0.055 0.000 3.349 464 K HA -0.290 4.030 4.320 -0.000 0.000 0.310 464 K C 0.117 176.744 176.600 0.046 0.000 1.267 464 K CA 0.845 57.169 56.287 0.062 0.000 0.920 464 K CB -1.930 30.614 32.500 0.073 0.000 1.240 464 K HN 0.948 nan 8.250 nan 0.000 0.453 465 A N -0.069 122.765 122.820 0.023 0.000 2.748 465 A HA -0.322 3.998 4.320 -0.000 0.000 0.297 465 A C 1.263 178.875 177.584 0.046 0.000 1.508 465 A CA 2.132 54.211 52.037 0.070 0.000 0.799 465 A CB -1.414 17.529 19.000 -0.095 0.000 1.011 465 A HN 0.542 nan 8.150 nan 0.000 0.500 466 K N -2.139 118.222 120.400 -0.064 0.000 2.366 466 K HA 0.155 4.475 4.320 -0.000 0.000 0.198 466 K C -0.127 176.046 176.600 -0.711 0.000 1.044 466 K CA 1.151 57.258 56.287 -0.300 0.000 0.973 466 K CB 0.132 32.481 32.500 -0.253 0.000 0.767 466 K HN 0.745 nan 8.250 nan 0.000 0.475 467 Y N -0.767 119.475 120.300 -0.097 0.000 2.597 467 Y HA 0.297 4.847 4.550 -0.000 0.000 0.340 467 Y C -0.888 174.869 175.900 -0.238 0.000 1.097 467 Y CA -1.713 56.301 58.100 -0.143 0.000 1.037 467 Y CB 1.555 39.969 38.460 -0.076 0.000 1.305 467 Y HN -0.045 nan 8.280 nan 0.000 0.463 468 Y N -0.944 119.272 120.300 -0.140 0.000 2.544 468 Y HA 0.560 5.110 4.550 -0.000 0.000 0.342 468 Y C -1.187 174.716 175.900 0.005 0.000 1.062 468 Y CA -1.475 56.389 58.100 -0.395 0.000 1.023 468 Y CB 1.534 39.125 38.460 -1.448 0.000 1.308 468 Y HN 0.615 nan 8.280 nan 0.000 0.457 469 Q N 3.418 123.357 119.800 0.232 0.000 2.241 469 Q HA 0.592 4.932 4.340 -0.000 0.000 0.254 469 Q C -1.801 174.284 176.000 0.142 0.000 0.917 469 Q CA -0.707 55.187 55.803 0.152 0.000 0.919 469 Q CB 1.356 30.164 28.738 0.116 0.000 1.237 469 Q HN 0.961 nan 8.270 nan 0.000 0.434 470 L N 4.276 125.574 121.223 0.125 0.000 2.307 470 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 470 L C -0.416 176.453 176.870 -0.001 0.000 1.023 470 L CA -0.675 54.220 54.840 0.091 0.000 0.810 470 L CB 1.604 43.678 42.059 0.024 0.000 1.231 470 L HN 0.645 nan 8.230 nan 0.000 0.423 471 R N 2.530 122.982 120.500 -0.080 0.000 2.337 471 R HA 0.333 4.673 4.340 -0.000 0.000 0.319 471 R C -0.997 174.827 176.300 -0.793 0.000 0.954 471 R CA -0.512 55.206 56.100 -0.635 0.000 0.840 471 R CB 1.669 31.683 30.300 -0.477 0.000 1.164 471 R HN 0.568 nan 8.270 nan 0.000 0.472 472 c N 4.538 122.539 118.600 -0.998 0.000 2.273 472 c HA 0.450 5.020 4.570 -0.000 0.000 0.328 472 c C 0.638 174.188 174.090 -0.900 0.000 1.275 472 c CA -0.567 55.152 56.329 -1.016 0.000 1.704 472 c CB -0.784 41.215 42.510 -0.850 0.000 2.326 472 c HN 0.964 nan 8.230 nan 0.000 0.517 473 F N 4.122 123.930 119.950 -0.237 0.000 2.721 473 F HA 0.449 4.976 4.527 -0.000 0.000 0.301 473 F C 1.553 177.319 175.800 -0.056 0.000 1.096 473 F CA 0.792 58.731 58.000 -0.102 0.000 1.308 473 F CB 0.307 39.265 39.000 -0.070 0.000 1.086 473 F HN 0.983 nan 8.300 nan 0.000 0.587 474 G N -0.122 108.689 108.800 0.018 0.000 2.324 474 G HA2 0.116 4.076 3.960 -0.000 0.000 0.293 474 G HA3 0.116 4.076 3.960 -0.000 0.000 0.293 474 G C -2.501 172.403 174.900 0.006 0.000 1.297 474 G CA -0.599 44.532 45.100 0.052 0.000 0.853 474 G HN -0.316 nan 8.290 nan 0.000 0.535 475 P HA 0.114 nan 4.420 nan 0.000 0.229 475 P C 1.296 178.639 177.300 0.071 0.000 1.160 475 P CA 1.444 64.589 63.100 0.076 0.000 0.777 475 P CB 0.256 31.991 31.700 0.058 0.000 0.814 476 G N 0.447 109.222 108.800 -0.041 0.000 2.508 476 G HA2 0.377 4.337 3.960 -0.000 0.000 0.278 476 G HA3 0.377 4.337 3.960 -0.000 0.000 0.278 476 G C -0.224 174.464 174.900 -0.352 0.000 1.389 476 G CA -0.729 44.277 45.100 -0.156 0.000 1.050 476 G HN 0.039 nan 8.290 nan 0.000 0.522 477 L N 1.218 122.166 121.223 -0.458 0.000 2.453 477 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 477 L C -1.898 174.811 176.870 -0.269 0.000 1.182 477 L CA -1.298 53.210 54.840 -0.554 0.000 0.858 477 L CB 0.735 42.549 42.059 -0.407 0.000 1.120 477 L HN 0.228 nan 8.230 nan 0.000 0.474 478 P HA -0.011 nan 4.420 nan 0.000 0.264 478 P C -0.918 176.341 177.300 -0.067 0.000 1.179 478 P CA 0.171 63.223 63.100 -0.081 0.000 0.763 478 P CB 0.500 32.304 31.700 0.173 0.000 0.806 479 L N 5.095 126.175 121.223 -0.238 0.000 2.470 479 L HA 0.483 4.823 4.340 -0.000 0.000 0.268 479 L C -1.874 174.830 176.870 -0.276 0.000 0.964 479 L CA -0.625 54.138 54.840 -0.128 0.000 0.839 479 L CB 1.061 43.040 42.059 -0.134 0.000 1.276 479 L HN 0.191 nan 8.230 nan 0.000 0.403 480 Y N 2.828 123.052 120.300 -0.128 0.000 2.335 480 Y HA 0.773 5.323 4.550 -0.000 0.000 0.338 480 Y C 0.542 176.333 175.900 -0.182 0.000 0.977 480 Y CA -0.453 57.565 58.100 -0.137 0.000 1.114 480 Y CB 2.066 40.452 38.460 -0.124 0.000 1.182 480 Y HN 0.703 nan 8.280 nan 0.000 0.463 481 T N 1.287 115.832 114.554 -0.016 0.000 2.901 481 T HA 0.684 5.034 4.350 -0.000 0.000 0.293 481 T C -1.371 173.270 174.700 -0.098 0.000 1.084 481 T CA -0.966 61.086 62.100 -0.080 0.000 1.008 481 T CB 1.859 70.747 68.868 0.032 0.000 1.170 481 T HN 0.561 nan 8.240 nan 0.000 0.509 482 L N 1.572 122.618 121.223 -0.295 0.000 2.341 482 L HA 0.635 4.975 4.340 -0.000 0.000 0.278 482 L C -1.297 175.253 176.870 -0.534 0.000 1.005 482 L CA -0.717 53.975 54.840 -0.246 0.000 0.818 482 L CB 1.461 43.404 42.059 -0.194 0.000 1.259 482 L HN 0.903 nan 8.230 nan 0.000 0.418 483 H N 0.998 119.827 119.070 -0.401 0.000 2.821 483 H HA 0.377 4.933 4.556 -0.000 0.000 0.373 483 H C -0.555 174.520 175.328 -0.422 0.000 1.165 483 H CA -0.476 55.231 56.048 -0.567 0.000 1.154 483 H CB 2.084 31.158 29.762 -1.147 0.000 1.765 483 H HN 0.457 nan 8.280 nan 0.000 0.549 484 S N 0.439 116.073 115.700 -0.109 0.000 2.462 484 S HA 0.222 4.692 4.470 -0.000 0.000 0.294 484 S C 0.479 175.029 174.600 -0.084 0.000 1.144 484 S CA -0.540 57.639 58.200 -0.034 0.000 1.088 484 S CB 1.018 64.261 63.200 0.072 0.000 1.009 484 S HN 0.607 nan 8.310 nan 0.000 0.484 485 S N 3.235 118.867 115.700 -0.113 0.000 2.436 485 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 485 S C 2.114 176.734 174.600 0.032 0.000 1.014 485 S CA 1.071 59.338 58.200 0.112 0.000 0.950 485 S CB -0.325 62.943 63.200 0.112 0.000 0.784 485 S HN 0.942 nan 8.310 nan 0.000 0.504 486 S N 2.050 117.715 115.700 -0.058 0.000 2.371 486 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 486 S C 1.846 176.448 174.600 0.004 0.000 1.029 486 S CA 1.162 59.351 58.200 -0.018 0.000 0.978 486 S CB -0.459 62.720 63.200 -0.035 0.000 0.833 486 S HN 0.551 nan 8.310 nan 0.000 0.466 487 S N 0.057 115.760 115.700 0.005 0.000 2.523 487 S HA 0.205 4.675 4.470 -0.000 0.000 0.217 487 S C 0.109 174.724 174.600 0.025 0.000 0.996 487 S CA 0.267 58.477 58.200 0.018 0.000 0.921 487 S CB -0.275 62.939 63.200 0.023 0.000 0.829 487 S HN 0.289 nan 8.310 nan 0.000 0.495 488 D N 1.141 121.567 120.400 0.042 0.000 2.882 488 D HA -0.127 4.513 4.640 -0.000 0.000 0.229 488 D C -0.280 176.061 176.300 0.068 0.000 1.167 488 D CA 1.041 55.088 54.000 0.078 0.000 0.759 488 D CB -1.075 39.760 40.800 0.058 0.000 1.088 488 D HN 0.598 nan 8.370 nan 0.000 0.425 489 K N 0.279 120.698 120.400 0.031 0.000 2.087 489 K HA 0.268 4.588 4.320 -0.000 0.000 0.255 489 K C 0.555 177.115 176.600 -0.066 0.000 0.988 489 K CA -0.478 55.812 56.287 0.005 0.000 0.915 489 K CB 1.202 33.698 32.500 -0.007 0.000 1.043 489 K HN 0.013 nan 8.250 nan 0.000 0.457 490 E N 3.200 123.323 120.200 -0.128 0.000 1.996 490 E HA -0.004 4.346 4.350 -0.000 0.000 0.280 490 E C 0.434 176.858 176.600 -0.293 0.000 1.092 490 E CA -0.349 55.800 56.400 -0.419 0.000 0.862 490 E CB 0.377 29.905 29.700 -0.287 0.000 1.066 490 E HN 0.375 nan 8.360 nan 0.000 0.396 491 L N 4.492 125.535 121.223 -0.299 0.000 2.093 491 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 491 L C 1.018 177.793 176.870 -0.158 0.000 1.085 491 L CA 1.541 56.288 54.840 -0.156 0.000 0.755 491 L CB -1.181 40.824 42.059 -0.091 0.000 0.904 491 L HN 0.646 nan 8.230 nan 0.000 0.435 492 R N -3.194 117.165 120.500 -0.235 0.000 2.765 492 R HA 0.465 4.805 4.340 -0.000 0.000 0.277 492 R C -1.653 174.507 176.300 -0.234 0.000 1.028 492 R CA -0.834 55.149 56.100 -0.195 0.000 0.860 492 R CB 1.149 31.358 30.300 -0.151 0.000 1.270 492 R HN -0.301 nan 8.270 nan 0.000 0.484 493 V N 3.130 122.930 119.914 -0.189 0.000 2.364 493 V HA 0.215 4.335 4.120 -0.000 0.000 0.272 493 V C 1.254 177.191 176.094 -0.261 0.000 1.036 493 V CA -0.521 61.669 62.300 -0.183 0.000 0.880 493 V CB 1.046 32.798 31.823 -0.118 0.000 0.991 493 V HN 0.659 nan 8.190 nan 0.000 0.460 494 L N 2.445 123.439 121.223 -0.382 0.000 2.127 494 L HA 0.269 4.609 4.340 -0.000 0.000 0.203 494 L C 0.798 177.385 176.870 -0.472 0.000 1.080 494 L CA 0.847 55.247 54.840 -0.734 0.000 0.768 494 L CB 0.169 41.460 42.059 -1.279 0.000 0.924 494 L HN 0.660 nan 8.230 nan 0.000 0.444 495 E N -0.080 119.994 120.200 -0.211 0.000 2.311 495 E HA 0.115 4.465 4.350 -0.000 0.000 0.281 495 E C -1.249 175.371 176.600 0.034 0.000 0.905 495 E CA -0.405 55.965 56.400 -0.049 0.000 0.778 495 E CB 1.246 30.929 29.700 -0.028 0.000 1.240 495 E HN 0.181 nan 8.360 nan 0.000 0.410 496 D N 2.860 123.263 120.400 0.005 0.000 2.500 496 D HA 0.160 4.800 4.640 -0.000 0.000 0.217 496 D C -0.222 176.077 176.300 -0.001 0.000 1.159 496 D CA -0.254 53.746 54.000 0.000 0.000 0.828 496 D CB -0.006 40.778 40.800 -0.027 0.000 1.039 496 D HN 0.437 nan 8.370 nan 0.000 0.512 497 N N 0.434 119.143 118.700 0.015 0.000 2.714 497 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 497 N C 1.045 176.554 175.510 -0.001 0.000 1.117 497 N CA 0.962 54.020 53.050 0.012 0.000 0.719 497 N CB -1.321 37.174 38.487 0.013 0.000 1.081 497 N HN 0.492 nan 8.380 nan 0.000 0.557 498 S N -0.901 114.797 115.700 -0.004 0.000 2.383 498 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 498 S C 2.124 176.731 174.600 0.011 0.000 1.030 498 S CA 1.225 59.423 58.200 -0.003 0.000 1.002 498 S CB -0.290 62.907 63.200 -0.005 0.000 0.829 498 S HN 0.526 nan 8.310 nan 0.000 0.467 499 A N 2.050 124.880 122.820 0.016 0.000 1.883 499 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 499 A C 2.253 179.868 177.584 0.052 0.000 1.186 499 A CA 1.748 53.800 52.037 0.026 0.000 0.624 499 A CB -0.949 18.062 19.000 0.018 0.000 0.822 499 A HN 0.530 nan 8.150 nan 0.000 0.444 500 L N 0.369 121.631 121.223 0.065 0.000 2.046 500 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 500 L C 1.907 178.841 176.870 0.107 0.000 1.077 500 L CA 2.779 57.691 54.840 0.119 0.000 0.747 500 L CB -0.862 41.270 42.059 0.123 0.000 0.896 500 L HN 0.547 nan 8.230 nan 0.000 0.432 501 D N -0.747 119.678 120.400 0.042 0.000 2.106 501 D HA -0.252 4.388 4.640 -0.000 0.000 0.191 501 D C 2.116 178.449 176.300 0.055 0.000 0.997 501 D CA 1.717 55.731 54.000 0.023 0.000 0.834 501 D CB 0.025 40.820 40.800 -0.007 0.000 0.956 501 D HN 0.281 nan 8.370 nan 0.000 0.448 502 K N -0.356 120.076 120.400 0.054 0.000 2.032 502 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 502 K C 2.281 178.938 176.600 0.095 0.000 1.048 502 K CA 1.279 57.602 56.287 0.059 0.000 0.927 502 K CB -0.329 32.197 32.500 0.044 0.000 0.712 502 K HN 0.333 nan 8.250 nan 0.000 0.441 503 M N 0.868 120.545 119.600 0.128 0.000 2.159 503 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 503 M C 1.751 178.251 176.300 0.333 0.000 1.063 503 M CA 1.451 56.872 55.300 0.202 0.000 1.110 503 M CB 0.083 32.802 32.600 0.199 0.000 1.374 503 M HN 0.064 nan 8.290 nan 0.000 0.411 504 L N -0.115 121.270 121.223 0.271 0.000 2.341 504 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 504 L C 2.499 179.441 176.870 0.120 0.000 1.115 504 L CA 0.587 55.546 54.840 0.198 0.000 0.820 504 L CB -0.631 41.496 42.059 0.113 0.000 0.944 504 L HN 0.478 nan 8.230 nan 0.000 0.452 505 Q N -0.729 119.133 119.800 0.103 0.000 2.437 505 Q HA -0.215 4.125 4.340 -0.000 0.000 0.210 505 Q C 1.104 177.155 176.000 0.084 0.000 0.972 505 Q CA 1.258 57.104 55.803 0.073 0.000 0.903 505 Q CB -0.260 28.512 28.738 0.056 0.000 0.967 505 Q HN 0.380 nan 8.270 nan 0.000 0.486 506 D N 1.423 121.893 120.400 0.117 0.000 2.328 506 D HA 0.060 4.700 4.640 -0.000 0.000 0.221 506 D C -0.244 176.134 176.300 0.129 0.000 1.072 506 D CA 0.087 54.158 54.000 0.118 0.000 0.850 506 D CB 0.847 41.725 40.800 0.130 0.000 0.922 506 D HN 0.218 nan 8.370 nan 0.000 0.516 507 V N -1.750 118.232 119.914 0.114 0.000 2.962 507 V HA 0.463 4.583 4.120 -0.000 0.000 0.313 507 V C -0.801 175.313 176.094 0.033 0.000 1.099 507 V CA -0.960 61.395 62.300 0.091 0.000 0.971 507 V CB 2.077 33.956 31.823 0.093 0.000 1.028 507 V HN -0.211 nan 8.190 nan 0.000 0.430 508 Q N 4.305 124.115 119.800 0.017 0.000 2.472 508 Q HA 0.418 4.758 4.340 -0.000 0.000 0.227 508 Q C -0.434 175.529 176.000 -0.063 0.000 1.156 508 Q CA -0.319 55.455 55.803 -0.049 0.000 0.924 508 Q CB 0.870 29.566 28.738 -0.070 0.000 1.354 508 Q HN 0.655 nan 8.270 nan 0.000 0.525 509 M N 3.854 123.408 119.600 -0.077 0.000 2.255 509 M HA 0.363 4.843 4.480 -0.000 0.000 0.336 509 M C -2.011 174.219 176.300 -0.117 0.000 1.135 509 M CA -2.430 52.810 55.300 -0.100 0.000 1.145 509 M CB 0.116 32.663 32.600 -0.088 0.000 1.473 509 M HN 0.333 nan 8.290 nan 0.000 0.462 510 P HA 0.254 nan 4.420 nan 0.000 0.278 510 P C -0.959 176.261 177.300 -0.134 0.000 1.258 510 P CA -0.404 62.605 63.100 -0.150 0.000 0.811 510 P CB 0.743 32.339 31.700 -0.174 0.000 1.063 511 S N -0.138 115.474 115.700 -0.146 0.000 2.593 511 S HA 0.513 4.983 4.470 -0.000 0.000 0.297 511 S C -0.416 174.099 174.600 -0.141 0.000 1.112 511 S CA -0.819 57.311 58.200 -0.116 0.000 1.043 511 S CB 1.636 64.776 63.200 -0.101 0.000 1.054 511 S HN 0.489 nan 8.310 nan 0.000 0.516 512 K N 1.244 121.587 120.400 -0.096 0.000 2.307 512 K HA 0.402 4.722 4.320 -0.000 0.000 0.263 512 K C -1.088 175.467 176.600 -0.074 0.000 0.973 512 K CA -0.516 55.716 56.287 -0.092 0.000 0.846 512 K CB 0.998 33.463 32.500 -0.058 0.000 1.100 512 K HN 0.782 nan 8.250 nan 0.000 0.438 513 K N 4.999 125.340 120.400 -0.098 0.000 2.345 513 K HA 0.343 4.663 4.320 -0.000 0.000 0.255 513 K C -1.487 175.060 176.600 -0.089 0.000 0.934 513 K CA -0.734 55.503 56.287 -0.083 0.000 0.801 513 K CB 1.008 33.440 32.500 -0.113 0.000 1.137 513 K HN 0.382 nan 8.250 nan 0.000 0.424 514 L N 3.293 124.490 121.223 -0.042 0.000 2.317 514 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 514 L C -0.378 176.447 176.870 -0.075 0.000 1.024 514 L CA 0.079 54.911 54.840 -0.014 0.000 0.810 514 L CB 1.649 43.805 42.059 0.161 0.000 1.240 514 L HN 0.850 nan 8.230 nan 0.000 0.427 515 D N 0.865 121.052 120.400 -0.354 0.000 2.838 515 D HA 0.636 5.276 4.640 -0.000 0.000 0.334 515 D C -1.657 174.309 176.300 -0.556 0.000 1.315 515 D CA -0.170 53.557 54.000 -0.455 0.000 0.917 515 D CB 2.054 42.597 40.800 -0.429 0.000 1.435 515 D HN 0.115 nan 8.370 nan 0.000 0.517 516 V N 0.869 120.575 119.914 -0.346 0.000 3.001 516 V HA 0.709 4.829 4.120 -0.000 0.000 0.314 516 V C -0.104 176.122 176.094 0.219 0.000 1.099 516 V CA -0.757 61.426 62.300 -0.195 0.000 0.989 516 V CB 1.851 33.274 31.823 -0.668 0.000 1.040 516 V HN 0.591 nan 8.190 nan 0.000 0.434 517 I N -0.167 120.573 120.570 0.284 0.000 3.095 517 I HA 0.732 4.902 4.170 -0.000 0.000 0.310 517 I C -1.343 174.875 176.117 0.168 0.000 1.196 517 I CA -0.899 60.523 61.300 0.205 0.000 0.985 517 I CB 2.782 40.866 38.000 0.140 0.000 1.250 517 I HN 0.503 nan 8.210 nan 0.000 0.446 518 N N 3.435 122.181 118.700 0.077 0.000 2.399 518 N HA 0.815 5.555 4.740 -0.000 0.000 0.295 518 N C -1.417 174.106 175.510 0.022 0.000 1.048 518 N CA -0.474 52.614 53.050 0.064 0.000 0.886 518 N CB 2.031 40.519 38.487 0.001 0.000 1.185 518 N HN 0.514 nan 8.380 nan 0.000 0.487 519 L N 1.826 123.081 121.223 0.052 0.000 2.455 519 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 519 L C -0.434 176.195 176.870 -0.402 0.000 0.968 519 L CA -0.914 53.718 54.840 -0.347 0.000 0.827 519 L CB 1.761 43.522 42.059 -0.496 0.000 1.317 519 L HN 0.742 nan 8.230 nan 0.000 0.407 520 H N 1.094 120.232 119.070 0.114 0.000 2.822 520 H HA -0.219 4.337 4.556 -0.000 0.000 0.295 520 H C 1.168 176.532 175.328 0.060 0.000 1.151 520 H CA 0.924 57.016 56.048 0.073 0.000 1.151 520 H CB -1.630 28.177 29.762 0.076 0.000 1.343 520 H HN 1.143 nan 8.280 nan 0.000 0.382 521 G N -1.051 107.786 108.800 0.062 0.000 2.179 521 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 521 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 521 G C 0.347 175.251 174.900 0.007 0.000 0.977 521 G CA 0.669 45.789 45.100 0.034 0.000 0.641 521 G HN 0.711 nan 8.290 nan 0.000 0.533 522 T N 1.221 115.781 114.554 0.010 0.000 2.859 522 T HA 0.561 4.911 4.350 -0.000 0.000 0.281 522 T C 0.235 174.764 174.700 -0.284 0.000 1.005 522 T CA -0.177 61.818 62.100 -0.175 0.000 1.025 522 T CB 1.628 70.318 68.868 -0.297 0.000 0.977 522 T HN 0.624 nan 8.240 nan 0.000 0.458 523 K N 2.150 122.355 120.400 -0.325 0.000 2.234 523 K HA 0.581 4.901 4.320 -0.000 0.000 0.282 523 K C -1.371 174.995 176.600 -0.389 0.000 1.039 523 K CA -0.449 55.699 56.287 -0.232 0.000 0.928 523 K CB 0.639 33.031 32.500 -0.181 0.000 1.039 523 K HN 0.384 nan 8.250 nan 0.000 0.470 524 F N 1.352 121.371 119.950 0.115 0.000 2.577 524 F HA 0.413 4.940 4.527 -0.000 0.000 0.318 524 F C -0.700 175.224 175.800 0.206 0.000 1.065 524 F CA -0.863 57.260 58.000 0.205 0.000 0.929 524 F CB 1.322 40.489 39.000 0.278 0.000 1.237 524 F HN 0.513 nan 8.300 nan 0.000 0.468 525 W N 2.204 123.720 121.300 0.360 0.000 2.381 525 W HA 0.525 5.185 4.660 -0.000 0.000 0.329 525 W C -0.732 176.059 176.519 0.453 0.000 1.157 525 W CA -0.536 57.000 57.345 0.319 0.000 1.240 525 W CB 0.715 30.275 29.460 0.167 0.000 1.199 525 W HN 0.414 nan 8.180 nan 0.000 0.579 526 Y N -0.262 120.397 120.300 0.598 0.000 2.644 526 Y HA 0.709 5.259 4.550 -0.000 0.000 0.338 526 Y C -1.038 175.072 175.900 0.349 0.000 1.119 526 Y CA -1.826 56.603 58.100 0.550 0.000 1.060 526 Y CB 1.283 40.181 38.460 0.730 0.000 1.294 526 Y HN 0.556 nan 8.280 nan 0.000 0.472 527 Q N 1.986 122.002 119.800 0.359 0.000 2.379 527 Q HA 0.733 5.072 4.340 -0.000 0.000 0.278 527 Q C -1.904 174.179 176.000 0.139 0.000 1.068 527 Q CA -1.131 54.751 55.803 0.131 0.000 0.816 527 Q CB 3.272 32.081 28.738 0.118 0.000 1.387 527 Q HN 0.859 nan 8.270 nan 0.000 0.413 528 M N 2.713 122.321 119.600 0.013 0.000 2.327 528 M HA 0.457 4.937 4.480 -0.000 0.000 0.298 528 M C -1.236 174.978 176.300 -0.143 0.000 1.065 528 M CA -0.912 54.347 55.300 -0.068 0.000 0.916 528 M CB 2.207 34.733 32.600 -0.124 0.000 1.630 528 M HN 0.617 nan 8.290 nan 0.000 0.442 529 I N 5.066 125.548 120.570 -0.147 0.000 2.312 529 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 529 I C -0.471 175.474 176.117 -0.288 0.000 1.031 529 I CA -0.295 60.896 61.300 -0.182 0.000 1.293 529 I CB 0.287 38.201 38.000 -0.144 0.000 1.403 529 I HN 0.640 nan 8.210 nan 0.000 0.484 530 L N 8.298 129.300 121.223 -0.368 0.000 2.295 530 L HA 0.446 4.786 4.340 -0.000 0.000 0.285 530 L C -2.213 174.436 176.870 -0.370 0.000 1.035 530 L CA -1.828 52.677 54.840 -0.559 0.000 0.806 530 L CB 1.204 42.761 42.059 -0.836 0.000 1.214 530 L HN 0.256 nan 8.230 nan 0.000 0.426 531 P HA 0.038 nan 4.420 nan 0.000 0.269 531 P C -2.447 174.797 177.300 -0.093 0.000 1.211 531 P CA -0.685 62.315 63.100 -0.167 0.000 0.781 531 P CB -0.143 31.498 31.700 -0.097 0.000 0.877 532 P HA -0.031 nan 4.420 nan 0.000 0.268 532 P C -0.489 176.766 177.300 -0.074 0.000 1.208 532 P CA 0.434 63.425 63.100 -0.180 0.000 0.777 532 P CB -0.306 31.224 31.700 -0.283 0.000 0.875 533 H N -1.327 117.782 119.070 0.065 0.000 2.557 533 H HA -0.227 4.329 4.556 -0.000 0.000 0.319 533 H C -0.048 175.346 175.328 0.111 0.000 1.102 533 H CA -0.510 55.580 56.048 0.070 0.000 1.126 533 H CB -1.918 27.877 29.762 0.055 0.000 1.498 533 H HN 0.309 nan 8.280 nan 0.000 0.411 534 F N 2.388 122.344 119.950 0.010 0.000 2.433 534 F HA -0.112 4.415 4.527 0.000 0.000 0.398 534 F C 1.109 176.943 175.800 0.056 0.000 1.002 534 F CA 0.341 58.292 58.000 -0.082 0.000 1.053 534 F CB -0.066 38.793 39.000 -0.235 0.000 0.928 534 F HN 0.250 nan 8.300 nan 0.000 0.529 535 D N 4.029 124.396 120.400 -0.055 0.000 2.207 535 D HA -0.252 4.388 4.640 -0.000 0.000 0.262 535 D C 1.599 177.629 176.300 -0.450 0.000 1.356 535 D CA 3.496 57.410 54.000 -0.143 0.000 1.126 535 D CB 0.150 40.956 40.800 0.010 0.000 1.921 535 D HN 0.715 nan 8.370 nan 0.000 0.634 536 K N -3.968 116.115 120.400 -0.529 0.000 2.655 536 K HA -0.008 4.312 4.320 -0.000 0.000 0.239 536 K C 0.751 177.269 176.600 -0.138 0.000 2.785 536 K CA 0.302 56.349 56.287 -0.401 0.000 1.462 536 K CB -0.194 32.195 32.500 -0.186 0.000 3.026 536 K HN 0.152 nan 8.250 nan 0.000 0.359 537 S N 1.120 116.785 115.700 -0.059 0.000 2.855 537 S HA 0.272 4.742 4.470 -0.000 0.000 0.249 537 S C -0.210 174.388 174.600 -0.004 0.000 1.033 537 S CA -0.379 57.833 58.200 0.020 0.000 1.038 537 S CB 0.153 63.355 63.200 0.003 0.000 0.960 537 S HN 0.298 nan 8.310 nan 0.000 0.548 538 K N 1.518 121.896 120.400 -0.036 0.000 2.095 538 K HA 0.382 4.702 4.320 -0.000 0.000 0.252 538 K C -0.814 175.739 176.600 -0.078 0.000 0.977 538 K CA -0.569 55.647 56.287 -0.118 0.000 0.900 538 K CB 0.637 32.992 32.500 -0.242 0.000 1.060 538 K HN 0.027 nan 8.250 nan 0.000 0.449 539 K N 2.717 123.023 120.400 -0.158 0.000 2.240 539 K HA 0.217 4.537 4.320 -0.000 0.000 0.271 539 K C -1.363 175.137 176.600 -0.167 0.000 1.018 539 K CA -0.524 55.727 56.287 -0.060 0.000 0.874 539 K CB 0.886 33.354 32.500 -0.053 0.000 1.098 539 K HN 0.382 nan 8.250 nan 0.000 0.458 540 Y N 3.118 123.471 120.300 0.089 0.000 2.420 540 Y HA 0.283 4.833 4.550 -0.000 0.000 0.334 540 Y C -1.942 173.919 175.900 -0.065 0.000 1.094 540 Y CA -2.611 55.514 58.100 0.041 0.000 1.126 540 Y CB 0.953 39.498 38.460 0.142 0.000 1.217 540 Y HN 0.493 nan 8.280 nan 0.000 0.462 541 P HA 0.098 nan 4.420 nan 0.000 0.272 541 P C -0.963 176.231 177.300 -0.178 0.000 1.223 541 P CA -0.099 62.766 63.100 -0.391 0.000 0.784 541 P CB 1.494 32.620 31.700 -0.957 0.000 0.923 542 L N 2.767 123.905 121.223 -0.142 0.000 2.362 542 L HA 0.459 4.799 4.340 -0.000 0.000 0.275 542 L C -0.938 176.089 176.870 0.262 0.000 0.998 542 L CA -1.195 53.692 54.840 0.078 0.000 0.820 542 L CB 1.794 43.910 42.059 0.095 0.000 1.270 542 L HN 0.240 nan 8.230 nan 0.000 0.415 543 L N 6.000 127.395 121.223 0.286 0.000 2.333 543 L HA 0.534 4.874 4.340 -0.000 0.000 0.280 543 L C -0.842 176.254 176.870 0.376 0.000 1.004 543 L CA -0.222 54.850 54.840 0.387 0.000 0.820 543 L CB 1.449 43.691 42.059 0.305 0.000 1.247 543 L HN 0.345 nan 8.230 nan 0.000 0.416 544 I N 4.188 125.035 120.570 0.463 0.000 2.331 544 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 544 I C 0.094 176.468 176.117 0.429 0.000 0.998 544 I CA -0.185 61.380 61.300 0.442 0.000 1.267 544 I CB 1.304 39.607 38.000 0.506 0.000 1.386 544 I HN 0.719 nan 8.210 nan 0.000 0.476 545 E N 5.873 126.291 120.200 0.363 0.000 2.133 545 E HA 0.514 4.864 4.350 -0.000 0.000 0.274 545 E C -1.568 175.116 176.600 0.140 0.000 0.930 545 E CA -0.428 56.104 56.400 0.219 0.000 0.770 545 E CB 2.149 32.071 29.700 0.369 0.000 1.104 545 E HN 0.430 nan 8.360 nan 0.000 0.403 546 V N 5.539 125.466 119.914 0.022 0.000 2.914 546 V HA 0.393 4.513 4.120 -0.000 0.000 0.314 546 V C -1.152 175.048 176.094 0.175 0.000 1.084 546 V CA -0.293 62.092 62.300 0.140 0.000 0.963 546 V CB 1.799 33.720 31.823 0.163 0.000 1.025 546 V HN 0.945 nan 8.190 nan 0.000 0.432 547 Y N 4.683 125.051 120.300 0.114 0.000 3.127 547 Y HA 0.487 5.036 4.550 -0.000 0.000 0.196 547 Y C 1.606 177.642 175.900 0.226 0.000 0.920 547 Y CA 0.306 58.498 58.100 0.154 0.000 1.664 547 Y CB 0.551 39.084 38.460 0.122 0.000 1.399 547 Y HN 0.979 nan 8.280 nan 0.000 0.435 548 A N 1.208 124.127 122.820 0.164 0.000 2.899 548 A HA -0.190 4.129 4.320 -0.000 0.000 0.257 548 A C 0.606 178.071 177.584 -0.200 0.000 1.335 548 A CA 0.904 52.956 52.037 0.026 0.000 0.924 548 A CB -2.485 16.645 19.000 0.218 0.000 1.105 548 A HN 0.810 nan 8.150 nan 0.000 0.765 549 G N -0.579 107.831 108.800 -0.650 0.000 2.580 549 G HA2 0.556 4.516 3.960 -0.000 0.000 0.278 549 G HA3 0.556 4.516 3.960 -0.000 0.000 0.278 549 G C -2.040 172.405 174.900 -0.759 0.000 1.212 549 G CA -0.845 43.465 45.100 -1.317 0.000 0.939 549 G HN 0.373 nan 8.290 nan 0.000 0.513 550 P HA 0.020 nan 4.420 nan 0.000 0.264 550 P C 0.609 177.660 177.300 -0.415 0.000 1.193 550 P CA 0.231 62.989 63.100 -0.571 0.000 0.763 550 P CB 0.787 31.797 31.700 -1.151 0.000 0.810 551 C N 2.230 121.378 119.300 -0.253 0.000 4.358 551 C HA -0.147 4.312 4.460 -0.000 0.000 0.287 551 C C 1.063 175.989 174.990 -0.106 0.000 1.414 551 C CA 1.168 60.025 59.018 -0.268 0.000 1.949 551 C CB -2.683 24.777 27.740 -0.468 0.000 1.274 551 C HN 0.819 nan 8.230 nan 0.000 0.793 552 S N -0.023 115.533 115.700 -0.239 0.000 2.632 552 S HA 0.567 5.037 4.470 -0.000 0.000 0.267 552 S C -0.557 174.021 174.600 -0.036 0.000 1.276 552 S CA 0.119 58.107 58.200 -0.353 0.000 0.998 552 S CB 1.666 64.174 63.200 -1.153 0.000 0.953 552 S HN 0.817 nan 8.310 nan 0.000 0.547 553 Q N 0.177 120.040 119.800 0.105 0.000 2.709 553 Q HA 0.309 4.649 4.340 -0.000 0.000 0.232 553 Q C -0.647 175.461 176.000 0.180 0.000 0.856 553 Q CA -0.585 55.330 55.803 0.187 0.000 0.788 553 Q CB 0.825 29.752 28.738 0.315 0.000 1.386 553 Q HN 0.599 nan 8.270 nan 0.000 0.453 554 K N 1.526 122.021 120.400 0.158 0.000 2.393 554 K HA 0.206 4.526 4.320 -0.000 0.000 0.193 554 K C -0.201 176.495 176.600 0.160 0.000 1.026 554 K CA 0.325 56.725 56.287 0.188 0.000 1.064 554 K CB 0.862 33.491 32.500 0.215 0.000 0.833 554 K HN 0.401 nan 8.250 nan 0.000 0.521 555 V N 3.577 123.582 119.914 0.152 0.000 2.311 555 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 555 V C -0.498 175.649 176.094 0.088 0.000 1.022 555 V CA -0.790 61.598 62.300 0.148 0.000 0.830 555 V CB 1.033 32.987 31.823 0.218 0.000 1.012 555 V HN 0.280 nan 8.190 nan 0.000 0.452 556 D N 2.237 122.673 120.400 0.060 0.000 2.759 556 D HA 0.301 4.941 4.640 -0.000 0.000 0.321 556 D C 0.339 176.653 176.300 0.022 0.000 1.267 556 D CA -0.053 53.975 54.000 0.047 0.000 0.933 556 D CB 1.448 42.288 40.800 0.067 0.000 1.431 556 D HN 0.325 nan 8.370 nan 0.000 0.504 557 T N -2.019 112.573 114.554 0.064 0.000 3.251 557 T HA 0.385 4.735 4.350 -0.000 0.000 0.259 557 T C 0.235 174.930 174.700 -0.008 0.000 0.998 557 T CA -0.436 61.696 62.100 0.053 0.000 0.905 557 T CB -0.744 68.188 68.868 0.107 0.000 1.067 557 T HN 0.277 nan 8.240 nan 0.000 0.569 558 V N 2.475 122.287 119.914 -0.169 0.000 2.583 558 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 558 V C 0.078 176.163 176.094 -0.015 0.000 1.051 558 V CA -1.051 61.130 62.300 -0.198 0.000 1.010 558 V CB 0.417 31.980 31.823 -0.433 0.000 0.988 558 V HN 0.615 nan 8.190 nan 0.000 0.478 559 F N 6.342 126.258 119.950 -0.057 0.000 2.438 559 F HA 0.543 5.070 4.527 -0.000 0.000 0.356 559 F C 0.438 176.228 175.800 -0.018 0.000 1.099 559 F CA -0.162 57.818 58.000 -0.034 0.000 1.185 559 F CB 0.216 39.210 39.000 -0.010 0.000 1.115 559 F HN 0.410 nan 8.300 nan 0.000 0.526 560 R N 5.916 125.963 120.500 -0.755 0.000 2.621 560 R HA 0.475 4.815 4.340 -0.000 0.000 0.284 560 R C -1.887 173.968 176.300 -0.741 0.000 0.998 560 R CA -1.232 54.524 56.100 -0.573 0.000 0.895 560 R CB 1.905 32.055 30.300 -0.251 0.000 1.195 560 R HN 0.475 nan 8.270 nan 0.000 0.450 561 L N 2.860 123.795 121.223 -0.481 0.000 2.272 561 L HA 0.351 4.691 4.340 -0.000 0.000 0.284 561 L C -0.047 176.777 176.870 -0.076 0.000 1.045 561 L CA 0.205 54.825 54.840 -0.365 0.000 0.842 561 L CB 0.728 42.731 42.059 -0.093 0.000 1.224 561 L HN 0.780 nan 8.230 nan 0.000 0.430 562 S N 1.593 117.172 115.700 -0.202 0.000 2.811 562 S HA 0.322 4.792 4.470 -0.000 0.000 0.311 562 S C 0.517 174.774 174.600 -0.573 0.000 1.152 562 S CA -0.701 57.330 58.200 -0.281 0.000 0.864 562 S CB 0.601 63.740 63.200 -0.102 0.000 1.226 562 S HN 0.511 nan 8.310 nan 0.000 0.541 563 W N 1.339 122.015 121.300 -1.040 0.000 2.342 563 W HA 0.034 4.694 4.660 0.000 0.000 0.297 563 W C 2.337 178.769 176.519 -0.145 0.000 1.213 563 W CA 2.098 59.022 57.345 -0.702 0.000 1.251 563 W CB -1.003 28.200 29.460 -0.427 0.000 1.136 563 W HN 0.828 nan 8.180 nan 0.000 0.526 564 A N -0.482 122.276 122.820 -0.102 0.000 1.972 564 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 564 A C 1.936 179.399 177.584 -0.202 0.000 1.169 564 A CA 2.284 54.204 52.037 -0.195 0.000 0.635 564 A CB -1.229 17.758 19.000 -0.022 0.000 0.810 564 A HN 0.295 nan 8.150 nan 0.000 0.446 565 T N -1.129 113.323 114.554 -0.171 0.000 2.684 565 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 565 T C 1.812 176.503 174.700 -0.015 0.000 1.036 565 T CA 1.783 63.762 62.100 -0.200 0.000 1.148 565 T CB -0.495 68.096 68.868 -0.462 0.000 0.863 565 T HN 0.694 nan 8.240 nan 0.000 0.436 566 Y N 2.048 122.400 120.300 0.086 0.000 2.181 566 Y HA -0.048 4.502 4.550 -0.000 0.000 0.288 566 Y C 1.935 177.805 175.900 -0.049 0.000 1.146 566 Y CA 0.988 59.171 58.100 0.139 0.000 1.164 566 Y CB -0.762 37.769 38.460 0.118 0.000 0.982 566 Y HN 0.134 nan 8.280 nan 0.000 0.515 567 L N 0.095 120.852 121.223 -0.776 0.000 2.083 567 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 567 L C 2.780 179.393 176.870 -0.429 0.000 1.083 567 L CA 1.205 55.557 54.840 -0.814 0.000 0.752 567 L CB -0.891 40.748 42.059 -0.700 0.000 0.899 567 L HN 0.412 nan 8.230 nan 0.000 0.433 568 A N -1.190 121.452 122.820 -0.296 0.000 1.878 568 A HA -0.148 4.172 4.320 -0.000 0.000 0.213 568 A C 2.503 180.000 177.584 -0.145 0.000 1.192 568 A CA 1.532 53.450 52.037 -0.199 0.000 0.619 568 A CB -0.552 18.329 19.000 -0.199 0.000 0.837 568 A HN 0.312 nan 8.150 nan 0.000 0.446 569 S N -0.979 114.650 115.700 -0.118 0.000 2.345 569 S HA -0.127 4.343 4.470 -0.000 0.000 0.220 569 S C 2.054 176.642 174.600 -0.019 0.000 1.031 569 S CA 2.357 60.532 58.200 -0.043 0.000 0.996 569 S CB -0.503 62.721 63.200 0.040 0.000 0.882 569 S HN 0.548 nan 8.310 nan 0.000 0.445 570 T N 1.554 116.082 114.554 -0.044 0.000 2.901 570 T HA 0.137 4.487 4.350 -0.000 0.000 0.252 570 T C 1.517 176.176 174.700 -0.069 0.000 1.035 570 T CA 0.802 62.896 62.100 -0.010 0.000 1.142 570 T CB -0.190 68.751 68.868 0.122 0.000 0.869 570 T HN 0.357 nan 8.240 nan 0.000 0.442 571 E N 1.096 121.161 120.200 -0.225 0.000 2.478 571 E HA 0.133 4.483 4.350 -0.000 0.000 0.194 571 E C 0.071 176.649 176.600 -0.037 0.000 1.045 571 E CA -0.016 56.304 56.400 -0.133 0.000 0.868 571 E CB -0.262 29.301 29.700 -0.229 0.000 0.885 571 E HN 0.448 nan 8.360 nan 0.000 0.505 572 N N 0.313 118.998 118.700 -0.026 0.000 2.758 572 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 572 N C -1.031 174.562 175.510 0.139 0.000 1.076 572 N CA 0.371 53.480 53.050 0.097 0.000 0.696 572 N CB -1.261 37.341 38.487 0.191 0.000 0.979 572 N HN 0.195 nan 8.380 nan 0.000 0.550 573 I N 0.727 121.298 120.570 0.002 0.000 2.377 573 I HA 0.353 4.523 4.170 -0.000 0.000 0.293 573 I C 0.625 176.706 176.117 -0.061 0.000 0.987 573 I CA -0.814 60.494 61.300 0.012 0.000 1.185 573 I CB 1.246 39.256 38.000 0.016 0.000 1.341 573 I HN 0.018 nan 8.210 nan 0.000 0.455 574 I N 6.451 126.995 120.570 -0.044 0.000 2.496 574 I HA 0.164 4.334 4.170 -0.000 0.000 0.285 574 I C -0.369 175.725 176.117 -0.039 0.000 1.080 574 I CA -0.328 60.899 61.300 -0.122 0.000 1.404 574 I CB 0.968 38.901 38.000 -0.111 0.000 1.403 574 I HN 0.208 nan 8.210 nan 0.000 0.539 575 V N 6.421 126.299 119.914 -0.060 0.000 2.409 575 V HA 0.673 4.793 4.120 -0.000 0.000 0.291 575 V C 0.206 176.326 176.094 0.044 0.000 1.020 575 V CA -0.463 61.856 62.300 0.031 0.000 0.848 575 V CB 1.358 33.190 31.823 0.014 0.000 0.990 575 V HN 0.853 nan 8.190 nan 0.000 0.430 576 A N 3.811 126.700 122.820 0.117 0.000 2.380 576 A HA 0.948 5.268 4.320 -0.000 0.000 0.315 576 A C -0.307 177.437 177.584 0.268 0.000 1.101 576 A CA -0.515 51.595 52.037 0.122 0.000 0.771 576 A CB 1.900 20.872 19.000 -0.045 0.000 1.287 576 A HN 0.687 nan 8.150 nan 0.000 0.436 577 S N -0.162 115.728 115.700 0.317 0.000 2.570 577 S HA 0.799 5.269 4.470 -0.000 0.000 0.286 577 S C -1.498 173.437 174.600 0.557 0.000 1.099 577 S CA -0.304 58.128 58.200 0.387 0.000 0.913 577 S CB 1.379 64.750 63.200 0.286 0.000 1.085 577 S HN 0.818 nan 8.310 nan 0.000 0.480 578 F N 1.645 121.815 119.950 0.366 0.000 2.569 578 F HA 0.521 5.048 4.527 -0.000 0.000 0.312 578 F C -1.673 174.295 175.800 0.281 0.000 1.109 578 F CA -0.832 57.404 58.000 0.393 0.000 0.919 578 F CB 1.591 40.814 39.000 0.372 0.000 1.211 578 F HN 0.378 nan 8.300 nan 0.000 0.446 579 D N 4.092 124.147 120.400 -0.575 0.000 2.441 579 D HA 0.450 5.089 4.640 -0.000 0.000 0.231 579 D C 0.262 176.062 176.300 -0.833 0.000 1.073 579 D CA 0.078 53.823 54.000 -0.425 0.000 0.850 579 D CB 1.596 42.367 40.800 -0.049 0.000 1.062 579 D HN 0.787 nan 8.370 nan 0.000 0.524 580 G N 1.357 109.740 108.800 -0.696 0.000 3.019 580 G HA2 0.287 4.247 3.960 -0.000 0.000 0.152 580 G HA3 0.287 4.247 3.960 -0.000 0.000 0.152 580 G C 0.040 174.729 174.900 -0.351 0.000 1.320 580 G CA -0.667 43.976 45.100 -0.762 0.000 1.013 580 G HN 0.284 nan 8.290 nan 0.000 0.593 581 R N -0.320 120.022 120.500 -0.264 0.000 2.570 581 R HA 0.371 4.711 4.340 -0.000 0.000 0.277 581 R C 1.206 177.535 176.300 0.049 0.000 1.039 581 R CA 1.423 57.529 56.100 0.011 0.000 1.065 581 R CB 0.511 30.839 30.300 0.048 0.000 0.964 581 R HN 1.041 nan 8.270 nan 0.000 0.428 582 G N 1.270 110.112 108.800 0.070 0.000 2.258 582 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.233 582 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.233 582 G C 0.185 175.060 174.900 -0.042 0.000 1.006 582 G CA 0.173 45.293 45.100 0.033 0.000 0.620 582 G HN 0.733 nan 8.290 nan 0.000 0.511 583 S N 0.543 116.218 115.700 -0.042 0.000 2.589 583 S HA 0.621 5.091 4.470 -0.000 0.000 0.265 583 S C 0.933 175.486 174.600 -0.078 0.000 1.342 583 S CA 0.639 58.797 58.200 -0.070 0.000 1.005 583 S CB 1.655 64.839 63.200 -0.026 0.000 0.909 583 S HN 1.707 nan 8.310 nan 0.000 0.555 584 G N -0.730 107.991 108.800 -0.132 0.000 2.642 584 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 584 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 584 G C -0.901 173.875 174.900 -0.206 0.000 1.345 584 G CA -0.994 43.898 45.100 -0.347 0.000 1.043 584 G HN 0.962 nan 8.290 nan 0.000 0.528 585 Y N -2.295 118.009 120.300 0.007 0.000 4.604 585 Y HA -0.216 4.334 4.550 -0.000 0.000 0.230 585 Y C 1.355 177.286 175.900 0.052 0.000 1.066 585 Y CA 1.150 59.268 58.100 0.031 0.000 1.990 585 Y CB -2.100 36.393 38.460 0.055 0.000 1.619 585 Y HN 0.503 nan 8.280 nan 0.000 0.649 586 Q N -0.060 119.780 119.800 0.066 0.000 2.084 586 Q HA 0.504 4.844 4.340 -0.000 0.000 0.230 586 Q C 0.828 176.737 176.000 -0.151 0.000 0.806 586 Q CA 0.196 56.061 55.803 0.104 0.000 1.083 586 Q CB 1.570 30.385 28.738 0.129 0.000 1.208 586 Q HN 0.577 nan 8.270 nan 0.000 0.462 587 G N 0.728 109.290 108.800 -0.397 0.000 2.692 587 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 587 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 587 G C -0.400 174.137 174.900 -0.604 0.000 1.243 587 G CA -0.582 43.999 45.100 -0.866 0.000 0.782 587 G HN 0.140 nan 8.290 nan 0.000 0.625 588 D N 0.137 120.139 120.400 -0.663 0.000 2.218 588 D HA -0.069 4.571 4.640 -0.000 0.000 0.204 588 D C 2.196 178.176 176.300 -0.533 0.000 0.976 588 D CA 1.279 54.812 54.000 -0.779 0.000 0.853 588 D CB 0.061 40.384 40.800 -0.796 0.000 0.939 588 D HN 0.585 nan 8.370 nan 0.000 0.481 589 K N 0.546 120.728 120.400 -0.364 0.000 2.026 589 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 589 K C 2.127 178.659 176.600 -0.114 0.000 1.048 589 K CA 0.852 57.025 56.287 -0.189 0.000 0.929 589 K CB -0.102 32.310 32.500 -0.146 0.000 0.713 589 K HN 0.116 nan 8.250 nan 0.000 0.439 590 I N 0.533 121.031 120.570 -0.119 0.000 2.233 590 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 590 I C 2.684 178.792 176.117 -0.015 0.000 1.093 590 I CA 0.884 62.194 61.300 0.017 0.000 1.380 590 I CB -0.093 37.963 38.000 0.092 0.000 1.067 590 I HN 0.287 nan 8.210 nan 0.000 0.413 591 M N 0.076 119.582 119.600 -0.156 0.000 2.086 591 M HA -0.246 4.234 4.480 -0.000 0.000 0.261 591 M C 1.933 178.240 176.300 0.012 0.000 1.067 591 M CA 2.012 57.231 55.300 -0.136 0.000 1.116 591 M CB -0.326 32.084 32.600 -0.318 0.000 1.348 591 M HN 0.265 nan 8.290 nan 0.000 0.407 592 H N -0.743 118.212 119.070 -0.191 0.000 2.547 592 H HA 0.165 4.721 4.556 -0.000 0.000 0.266 592 H C 1.819 177.159 175.328 0.019 0.000 0.988 592 H CA 0.101 56.049 56.048 -0.166 0.000 1.147 592 H CB 0.113 29.682 29.762 -0.321 0.000 1.365 592 H HN 0.527 nan 8.280 nan 0.000 0.589 593 A N 1.508 124.430 122.820 0.171 0.000 2.019 593 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 593 A C 2.045 179.807 177.584 0.296 0.000 1.164 593 A CA 0.994 53.169 52.037 0.231 0.000 0.644 593 A CB -0.628 18.497 19.000 0.209 0.000 0.805 593 A HN 0.586 nan 8.150 nan 0.000 0.449 594 I N -3.162 117.537 120.570 0.216 0.000 3.861 594 I HA 0.153 4.323 4.170 -0.000 0.000 0.329 594 I C 0.381 176.526 176.117 0.046 0.000 1.321 594 I CA -0.465 60.886 61.300 0.085 0.000 1.126 594 I CB -0.651 37.383 38.000 0.057 0.000 1.018 594 I HN 0.206 nan 8.210 nan 0.000 0.407 595 N N 3.032 121.820 118.700 0.146 0.000 2.359 595 N HA -0.088 4.652 4.740 -0.000 0.000 0.261 595 N C 0.183 175.660 175.510 -0.055 0.000 1.267 595 N CA 0.305 53.441 53.050 0.142 0.000 0.864 595 N CB 0.320 38.872 38.487 0.109 0.000 1.063 595 N HN 0.402 nan 8.380 nan 0.000 0.474 596 R N 0.417 120.856 120.500 -0.101 0.000 4.000 596 R HA -0.205 4.135 4.340 -0.000 0.000 0.348 596 R C -0.263 175.851 176.300 -0.311 0.000 1.204 596 R CA 1.553 57.522 56.100 -0.218 0.000 0.987 596 R CB -1.453 28.709 30.300 -0.230 0.000 1.446 596 R HN 0.773 nan 8.270 nan 0.000 0.555 597 R N -0.129 120.227 120.500 -0.240 0.000 2.583 597 R HA 0.275 4.615 4.340 -0.000 0.000 0.282 597 R C -0.388 175.854 176.300 -0.098 0.000 1.288 597 R CA -0.690 55.307 56.100 -0.171 0.000 1.415 597 R CB 0.238 30.358 30.300 -0.299 0.000 1.331 597 R HN -0.039 nan 8.270 nan 0.000 0.719 598 L N 0.884 122.039 121.223 -0.113 0.000 2.483 598 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 598 L C 1.277 178.308 176.870 0.268 0.000 1.213 598 L CA 1.491 56.345 54.840 0.023 0.000 0.843 598 L CB 0.471 42.369 42.059 -0.269 0.000 1.107 598 L HN 0.840 nan 8.230 nan 0.000 0.487 599 G N 0.731 109.784 108.800 0.422 0.000 2.176 599 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 599 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 599 G C 0.567 175.545 174.900 0.129 0.000 0.979 599 G CA 0.659 45.962 45.100 0.338 0.000 0.641 599 G HN 0.800 nan 8.290 nan 0.000 0.530 600 T N -2.785 111.810 114.554 0.069 0.000 3.610 600 T HA 0.444 4.794 4.350 -0.000 0.000 0.209 600 T C 1.760 176.522 174.700 0.104 0.000 0.889 600 T CA 1.088 63.179 62.100 -0.016 0.000 1.469 600 T CB -0.217 68.490 68.868 -0.267 0.000 1.557 600 T HN 0.125 nan 8.240 nan 0.000 0.431 601 F N 3.501 123.492 119.950 0.068 0.000 2.216 601 F HA 0.078 4.605 4.527 0.000 0.000 0.300 601 F C 2.782 178.609 175.800 0.045 0.000 1.085 601 F CA 0.909 58.928 58.000 0.031 0.000 1.326 601 F CB -0.850 38.144 39.000 -0.010 0.000 1.027 601 F HN 0.503 nan 8.300 nan 0.000 0.497 602 E N 0.758 121.109 120.200 0.251 0.000 2.106 602 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 602 E C 2.135 178.844 176.600 0.182 0.000 0.984 602 E CA 1.411 57.925 56.400 0.191 0.000 0.806 602 E CB -1.105 28.705 29.700 0.184 0.000 0.750 602 E HN 0.285 nan 8.360 nan 0.000 0.458 603 V N 1.746 121.756 119.914 0.159 0.000 2.307 603 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 603 V C 2.345 178.499 176.094 0.099 0.000 1.045 603 V CA 2.188 64.543 62.300 0.092 0.000 1.024 603 V CB -0.624 31.211 31.823 0.019 0.000 0.651 603 V HN 0.208 nan 8.190 nan 0.000 0.449 604 E N 0.072 120.351 120.200 0.131 0.000 2.110 604 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 604 E C 1.891 178.562 176.600 0.118 0.000 0.988 604 E CA 1.464 57.941 56.400 0.128 0.000 0.804 604 E CB -0.167 29.638 29.700 0.176 0.000 0.745 604 E HN 0.575 nan 8.360 nan 0.000 0.458 605 D N 0.175 120.664 120.400 0.149 0.000 2.183 605 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 605 D C 1.931 178.287 176.300 0.092 0.000 0.969 605 D CA 0.674 54.759 54.000 0.142 0.000 0.842 605 D CB -0.046 40.877 40.800 0.205 0.000 0.957 605 D HN 0.113 nan 8.370 nan 0.000 0.484 606 Q N 0.181 120.078 119.800 0.161 0.000 2.079 606 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 606 Q C 2.543 178.604 176.000 0.101 0.000 0.974 606 Q CA 0.533 56.438 55.803 0.169 0.000 0.840 606 Q CB -0.045 28.810 28.738 0.196 0.000 0.898 606 Q HN 0.419 nan 8.270 nan 0.000 0.430 607 I N 0.783 121.426 120.570 0.121 0.000 2.142 607 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 607 I C 2.564 178.650 176.117 -0.051 0.000 1.078 607 I CA 1.309 62.706 61.300 0.161 0.000 1.343 607 I CB -0.341 37.746 38.000 0.145 0.000 1.046 607 I HN 0.285 nan 8.210 nan 0.000 0.405 608 E N 1.252 121.388 120.200 -0.106 0.000 2.085 608 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 608 E C 2.246 178.585 176.600 -0.434 0.000 0.994 608 E CA 1.420 57.695 56.400 -0.209 0.000 0.801 608 E CB -0.029 29.584 29.700 -0.145 0.000 0.743 608 E HN 0.479 nan 8.360 nan 0.000 0.453 609 A N 0.214 122.643 122.820 -0.652 0.000 1.902 609 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 609 A C 2.362 179.122 177.584 -1.374 0.000 1.181 609 A CA 2.021 53.328 52.037 -1.216 0.000 0.623 609 A CB -0.893 16.955 19.000 -1.921 0.000 0.818 609 A HN 0.345 nan 8.150 nan 0.000 0.443 610 T N -0.910 113.168 114.554 -0.794 0.000 2.915 610 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 610 T C 2.009 176.452 174.700 -0.428 0.000 1.071 610 T CA 1.380 63.169 62.100 -0.518 0.000 1.132 610 T CB -0.170 68.605 68.868 -0.155 0.000 0.878 610 T HN 0.492 nan 8.240 nan 0.000 0.479 611 R N 0.842 121.106 120.500 -0.394 0.000 2.081 611 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 611 R C 2.649 178.779 176.300 -0.283 0.000 1.131 611 R CA 1.301 57.229 56.100 -0.287 0.000 0.960 611 R CB -0.078 30.087 30.300 -0.225 0.000 0.856 611 R HN 0.483 nan 8.270 nan 0.000 0.436 612 Q N -0.994 118.575 119.800 -0.386 0.000 2.172 612 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 612 Q C 1.679 177.559 176.000 -0.200 0.000 0.964 612 Q CA 0.922 56.541 55.803 -0.306 0.000 0.855 612 Q CB 0.057 28.581 28.738 -0.357 0.000 0.918 612 Q HN 0.265 nan 8.270 nan 0.000 0.444 613 F N 0.947 120.727 119.950 -0.283 0.000 2.146 613 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 613 F C 2.722 178.353 175.800 -0.281 0.000 1.096 613 F CA 1.337 59.166 58.000 -0.284 0.000 1.275 613 F CB -1.218 37.647 39.000 -0.225 0.000 1.008 613 F HN 0.065 nan 8.300 nan 0.000 0.480 614 S N 0.674 116.339 115.700 -0.059 0.000 2.474 614 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 614 S C 1.806 176.315 174.600 -0.151 0.000 0.997 614 S CA 0.990 59.118 58.200 -0.120 0.000 0.949 614 S CB -0.808 62.309 63.200 -0.137 0.000 0.766 614 S HN 0.638 nan 8.310 nan 0.000 0.517 615 K N 0.632 120.941 120.400 -0.151 0.000 2.366 615 K HA 0.096 4.416 4.320 -0.000 0.000 0.198 615 K C 0.605 177.104 176.600 -0.168 0.000 1.044 615 K CA 0.233 56.437 56.287 -0.138 0.000 0.973 615 K CB -0.314 32.113 32.500 -0.122 0.000 0.767 615 K HN 0.381 nan 8.250 nan 0.000 0.475 616 M N 1.719 121.164 119.600 -0.258 0.000 2.228 616 M HA 0.088 4.568 4.480 -0.000 0.000 0.351 616 M C 1.171 177.197 176.300 -0.457 0.000 1.233 616 M CA 0.043 55.089 55.300 -0.423 0.000 1.129 616 M CB 1.334 33.468 32.600 -0.776 0.000 1.604 616 M HN 0.293 nan 8.290 nan 0.000 0.457 617 G N 2.537 111.175 108.800 -0.270 0.000 2.653 617 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.212 617 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.212 617 G C 0.613 175.498 174.900 -0.025 0.000 1.138 617 G CA 0.357 45.388 45.100 -0.114 0.000 0.782 617 G HN 0.811 nan 8.290 nan 0.000 0.535 618 F N -1.023 118.998 119.950 0.120 0.000 2.639 618 F HA 0.610 5.137 4.527 -0.000 0.000 0.302 618 F C -0.224 175.716 175.800 0.233 0.000 1.097 618 F CA -1.597 56.524 58.000 0.201 0.000 1.294 618 F CB -0.058 39.152 39.000 0.349 0.000 1.027 618 F HN -0.167 nan 8.300 nan 0.000 0.550 619 V N 1.828 121.757 119.914 0.024 0.000 2.384 619 V HA 0.190 4.310 4.120 -0.000 0.000 0.287 619 V C -0.647 175.444 176.094 -0.005 0.000 1.020 619 V CA -0.758 61.576 62.300 0.056 0.000 0.850 619 V CB 1.418 33.206 31.823 -0.058 0.000 0.987 619 V HN 0.101 nan 8.190 nan 0.000 0.436 620 D N 4.286 124.684 120.400 -0.004 0.000 2.416 620 D HA 0.007 4.647 4.640 -0.000 0.000 0.240 620 D C 1.355 177.607 176.300 -0.080 0.000 1.250 620 D CA -0.264 53.700 54.000 -0.059 0.000 0.967 620 D CB 0.651 41.395 40.800 -0.094 0.000 1.059 620 D HN 0.707 nan 8.370 nan 0.000 0.512 621 D N 2.768 123.123 120.400 -0.075 0.000 2.357 621 D HA -0.225 4.415 4.640 -0.000 0.000 0.216 621 D C 0.768 177.025 176.300 -0.071 0.000 0.973 621 D CA 0.651 54.599 54.000 -0.086 0.000 0.912 621 D CB 0.140 40.886 40.800 -0.090 0.000 0.900 621 D HN 0.446 nan 8.370 nan 0.000 0.501 622 K N -0.120 120.244 120.400 -0.060 0.000 2.418 622 K HA 0.111 4.431 4.320 -0.000 0.000 0.195 622 K C 0.680 177.271 176.600 -0.015 0.000 1.035 622 K CA 0.152 56.419 56.287 -0.033 0.000 1.003 622 K CB 0.483 32.965 32.500 -0.030 0.000 0.793 622 K HN -0.002 nan 8.250 nan 0.000 0.494 623 R N 1.279 121.737 120.500 -0.070 0.000 2.644 623 R HA 0.354 4.694 4.340 -0.000 0.000 0.271 623 R C -1.040 175.201 176.300 -0.099 0.000 1.687 623 R CA -0.122 55.917 56.100 -0.101 0.000 1.655 623 R CB 0.717 30.769 30.300 -0.413 0.000 1.285 623 R HN -0.011 nan 8.270 nan 0.000 0.643 624 I N 1.120 121.768 120.570 0.130 0.000 2.433 624 I HA 0.651 4.821 4.170 -0.000 0.000 0.292 624 I C -0.047 176.352 176.117 0.469 0.000 1.001 624 I CA -0.860 60.558 61.300 0.197 0.000 1.119 624 I CB 1.996 39.958 38.000 -0.064 0.000 1.289 624 I HN 0.361 nan 8.210 nan 0.000 0.438 625 A N 6.770 129.963 122.820 0.622 0.000 2.485 625 A HA 0.927 5.247 4.320 -0.000 0.000 0.292 625 A C -1.311 176.645 177.584 0.620 0.000 1.147 625 A CA -0.622 51.777 52.037 0.602 0.000 0.750 625 A CB 2.334 21.587 19.000 0.422 0.000 1.331 625 A HN 0.736 nan 8.150 nan 0.000 0.419 626 I N 0.519 121.372 120.570 0.471 0.000 2.752 626 I HA 0.735 4.905 4.170 -0.000 0.000 0.295 626 I C -1.922 174.449 176.117 0.424 0.000 1.219 626 I CA -0.536 60.985 61.300 0.368 0.000 1.030 626 I CB 1.699 39.680 38.000 -0.031 0.000 1.259 626 I HN 0.951 nan 8.210 nan 0.000 0.423 627 W N 6.855 128.290 121.300 0.226 0.000 3.118 627 W HA 0.867 5.527 4.660 -0.000 0.000 0.328 627 W C -1.440 175.222 176.519 0.239 0.000 1.239 627 W CA -1.019 56.462 57.345 0.226 0.000 1.176 627 W CB 1.019 30.663 29.460 0.306 0.000 1.433 627 W HN 0.850 nan 8.180 nan 0.000 0.562 628 G N 0.581 109.237 108.800 -0.240 0.000 2.547 628 G HA2 0.445 4.405 3.960 -0.000 0.000 0.291 628 G HA3 0.445 4.405 3.960 -0.000 0.000 0.291 628 G C -2.764 172.007 174.900 -0.215 0.000 1.471 628 G CA -0.769 44.034 45.100 -0.494 0.000 0.798 628 G HN 0.608 nan 8.290 nan 0.000 0.504 629 W N 0.987 122.068 121.300 -0.366 0.000 2.666 629 W HA 0.575 5.235 4.660 -0.000 0.000 0.334 629 W C 0.828 177.259 176.519 -0.147 0.000 1.051 629 W CA 0.536 57.752 57.345 -0.216 0.000 1.224 629 W CB 1.686 31.011 29.460 -0.226 0.000 1.405 629 W HN 1.099 nan 8.180 nan 0.000 0.513 630 S N 1.709 117.553 115.700 0.240 0.000 4.116 630 S HA -0.429 4.041 4.470 -0.000 0.000 0.623 630 S C 0.789 175.465 174.600 0.126 0.000 1.933 630 S CA 1.591 59.922 58.200 0.218 0.000 4.224 630 S CB -1.530 61.833 63.200 0.272 0.000 0.208 630 S HN 0.741 nan 8.310 nan 0.000 0.527 631 Y N 3.091 123.437 120.300 0.077 0.000 2.207 631 Y HA 0.001 4.550 4.550 -0.000 0.000 0.287 631 Y C 2.429 178.500 175.900 0.286 0.000 1.156 631 Y CA 2.204 60.450 58.100 0.243 0.000 1.182 631 Y CB -1.002 37.714 38.460 0.426 0.000 0.979 631 Y HN 0.551 nan 8.280 nan 0.000 0.521 632 G N -1.044 107.977 108.800 0.369 0.000 2.432 632 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 632 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 632 G C 1.890 176.854 174.900 0.107 0.000 1.135 632 G CA 0.722 45.966 45.100 0.240 0.000 0.767 632 G HN 0.571 nan 8.290 nan 0.000 0.550 633 G N -0.304 108.541 108.800 0.074 0.000 2.421 633 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 633 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 633 G C 1.571 176.510 174.900 0.065 0.000 1.143 633 G CA 0.988 46.110 45.100 0.037 0.000 0.784 633 G HN 0.418 nan 8.290 nan 0.000 0.541 634 Y N 1.382 121.617 120.300 -0.109 0.000 2.145 634 Y HA -0.096 4.454 4.550 0.000 0.000 0.286 634 Y C 2.697 178.538 175.900 -0.098 0.000 1.145 634 Y CA 1.519 59.504 58.100 -0.192 0.000 1.148 634 Y CB -0.454 37.745 38.460 -0.436 0.000 0.981 634 Y HN 0.023 nan 8.280 nan 0.000 0.507 635 V N -0.238 119.588 119.914 -0.146 0.000 2.295 635 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 635 V C 2.331 178.333 176.094 -0.153 0.000 1.049 635 V CA 2.411 64.611 62.300 -0.167 0.000 1.024 635 V CB -1.174 30.724 31.823 0.124 0.000 0.648 635 V HN 0.487 nan 8.190 nan 0.000 0.447 636 T N 0.015 114.534 114.554 -0.058 0.000 2.665 636 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 636 T C 2.119 176.758 174.700 -0.100 0.000 1.035 636 T CA 2.122 64.185 62.100 -0.061 0.000 1.151 636 T CB -0.294 68.611 68.868 0.062 0.000 0.862 636 T HN 0.525 nan 8.240 nan 0.000 0.438 637 S N 0.874 116.549 115.700 -0.041 0.000 2.383 637 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 637 S C 2.105 176.616 174.600 -0.149 0.000 1.026 637 S CA 0.882 59.075 58.200 -0.011 0.000 0.981 637 S CB -0.249 63.005 63.200 0.090 0.000 0.818 637 S HN 0.316 nan 8.310 nan 0.000 0.472 638 M N 0.893 120.322 119.600 -0.285 0.000 2.175 638 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 638 M C 2.174 178.316 176.300 -0.262 0.000 1.063 638 M CA 0.967 56.087 55.300 -0.300 0.000 1.119 638 M CB -1.386 30.937 32.600 -0.462 0.000 1.377 638 M HN 0.169 nan 8.290 nan 0.000 0.415 639 V N 0.585 120.329 119.914 -0.282 0.000 2.358 639 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 639 V C 2.497 178.372 176.094 -0.365 0.000 1.047 639 V CA 1.320 63.439 62.300 -0.301 0.000 1.035 639 V CB -0.596 30.965 31.823 -0.437 0.000 0.658 639 V HN 0.387 nan 8.190 nan 0.000 0.452 640 L N 0.400 121.340 121.223 -0.472 0.000 2.131 640 L HA -0.061 4.279 4.340 -0.000 0.000 0.210 640 L C 2.416 178.794 176.870 -0.820 0.000 1.092 640 L CA 1.592 56.075 54.840 -0.596 0.000 0.759 640 L CB -0.877 40.754 42.059 -0.713 0.000 0.903 640 L HN 0.480 nan 8.230 nan 0.000 0.435 641 G N -0.986 107.312 108.800 -0.837 0.000 2.813 641 G HA2 0.032 3.992 3.960 -0.000 0.000 0.209 641 G HA3 0.032 3.992 3.960 -0.000 0.000 0.209 641 G C 1.597 176.351 174.900 -0.243 0.000 1.150 641 G CA 0.541 45.294 45.100 -0.578 0.000 0.785 641 G HN 0.413 nan 8.290 nan 0.000 0.535 642 A N 0.148 122.844 122.820 -0.206 0.000 2.119 642 A HA 0.417 4.737 4.320 -0.000 0.000 0.217 642 A C 2.061 179.607 177.584 -0.063 0.000 1.153 642 A CA 1.267 53.246 52.037 -0.097 0.000 0.692 642 A CB -0.501 18.461 19.000 -0.063 0.000 0.799 642 A HN 1.483 nan 8.150 nan 0.000 0.458 643 G N 0.007 108.757 108.800 -0.083 0.000 2.295 643 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.287 643 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.287 643 G C 0.857 175.754 174.900 -0.005 0.000 1.055 643 G CA 1.153 46.229 45.100 -0.041 0.000 0.922 643 G HN 1.433 nan 8.290 nan 0.000 0.503 644 S N -1.202 114.512 115.700 0.022 0.000 2.496 644 S HA 0.359 4.829 4.470 -0.000 0.000 0.224 644 S C 2.425 177.042 174.600 0.029 0.000 0.996 644 S CA 1.346 59.572 58.200 0.043 0.000 0.927 644 S CB 0.087 63.350 63.200 0.105 0.000 0.774 644 S HN 2.367 nan 8.310 nan 0.000 0.524 645 G N 0.448 109.270 108.800 0.037 0.000 2.189 645 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 645 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 645 G C 0.802 175.701 174.900 -0.002 0.000 0.975 645 G CA 0.517 45.629 45.100 0.019 0.000 0.644 645 G HN 0.674 nan 8.290 nan 0.000 0.537 646 V N -0.539 119.366 119.914 -0.015 0.000 2.488 646 V HA 0.270 4.390 4.120 -0.000 0.000 0.246 646 V C 1.185 177.096 176.094 -0.304 0.000 1.046 646 V CA 1.470 63.642 62.300 -0.214 0.000 1.053 646 V CB -0.337 31.248 31.823 -0.396 0.000 0.679 646 V HN 0.290 nan 8.190 nan 0.000 0.458 647 F N 0.078 120.045 119.950 0.027 0.000 2.420 647 F HA 0.408 4.935 4.527 0.000 0.000 0.342 647 F C 1.116 176.964 175.800 0.079 0.000 1.113 647 F CA -0.575 57.468 58.000 0.071 0.000 1.059 647 F CB 1.345 40.389 39.000 0.072 0.000 1.128 647 F HN -0.240 nan 8.300 nan 0.000 0.475 648 K N 1.746 122.315 120.400 0.282 0.000 2.076 648 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 648 K C -0.008 176.731 176.600 0.231 0.000 1.051 648 K CA 1.040 57.457 56.287 0.216 0.000 0.949 648 K CB 0.220 32.848 32.500 0.214 0.000 0.726 648 K HN 0.813 nan 8.250 nan 0.000 0.443 649 c N -2.950 115.827 118.600 0.295 0.000 3.332 649 c HA 0.903 5.473 4.570 -0.000 0.000 0.329 649 c C -0.158 174.163 174.090 0.385 0.000 1.434 649 c CA -0.649 55.875 56.329 0.326 0.000 1.314 649 c CB 1.119 43.770 42.510 0.235 0.000 1.664 649 c HN 0.362 nan 8.230 nan 0.000 0.457 650 G N -0.205 108.878 108.800 0.471 0.000 2.646 650 G HA2 0.729 4.689 3.960 -0.000 0.000 0.291 650 G HA3 0.729 4.689 3.960 -0.000 0.000 0.291 650 G C -2.035 173.085 174.900 0.367 0.000 1.445 650 G CA -0.693 44.651 45.100 0.407 0.000 0.814 650 G HN 1.007 nan 8.290 nan 0.000 0.495 651 I N 0.594 121.347 120.570 0.304 0.000 2.499 651 I HA 0.603 4.773 4.170 -0.000 0.000 0.288 651 I C 0.063 176.286 176.117 0.176 0.000 1.048 651 I CA -0.975 60.383 61.300 0.097 0.000 1.062 651 I CB 2.228 40.279 38.000 0.084 0.000 1.238 651 I HN 0.676 nan 8.210 nan 0.000 0.426 652 A N 6.401 129.227 122.820 0.011 0.000 2.303 652 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 652 A C -0.761 176.721 177.584 -0.170 0.000 1.192 652 A CA -0.518 51.531 52.037 0.021 0.000 0.821 652 A CB 1.260 20.351 19.000 0.152 0.000 1.188 652 A HN 0.440 nan 8.150 nan 0.000 0.492 653 V N 2.054 121.800 119.914 -0.280 0.000 2.417 653 V HA 0.571 4.691 4.120 -0.000 0.000 0.291 653 V C 0.936 176.596 176.094 -0.722 0.000 1.024 653 V CA 0.286 62.195 62.300 -0.652 0.000 0.861 653 V CB 0.948 32.041 31.823 -1.216 0.000 0.985 653 V HN 2.085 nan 8.190 nan 0.000 0.436 654 A N 5.556 127.931 122.820 -0.742 0.000 2.462 654 A HA -0.109 4.211 4.320 -0.000 0.000 0.294 654 A C -1.690 175.684 177.584 -0.349 0.000 1.461 654 A CA 0.514 52.011 52.037 -0.899 0.000 0.765 654 A CB -1.539 17.104 19.000 -0.596 0.000 1.071 654 A HN 0.620 nan 8.150 nan 0.000 0.401 655 P HA 0.415 nan 4.420 nan 0.000 0.277 655 P C 0.143 177.393 177.300 -0.084 0.000 1.240 655 P CA -0.229 62.826 63.100 -0.075 0.000 0.798 655 P CB 1.368 33.063 31.700 -0.009 0.000 0.979 656 V N 2.348 122.120 119.914 -0.237 0.000 2.686 656 V HA 0.068 4.188 4.120 -0.000 0.000 0.295 656 V C 1.730 177.631 176.094 -0.322 0.000 1.055 656 V CA 0.964 62.982 62.300 -0.470 0.000 1.050 656 V CB 0.807 31.939 31.823 -1.153 0.000 0.984 656 V HN 0.839 nan 8.190 nan 0.000 0.482 657 S N 3.030 118.586 115.700 -0.240 0.000 2.549 657 S HA 0.291 4.761 4.470 -0.000 0.000 0.225 657 S C 0.316 174.778 174.600 -0.231 0.000 1.039 657 S CA -0.223 57.904 58.200 -0.122 0.000 0.942 657 S CB 0.254 63.439 63.200 -0.024 0.000 0.881 657 S HN 0.671 nan 8.310 nan 0.000 0.503 658 K N -0.450 119.707 120.400 -0.405 0.000 2.589 658 K HA 0.274 4.594 4.320 -0.000 0.000 0.253 658 K C -1.020 175.309 176.600 -0.451 0.000 0.974 658 K CA -0.684 55.318 56.287 -0.476 0.000 0.835 658 K CB 0.590 32.670 32.500 -0.700 0.000 1.272 658 K HN 0.137 nan 8.250 nan 0.000 0.444 659 W N 2.187 123.450 121.300 -0.062 0.000 2.350 659 W HA -0.127 4.533 4.660 -0.000 0.000 0.289 659 W C 1.280 177.950 176.519 0.252 0.000 1.215 659 W CA 0.886 58.291 57.345 0.100 0.000 1.236 659 W CB 0.241 29.736 29.460 0.058 0.000 1.130 659 W HN 0.768 nan 8.180 nan 0.000 0.541 660 E N -1.102 119.280 120.200 0.304 0.000 2.333 660 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 660 E C 1.388 178.131 176.600 0.238 0.000 1.007 660 E CA 0.991 57.490 56.400 0.166 0.000 0.845 660 E CB -0.287 29.388 29.700 -0.042 0.000 0.766 660 E HN 0.364 nan 8.360 nan 0.000 0.507 661 Y N -1.502 118.896 120.300 0.163 0.000 2.517 661 Y HA 0.055 4.605 4.550 -0.000 0.000 0.281 661 Y C 0.702 176.712 175.900 0.183 0.000 1.125 661 Y CA -0.293 57.873 58.100 0.110 0.000 1.283 661 Y CB -0.448 38.021 38.460 0.016 0.000 1.042 661 Y HN 0.026 nan 8.280 nan 0.000 0.547 662 Y N 1.975 122.438 120.300 0.270 0.000 2.340 662 Y HA 0.269 4.819 4.550 0.000 0.000 0.327 662 Y C 0.396 176.523 175.900 0.378 0.000 1.321 662 Y CA -2.084 56.184 58.100 0.280 0.000 1.433 662 Y CB 0.282 38.947 38.460 0.342 0.000 1.373 662 Y HN 0.199 nan 8.280 nan 0.000 0.538 663 D N -0.572 119.569 120.400 -0.431 0.000 2.368 663 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 663 D C 0.957 177.243 176.300 -0.023 0.000 1.169 663 D CA 0.409 54.231 54.000 -0.297 0.000 0.906 663 D CB 0.814 41.218 40.800 -0.659 0.000 1.187 663 D HN 0.475 nan 8.370 nan 0.000 0.435 664 S N 1.088 116.782 115.700 -0.010 0.000 2.348 664 S HA -0.215 4.255 4.470 -0.000 0.000 0.221 664 S C 1.927 176.556 174.600 0.048 0.000 1.033 664 S CA 1.158 59.400 58.200 0.069 0.000 1.010 664 S CB -1.012 62.231 63.200 0.073 0.000 0.891 664 S HN 0.427 nan 8.310 nan 0.000 0.442 665 V N 0.975 120.856 119.914 -0.054 0.000 2.255 665 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 665 V C 2.332 178.370 176.094 -0.095 0.000 1.051 665 V CA 2.360 64.555 62.300 -0.174 0.000 1.018 665 V CB -1.107 30.449 31.823 -0.445 0.000 0.641 665 V HN 0.614 nan 8.190 nan 0.000 0.445 666 Y N 1.280 121.532 120.300 -0.081 0.000 2.133 666 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 666 Y C 2.730 178.678 175.900 0.080 0.000 1.134 666 Y CA 2.285 60.429 58.100 0.072 0.000 1.133 666 Y CB -0.623 38.060 38.460 0.373 0.000 0.987 666 Y HN 0.248 nan 8.280 nan 0.000 0.502 667 T N 0.365 115.175 114.554 0.427 0.000 2.652 667 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 667 T C 1.571 176.261 174.700 -0.016 0.000 1.039 667 T CA 1.972 64.247 62.100 0.292 0.000 1.153 667 T CB -0.360 68.816 68.868 0.512 0.000 0.863 667 T HN 0.445 nan 8.240 nan 0.000 0.428 668 E N 0.553 120.761 120.200 0.014 0.000 2.204 668 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 668 E C 2.345 178.810 176.600 -0.224 0.000 0.990 668 E CA 0.533 56.918 56.400 -0.026 0.000 0.821 668 E CB -0.137 29.593 29.700 0.051 0.000 0.750 668 E HN 0.335 nan 8.360 nan 0.000 0.477 669 R N 0.124 120.338 120.500 -0.476 0.000 2.103 669 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 669 R C 1.364 177.109 176.300 -0.924 0.000 1.142 669 R CA 1.734 57.358 56.100 -0.795 0.000 0.960 669 R CB -0.059 29.435 30.300 -1.343 0.000 0.858 669 R HN 0.245 nan 8.270 nan 0.000 0.439 670 Y N -2.340 117.638 120.300 -0.537 0.000 2.524 670 Y HA 0.214 4.764 4.550 0.000 0.000 0.270 670 Y C 1.701 177.380 175.900 -0.368 0.000 1.094 670 Y CA 0.045 57.823 58.100 -0.537 0.000 1.276 670 Y CB 0.378 38.383 38.460 -0.759 0.000 1.130 670 Y HN -0.025 nan 8.280 nan 0.000 0.536 671 M N -0.413 119.041 119.600 -0.243 0.000 2.308 671 M HA 0.369 4.849 4.480 -0.000 0.000 0.269 671 M C 1.075 177.339 176.300 -0.059 0.000 1.040 671 M CA 0.758 55.896 55.300 -0.270 0.000 1.024 671 M CB -0.289 31.930 32.600 -0.636 0.000 1.465 671 M HN 0.351 nan 8.290 nan 0.000 0.517 672 G N 1.814 110.614 108.800 -0.000 0.000 2.598 672 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 672 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 672 G C -0.514 174.513 174.900 0.211 0.000 1.302 672 G CA -0.705 44.441 45.100 0.077 0.000 0.903 672 G HN 0.349 nan 8.290 nan 0.000 0.575 673 L N 2.065 123.388 121.223 0.166 0.000 2.357 673 L HA 0.468 4.808 4.340 -0.000 0.000 0.273 673 L C -1.472 175.433 176.870 0.059 0.000 1.080 673 L CA -1.762 53.143 54.840 0.108 0.000 0.803 673 L CB 1.901 43.981 42.059 0.035 0.000 1.174 673 L HN 0.454 nan 8.230 nan 0.000 0.443 674 P HA 0.098 nan 4.420 nan 0.000 0.214 674 P C -0.724 176.459 177.300 -0.196 0.000 1.826 674 P CA -0.171 62.593 63.100 -0.560 0.000 0.977 674 P CB -0.222 30.744 31.700 -1.224 0.000 1.930 675 T N -2.364 112.159 114.554 -0.051 0.000 2.908 675 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 675 T C -1.988 172.725 174.700 0.022 0.000 1.034 675 T CA -2.447 59.642 62.100 -0.019 0.000 1.010 675 T CB 2.016 70.877 68.868 -0.011 0.000 1.068 675 T HN -0.188 nan 8.240 nan 0.000 0.481 676 P HA -0.092 nan 4.420 nan 0.000 0.219 676 P C 0.713 178.036 177.300 0.037 0.000 1.146 676 P CA 1.171 64.291 63.100 0.033 0.000 0.808 676 P CB 0.155 31.868 31.700 0.021 0.000 0.779 677 E N -0.722 119.494 120.200 0.027 0.000 2.274 677 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 677 E C 1.488 178.109 176.600 0.034 0.000 0.996 677 E CA 0.838 57.253 56.400 0.025 0.000 0.840 677 E CB -0.335 29.373 29.700 0.014 0.000 0.772 677 E HN 0.333 nan 8.360 nan 0.000 0.491 678 D N -0.484 119.945 120.400 0.047 0.000 3.168 678 D HA 0.090 4.730 4.640 -0.000 0.000 0.219 678 D C 0.158 176.519 176.300 0.101 0.000 1.310 678 D CA -0.052 53.985 54.000 0.062 0.000 1.348 678 D CB -0.125 40.711 40.800 0.060 0.000 0.925 678 D HN -0.012 nan 8.370 nan 0.000 0.185 679 N N 0.158 118.954 118.700 0.159 0.000 2.291 679 N HA 0.049 4.789 4.740 -0.000 0.000 0.244 679 N C 1.279 177.012 175.510 0.371 0.000 1.216 679 N CA -0.121 53.072 53.050 0.237 0.000 0.879 679 N CB 0.683 39.292 38.487 0.204 0.000 1.167 679 N HN 0.031 nan 8.380 nan 0.000 0.515 680 L N 1.061 122.434 121.223 0.249 0.000 2.081 680 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 680 L C 1.367 178.374 176.870 0.228 0.000 1.080 680 L CA 1.960 56.926 54.840 0.211 0.000 0.754 680 L CB -0.399 41.704 42.059 0.073 0.000 0.893 680 L HN 0.142 nan 8.230 nan 0.000 0.433 681 D N -1.219 119.294 120.400 0.187 0.000 2.123 681 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 681 D C 1.999 178.325 176.300 0.044 0.000 0.992 681 D CA 1.755 55.814 54.000 0.098 0.000 0.833 681 D CB -0.299 40.548 40.800 0.078 0.000 0.954 681 D HN 0.466 nan 8.370 nan 0.000 0.455 682 Y N -0.985 119.369 120.300 0.089 0.000 2.516 682 Y HA -0.045 4.505 4.550 -0.000 0.000 0.291 682 Y C 1.874 177.812 175.900 0.064 0.000 1.131 682 Y CA 0.336 58.460 58.100 0.039 0.000 1.281 682 Y CB -0.229 38.211 38.460 -0.034 0.000 1.013 682 Y HN 0.049 nan 8.280 nan 0.000 0.554 683 Y N -0.398 120.005 120.300 0.171 0.000 2.220 683 Y HA -0.160 4.390 4.550 0.000 0.000 0.291 683 Y C 2.708 178.674 175.900 0.109 0.000 1.129 683 Y CA 1.489 59.686 58.100 0.161 0.000 1.161 683 Y CB -0.192 38.341 38.460 0.122 0.000 0.997 683 Y HN -0.078 nan 8.280 nan 0.000 0.522 684 R N 0.998 121.635 120.500 0.227 0.000 2.092 684 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 684 R C 1.348 177.682 176.300 0.056 0.000 1.119 684 R CA 1.678 57.842 56.100 0.106 0.000 0.970 684 R CB -0.336 30.000 30.300 0.060 0.000 0.864 684 R HN 0.413 nan 8.270 nan 0.000 0.440 685 N N 0.106 118.817 118.700 0.018 0.000 2.313 685 N HA -0.049 4.691 4.740 -0.000 0.000 0.207 685 N C -0.096 175.434 175.510 0.033 0.000 1.141 685 N CA 0.542 53.584 53.050 -0.013 0.000 0.830 685 N CB 0.760 39.189 38.487 -0.097 0.000 1.008 685 N HN 0.194 nan 8.380 nan 0.000 0.481 686 S N -1.505 114.265 115.700 0.116 0.000 2.602 686 S HA 0.086 4.556 4.470 -0.000 0.000 0.240 686 S C 0.556 175.306 174.600 0.252 0.000 0.992 686 S CA -0.461 57.869 58.200 0.217 0.000 0.971 686 S CB -0.587 62.816 63.200 0.338 0.000 0.855 686 S HN 0.345 nan 8.310 nan 0.000 0.481 687 T N -0.995 113.635 114.554 0.125 0.000 2.882 687 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 687 T C 1.329 176.062 174.700 0.054 0.000 1.014 687 T CA -0.525 61.611 62.100 0.059 0.000 1.049 687 T CB 1.233 70.090 68.868 -0.019 0.000 1.001 687 T HN -0.042 nan 8.240 nan 0.000 0.525 688 V N 1.581 121.512 119.914 0.028 0.000 2.488 688 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 688 V C 2.619 178.684 176.094 -0.049 0.000 1.046 688 V CA 1.346 63.641 62.300 -0.007 0.000 1.053 688 V CB -0.988 30.813 31.823 -0.037 0.000 0.679 688 V HN 0.803 nan 8.190 nan 0.000 0.458 689 M N 1.389 120.945 119.600 -0.074 0.000 2.195 689 M HA -0.174 4.306 4.480 -0.000 0.000 0.260 689 M C 2.335 178.605 176.300 -0.049 0.000 1.066 689 M CA 2.136 57.381 55.300 -0.092 0.000 1.089 689 M CB -1.009 31.550 32.600 -0.067 0.000 1.377 689 M HN 0.538 nan 8.290 nan 0.000 0.411 690 S N -0.262 115.426 115.700 -0.019 0.000 2.474 690 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 690 S C 1.676 176.283 174.600 0.012 0.000 0.997 690 S CA 0.726 58.923 58.200 -0.004 0.000 0.949 690 S CB -0.427 62.774 63.200 0.002 0.000 0.766 690 S HN 0.555 nan 8.310 nan 0.000 0.517 691 R N 0.374 120.896 120.500 0.036 0.000 2.507 691 R HA 0.483 4.823 4.340 -0.000 0.000 0.298 691 R C 1.937 178.344 176.300 0.177 0.000 0.999 691 R CA 0.387 56.536 56.100 0.082 0.000 1.082 691 R CB -0.082 30.268 30.300 0.084 0.000 1.246 691 R HN 0.445 nan 8.270 nan 0.000 0.553 692 A N 1.439 124.302 122.820 0.072 0.000 1.917 692 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 692 A C 2.040 179.699 177.584 0.126 0.000 1.182 692 A CA 1.844 53.892 52.037 0.019 0.000 0.633 692 A CB -0.201 18.740 19.000 -0.099 0.000 0.819 692 A HN 0.270 nan 8.150 nan 0.000 0.448 693 E N 0.531 120.783 120.200 0.086 0.000 2.085 693 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 693 E C 1.711 178.368 176.600 0.095 0.000 0.994 693 E CA 1.889 58.335 56.400 0.077 0.000 0.801 693 E CB -0.532 29.195 29.700 0.045 0.000 0.743 693 E HN 0.780 nan 8.360 nan 0.000 0.453 694 N N -1.163 117.587 118.700 0.083 0.000 2.443 694 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 694 N C 0.976 176.475 175.510 -0.018 0.000 1.037 694 N CA 0.380 53.436 53.050 0.010 0.000 0.896 694 N CB -0.172 38.278 38.487 -0.063 0.000 0.959 694 N HN 0.144 nan 8.380 nan 0.000 0.442 695 F N 1.565 121.470 119.950 -0.074 0.000 2.546 695 F HA -0.028 4.499 4.527 0.000 0.000 0.298 695 F C 1.943 177.748 175.800 0.009 0.000 1.120 695 F CA 0.814 58.766 58.000 -0.080 0.000 1.456 695 F CB -0.013 38.885 39.000 -0.170 0.000 1.088 695 F HN -0.079 nan 8.300 nan 0.000 0.572 696 K N -0.365 120.136 120.400 0.168 0.000 2.280 696 K HA -0.142 4.178 4.320 -0.000 0.000 0.202 696 K C 1.513 178.175 176.600 0.104 0.000 1.047 696 K CA 0.716 57.085 56.287 0.137 0.000 0.942 696 K CB -0.078 32.483 32.500 0.102 0.000 0.739 696 K HN 0.204 nan 8.250 nan 0.000 0.457 697 Q N 0.132 119.971 119.800 0.065 0.000 2.403 697 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 697 Q C 0.612 176.650 176.000 0.063 0.000 0.932 697 Q CA 0.273 56.106 55.803 0.050 0.000 0.945 697 Q CB 0.272 29.022 28.738 0.019 0.000 1.045 697 Q HN 0.210 nan 8.270 nan 0.000 0.511 698 V N -3.520 116.447 119.914 0.087 0.000 3.160 698 V HA 0.551 4.671 4.120 -0.000 0.000 0.310 698 V C -0.840 175.389 176.094 0.225 0.000 1.181 698 V CA -1.288 61.088 62.300 0.127 0.000 1.047 698 V CB 2.429 34.287 31.823 0.059 0.000 1.068 698 V HN -0.061 nan 8.190 nan 0.000 0.441 699 E N 1.210 121.577 120.200 0.277 0.000 2.134 699 E HA 0.471 4.821 4.350 -0.000 0.000 0.278 699 E C -1.908 175.058 176.600 0.610 0.000 0.959 699 E CA -0.378 56.254 56.400 0.388 0.000 0.783 699 E CB 1.916 31.773 29.700 0.262 0.000 1.095 699 E HN 0.688 nan 8.360 nan 0.000 0.399 700 Y N 3.402 123.969 120.300 0.446 0.000 2.429 700 Y HA 0.471 5.021 4.550 -0.000 0.000 0.342 700 Y C -1.523 174.472 175.900 0.159 0.000 1.004 700 Y CA -1.203 57.103 58.100 0.343 0.000 1.075 700 Y CB 1.075 39.775 38.460 0.400 0.000 1.214 700 Y HN 0.427 nan 8.280 nan 0.000 0.455 701 L N 7.867 128.786 121.223 -0.505 0.000 2.372 701 L HA 0.492 4.832 4.340 -0.000 0.000 0.274 701 L C -1.949 174.447 176.870 -0.791 0.000 0.988 701 L CA -1.120 53.279 54.840 -0.735 0.000 0.833 701 L CB 1.504 42.808 42.059 -1.258 0.000 1.236 701 L HN 0.714 nan 8.230 nan 0.000 0.410 702 L N 6.721 127.576 121.223 -0.613 0.000 2.305 702 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 702 L C -0.945 175.791 176.870 -0.223 0.000 1.013 702 L CA -0.033 54.510 54.840 -0.495 0.000 0.819 702 L CB 1.373 43.188 42.059 -0.408 0.000 1.227 702 L HN 0.403 nan 8.230 nan 0.000 0.417 703 I N 4.765 125.213 120.570 -0.203 0.000 2.569 703 I HA 0.508 4.678 4.170 -0.000 0.000 0.296 703 I C -0.917 175.177 176.117 -0.039 0.000 1.028 703 I CA -0.793 60.441 61.300 -0.110 0.000 1.082 703 I CB 1.828 39.719 38.000 -0.182 0.000 1.264 703 I HN 0.573 nan 8.210 nan 0.000 0.429 704 H N 2.580 121.694 119.070 0.074 0.000 3.112 704 H HA 0.365 4.921 4.556 -0.000 0.000 0.347 704 H C -0.841 174.699 175.328 0.352 0.000 1.188 704 H CA -0.530 55.616 56.048 0.163 0.000 1.240 704 H CB 2.465 32.304 29.762 0.128 0.000 1.920 704 H HN 0.779 nan 8.280 nan 0.000 0.535 705 G N 0.937 110.075 108.800 0.563 0.000 2.372 705 G HA2 0.251 4.211 3.960 -0.000 0.000 0.283 705 G HA3 0.251 4.211 3.960 -0.000 0.000 0.283 705 G C 1.117 176.248 174.900 0.384 0.000 1.177 705 G CA 0.183 45.550 45.100 0.445 0.000 0.842 705 G HN 0.642 nan 8.290 nan 0.000 0.503 706 T N -0.680 113.943 114.554 0.114 0.000 2.962 706 T HA 0.053 4.403 4.350 -0.000 0.000 0.270 706 T C 1.712 176.345 174.700 -0.112 0.000 1.088 706 T CA 1.305 63.268 62.100 -0.228 0.000 1.127 706 T CB 0.134 68.781 68.868 -0.367 0.000 0.883 706 T HN 0.676 nan 8.240 nan 0.000 0.493 707 A N 0.988 123.835 122.820 0.044 0.000 2.577 707 A HA 0.302 4.622 4.320 -0.000 0.000 0.280 707 A C 0.420 177.967 177.584 -0.062 0.000 1.331 707 A CA -0.507 51.551 52.037 0.035 0.000 0.935 707 A CB -0.307 18.989 19.000 0.495 0.000 1.082 707 A HN 0.385 nan 8.150 nan 0.000 0.525 708 D N 1.532 121.906 120.400 -0.044 0.000 2.346 708 D HA -0.002 4.638 4.640 -0.000 0.000 0.260 708 D C 0.308 176.570 176.300 -0.064 0.000 1.252 708 D CA 0.134 54.211 54.000 0.128 0.000 0.895 708 D CB 0.713 41.742 40.800 0.381 0.000 1.097 708 D HN 0.555 nan 8.370 nan 0.000 0.489 709 D N 2.330 122.756 120.400 0.043 0.000 2.349 709 D HA -0.126 4.514 4.640 -0.000 0.000 0.215 709 D C 0.891 177.155 176.300 -0.059 0.000 1.016 709 D CA -0.057 53.920 54.000 -0.037 0.000 0.870 709 D CB 0.449 41.169 40.800 -0.133 0.000 0.917 709 D HN 0.225 nan 8.370 nan 0.000 0.524 710 N N 0.725 119.479 118.700 0.089 0.000 2.523 710 N HA -0.041 4.699 4.740 -0.000 0.000 0.209 710 N C -0.124 175.338 175.510 -0.080 0.000 1.039 710 N CA 0.491 53.633 53.050 0.154 0.000 1.002 710 N CB 0.565 39.110 38.487 0.096 0.000 1.270 710 N HN -0.108 nan 8.380 nan 0.000 0.481 711 V N 3.108 122.971 119.914 -0.085 0.000 2.304 711 V HA 0.239 4.359 4.120 -0.000 0.000 0.269 711 V C -0.554 175.577 176.094 0.062 0.000 1.036 711 V CA -0.518 61.777 62.300 -0.008 0.000 0.840 711 V CB -0.231 31.630 31.823 0.063 0.000 1.036 711 V HN 0.285 nan 8.190 nan 0.000 0.466 712 H N 3.229 122.271 119.070 -0.045 0.000 2.972 712 H HA -0.032 4.524 4.556 0.000 0.000 0.343 712 H C 0.819 175.987 175.328 -0.267 0.000 1.054 712 H CA 0.014 55.950 56.048 -0.187 0.000 1.412 712 H CB 0.751 30.324 29.762 -0.315 0.000 1.385 712 H HN 0.634 nan 8.280 nan 0.000 0.600 713 F N 2.128 121.853 119.950 -0.374 0.000 2.192 713 F HA -0.300 4.227 4.527 -0.000 0.000 0.301 713 F C 2.560 178.069 175.800 -0.486 0.000 1.079 713 F CA 1.806 59.382 58.000 -0.707 0.000 1.303 713 F CB -0.218 38.553 39.000 -0.381 0.000 1.024 713 F HN 0.666 nan 8.300 nan 0.000 0.494 714 Q N 0.167 119.801 119.800 -0.278 0.000 2.197 714 Q HA -0.309 4.031 4.340 -0.000 0.000 0.211 714 Q C 2.053 177.788 176.000 -0.442 0.000 0.993 714 Q CA 2.241 57.837 55.803 -0.345 0.000 0.883 714 Q CB -0.346 28.183 28.738 -0.349 0.000 0.916 714 Q HN 0.601 nan 8.270 nan 0.000 0.418 715 Q N -0.310 119.279 119.800 -0.351 0.000 2.050 715 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 715 Q C 2.238 178.126 176.000 -0.187 0.000 0.980 715 Q CA 1.767 57.483 55.803 -0.146 0.000 0.840 715 Q CB -0.078 28.663 28.738 0.005 0.000 0.898 715 Q HN 0.343 nan 8.270 nan 0.000 0.424 716 S N 0.652 116.133 115.700 -0.366 0.000 2.414 716 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 716 S C 2.028 176.372 174.600 -0.426 0.000 1.022 716 S CA 0.657 58.660 58.200 -0.329 0.000 0.958 716 S CB -0.049 62.974 63.200 -0.294 0.000 0.797 716 S HN 0.451 nan 8.310 nan 0.000 0.493 717 A N 1.590 124.028 122.820 -0.638 0.000 1.902 717 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 717 A C 2.148 179.612 177.584 -0.201 0.000 1.181 717 A CA 1.172 52.960 52.037 -0.416 0.000 0.623 717 A CB -0.469 18.319 19.000 -0.353 0.000 0.818 717 A HN 0.343 nan 8.150 nan 0.000 0.443 718 Q N -1.055 118.637 119.800 -0.181 0.000 2.119 718 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 718 Q C 2.090 178.052 176.000 -0.064 0.000 0.972 718 Q CA 1.276 57.038 55.803 -0.068 0.000 0.847 718 Q CB -0.477 28.288 28.738 0.046 0.000 0.903 718 Q HN 0.607 nan 8.270 nan 0.000 0.433 719 L N 1.040 122.202 121.223 -0.102 0.000 2.072 719 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 719 L C 2.298 179.039 176.870 -0.215 0.000 1.079 719 L CA 2.293 57.040 54.840 -0.156 0.000 0.752 719 L CB -0.976 40.990 42.059 -0.156 0.000 0.906 719 L HN 0.191 nan 8.230 nan 0.000 0.436 720 S N -0.866 114.740 115.700 -0.156 0.000 2.382 720 S HA -0.276 4.194 4.470 -0.000 0.000 0.228 720 S C 2.122 176.730 174.600 0.012 0.000 1.027 720 S CA 1.373 59.533 58.200 -0.066 0.000 0.991 720 S CB -0.670 62.627 63.200 0.162 0.000 0.823 720 S HN 0.570 nan 8.310 nan 0.000 0.469 721 K N 1.741 122.132 120.400 -0.015 0.000 2.057 721 K HA 0.042 4.362 4.320 -0.000 0.000 0.207 721 K C 2.286 178.876 176.600 -0.016 0.000 1.049 721 K CA 1.137 57.428 56.287 0.007 0.000 0.931 721 K CB -0.649 31.846 32.500 -0.009 0.000 0.714 721 K HN 0.438 nan 8.250 nan 0.000 0.440 722 A N 0.988 123.769 122.820 -0.066 0.000 1.930 722 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 722 A C 2.069 179.588 177.584 -0.108 0.000 1.175 722 A CA 1.179 53.168 52.037 -0.080 0.000 0.627 722 A CB -0.523 18.414 19.000 -0.104 0.000 0.815 722 A HN 0.313 nan 8.150 nan 0.000 0.443 723 L N -0.793 120.309 121.223 -0.201 0.000 2.056 723 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 723 L C 2.519 179.405 176.870 0.026 0.000 1.078 723 L CA 0.878 55.577 54.840 -0.234 0.000 0.749 723 L CB -0.557 41.081 42.059 -0.701 0.000 0.901 723 L HN 0.230 nan 8.230 nan 0.000 0.433 724 V N -0.112 119.880 119.914 0.130 0.000 2.295 724 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 724 V C 2.105 178.251 176.094 0.086 0.000 1.049 724 V CA 1.960 64.366 62.300 0.176 0.000 1.024 724 V CB -0.493 31.426 31.823 0.160 0.000 0.648 724 V HN 0.432 nan 8.190 nan 0.000 0.447 725 D N 0.446 120.873 120.400 0.046 0.000 2.190 725 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 725 D C 1.921 178.238 176.300 0.028 0.000 0.992 725 D CA 1.640 55.657 54.000 0.028 0.000 0.854 725 D CB -0.195 40.611 40.800 0.011 0.000 0.936 725 D HN 0.492 nan 8.370 nan 0.000 0.462 726 A N -0.561 122.273 122.820 0.025 0.000 2.251 726 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 726 A C 1.662 179.277 177.584 0.052 0.000 1.187 726 A CA 0.886 52.940 52.037 0.028 0.000 0.823 726 A CB -0.140 18.866 19.000 0.010 0.000 0.846 726 A HN 0.218 nan 8.150 nan 0.000 0.486 727 G N -0.946 107.896 108.800 0.071 0.000 2.176 727 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.252 727 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.252 727 G C 0.046 175.016 174.900 0.117 0.000 1.024 727 G CA 0.214 45.365 45.100 0.085 0.000 0.755 727 G HN 0.791 nan 8.290 nan 0.000 0.507 728 V N 0.469 120.476 119.914 0.156 0.000 2.432 728 V HA 0.480 4.600 4.120 -0.000 0.000 0.275 728 V C 0.433 176.747 176.094 0.366 0.000 1.043 728 V CA -0.444 61.986 62.300 0.217 0.000 0.925 728 V CB 1.715 33.635 31.823 0.163 0.000 0.985 728 V HN 0.392 nan 8.190 nan 0.000 0.466 729 D N 3.869 124.448 120.400 0.299 0.000 2.255 729 D HA 0.654 5.294 4.640 -0.000 0.000 0.249 729 D C -0.599 175.962 176.300 0.436 0.000 1.078 729 D CA 0.089 54.247 54.000 0.264 0.000 0.896 729 D CB 0.893 41.771 40.800 0.129 0.000 1.194 729 D HN 0.354 nan 8.370 nan 0.000 0.429 730 F N -0.575 119.459 119.950 0.140 0.000 2.877 730 F HA 0.460 4.987 4.527 -0.000 0.000 0.319 730 F C -1.421 174.445 175.800 0.111 0.000 1.174 730 F CA -1.085 57.025 58.000 0.184 0.000 0.903 730 F CB 0.685 39.837 39.000 0.253 0.000 1.357 730 F HN 0.205 nan 8.300 nan 0.000 0.472 731 Q N 0.269 120.144 119.800 0.124 0.000 2.348 731 Q HA 0.720 5.060 4.340 -0.000 0.000 0.271 731 Q C -1.233 174.752 176.000 -0.024 0.000 1.067 731 Q CA -1.084 54.692 55.803 -0.045 0.000 0.839 731 Q CB 2.542 31.308 28.738 0.047 0.000 1.354 731 Q HN 0.812 nan 8.270 nan 0.000 0.447 732 T N 0.870 115.378 114.554 -0.076 0.000 2.883 732 T HA 0.725 5.075 4.350 -0.000 0.000 0.296 732 T C -1.840 172.796 174.700 -0.107 0.000 1.117 732 T CA -0.579 61.501 62.100 -0.033 0.000 1.006 732 T CB 1.326 70.230 68.868 0.059 0.000 1.191 732 T HN 0.522 nan 8.240 nan 0.000 0.508 733 M N 3.386 122.908 119.600 -0.130 0.000 2.265 733 M HA 0.512 4.992 4.480 -0.000 0.000 0.251 733 M C -2.091 174.058 176.300 -0.251 0.000 1.005 733 M CA -0.601 54.486 55.300 -0.356 0.000 0.998 733 M CB 0.886 33.190 32.600 -0.493 0.000 2.070 733 M HN 0.696 nan 8.290 nan 0.000 0.476 734 W N 4.492 125.629 121.300 -0.271 0.000 2.375 734 W HA 0.744 5.404 4.660 0.000 0.000 0.336 734 W C -1.982 174.263 176.519 -0.455 0.000 1.160 734 W CA -0.729 56.528 57.345 -0.147 0.000 1.266 734 W CB 0.300 29.721 29.460 -0.065 0.000 1.195 734 W HN 0.610 nan 8.180 nan 0.000 0.599 735 Y N 2.448 122.878 120.300 0.217 0.000 2.376 735 Y HA 0.288 4.838 4.550 -0.000 0.000 0.326 735 Y C 0.393 176.388 175.900 0.158 0.000 0.970 735 Y CA -1.233 56.908 58.100 0.069 0.000 1.248 735 Y CB 1.261 39.731 38.460 0.016 0.000 1.117 735 Y HN 0.432 nan 8.280 nan 0.000 0.476 736 T N 4.581 119.293 114.554 0.264 0.000 2.831 736 T HA -0.010 4.340 4.350 -0.000 0.000 0.291 736 T C 0.194 174.952 174.700 0.095 0.000 0.981 736 T CA 0.596 62.784 62.100 0.146 0.000 1.174 736 T CB -0.086 68.814 68.868 0.054 0.000 0.929 736 T HN 0.690 nan 8.240 nan 0.000 0.532 737 D N 0.727 121.158 120.400 0.051 0.000 3.046 737 D HA -0.125 4.515 4.640 -0.000 0.000 0.210 737 D C 0.284 176.706 176.300 0.203 0.000 1.124 737 D CA 1.147 55.130 54.000 -0.029 0.000 0.986 737 D CB -0.385 40.211 40.800 -0.340 0.000 1.118 737 D HN 0.566 nan 8.370 nan 0.000 0.416 738 E N 0.983 121.316 120.200 0.221 0.000 2.313 738 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 738 E C 0.808 177.581 176.600 0.288 0.000 1.038 738 E CA -0.242 56.307 56.400 0.248 0.000 0.863 738 E CB 1.142 30.975 29.700 0.221 0.000 1.060 738 E HN 0.347 nan 8.360 nan 0.000 0.402 739 D N -0.140 120.441 120.400 0.302 0.000 2.511 739 D HA -0.012 4.628 4.640 -0.000 0.000 0.283 739 D C 1.096 177.614 176.300 0.363 0.000 1.198 739 D CA -0.176 54.026 54.000 0.336 0.000 1.097 739 D CB -0.217 40.804 40.800 0.369 0.000 1.160 739 D HN 0.410 nan 8.370 nan 0.000 0.589 740 H N -1.491 117.746 119.070 0.278 0.000 2.456 740 H HA 0.087 4.643 4.556 0.000 0.000 0.296 740 H C 1.886 177.435 175.328 0.369 0.000 1.079 740 H CA 2.139 58.367 56.048 0.300 0.000 1.322 740 H CB -0.406 29.512 29.762 0.261 0.000 1.388 740 H HN 0.493 nan 8.280 nan 0.000 0.538 741 G N -0.367 108.573 108.800 0.232 0.000 2.683 741 G HA2 0.018 3.978 3.960 -0.000 0.000 0.213 741 G HA3 0.018 3.978 3.960 -0.000 0.000 0.213 741 G C 0.620 175.679 174.900 0.265 0.000 1.142 741 G CA 0.265 45.425 45.100 0.101 0.000 0.793 741 G HN 0.512 nan 8.290 nan 0.000 0.534 742 I N 0.036 120.779 120.570 0.288 0.000 6.313 742 I HA -0.320 3.850 4.170 -0.000 0.000 0.126 742 I C 1.459 177.683 176.117 0.177 0.000 1.598 742 I CA 0.197 61.621 61.300 0.206 0.000 2.457 742 I CB -1.145 36.961 38.000 0.178 0.000 3.027 742 I HN 0.271 nan 8.210 nan 0.000 0.280 743 A N 1.268 124.168 122.820 0.133 0.000 2.430 743 A HA 0.306 4.626 4.320 -0.000 0.000 0.243 743 A C 1.124 178.739 177.584 0.051 0.000 1.254 743 A CA 0.538 52.618 52.037 0.071 0.000 0.914 743 A CB 0.168 19.176 19.000 0.013 0.000 0.998 743 A HN 0.633 nan 8.150 nan 0.000 0.515 744 S N -0.308 115.439 115.700 0.078 0.000 2.579 744 S HA 0.067 4.537 4.470 -0.000 0.000 0.275 744 S C 0.786 175.427 174.600 0.067 0.000 1.345 744 S CA 0.288 58.528 58.200 0.067 0.000 1.031 744 S CB 0.112 63.361 63.200 0.081 0.000 0.892 744 S HN 0.510 nan 8.310 nan 0.000 0.529 745 N N 1.610 120.339 118.700 0.049 0.000 2.037 745 N HA -0.207 4.532 4.740 -0.000 0.000 0.196 745 N C 2.051 177.611 175.510 0.084 0.000 1.034 745 N CA 2.032 55.116 53.050 0.058 0.000 0.861 745 N CB -0.404 38.101 38.487 0.030 0.000 1.039 745 N HN 0.806 nan 8.380 nan 0.000 0.427 746 M N 0.129 119.768 119.600 0.065 0.000 2.175 746 M HA 0.103 4.583 4.480 -0.000 0.000 0.264 746 M C 2.165 178.510 176.300 0.074 0.000 1.063 746 M CA 1.436 56.777 55.300 0.067 0.000 1.119 746 M CB -0.818 31.816 32.600 0.056 0.000 1.377 746 M HN 0.038 nan 8.290 nan 0.000 0.415 747 A N 0.512 123.357 122.820 0.042 0.000 1.898 747 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 747 A C 2.052 179.583 177.584 -0.089 0.000 1.181 747 A CA 2.094 54.086 52.037 -0.074 0.000 0.620 747 A CB -1.310 17.624 19.000 -0.110 0.000 0.819 747 A HN 0.729 nan 8.150 nan 0.000 0.442 748 H N -0.020 119.022 119.070 -0.047 0.000 2.319 748 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 748 H C 2.099 177.473 175.328 0.076 0.000 1.092 748 H CA 2.409 58.481 56.048 0.040 0.000 1.302 748 H CB -0.231 29.554 29.762 0.039 0.000 1.373 748 H HN 0.589 nan 8.280 nan 0.000 0.497 749 Q N -1.114 118.662 119.800 -0.041 0.000 2.119 749 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 749 Q C 2.222 178.173 176.000 -0.081 0.000 0.972 749 Q CA 1.233 56.973 55.803 -0.106 0.000 0.847 749 Q CB -0.171 28.547 28.738 -0.032 0.000 0.903 749 Q HN 0.638 nan 8.270 nan 0.000 0.433 750 H N 0.769 119.782 119.070 -0.095 0.000 2.326 750 H HA -0.079 4.477 4.556 0.000 0.000 0.301 750 H C 2.064 177.346 175.328 -0.077 0.000 1.081 750 H CA 1.333 57.353 56.048 -0.047 0.000 1.334 750 H CB -0.013 29.780 29.762 0.052 0.000 1.385 750 H HN 0.267 nan 8.280 nan 0.000 0.504 751 I N 0.129 120.619 120.570 -0.134 0.000 2.179 751 I HA -0.338 3.832 4.170 -0.000 0.000 0.242 751 I C 1.857 177.708 176.117 -0.442 0.000 1.088 751 I CA 1.337 62.474 61.300 -0.272 0.000 1.357 751 I CB -0.285 37.384 38.000 -0.551 0.000 1.051 751 I HN 0.144 nan 8.210 nan 0.000 0.409 752 Y N 1.010 121.066 120.300 -0.407 0.000 2.293 752 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 752 Y C 2.725 178.375 175.900 -0.417 0.000 1.137 752 Y CA 1.903 59.639 58.100 -0.606 0.000 1.202 752 Y CB -0.884 37.236 38.460 -0.567 0.000 0.990 752 Y HN 0.183 nan 8.280 nan 0.000 0.537 753 T N -1.831 112.589 114.554 -0.223 0.000 2.777 753 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 753 T C 1.547 175.982 174.700 -0.442 0.000 1.040 753 T CA 1.767 63.668 62.100 -0.332 0.000 1.141 753 T CB -0.411 68.246 68.868 -0.352 0.000 0.868 753 T HN 0.410 nan 8.240 nan 0.000 0.444 754 H N 0.978 119.823 119.070 -0.377 0.000 2.357 754 H HA 0.129 4.685 4.556 0.000 0.000 0.301 754 H C 2.139 177.399 175.328 -0.113 0.000 1.082 754 H CA 1.476 57.391 56.048 -0.222 0.000 1.342 754 H CB -0.223 29.468 29.762 -0.119 0.000 1.389 754 H HN 0.254 nan 8.280 nan 0.000 0.511 755 M N -0.913 118.597 119.600 -0.150 0.000 2.175 755 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 755 M C 2.389 178.796 176.300 0.179 0.000 1.063 755 M CA 1.317 56.552 55.300 -0.108 0.000 1.119 755 M CB 0.030 32.336 32.600 -0.491 0.000 1.377 755 M HN 0.171 nan 8.290 nan 0.000 0.415 756 S N -0.485 115.342 115.700 0.211 0.000 2.368 756 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 756 S C 1.704 176.461 174.600 0.261 0.000 1.030 756 S CA 1.130 59.575 58.200 0.408 0.000 0.999 756 S CB -0.508 62.925 63.200 0.388 0.000 0.844 756 S HN 0.456 nan 8.310 nan 0.000 0.459 757 H N 0.128 119.251 119.070 0.089 0.000 2.321 757 H HA -0.009 4.547 4.556 -0.000 0.000 0.300 757 H C 1.895 177.220 175.328 -0.004 0.000 1.087 757 H CA 1.158 57.211 56.048 0.009 0.000 1.319 757 H CB -0.958 28.755 29.762 -0.082 0.000 1.379 757 H HN 0.437 nan 8.280 nan 0.000 0.501 758 F N 0.970 120.904 119.950 -0.025 0.000 2.069 758 F HA -0.200 4.327 4.527 0.000 0.000 0.298 758 F C 2.519 178.274 175.800 -0.075 0.000 1.113 758 F CA 1.145 59.102 58.000 -0.072 0.000 1.214 758 F CB -0.584 38.356 39.000 -0.100 0.000 0.978 758 F HN 0.044 nan 8.300 nan 0.000 0.474 759 L N 0.198 121.456 121.223 0.058 0.000 2.046 759 L HA -0.256 4.083 4.340 -0.000 0.000 0.208 759 L C 2.420 179.077 176.870 -0.354 0.000 1.077 759 L CA 1.829 56.520 54.840 -0.247 0.000 0.747 759 L CB -0.556 41.443 42.059 -0.100 0.000 0.896 759 L HN 0.210 nan 8.230 nan 0.000 0.432 760 K N -0.924 119.429 120.400 -0.078 0.000 2.097 760 K HA -0.189 4.131 4.320 -0.000 0.000 0.206 760 K C 2.089 178.674 176.600 -0.025 0.000 1.049 760 K CA 1.038 57.334 56.287 0.015 0.000 0.933 760 K CB -0.011 32.553 32.500 0.107 0.000 0.717 760 K HN 0.378 nan 8.250 nan 0.000 0.442 761 Q N 0.289 120.025 119.800 -0.106 0.000 2.079 761 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 761 Q C 2.450 178.356 176.000 -0.156 0.000 0.974 761 Q CA 1.183 56.911 55.803 -0.126 0.000 0.840 761 Q CB -0.699 27.936 28.738 -0.172 0.000 0.898 761 Q HN 0.407 nan 8.270 nan 0.000 0.430 762 c N 0.288 118.694 118.600 -0.323 0.000 2.413 762 c HA -0.121 4.449 4.570 -0.000 0.000 0.277 762 c C 2.095 176.226 174.090 0.068 0.000 1.265 762 c CA 0.450 56.620 56.329 -0.266 0.000 1.752 762 c CB -1.015 41.189 42.510 -0.511 0.000 1.998 762 c HN 0.342 nan 8.230 nan 0.000 0.489 763 F N 1.456 121.374 119.950 -0.054 0.000 2.765 763 F HA 0.255 4.782 4.527 0.000 0.000 0.302 763 F C 1.674 177.462 175.800 -0.019 0.000 1.111 763 F CA 0.406 58.395 58.000 -0.018 0.000 1.359 763 F CB -1.231 37.769 39.000 0.000 0.000 1.097 763 F HN 0.209 nan 8.300 nan 0.000 0.577 764 S N 0.926 116.711 115.700 0.141 0.000 3.682 764 S HA -0.194 4.276 4.470 -0.000 0.000 0.354 764 S C 0.073 174.716 174.600 0.073 0.000 1.034 764 S CA 0.134 58.377 58.200 0.071 0.000 1.084 764 S CB -2.003 61.228 63.200 0.052 0.000 0.903 764 S HN 0.221 nan 8.310 nan 0.000 0.470 765 L N 1.716 122.996 121.223 0.096 0.000 2.343 765 L HA 0.580 4.920 4.340 -0.000 0.000 0.275 765 L C -1.184 175.724 176.870 0.063 0.000 1.056 765 L CA -1.861 53.031 54.840 0.087 0.000 0.804 765 L CB 0.638 42.773 42.059 0.127 0.000 1.203 765 L HN 0.074 nan 8.230 nan 0.000 0.440 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.128 63.100 0.047 0.000 0.800 766 P CB 0.000 31.721 31.700 0.035 0.000 0.726