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 2qtb_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.740 174.700 0.067 0.000 1.109 39 T CA 0.000 62.134 62.100 0.056 0.000 1.349 39 T CB 0.000 68.902 68.868 0.056 0.000 0.612 40 R N 2.275 122.822 120.500 0.079 0.000 2.537 40 R HA 0.247 4.584 4.340 -0.004 0.000 0.280 40 R C 0.975 177.328 176.300 0.087 0.000 1.058 40 R CA -0.446 55.703 56.100 0.080 0.000 1.057 40 R CB 0.677 31.024 30.300 0.079 0.000 0.973 40 R HN 0.619 nan 8.270 nan 0.000 0.438 41 K N 0.775 121.230 120.400 0.093 0.000 2.187 41 K HA 0.102 4.419 4.320 -0.004 0.000 0.247 41 K C 0.063 176.731 176.600 0.112 0.000 1.019 41 K CA -0.376 55.973 56.287 0.104 0.000 0.893 41 K CB 0.455 33.025 32.500 0.118 0.000 1.025 41 K HN 0.581 nan 8.250 nan 0.000 0.500 42 T N -2.325 112.304 114.554 0.126 0.000 2.922 42 T HA 0.171 4.519 4.350 -0.004 0.000 0.281 42 T C -0.805 174.024 174.700 0.215 0.000 1.005 42 T CA -0.807 61.378 62.100 0.143 0.000 0.982 42 T CB 0.528 69.473 68.868 0.128 0.000 1.158 42 T HN 0.545 nan 8.240 nan 0.000 0.566 43 Y N 2.502 122.866 120.300 0.107 0.000 2.504 43 Y HA 0.392 4.940 4.550 -0.004 0.000 0.351 43 Y C 0.902 176.959 175.900 0.261 0.000 0.988 43 Y CA -0.485 57.719 58.100 0.174 0.000 1.239 43 Y CB -0.228 38.290 38.460 0.097 0.000 1.128 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 2.263 116.808 114.554 -0.016 0.000 2.824 44 T HA 0.120 4.467 4.350 -0.004 0.000 0.277 44 T C 1.010 175.579 174.700 -0.217 0.000 0.975 44 T CA -0.684 61.441 62.100 0.042 0.000 0.966 44 T CB 1.172 70.037 68.868 -0.005 0.000 1.054 44 T HN 0.686 nan 8.240 nan 0.000 0.533 45 L N 0.977 121.895 121.223 -0.509 0.000 2.046 45 L HA 0.022 4.360 4.340 -0.004 0.000 0.208 45 L C 2.621 179.319 176.870 -0.287 0.000 1.077 45 L CA 2.113 56.520 54.840 -0.721 0.000 0.747 45 L CB -1.456 40.070 42.059 -0.887 0.000 0.896 45 L HN 0.954 nan 8.230 nan 0.000 0.432 46 T N -0.665 113.757 114.554 -0.221 0.000 2.833 46 T HA -0.148 4.200 4.350 -0.004 0.000 0.269 46 T C 1.481 176.083 174.700 -0.163 0.000 1.054 46 T CA 1.352 63.360 62.100 -0.154 0.000 1.135 46 T CB -0.366 68.437 68.868 -0.109 0.000 0.869 46 T HN 0.390 nan 8.240 nan 0.000 0.466 47 D N 0.155 120.418 120.400 -0.228 0.000 2.117 47 D HA -0.083 4.555 4.640 -0.004 0.000 0.197 47 D C 1.737 177.934 176.300 -0.171 0.000 0.987 47 D CA 1.005 54.842 54.000 -0.273 0.000 0.829 47 D CB -0.335 40.188 40.800 -0.462 0.000 0.961 47 D HN 0.408 nan 8.370 nan 0.000 0.460 48 Y N 1.620 121.728 120.300 -0.319 0.000 2.133 48 Y HA -0.100 4.448 4.550 -0.004 0.000 0.287 48 Y C 2.198 178.104 175.900 0.010 0.000 1.134 48 Y CA 1.263 59.355 58.100 -0.013 0.000 1.133 48 Y CB -0.653 37.852 38.460 0.076 0.000 0.987 48 Y HN -0.111 nan 8.280 nan 0.000 0.502 49 L N -0.001 121.059 121.223 -0.272 0.000 2.131 49 L HA -0.169 4.169 4.340 -0.004 0.000 0.210 49 L C 1.924 178.697 176.870 -0.162 0.000 1.092 49 L CA 1.281 55.942 54.840 -0.298 0.000 0.759 49 L CB -0.502 41.439 42.059 -0.197 0.000 0.903 49 L HN 0.102 nan 8.230 nan 0.000 0.435 50 K N -0.259 120.065 120.400 -0.126 0.000 2.374 50 K HA 0.048 4.366 4.320 -0.004 0.000 0.196 50 K C 0.351 176.905 176.600 -0.076 0.000 1.023 50 K CA -0.034 56.198 56.287 -0.091 0.000 1.103 50 K CB -0.326 32.119 32.500 -0.091 0.000 0.848 50 K HN 0.291 nan 8.250 nan 0.000 0.528 51 N N 1.828 120.493 118.700 -0.058 0.000 2.740 51 N HA -0.218 4.520 4.740 -0.004 0.000 0.248 51 N C 0.672 176.169 175.510 -0.022 0.000 1.062 51 N CA 0.630 53.684 53.050 0.007 0.000 0.704 51 N CB -0.531 37.953 38.487 -0.006 0.000 0.968 51 N HN 0.371 nan 8.380 nan 0.000 0.547 52 T N -2.458 112.028 114.554 -0.114 0.000 2.867 52 T HA -0.137 4.211 4.350 -0.004 0.000 0.268 52 T C 0.647 175.150 174.700 -0.328 0.000 1.057 52 T CA 1.093 63.023 62.100 -0.282 0.000 1.136 52 T CB -0.195 68.383 68.868 -0.484 0.000 0.874 52 T HN 0.333 nan 8.240 nan 0.000 0.466 53 Y N 2.108 122.503 120.300 0.159 0.000 2.700 53 Y HA 0.587 5.135 4.550 -0.004 0.000 0.333 53 Y C 0.550 176.554 175.900 0.172 0.000 1.036 53 Y CA -1.558 56.654 58.100 0.187 0.000 1.287 53 Y CB 0.279 38.908 38.460 0.282 0.000 1.132 53 Y HN 0.072 nan 8.280 nan 0.000 0.510 54 R N 2.316 122.942 120.500 0.210 0.000 2.340 54 R HA 0.384 4.722 4.340 -0.004 0.000 0.300 54 R C -1.080 175.326 176.300 0.175 0.000 1.069 54 R CA -0.626 55.571 56.100 0.162 0.000 0.984 54 R CB 0.395 30.750 30.300 0.092 0.000 1.003 54 R HN 0.543 nan 8.270 nan 0.000 0.459 55 L N 4.462 125.791 121.223 0.176 0.000 2.281 55 L HA 0.307 4.645 4.340 -0.004 0.000 0.285 55 L C -0.448 176.502 176.870 0.134 0.000 1.074 55 L CA 0.311 55.258 54.840 0.178 0.000 0.817 55 L CB 0.859 43.045 42.059 0.212 0.000 1.168 55 L HN 0.582 nan 8.230 nan 0.000 0.434 56 K N 4.717 125.191 120.400 0.123 0.000 2.098 56 K HA 0.672 4.990 4.320 -0.004 0.000 0.261 56 K C -0.869 175.775 176.600 0.073 0.000 0.987 56 K CA -0.612 55.724 56.287 0.082 0.000 0.916 56 K CB 1.324 33.866 32.500 0.071 0.000 1.039 56 K HN 0.501 nan 8.250 nan 0.000 0.455 57 L N -1.061 120.123 121.223 -0.064 0.000 2.251 57 L HA 0.561 4.899 4.340 -0.004 0.000 0.244 57 L C -1.177 175.392 176.870 -0.502 0.000 1.095 57 L CA -0.993 53.621 54.840 -0.377 0.000 0.910 57 L CB 0.505 42.495 42.059 -0.114 0.000 1.516 57 L HN 0.504 nan 8.230 nan 0.000 0.429 58 Y N 0.037 119.739 120.300 -0.998 0.000 2.563 58 Y HA 0.613 5.161 4.550 -0.004 0.000 0.351 58 Y C -0.866 174.866 175.900 -0.280 0.000 1.087 58 Y CA -0.433 57.341 58.100 -0.543 0.000 1.272 58 Y CB 1.256 39.282 38.460 -0.724 0.000 1.095 58 Y HN 0.635 nan 8.280 nan 0.000 0.620 59 S N 6.024 121.675 115.700 -0.083 0.000 2.416 59 S HA 0.532 5.000 4.470 -0.004 0.000 0.287 59 S C -0.588 174.011 174.600 -0.001 0.000 1.139 59 S CA -0.525 57.663 58.200 -0.021 0.000 1.058 59 S CB -0.078 63.106 63.200 -0.027 0.000 0.967 59 S HN 0.567 nan 8.310 nan 0.000 0.495 60 L N 1.542 122.723 121.223 -0.069 0.000 2.303 60 L HA 0.798 5.136 4.340 -0.004 0.000 0.266 60 L C -0.363 176.419 176.870 -0.147 0.000 1.011 60 L CA -0.950 53.804 54.840 -0.143 0.000 0.818 60 L CB 0.984 42.658 42.059 -0.641 0.000 1.326 60 L HN 0.354 nan 8.230 nan 0.000 0.435 61 R N 0.736 121.185 120.500 -0.084 0.000 2.451 61 R HA 0.378 4.715 4.340 -0.004 0.000 0.307 61 R C -1.740 174.580 176.300 0.034 0.000 0.965 61 R CA -0.298 55.798 56.100 -0.006 0.000 0.865 61 R CB 1.221 31.549 30.300 0.047 0.000 1.174 61 R HN 0.677 nan 8.270 nan 0.000 0.455 62 W N 4.248 125.644 121.300 0.160 0.000 2.253 62 W HA 0.137 4.795 4.660 -0.003 0.000 0.322 62 W C 1.538 178.132 176.519 0.125 0.000 1.342 62 W CA -0.375 57.077 57.345 0.178 0.000 1.218 62 W CB 0.512 30.073 29.460 0.169 0.000 1.205 62 W HN 0.654 nan 8.180 nan 0.000 0.551 63 I N 0.260 121.039 120.570 0.348 0.000 4.227 63 I HA 0.336 4.504 4.170 -0.004 0.000 0.334 63 I C 0.570 176.782 176.117 0.158 0.000 1.341 63 I CA -0.104 61.309 61.300 0.187 0.000 1.123 63 I CB -0.055 37.995 38.000 0.083 0.000 1.097 63 I HN 0.259 nan 8.210 nan 0.000 0.399 64 S N -0.623 115.201 115.700 0.207 0.000 2.755 64 S HA 0.260 4.728 4.470 -0.004 0.000 0.286 64 S C -0.168 174.504 174.600 0.119 0.000 1.207 64 S CA -0.186 58.069 58.200 0.090 0.000 0.892 64 S CB 1.186 64.339 63.200 -0.078 0.000 1.240 64 S HN 0.048 nan 8.310 nan 0.000 0.525 65 D N 0.150 120.588 120.400 0.063 0.000 2.363 65 D HA 0.104 4.742 4.640 -0.004 0.000 0.220 65 D C 0.998 177.521 176.300 0.372 0.000 0.994 65 D CA 1.344 55.444 54.000 0.166 0.000 0.890 65 D CB -0.041 40.901 40.800 0.236 0.000 0.906 65 D HN 0.652 nan 8.370 nan 0.000 0.530 66 H N -2.474 116.812 119.070 0.359 0.000 3.394 66 H HA 0.402 4.955 4.556 -0.004 0.000 0.256 66 H C -0.434 175.114 175.328 0.366 0.000 1.180 66 H CA -0.359 55.950 56.048 0.436 0.000 1.064 66 H CB -0.186 29.814 29.762 0.396 0.000 1.854 66 H HN 0.029 nan 8.280 nan 0.000 0.731 67 E N 1.178 121.545 120.200 0.278 0.000 2.317 67 E HA 0.418 4.765 4.350 -0.004 0.000 0.270 67 E C -1.553 175.226 176.600 0.297 0.000 0.885 67 E CA -1.161 55.350 56.400 0.185 0.000 0.760 67 E CB 3.156 32.881 29.700 0.042 0.000 1.227 67 E HN 0.276 nan 8.360 nan 0.000 0.434 68 Y N -0.463 119.863 120.300 0.043 0.000 2.562 68 Y HA 0.606 5.154 4.550 -0.004 0.000 0.345 68 Y C -1.604 174.291 175.900 -0.009 0.000 1.045 68 Y CA -1.292 56.733 58.100 -0.125 0.000 1.028 68 Y CB 0.796 38.860 38.460 -0.661 0.000 1.297 68 Y HN 0.329 nan 8.280 nan 0.000 0.463 69 L N 3.275 124.622 121.223 0.206 0.000 2.343 69 L HA 0.520 4.858 4.340 -0.004 0.000 0.275 69 L C -1.244 175.845 176.870 0.366 0.000 1.056 69 L CA -0.989 53.947 54.840 0.159 0.000 0.804 69 L CB 1.438 43.492 42.059 -0.008 0.000 1.203 69 L HN 0.787 nan 8.230 nan 0.000 0.440 70 Y N 1.881 122.295 120.300 0.190 0.000 2.441 70 Y HA 0.315 4.863 4.550 -0.004 0.000 0.334 70 Y C -0.907 175.033 175.900 0.066 0.000 1.061 70 Y CA -1.211 56.953 58.100 0.108 0.000 1.032 70 Y CB 1.603 40.161 38.460 0.163 0.000 1.266 70 Y HN 0.408 nan 8.280 nan 0.000 0.441 71 K N 5.022 125.041 120.400 -0.635 0.000 2.285 71 K HA 0.278 4.596 4.320 -0.004 0.000 0.286 71 K C -1.006 175.220 176.600 -0.624 0.000 1.072 71 K CA -0.451 55.555 56.287 -0.469 0.000 0.913 71 K CB 1.105 33.422 32.500 -0.306 0.000 1.067 71 K HN 0.721 nan 8.250 nan 0.000 0.479 72 Q N 2.552 122.192 119.800 -0.267 0.000 2.285 72 Q HA 0.097 4.434 4.340 -0.004 0.000 0.269 72 Q C -1.111 174.850 176.000 -0.066 0.000 1.030 72 Q CA -0.236 55.491 55.803 -0.126 0.000 0.788 72 Q CB 1.195 29.984 28.738 0.084 0.000 1.266 72 Q HN 0.641 nan 8.270 nan 0.000 0.438 73 E N 2.734 122.900 120.200 -0.058 0.000 2.868 73 E HA -0.367 3.981 4.350 -0.004 0.000 0.278 73 E C -0.115 176.451 176.600 -0.056 0.000 1.009 73 E CA 0.848 57.223 56.400 -0.041 0.000 0.856 73 E CB -1.527 28.160 29.700 -0.022 0.000 1.428 73 E HN 1.050 nan 8.360 nan 0.000 0.423 74 N N -0.582 118.071 118.700 -0.079 0.000 2.936 74 N HA -0.197 4.541 4.740 -0.004 0.000 0.236 74 N C -0.658 174.803 175.510 -0.083 0.000 0.930 74 N CA 1.049 54.053 53.050 -0.078 0.000 0.966 74 N CB -0.316 38.139 38.487 -0.055 0.000 1.090 74 N HN 0.534 nan 8.380 nan 0.000 0.592 75 N N 0.829 119.479 118.700 -0.085 0.000 2.404 75 N HA 0.402 5.140 4.740 -0.004 0.000 0.297 75 N C -0.566 174.888 175.510 -0.093 0.000 1.163 75 N CA -0.426 52.574 53.050 -0.083 0.000 0.864 75 N CB 1.282 39.731 38.487 -0.064 0.000 1.247 75 N HN 0.101 nan 8.380 nan 0.000 0.510 76 I N 1.355 121.871 120.570 -0.090 0.000 2.312 76 I HA 0.147 4.315 4.170 -0.004 0.000 0.291 76 I C -0.454 175.680 176.117 0.028 0.000 1.031 76 I CA -0.650 60.603 61.300 -0.079 0.000 1.293 76 I CB 0.627 38.520 38.000 -0.179 0.000 1.403 76 I HN 0.193 nan 8.210 nan 0.000 0.484 77 L N 7.258 128.507 121.223 0.044 0.000 2.344 77 L HA 0.511 4.848 4.340 -0.004 0.000 0.272 77 L C -0.210 176.687 176.870 0.045 0.000 1.035 77 L CA -0.597 54.260 54.840 0.030 0.000 0.807 77 L CB 1.782 43.834 42.059 -0.012 0.000 1.237 77 L HN 0.279 nan 8.230 nan 0.000 0.442 78 V N 3.087 122.971 119.914 -0.051 0.000 2.409 78 V HA 0.537 4.655 4.120 -0.004 0.000 0.291 78 V C -0.908 175.036 176.094 -0.250 0.000 1.020 78 V CA -0.322 61.948 62.300 -0.050 0.000 0.848 78 V CB 1.008 32.896 31.823 0.109 0.000 0.990 78 V HN 0.496 nan 8.190 nan 0.000 0.430 79 F N 5.283 124.976 119.950 -0.428 0.000 2.458 79 F HA 0.493 5.018 4.527 -0.004 0.000 0.330 79 F C 0.627 176.169 175.800 -0.431 0.000 1.082 79 F CA -0.456 57.221 58.000 -0.539 0.000 0.995 79 F CB 1.560 39.921 39.000 -1.064 0.000 1.170 79 F HN 0.503 nan 8.300 nan 0.000 0.478 80 N N 2.055 120.740 118.700 -0.025 0.000 2.439 80 N HA 0.218 4.956 4.740 -0.004 0.000 0.249 80 N C 0.516 176.013 175.510 -0.021 0.000 1.003 80 N CA 0.093 53.164 53.050 0.035 0.000 0.942 80 N CB 1.667 40.233 38.487 0.131 0.000 1.115 80 N HN 0.820 nan 8.380 nan 0.000 0.505 81 A N 4.051 126.828 122.820 -0.072 0.000 1.917 81 A HA -0.201 4.117 4.320 -0.004 0.000 0.219 81 A C 1.880 179.196 177.584 -0.447 0.000 1.182 81 A CA 1.571 53.470 52.037 -0.230 0.000 0.633 81 A CB -0.538 18.211 19.000 -0.418 0.000 0.819 81 A HN 0.873 nan 8.150 nan 0.000 0.448 82 E N -1.816 118.071 120.200 -0.522 0.000 2.110 82 E HA -0.201 4.147 4.350 -0.004 0.000 0.193 82 E C 1.259 177.497 176.600 -0.603 0.000 0.988 82 E CA 1.555 57.615 56.400 -0.568 0.000 0.804 82 E CB -0.113 29.190 29.700 -0.661 0.000 0.745 82 E HN 0.846 nan 8.360 nan 0.000 0.458 83 Y N -2.287 118.003 120.300 -0.016 0.000 2.426 83 Y HA 0.297 4.844 4.550 -0.004 0.000 0.249 83 Y C 1.480 177.387 175.900 0.011 0.000 1.103 83 Y CA -0.006 58.094 58.100 0.001 0.000 1.256 83 Y CB 1.546 40.012 38.460 0.010 0.000 1.208 83 Y HN 0.183 nan 8.280 nan 0.000 0.519 84 G N 1.216 110.096 108.800 0.133 0.000 2.205 84 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.261 84 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.261 84 G C 0.088 175.131 174.900 0.238 0.000 0.980 84 G CA 0.273 45.474 45.100 0.168 0.000 0.632 84 G HN 0.450 nan 8.290 nan 0.000 0.533 85 N N 0.691 119.483 118.700 0.154 0.000 2.467 85 N HA 0.586 5.324 4.740 -0.004 0.000 0.262 85 N C 0.160 175.607 175.510 -0.106 0.000 1.234 85 N CA 0.783 53.858 53.050 0.041 0.000 0.952 85 N CB 1.546 40.050 38.487 0.029 0.000 1.158 85 N HN 0.990 nan 8.380 nan 0.000 0.463 86 S N -0.599 114.936 115.700 -0.276 0.000 2.776 86 S HA 0.766 5.234 4.470 -0.004 0.000 0.292 86 S C -0.983 173.437 174.600 -0.299 0.000 1.187 86 S CA -0.809 57.096 58.200 -0.490 0.000 0.834 86 S CB 1.414 63.850 63.200 -1.274 0.000 1.199 86 S HN 0.671 nan 8.310 nan 0.000 0.514 87 S N -0.415 115.119 115.700 -0.277 0.000 2.596 87 S HA 0.578 5.046 4.470 -0.004 0.000 0.270 87 S C -1.230 173.298 174.600 -0.121 0.000 1.155 87 S CA -0.744 57.362 58.200 -0.156 0.000 0.827 87 S CB 1.566 64.709 63.200 -0.095 0.000 1.130 87 S HN 0.800 nan 8.310 nan 0.000 0.467 88 V N 2.860 122.723 119.914 -0.085 0.000 2.470 88 V HA 0.202 4.319 4.120 -0.004 0.000 0.276 88 V C 0.499 176.586 176.094 -0.012 0.000 1.040 88 V CA 0.193 62.463 62.300 -0.050 0.000 1.008 88 V CB 0.045 31.828 31.823 -0.067 0.000 0.990 88 V HN 0.924 nan 8.190 nan 0.000 0.477 89 F N 5.329 125.217 119.950 -0.103 0.000 2.220 89 F HA 0.334 4.859 4.527 -0.004 0.000 0.290 89 F C 0.565 176.312 175.800 -0.089 0.000 1.080 89 F CA 0.900 58.851 58.000 -0.082 0.000 1.318 89 F CB 0.516 39.479 39.000 -0.062 0.000 1.063 89 F HN 0.331 nan 8.300 nan 0.000 0.498 90 L N 1.207 122.501 121.223 0.117 0.000 2.491 90 L HA 0.295 4.633 4.340 -0.004 0.000 0.267 90 L C -0.910 175.916 176.870 -0.072 0.000 0.971 90 L CA -0.632 54.200 54.840 -0.014 0.000 0.857 90 L CB 1.147 43.245 42.059 0.065 0.000 1.226 90 L HN -0.139 nan 8.230 nan 0.000 0.408 91 E N 1.395 121.520 120.200 -0.124 0.000 2.414 91 E HA 0.002 4.350 4.350 -0.004 0.000 0.263 91 E C 1.124 177.647 176.600 -0.128 0.000 1.000 91 E CA 0.425 56.753 56.400 -0.120 0.000 0.914 91 E CB 0.728 30.349 29.700 -0.132 0.000 0.948 91 E HN 0.573 nan 8.360 nan 0.000 0.444 92 N N 1.381 120.026 118.700 -0.092 0.000 2.334 92 N HA -0.257 4.481 4.740 -0.004 0.000 0.187 92 N C 1.011 176.475 175.510 -0.077 0.000 1.016 92 N CA 1.599 54.604 53.050 -0.074 0.000 0.879 92 N CB -0.281 38.171 38.487 -0.059 0.000 0.965 92 N HN 0.312 nan 8.380 nan 0.000 0.438 93 S N -2.520 113.115 115.700 -0.108 0.000 2.575 93 S HA 0.099 4.566 4.470 -0.004 0.000 0.215 93 S C 1.402 175.881 174.600 -0.202 0.000 0.966 93 S CA 0.036 58.169 58.200 -0.112 0.000 0.911 93 S CB -0.647 62.498 63.200 -0.093 0.000 0.780 93 S HN 0.236 nan 8.310 nan 0.000 0.514 94 T N 1.781 116.129 114.554 -0.344 0.000 2.778 94 T HA -0.032 4.316 4.350 -0.004 0.000 0.269 94 T C 0.135 174.269 174.700 -0.944 0.000 1.050 94 T CA 1.348 63.019 62.100 -0.714 0.000 1.137 94 T CB -0.444 67.787 68.868 -1.062 0.000 0.860 94 T HN 0.618 nan 8.240 nan 0.000 0.468 95 F N 0.515 120.388 119.950 -0.128 0.000 2.881 95 F HA 0.378 4.903 4.527 -0.003 0.000 0.343 95 F C 0.825 176.625 175.800 0.001 0.000 1.233 95 F CA -1.129 56.829 58.000 -0.070 0.000 1.262 95 F CB 0.155 39.034 39.000 -0.202 0.000 0.980 95 F HN -0.090 nan 8.300 nan 0.000 0.506 96 D N 0.799 121.235 120.400 0.059 0.000 2.309 96 D HA -0.105 4.532 4.640 -0.004 0.000 0.212 96 D C 0.915 177.255 176.300 0.066 0.000 0.968 96 D CA 1.303 55.332 54.000 0.049 0.000 0.882 96 D CB 0.105 40.903 40.800 -0.003 0.000 0.918 96 D HN 0.450 nan 8.370 nan 0.000 0.503 97 E N -1.226 119.030 120.200 0.093 0.000 2.887 97 E HA 0.089 4.437 4.350 -0.004 0.000 0.206 97 E C 0.483 177.151 176.600 0.113 0.000 0.983 97 E CA -0.337 56.103 56.400 0.067 0.000 1.141 97 E CB 0.170 29.887 29.700 0.028 0.000 1.061 97 E HN 0.064 nan 8.360 nan 0.000 0.468 98 F N 1.285 121.260 119.950 0.042 0.000 2.269 98 F HA 0.015 4.540 4.527 -0.004 0.000 0.301 98 F C 1.750 177.524 175.800 -0.043 0.000 1.082 98 F CA 1.935 59.963 58.000 0.046 0.000 1.360 98 F CB 0.128 39.161 39.000 0.055 0.000 1.041 98 F HN 0.227 nan 8.300 nan 0.000 0.512 99 G N -0.715 108.007 108.800 -0.129 0.000 2.175 99 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.244 99 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.244 99 G C 0.100 174.638 174.900 -0.603 0.000 0.982 99 G CA 0.255 45.132 45.100 -0.372 0.000 0.641 99 G HN 0.571 nan 8.290 nan 0.000 0.527 100 H N -0.847 118.201 119.070 -0.037 0.000 3.037 100 H HA 0.563 5.117 4.556 -0.003 0.000 0.355 100 H C -0.827 174.587 175.328 0.143 0.000 1.263 100 H CA 0.005 56.077 56.048 0.039 0.000 1.129 100 H CB 1.446 31.135 29.762 -0.122 0.000 1.861 100 H HN 0.160 nan 8.280 nan 0.000 0.546 101 S N 1.678 117.525 115.700 0.245 0.000 2.439 101 S HA 0.301 4.769 4.470 -0.004 0.000 0.282 101 S C 0.200 174.870 174.600 0.116 0.000 1.170 101 S CA -0.698 57.586 58.200 0.141 0.000 1.054 101 S CB -0.610 62.651 63.200 0.102 0.000 0.956 101 S HN 0.337 nan 8.310 nan 0.000 0.490 102 I N 5.581 126.156 120.570 0.009 0.000 2.505 102 I HA 0.079 4.247 4.170 -0.004 0.000 0.287 102 I C 1.489 177.584 176.117 -0.037 0.000 1.104 102 I CA -0.238 61.017 61.300 -0.075 0.000 1.387 102 I CB 0.539 38.373 38.000 -0.276 0.000 1.404 102 I HN 0.706 nan 8.210 nan 0.000 0.528 103 N N 4.090 122.776 118.700 -0.024 0.000 2.300 103 N HA -0.074 4.664 4.740 -0.004 0.000 0.179 103 N C -0.035 175.417 175.510 -0.097 0.000 1.016 103 N CA 1.072 54.071 53.050 -0.086 0.000 0.876 103 N CB 0.377 38.786 38.487 -0.131 0.000 0.979 103 N HN 0.678 nan 8.380 nan 0.000 0.432 104 D N -2.694 117.679 120.400 -0.046 0.000 2.755 104 D HA 0.142 4.780 4.640 -0.004 0.000 0.277 104 D C -1.696 174.649 176.300 0.075 0.000 1.261 104 D CA -0.509 53.485 54.000 -0.011 0.000 0.759 104 D CB 0.580 41.329 40.800 -0.085 0.000 1.279 104 D HN 0.054 nan 8.370 nan 0.000 0.420 105 Y N -1.087 119.203 120.300 -0.015 0.000 2.638 105 Y HA 0.803 5.351 4.550 -0.003 0.000 0.339 105 Y C -1.115 174.846 175.900 0.101 0.000 1.084 105 Y CA -1.008 57.105 58.100 0.021 0.000 1.068 105 Y CB 1.726 40.177 38.460 -0.015 0.000 1.294 105 Y HN 0.174 nan 8.280 nan 0.000 0.480 106 S N 1.517 117.370 115.700 0.256 0.000 2.626 106 S HA 0.617 5.084 4.470 -0.004 0.000 0.275 106 S C -1.868 173.025 174.600 0.488 0.000 1.175 106 S CA -0.446 57.915 58.200 0.268 0.000 0.982 106 S CB 0.354 63.730 63.200 0.293 0.000 1.093 106 S HN 0.599 nan 8.310 nan 0.000 0.472 107 I N 4.271 125.019 120.570 0.296 0.000 2.396 107 I HA 0.346 4.514 4.170 -0.004 0.000 0.292 107 I C 0.943 176.903 176.117 -0.263 0.000 0.999 107 I CA 0.056 61.438 61.300 0.137 0.000 1.310 107 I CB 1.680 39.749 38.000 0.116 0.000 1.404 107 I HN 0.714 nan 8.210 nan 0.000 0.496 108 S N 5.807 121.031 115.700 -0.793 0.000 2.573 108 S HA 0.210 4.678 4.470 -0.004 0.000 0.277 108 S C -1.855 172.456 174.600 -0.482 0.000 1.346 108 S CA -0.779 56.585 58.200 -1.393 0.000 1.034 108 S CB 0.337 62.595 63.200 -1.569 0.000 0.879 108 S HN 0.461 nan 8.310 nan 0.000 0.528 109 P HA -0.127 nan 4.420 nan 0.000 0.217 109 P C 0.687 177.946 177.300 -0.069 0.000 1.148 109 P CA 1.499 64.530 63.100 -0.115 0.000 0.828 109 P CB -0.150 31.504 31.700 -0.077 0.000 0.783 110 D N -2.183 118.171 120.400 -0.076 0.000 2.328 110 D HA 0.093 4.731 4.640 -0.004 0.000 0.226 110 D C 1.406 177.703 176.300 -0.005 0.000 1.066 110 D CA 0.462 54.456 54.000 -0.010 0.000 0.861 110 D CB -1.152 39.675 40.800 0.045 0.000 0.912 110 D HN 0.176 nan 8.370 nan 0.000 0.521 111 G N 0.501 109.285 108.800 -0.026 0.000 2.175 111 G HA2 -0.432 3.526 3.960 -0.004 0.000 0.265 111 G HA3 -0.432 3.526 3.960 -0.004 0.000 0.265 111 G C 0.980 175.858 174.900 -0.036 0.000 0.979 111 G CA 0.678 45.797 45.100 0.031 0.000 0.663 111 G HN 0.475 nan 8.290 nan 0.000 0.533 112 Q N -1.614 118.116 119.800 -0.117 0.000 2.389 112 Q HA 0.371 4.708 4.340 -0.004 0.000 0.204 112 Q C 0.288 175.867 176.000 -0.703 0.000 0.944 112 Q CA 0.615 56.192 55.803 -0.378 0.000 0.908 112 Q CB 0.259 28.763 28.738 -0.390 0.000 1.002 112 Q HN 0.596 nan 8.270 nan 0.000 0.493 113 F N -0.926 118.955 119.950 -0.115 0.000 2.643 113 F HA 0.509 5.034 4.527 -0.004 0.000 0.314 113 F C -0.727 175.153 175.800 0.134 0.000 1.096 113 F CA -1.224 56.785 58.000 0.016 0.000 0.953 113 F CB 1.689 40.720 39.000 0.052 0.000 1.345 113 F HN -0.237 nan 8.300 nan 0.000 0.468 114 I N 2.471 123.381 120.570 0.567 0.000 2.499 114 I HA 0.500 4.668 4.170 -0.004 0.000 0.288 114 I C -1.884 174.572 176.117 0.565 0.000 1.048 114 I CA -0.981 60.638 61.300 0.532 0.000 1.062 114 I CB 1.514 39.774 38.000 0.435 0.000 1.238 114 I HN 0.526 nan 8.210 nan 0.000 0.426 115 L N 8.192 129.774 121.223 0.597 0.000 2.290 115 L HA 0.475 4.812 4.340 -0.004 0.000 0.284 115 L C -1.153 175.865 176.870 0.247 0.000 1.078 115 L CA 0.021 55.089 54.840 0.379 0.000 0.815 115 L CB 0.951 43.159 42.059 0.248 0.000 1.162 115 L HN 0.508 nan 8.230 nan 0.000 0.435 116 L N 5.286 126.596 121.223 0.146 0.000 2.287 116 L HA 0.487 4.824 4.340 -0.004 0.000 0.287 116 L C -0.135 176.777 176.870 0.070 0.000 1.022 116 L CA -0.414 54.407 54.840 -0.030 0.000 0.814 116 L CB 1.504 43.340 42.059 -0.371 0.000 1.217 116 L HN 0.611 nan 8.230 nan 0.000 0.420 117 E N 4.156 124.354 120.200 -0.002 0.000 2.151 117 E HA 0.457 4.805 4.350 -0.004 0.000 0.275 117 E C -1.607 174.947 176.600 -0.076 0.000 0.936 117 E CA -0.500 55.764 56.400 -0.226 0.000 0.777 117 E CB 1.203 30.822 29.700 -0.135 0.000 1.108 117 E HN 0.449 nan 8.360 nan 0.000 0.401 118 Y N 1.588 121.692 120.300 -0.327 0.000 2.728 118 Y HA 0.453 5.001 4.550 -0.003 0.000 0.330 118 Y C -0.127 175.688 175.900 -0.142 0.000 1.234 118 Y CA -1.629 56.378 58.100 -0.156 0.000 1.070 118 Y CB 0.434 38.866 38.460 -0.046 0.000 1.300 118 Y HN 0.511 nan 8.280 nan 0.000 0.467 119 N N -0.362 118.357 118.700 0.031 0.000 2.735 119 N HA -0.293 4.445 4.740 -0.004 0.000 0.248 119 N C -1.026 174.460 175.510 -0.039 0.000 1.083 119 N CA 0.955 53.978 53.050 -0.045 0.000 0.703 119 N CB -1.522 36.826 38.487 -0.232 0.000 1.005 119 N HN 0.848 nan 8.380 nan 0.000 0.550 120 Y N 0.279 120.514 120.300 -0.109 0.000 2.650 120 Y HA 0.229 4.777 4.550 -0.004 0.000 0.331 120 Y C 0.061 175.928 175.900 -0.055 0.000 1.165 120 Y CA 0.128 58.159 58.100 -0.115 0.000 1.473 120 Y CB 0.622 38.972 38.460 -0.184 0.000 1.224 120 Y HN 0.000 nan 8.280 nan 0.000 0.533 121 V N 8.367 127.945 119.914 -0.560 0.000 2.357 121 V HA 0.180 4.298 4.120 -0.004 0.000 0.281 121 V C -0.157 175.555 176.094 -0.637 0.000 1.015 121 V CA -1.353 60.671 62.300 -0.459 0.000 0.827 121 V CB 1.054 32.749 31.823 -0.214 0.000 1.018 121 V HN 0.744 nan 8.190 nan 0.000 0.432 122 K N 3.764 123.742 120.400 -0.703 0.000 2.436 122 K HA 0.153 4.470 4.320 -0.004 0.000 0.275 122 K C 0.443 176.872 176.600 -0.285 0.000 0.999 122 K CA 0.379 56.416 56.287 -0.416 0.000 0.980 122 K CB 1.110 33.562 32.500 -0.080 0.000 0.919 122 K HN 0.803 nan 8.250 nan 0.000 0.484 123 Q N 2.937 122.561 119.800 -0.293 0.000 2.362 123 Q HA 0.187 4.524 4.340 -0.004 0.000 0.190 123 Q C -0.084 175.672 176.000 -0.407 0.000 0.763 123 Q CA -0.459 54.980 55.803 -0.606 0.000 0.681 123 Q CB 0.145 28.340 28.738 -0.906 0.000 2.020 123 Q HN 0.741 nan 8.270 nan 0.000 0.483 124 W N 0.243 121.540 121.300 -0.005 0.000 1.941 124 W HA 0.413 5.071 4.660 -0.003 0.000 0.629 124 W C 1.822 178.327 176.519 -0.024 0.000 1.517 124 W CA -0.711 56.657 57.345 0.038 0.000 1.502 124 W CB -0.161 29.284 29.460 -0.025 0.000 3.266 124 W HN 0.272 nan 8.180 nan 0.000 0.765 125 R N -0.589 120.001 120.500 0.149 0.000 2.096 125 R HA -0.149 4.189 4.340 -0.004 0.000 0.235 125 R C 1.680 177.799 176.300 -0.303 0.000 1.127 125 R CA 1.804 57.808 56.100 -0.161 0.000 0.968 125 R CB -0.358 29.697 30.300 -0.409 0.000 0.861 125 R HN 0.503 nan 8.270 nan 0.000 0.440 126 H N -1.502 117.642 119.070 0.123 0.000 2.927 126 H HA 0.162 4.716 4.556 -0.004 0.000 0.255 126 H C 0.599 176.010 175.328 0.139 0.000 0.974 126 H CA 0.432 56.571 56.048 0.152 0.000 1.199 126 H CB 0.288 30.112 29.762 0.104 0.000 1.447 126 H HN 0.134 nan 8.280 nan 0.000 0.467 127 S N 1.389 117.076 115.700 -0.022 0.000 2.585 127 S HA 0.377 4.845 4.470 -0.004 0.000 0.273 127 S C -0.308 174.171 174.600 -0.201 0.000 1.339 127 S CA -0.459 57.441 58.200 -0.499 0.000 1.028 127 S CB 0.756 63.103 63.200 -1.423 0.000 0.906 127 S HN 0.446 nan 8.310 nan 0.000 0.528 128 Y N -2.421 117.747 120.300 -0.219 0.000 2.687 128 Y HA 0.625 5.173 4.550 -0.004 0.000 0.338 128 Y C -0.855 175.016 175.900 -0.047 0.000 1.189 128 Y CA -0.990 56.977 58.100 -0.223 0.000 1.097 128 Y CB 0.369 38.673 38.460 -0.260 0.000 1.342 128 Y HN 0.866 nan 8.280 nan 0.000 0.461 129 T N 0.105 114.706 114.554 0.079 0.000 2.940 129 T HA 1.028 5.375 4.350 -0.004 0.000 0.288 129 T C -0.363 174.426 174.700 0.149 0.000 1.033 129 T CA -0.177 61.988 62.100 0.108 0.000 1.033 129 T CB 1.807 70.686 68.868 0.018 0.000 1.079 129 T HN 1.856 nan 8.240 nan 0.000 0.496 130 A N 0.792 123.681 122.820 0.114 0.000 2.566 130 A HA 0.749 5.067 4.320 -0.004 0.000 0.290 130 A C -0.602 176.798 177.584 -0.306 0.000 1.071 130 A CA -0.973 50.995 52.037 -0.115 0.000 0.658 130 A CB 0.957 19.877 19.000 -0.133 0.000 1.285 130 A HN 0.817 nan 8.150 nan 0.000 0.427 131 S N -0.808 114.461 115.700 -0.718 0.000 2.651 131 S HA 0.863 5.330 4.470 -0.004 0.000 0.291 131 S C -1.517 172.417 174.600 -1.111 0.000 1.141 131 S CA -0.091 57.600 58.200 -0.848 0.000 1.027 131 S CB 0.725 63.131 63.200 -1.323 0.000 1.043 131 S HN 0.485 nan 8.310 nan 0.000 0.530 132 Y N -0.095 119.979 120.300 -0.377 0.000 2.513 132 Y HA 0.474 5.022 4.550 -0.004 0.000 0.340 132 Y C -0.527 175.429 175.900 0.093 0.000 1.055 132 Y CA -0.968 57.076 58.100 -0.094 0.000 1.020 132 Y CB 1.751 40.098 38.460 -0.188 0.000 1.301 132 Y HN 0.490 nan 8.280 nan 0.000 0.453 133 D N 1.890 122.509 120.400 0.366 0.000 2.547 133 D HA 0.590 5.228 4.640 -0.004 0.000 0.231 133 D C -1.004 175.434 176.300 0.231 0.000 1.099 133 D CA -0.364 53.820 54.000 0.307 0.000 0.901 133 D CB 2.848 43.926 40.800 0.463 0.000 1.478 133 D HN 0.403 nan 8.370 nan 0.000 0.471 134 I N 1.525 122.227 120.570 0.219 0.000 2.433 134 I HA 0.253 4.420 4.170 -0.004 0.000 0.292 134 I C -1.053 175.295 176.117 0.386 0.000 1.001 134 I CA -0.936 60.529 61.300 0.274 0.000 1.119 134 I CB 1.644 39.745 38.000 0.168 0.000 1.289 134 I HN 0.222 nan 8.210 nan 0.000 0.438 135 Y N 5.507 125.997 120.300 0.317 0.000 2.335 135 Y HA 0.277 4.824 4.550 -0.004 0.000 0.338 135 Y C -0.137 175.969 175.900 0.343 0.000 0.977 135 Y CA -0.658 57.629 58.100 0.313 0.000 1.114 135 Y CB 1.125 39.779 38.460 0.323 0.000 1.182 135 Y HN 0.469 nan 8.280 nan 0.000 0.463 136 D N 6.413 126.757 120.400 -0.093 0.000 2.352 136 D HA 0.063 4.701 4.640 -0.004 0.000 0.245 136 D C 0.772 176.810 176.300 -0.437 0.000 1.224 136 D CA 0.345 54.209 54.000 -0.226 0.000 0.879 136 D CB 0.920 41.623 40.800 -0.162 0.000 1.057 136 D HN 0.880 nan 8.370 nan 0.000 0.491 137 L N 3.741 124.800 121.223 -0.272 0.000 2.131 137 L HA -0.170 4.167 4.340 -0.004 0.000 0.210 137 L C 1.994 178.739 176.870 -0.209 0.000 1.092 137 L CA 0.626 55.394 54.840 -0.119 0.000 0.759 137 L CB -0.213 41.798 42.059 -0.079 0.000 0.903 137 L HN 0.371 nan 8.230 nan 0.000 0.435 138 N N 0.318 118.841 118.700 -0.296 0.000 2.148 138 N HA -0.114 4.624 4.740 -0.004 0.000 0.186 138 N C 1.694 177.087 175.510 -0.196 0.000 1.031 138 N CA 1.173 54.086 53.050 -0.229 0.000 0.848 138 N CB -0.108 38.237 38.487 -0.238 0.000 1.005 138 N HN 0.302 nan 8.380 nan 0.000 0.427 139 K N 0.555 120.820 120.400 -0.224 0.000 2.365 139 K HA 0.118 4.436 4.320 -0.004 0.000 0.199 139 K C -0.129 176.347 176.600 -0.207 0.000 1.045 139 K CA 0.111 56.290 56.287 -0.180 0.000 0.962 139 K CB 0.275 32.683 32.500 -0.154 0.000 0.759 139 K HN -0.018 nan 8.250 nan 0.000 0.469 140 R N 0.764 121.073 120.500 -0.318 0.000 3.656 140 R HA -0.149 4.189 4.340 -0.004 0.000 0.297 140 R C -0.930 175.101 176.300 -0.449 0.000 1.166 140 R CA 0.858 56.756 56.100 -0.337 0.000 0.799 140 R CB -2.866 27.388 30.300 -0.077 0.000 1.285 140 R HN 0.504 nan 8.270 nan 0.000 0.477 141 Q N -0.190 119.250 119.800 -0.601 0.000 2.413 141 Q HA 0.611 4.949 4.340 -0.004 0.000 0.276 141 Q C -0.473 175.339 176.000 -0.314 0.000 1.099 141 Q CA -1.283 54.334 55.803 -0.309 0.000 0.814 141 Q CB 2.075 30.736 28.738 -0.128 0.000 1.379 141 Q HN 0.046 nan 8.270 nan 0.000 0.436 142 L N 2.145 123.408 121.223 0.067 0.000 2.290 142 L HA 0.360 4.697 4.340 -0.004 0.000 0.284 142 L C -0.765 176.197 176.870 0.154 0.000 1.078 142 L CA -0.014 54.986 54.840 0.267 0.000 0.815 142 L CB 0.660 42.973 42.059 0.423 0.000 1.162 142 L HN 0.549 nan 8.230 nan 0.000 0.435 143 I N 4.211 124.876 120.570 0.158 0.000 2.618 143 I HA 0.049 4.217 4.170 -0.004 0.000 0.284 143 I C 1.058 177.227 176.117 0.087 0.000 1.146 143 I CA 0.393 61.755 61.300 0.104 0.000 1.425 143 I CB 0.824 38.882 38.000 0.097 0.000 1.383 143 I HN 0.806 nan 8.210 nan 0.000 0.562 144 T N 0.981 115.567 114.554 0.052 0.000 3.040 144 T HA 0.166 4.514 4.350 -0.004 0.000 0.266 144 T C 0.318 175.021 174.700 0.005 0.000 1.005 144 T CA -0.482 61.639 62.100 0.035 0.000 0.906 144 T CB -0.005 68.882 68.868 0.031 0.000 1.082 144 T HN 0.681 nan 8.240 nan 0.000 0.531 145 E N 1.194 121.392 120.200 -0.003 0.000 2.221 145 E HA 0.383 4.731 4.350 -0.004 0.000 0.268 145 E C -0.811 175.761 176.600 -0.047 0.000 0.933 145 E CA -0.911 55.475 56.400 -0.024 0.000 0.809 145 E CB 0.895 30.585 29.700 -0.016 0.000 1.190 145 E HN -0.001 nan 8.360 nan 0.000 0.406 146 E N 0.796 120.955 120.200 -0.069 0.000 2.269 146 E HA -0.222 4.126 4.350 -0.004 0.000 0.223 146 E C -0.722 175.801 176.600 -0.128 0.000 1.244 146 E CA 0.726 57.067 56.400 -0.098 0.000 0.713 146 E CB -1.393 28.259 29.700 -0.081 0.000 1.178 146 E HN 0.534 nan 8.360 nan 0.000 0.370 147 R N -0.125 120.293 120.500 -0.136 0.000 2.594 147 R HA 0.364 4.702 4.340 -0.004 0.000 0.272 147 R C 1.128 177.254 176.300 -0.290 0.000 1.074 147 R CA -0.561 55.443 56.100 -0.160 0.000 1.105 147 R CB 0.569 30.809 30.300 -0.100 0.000 1.008 147 R HN 0.132 nan 8.270 nan 0.000 0.472 148 I N 4.428 124.782 120.570 -0.359 0.000 2.752 148 I HA -0.038 4.130 4.170 -0.004 0.000 0.289 148 I C -1.701 174.114 176.117 -0.504 0.000 1.197 148 I CA -1.240 59.682 61.300 -0.630 0.000 1.432 148 I CB 0.264 37.895 38.000 -0.616 0.000 1.359 148 I HN 0.326 nan 8.210 nan 0.000 0.571 149 P HA 0.047 nan 4.420 nan 0.000 0.270 149 P C -0.853 176.257 177.300 -0.316 0.000 1.223 149 P CA -0.269 62.456 63.100 -0.624 0.000 0.785 149 P CB 0.373 31.276 31.700 -1.328 0.000 0.923 150 N N 2.192 120.790 118.700 -0.170 0.000 2.467 150 N HA 0.075 4.813 4.740 -0.004 0.000 0.262 150 N C 0.291 175.880 175.510 0.131 0.000 1.234 150 N CA 0.103 53.120 53.050 -0.055 0.000 0.952 150 N CB -0.255 38.204 38.487 -0.046 0.000 1.158 150 N HN 0.407 nan 8.380 nan 0.000 0.463 151 N N -0.899 117.859 118.700 0.097 0.000 2.776 151 N HA -0.146 4.591 4.740 -0.004 0.000 0.249 151 N C -0.896 174.779 175.510 0.275 0.000 1.111 151 N CA 0.648 53.791 53.050 0.155 0.000 0.711 151 N CB -1.746 36.838 38.487 0.163 0.000 1.065 151 N HN 0.468 nan 8.380 nan 0.000 0.556 152 T N 0.865 115.579 114.554 0.267 0.000 2.851 152 T HA 0.133 4.481 4.350 -0.004 0.000 0.298 152 T C 1.716 176.558 174.700 0.237 0.000 0.977 152 T CA 0.009 62.280 62.100 0.286 0.000 1.126 152 T CB 1.251 70.183 68.868 0.106 0.000 0.916 152 T HN 0.154 nan 8.240 nan 0.000 0.529 153 Q N 2.015 121.942 119.800 0.211 0.000 2.187 153 Q HA 0.121 4.459 4.340 -0.004 0.000 0.199 153 Q C 0.198 176.337 176.000 0.231 0.000 0.957 153 Q CA 0.618 56.554 55.803 0.222 0.000 0.857 153 Q CB 0.616 29.438 28.738 0.140 0.000 0.929 153 Q HN 0.695 nan 8.270 nan 0.000 0.453 154 W N -0.517 120.719 121.300 -0.106 0.000 3.419 154 W HA 0.450 5.108 4.660 -0.003 0.000 0.298 154 W C -2.309 174.101 176.519 -0.181 0.000 1.260 154 W CA -0.600 56.638 57.345 -0.179 0.000 1.199 154 W CB 1.165 30.457 29.460 -0.280 0.000 1.349 154 W HN -0.366 nan 8.180 nan 0.000 0.557 155 V N 3.055 122.207 119.914 -1.271 0.000 2.932 155 V HA 0.664 4.782 4.120 -0.004 0.000 0.307 155 V C -0.559 174.920 176.094 -1.026 0.000 1.147 155 V CA -0.589 61.150 62.300 -0.935 0.000 0.951 155 V CB 1.867 33.060 31.823 -1.049 0.000 1.031 155 V HN 0.504 nan 8.190 nan 0.000 0.426 156 T N 2.600 116.875 114.554 -0.465 0.000 3.041 156 T HA 0.520 4.868 4.350 -0.004 0.000 0.321 156 T C -1.417 173.311 174.700 0.047 0.000 1.184 156 T CA -0.296 61.713 62.100 -0.152 0.000 1.050 156 T CB 0.830 69.843 68.868 0.241 0.000 1.159 156 T HN 0.509 nan 8.240 nan 0.000 0.469 157 W N 2.918 124.252 121.300 0.058 0.000 2.093 157 W HA 0.454 5.112 4.660 -0.004 0.000 0.352 157 W C 1.210 177.602 176.519 -0.211 0.000 1.294 157 W CA -0.548 56.787 57.345 -0.017 0.000 1.290 157 W CB 0.589 30.038 29.460 -0.019 0.000 1.149 157 W HN 0.784 nan 8.180 nan 0.000 0.606 158 S N 1.606 117.118 115.700 -0.313 0.000 2.603 158 S HA 0.160 4.627 4.470 -0.004 0.000 0.268 158 S C -1.471 172.860 174.600 -0.448 0.000 1.317 158 S CA -1.075 56.389 58.200 -1.226 0.000 1.012 158 S CB 1.060 63.438 63.200 -1.369 0.000 0.926 158 S HN 0.390 nan 8.310 nan 0.000 0.539 159 P HA 0.025 nan 4.420 nan 0.000 0.222 159 P C -0.057 177.185 177.300 -0.097 0.000 1.147 159 P CA 0.710 63.752 63.100 -0.097 0.000 0.790 159 P CB -0.004 31.685 31.700 -0.019 0.000 0.780 160 V N -1.537 118.273 119.914 -0.174 0.000 2.962 160 V HA 0.638 4.756 4.120 -0.004 0.000 0.313 160 V C 0.822 176.807 176.094 -0.182 0.000 1.099 160 V CA 0.037 62.257 62.300 -0.133 0.000 0.971 160 V CB 1.047 32.806 31.823 -0.107 0.000 1.028 160 V HN 0.439 nan 8.190 nan 0.000 0.430 161 G N 2.447 111.162 108.800 -0.141 0.000 2.527 161 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.268 161 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.268 161 G C 0.121 174.935 174.900 -0.143 0.000 1.175 161 G CA 0.626 45.612 45.100 -0.191 0.000 0.962 161 G HN 1.926 nan 8.290 nan 0.000 0.560 162 H N -0.573 118.483 119.070 -0.023 0.000 3.233 162 H HA 0.409 4.963 4.556 -0.004 0.000 0.232 162 H C 0.254 175.741 175.328 0.266 0.000 1.322 162 H CA -0.119 55.968 56.048 0.064 0.000 1.043 162 H CB -0.314 29.483 29.762 0.058 0.000 2.572 162 H HN 0.532 nan 8.280 nan 0.000 0.597 163 K N 1.507 121.952 120.400 0.074 0.000 2.138 163 K HA 0.540 4.858 4.320 -0.004 0.000 0.251 163 K C -0.406 176.331 176.600 0.227 0.000 1.015 163 K CA -0.400 55.945 56.287 0.096 0.000 0.917 163 K CB 1.520 33.951 32.500 -0.115 0.000 1.021 163 K HN 0.127 nan 8.250 nan 0.000 0.485 164 L N 0.692 122.066 121.223 0.253 0.000 2.422 164 L HA 0.567 4.905 4.340 -0.004 0.000 0.264 164 L C -1.166 175.902 176.870 0.331 0.000 0.984 164 L CA -0.847 54.097 54.840 0.173 0.000 0.819 164 L CB 2.227 44.212 42.059 -0.122 0.000 1.330 164 L HN 0.713 nan 8.230 nan 0.000 0.410 165 A N 2.395 125.400 122.820 0.308 0.000 2.371 165 A HA 0.861 5.179 4.320 -0.004 0.000 0.311 165 A C -1.653 175.959 177.584 0.047 0.000 1.068 165 A CA -0.383 51.716 52.037 0.104 0.000 0.744 165 A CB 1.273 20.226 19.000 -0.078 0.000 1.239 165 A HN 0.648 nan 8.150 nan 0.000 0.435 166 Y N -0.712 119.533 120.300 -0.091 0.000 2.588 166 Y HA 0.759 5.307 4.550 -0.003 0.000 0.343 166 Y C -1.165 174.731 175.900 -0.008 0.000 1.065 166 Y CA -1.603 56.420 58.100 -0.128 0.000 1.038 166 Y CB 1.139 39.457 38.460 -0.238 0.000 1.297 166 Y HN 0.384 nan 8.280 nan 0.000 0.467 167 V N 2.098 122.116 119.914 0.173 0.000 2.417 167 V HA 0.359 4.477 4.120 -0.004 0.000 0.291 167 V C -1.406 174.875 176.094 0.311 0.000 1.024 167 V CA -0.592 61.789 62.300 0.134 0.000 0.861 167 V CB 1.211 33.031 31.823 -0.005 0.000 0.985 167 V HN 0.870 nan 8.190 nan 0.000 0.436 168 W N 5.013 126.391 121.300 0.130 0.000 3.042 168 W HA 0.463 5.121 4.660 -0.004 0.000 0.337 168 W C 0.315 176.876 176.519 0.070 0.000 1.086 168 W CA -0.746 56.649 57.345 0.084 0.000 1.236 168 W CB 1.247 30.723 29.460 0.026 0.000 1.381 168 W HN 0.785 nan 8.180 nan 0.000 0.472 169 N N 4.976 123.284 118.700 -0.653 0.000 2.721 169 N HA -0.337 4.401 4.740 -0.004 0.000 0.249 169 N C -0.035 175.300 175.510 -0.292 0.000 1.072 169 N CA 0.996 53.667 53.050 -0.631 0.000 0.710 169 N CB -0.938 36.942 38.487 -1.011 0.000 0.993 169 N HN 0.730 nan 8.380 nan 0.000 0.547 170 N N -1.379 117.215 118.700 -0.177 0.000 2.800 170 N HA -0.151 4.587 4.740 -0.004 0.000 0.250 170 N C -1.509 173.921 175.510 -0.133 0.000 1.078 170 N CA 1.648 54.617 53.050 -0.135 0.000 0.804 170 N CB -0.462 37.907 38.487 -0.196 0.000 1.135 170 N HN 0.520 nan 8.380 nan 0.000 0.565 171 D N -0.227 120.104 120.400 -0.115 0.000 2.433 171 D HA 0.491 5.129 4.640 -0.004 0.000 0.236 171 D C 0.383 176.510 176.300 -0.288 0.000 1.026 171 D CA -0.453 53.395 54.000 -0.252 0.000 0.884 171 D CB 1.406 42.005 40.800 -0.335 0.000 1.384 171 D HN -0.013 nan 8.370 nan 0.000 0.477 172 I N 1.577 121.812 120.570 -0.558 0.000 2.440 172 I HA 0.239 4.406 4.170 -0.004 0.000 0.294 172 I C -0.689 174.936 176.117 -0.821 0.000 0.995 172 I CA -0.387 60.565 61.300 -0.580 0.000 1.306 172 I CB 0.589 38.158 38.000 -0.718 0.000 1.407 172 I HN 0.167 nan 8.210 nan 0.000 0.501 173 Y N 3.892 123.785 120.300 -0.677 0.000 2.512 173 Y HA 0.633 5.181 4.550 -0.004 0.000 0.348 173 Y C -0.419 175.111 175.900 -0.617 0.000 0.990 173 Y CA -0.903 56.743 58.100 -0.757 0.000 1.033 173 Y CB 2.084 39.789 38.460 -1.258 0.000 1.259 173 Y HN 0.099 nan 8.280 nan 0.000 0.461 174 V N 2.730 122.558 119.914 -0.142 0.000 2.656 174 V HA 0.464 4.582 4.120 -0.004 0.000 0.307 174 V C -0.840 175.375 176.094 0.202 0.000 1.051 174 V CA -1.389 60.937 62.300 0.045 0.000 0.893 174 V CB 2.041 33.912 31.823 0.080 0.000 0.999 174 V HN 0.612 nan 8.190 nan 0.000 0.426 175 K N 4.067 124.604 120.400 0.228 0.000 2.394 175 K HA 0.508 4.825 4.320 -0.004 0.000 0.260 175 K C 0.336 177.074 176.600 0.230 0.000 0.967 175 K CA -0.719 55.693 56.287 0.207 0.000 0.855 175 K CB 1.796 34.380 32.500 0.141 0.000 1.101 175 K HN 0.450 nan 8.250 nan 0.000 0.433 176 I N 1.177 121.903 120.570 0.260 0.000 2.353 176 I HA -0.063 4.104 4.170 -0.004 0.000 0.248 176 I C 0.422 176.654 176.117 0.192 0.000 1.119 176 I CA 1.421 62.849 61.300 0.213 0.000 1.417 176 I CB -0.178 37.956 38.000 0.224 0.000 1.078 176 I HN 0.543 nan 8.210 nan 0.000 0.421 177 E N -0.088 120.213 120.200 0.169 0.000 2.248 177 E HA 0.283 4.630 4.350 -0.004 0.000 0.267 177 E C -1.881 174.724 176.600 0.008 0.000 0.877 177 E CA -2.075 54.409 56.400 0.139 0.000 0.759 177 E CB 1.787 31.563 29.700 0.127 0.000 1.182 177 E HN -0.155 nan 8.360 nan 0.000 0.418 178 P HA -0.179 nan 4.420 nan 0.000 0.217 178 P C 0.795 178.018 177.300 -0.129 0.000 1.148 178 P CA 1.379 64.329 63.100 -0.250 0.000 0.834 178 P CB 0.320 31.607 31.700 -0.688 0.000 0.783 179 N N -1.545 117.111 118.700 -0.074 0.000 2.236 179 N HA 0.026 4.764 4.740 -0.004 0.000 0.196 179 N C 0.202 175.699 175.510 -0.022 0.000 1.114 179 N CA 0.154 53.186 53.050 -0.029 0.000 0.859 179 N CB -0.136 38.356 38.487 0.008 0.000 0.982 179 N HN 0.165 nan 8.380 nan 0.000 0.493 180 L N 0.591 121.804 121.223 -0.016 0.000 2.400 180 L HA 0.524 4.862 4.340 -0.004 0.000 0.264 180 L C -2.253 174.579 176.870 -0.063 0.000 1.061 180 L CA -2.220 52.606 54.840 -0.022 0.000 0.799 180 L CB 0.781 42.848 42.059 0.013 0.000 1.240 180 L HN -0.211 nan 8.230 nan 0.000 0.461 181 P HA 0.048 nan 4.420 nan 0.000 0.268 181 P C -0.856 176.292 177.300 -0.255 0.000 1.205 181 P CA -0.244 62.756 63.100 -0.166 0.000 0.771 181 P CB 0.712 32.301 31.700 -0.185 0.000 0.858 182 S N 1.890 117.492 115.700 -0.163 0.000 2.632 182 S HA 0.410 4.878 4.470 -0.004 0.000 0.267 182 S C -0.758 173.691 174.600 -0.251 0.000 1.276 182 S CA -0.395 57.740 58.200 -0.108 0.000 0.998 182 S CB 0.164 63.419 63.200 0.093 0.000 0.953 182 S HN 0.263 nan 8.310 nan 0.000 0.547 183 Y N -0.007 120.315 120.300 0.036 0.000 2.331 183 Y HA 0.470 5.018 4.550 -0.004 0.000 0.338 183 Y C 0.838 176.647 175.900 -0.152 0.000 0.992 183 Y CA -0.825 57.271 58.100 -0.006 0.000 1.121 183 Y CB 1.098 39.554 38.460 -0.006 0.000 1.184 183 Y HN 0.591 nan 8.280 nan 0.000 0.469 184 R N 3.423 123.836 120.500 -0.145 0.000 2.438 184 R HA 0.238 4.576 4.340 -0.004 0.000 0.287 184 R C 0.081 175.961 176.300 -0.699 0.000 1.077 184 R CA -0.012 55.622 56.100 -0.777 0.000 1.034 184 R CB 0.514 30.154 30.300 -1.099 0.000 0.993 184 R HN 0.771 nan 8.270 nan 0.000 0.459 185 I N 1.662 121.742 120.570 -0.816 0.000 3.339 185 I HA 0.010 4.177 4.170 -0.004 0.000 0.285 185 I C 0.938 176.786 176.117 -0.448 0.000 1.201 185 I CA 0.783 61.791 61.300 -0.486 0.000 1.434 185 I CB -0.324 37.383 38.000 -0.489 0.000 1.152 185 I HN 0.597 nan 8.210 nan 0.000 0.443 186 T N -3.892 110.220 114.554 -0.736 0.000 2.900 186 T HA 0.403 4.751 4.350 -0.004 0.000 0.295 186 T C -0.247 174.143 174.700 -0.517 0.000 1.044 186 T CA -0.529 61.331 62.100 -0.401 0.000 0.995 186 T CB 2.115 70.747 68.868 -0.394 0.000 1.072 186 T HN 0.210 nan 8.240 nan 0.000 0.473 187 W N 0.821 122.015 121.300 -0.177 0.000 2.714 187 W HA 0.106 4.764 4.660 -0.004 0.000 0.353 187 W C 1.589 178.055 176.519 -0.088 0.000 0.999 187 W CA 0.068 57.344 57.345 -0.116 0.000 1.629 187 W CB 0.582 29.993 29.460 -0.081 0.000 1.106 187 W HN 0.955 nan 8.180 nan 0.000 0.545 188 T N -2.116 112.487 114.554 0.082 0.000 3.081 188 T HA 0.127 4.474 4.350 -0.004 0.000 0.255 188 T C 1.355 176.048 174.700 -0.011 0.000 1.113 188 T CA 0.377 62.501 62.100 0.041 0.000 1.082 188 T CB -0.133 68.756 68.868 0.035 0.000 0.939 188 T HN -0.027 nan 8.240 nan 0.000 0.506 189 G N 1.274 110.035 108.800 -0.064 0.000 2.163 189 G HA2 0.237 4.195 3.960 -0.004 0.000 0.239 189 G HA3 0.237 4.195 3.960 -0.004 0.000 0.239 189 G C -0.512 174.325 174.900 -0.106 0.000 1.148 189 G CA -0.229 44.808 45.100 -0.105 0.000 0.880 189 G HN 0.575 nan 8.290 nan 0.000 0.466 190 K N 1.818 122.131 120.400 -0.146 0.000 2.651 190 K HA 0.121 4.439 4.320 -0.004 0.000 0.259 190 K C -0.125 176.346 176.600 -0.216 0.000 1.017 190 K CA -0.612 55.592 56.287 -0.139 0.000 0.897 190 K CB 1.279 33.734 32.500 -0.074 0.000 1.262 190 K HN 0.702 nan 8.250 nan 0.000 0.460 191 E N 3.494 123.574 120.200 -0.200 0.000 2.820 191 E HA -0.193 4.155 4.350 -0.004 0.000 0.251 191 E C -0.517 175.978 176.600 -0.174 0.000 0.944 191 E CA 1.136 57.416 56.400 -0.201 0.000 0.955 191 E CB 0.211 29.832 29.700 -0.132 0.000 0.904 191 E HN 0.627 nan 8.360 nan 0.000 0.513 192 D N 2.500 122.765 120.400 -0.224 0.000 3.006 192 D HA -0.245 4.393 4.640 -0.004 0.000 0.208 192 D C 0.602 176.916 176.300 0.024 0.000 1.116 192 D CA 1.383 55.376 54.000 -0.012 0.000 0.998 192 D CB -0.504 40.343 40.800 0.078 0.000 1.124 192 D HN 0.434 nan 8.370 nan 0.000 0.413 193 I N -0.866 119.626 120.570 -0.131 0.000 3.623 193 I HA 0.092 4.259 4.170 -0.004 0.000 0.253 193 I C 0.773 176.934 176.117 0.073 0.000 1.144 193 I CA 0.355 61.673 61.300 0.031 0.000 1.461 193 I CB 0.162 38.169 38.000 0.012 0.000 1.575 193 I HN -0.141 nan 8.210 nan 0.000 0.445 194 I N 1.745 122.278 120.570 -0.061 0.000 2.362 194 I HA 0.258 4.426 4.170 -0.004 0.000 0.289 194 I C -1.199 174.893 176.117 -0.041 0.000 0.994 194 I CA -0.622 60.714 61.300 0.061 0.000 1.158 194 I CB 0.768 38.795 38.000 0.046 0.000 1.315 194 I HN 0.047 nan 8.210 nan 0.000 0.451 195 Y N 4.702 125.097 120.300 0.157 0.000 2.345 195 Y HA 0.404 4.952 4.550 -0.004 0.000 0.331 195 Y C 0.370 176.339 175.900 0.114 0.000 0.959 195 Y CA -0.773 57.421 58.100 0.156 0.000 1.204 195 Y CB 0.990 39.617 38.460 0.279 0.000 1.135 195 Y HN 0.413 nan 8.280 nan 0.000 0.477 196 N N 2.165 120.932 118.700 0.112 0.000 2.424 196 N HA 0.350 5.088 4.740 -0.004 0.000 0.271 196 N C 0.849 176.293 175.510 -0.110 0.000 0.985 196 N CA 0.418 53.462 53.050 -0.011 0.000 0.921 196 N CB 1.899 40.282 38.487 -0.175 0.000 1.149 196 N HN 0.974 nan 8.380 nan 0.000 0.492 197 G N 1.576 110.326 108.800 -0.083 0.000 2.184 197 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.264 197 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.264 197 G C 0.122 174.869 174.900 -0.256 0.000 0.975 197 G CA 0.798 45.770 45.100 -0.213 0.000 0.642 197 G HN 0.675 nan 8.290 nan 0.000 0.536 198 I N -1.980 118.520 120.570 -0.116 0.000 2.865 198 I HA 0.801 4.969 4.170 -0.004 0.000 0.302 198 I C 0.277 176.435 176.117 0.070 0.000 1.140 198 I CA -0.651 60.497 61.300 -0.254 0.000 1.021 198 I CB 1.997 39.663 38.000 -0.557 0.000 1.233 198 I HN 0.171 nan 8.210 nan 0.000 0.427 199 T N -0.230 114.297 114.554 -0.045 0.000 2.899 199 T HA 0.367 4.715 4.350 -0.004 0.000 0.284 199 T C -0.153 174.344 174.700 -0.338 0.000 1.004 199 T CA -0.622 61.306 62.100 -0.286 0.000 1.043 199 T CB 1.224 70.000 68.868 -0.152 0.000 1.013 199 T HN 0.769 nan 8.240 nan 0.000 0.518 200 D N 0.168 120.117 120.400 -0.751 0.000 2.478 200 D HA 0.040 4.678 4.640 -0.004 0.000 0.269 200 D C 0.960 177.172 176.300 -0.146 0.000 1.232 200 D CA -1.104 52.447 54.000 -0.748 0.000 1.059 200 D CB 0.117 40.440 40.800 -0.796 0.000 1.104 200 D HN 0.701 nan 8.370 nan 0.000 0.566 201 W N 0.105 121.344 121.300 -0.101 0.000 2.317 201 W HA -0.222 4.435 4.660 -0.004 0.000 0.318 201 W C 2.178 178.585 176.519 -0.187 0.000 1.227 201 W CA 2.378 59.657 57.345 -0.109 0.000 1.269 201 W CB -0.457 28.875 29.460 -0.214 0.000 1.155 201 W HN 0.187 nan 8.180 nan 0.000 0.484 202 V N -0.191 119.779 119.914 0.095 0.000 2.515 202 V HA -0.284 3.834 4.120 -0.004 0.000 0.250 202 V C 1.844 177.749 176.094 -0.315 0.000 1.058 202 V CA 1.981 64.215 62.300 -0.110 0.000 1.064 202 V CB -0.715 31.041 31.823 -0.110 0.000 0.675 202 V HN 0.309 nan 8.190 nan 0.000 0.461 203 Y N 0.580 120.708 120.300 -0.288 0.000 2.263 203 Y HA -0.159 4.389 4.550 -0.004 0.000 0.292 203 Y C 2.585 178.385 175.900 -0.165 0.000 1.130 203 Y CA 2.076 60.017 58.100 -0.265 0.000 1.179 203 Y CB -0.019 38.139 38.460 -0.503 0.000 0.998 203 Y HN 0.385 nan 8.280 nan 0.000 0.532 204 E N 0.424 120.581 120.200 -0.071 0.000 2.031 204 E HA -0.294 4.054 4.350 -0.004 0.000 0.193 204 E C 2.028 178.575 176.600 -0.088 0.000 0.994 204 E CA 1.599 57.982 56.400 -0.028 0.000 0.800 204 E CB -0.019 29.662 29.700 -0.031 0.000 0.752 204 E HN 0.408 nan 8.360 nan 0.000 0.447 205 E N 0.367 120.328 120.200 -0.397 0.000 2.046 205 E HA -0.157 4.191 4.350 -0.004 0.000 0.190 205 E C 1.782 178.259 176.600 -0.205 0.000 0.982 205 E CA 1.604 57.759 56.400 -0.408 0.000 0.800 205 E CB 0.079 29.177 29.700 -1.004 0.000 0.756 205 E HN 0.245 nan 8.360 nan 0.000 0.449 206 E N -0.588 119.468 120.200 -0.239 0.000 2.364 206 E HA 0.060 4.407 4.350 -0.004 0.000 0.196 206 E C 1.832 178.317 176.600 -0.191 0.000 0.990 206 E CA 0.483 56.794 56.400 -0.147 0.000 0.886 206 E CB 0.842 30.456 29.700 -0.144 0.000 0.866 206 E HN 0.220 nan 8.360 nan 0.000 0.493 207 V N -0.513 119.245 119.914 -0.259 0.000 2.721 207 V HA 0.041 4.158 4.120 -0.004 0.000 0.236 207 V C 1.436 177.305 176.094 -0.375 0.000 1.116 207 V CA 0.696 62.769 62.300 -0.379 0.000 1.148 207 V CB -0.257 31.244 31.823 -0.537 0.000 0.886 207 V HN 0.025 nan 8.190 nan 0.000 0.490 208 F N 0.418 120.395 119.950 0.045 0.000 2.746 208 F HA 0.316 4.840 4.527 -0.004 0.000 0.297 208 F C 1.572 177.341 175.800 -0.051 0.000 1.113 208 F CA 0.264 58.296 58.000 0.054 0.000 1.367 208 F CB -0.164 38.911 39.000 0.125 0.000 1.111 208 F HN 0.048 nan 8.300 nan 0.000 0.590 209 S N 0.584 116.302 115.700 0.030 0.000 3.614 209 S HA 0.002 4.469 4.470 -0.004 0.000 0.360 209 S C 0.034 174.240 174.600 -0.656 0.000 1.023 209 S CA 0.433 58.518 58.200 -0.192 0.000 1.114 209 S CB -1.525 61.618 63.200 -0.096 0.000 0.907 209 S HN 0.662 nan 8.310 nan 0.000 0.470 210 A N -0.560 122.082 122.820 -0.297 0.000 2.586 210 A HA 0.681 4.999 4.320 -0.004 0.000 0.291 210 A C -0.380 177.168 177.584 -0.059 0.000 1.062 210 A CA -0.425 51.450 52.037 -0.269 0.000 0.666 210 A CB 0.259 19.122 19.000 -0.227 0.000 1.281 210 A HN 0.381 nan 8.150 nan 0.000 0.421 211 Y N 1.535 121.653 120.300 -0.304 0.000 2.436 211 Y HA 0.184 4.732 4.550 -0.004 0.000 0.288 211 Y C 1.526 177.127 175.900 -0.498 0.000 1.112 211 Y CA 0.759 58.691 58.100 -0.280 0.000 1.220 211 Y CB -0.041 38.299 38.460 -0.200 0.000 1.073 211 Y HN 0.804 nan 8.280 nan 0.000 0.552 212 S N 0.644 115.801 115.700 -0.905 0.000 2.580 212 S HA 0.546 5.013 4.470 -0.004 0.000 0.274 212 S C 0.233 174.314 174.600 -0.866 0.000 1.329 212 S CA -0.109 57.368 58.200 -1.205 0.000 1.036 212 S CB 1.443 63.459 63.200 -1.972 0.000 0.919 212 S HN 0.459 nan 8.310 nan 0.000 0.515 213 A N 2.321 124.631 122.820 -0.849 0.000 2.992 213 A HA 0.536 4.854 4.320 -0.004 0.000 0.263 213 A C -0.585 176.280 177.584 -1.198 0.000 0.928 213 A CA -0.712 50.747 52.037 -0.963 0.000 1.061 213 A CB -0.590 18.293 19.000 -0.196 0.000 1.173 213 A HN 1.106 nan 8.150 nan 0.000 0.482 214 L N -4.689 115.671 121.223 -1.437 0.000 2.409 214 L HA 0.909 5.246 4.340 -0.004 0.000 0.262 214 L C -1.274 175.047 176.870 -0.915 0.000 0.992 214 L CA -1.240 53.091 54.840 -0.849 0.000 0.817 214 L CB 1.089 42.881 42.059 -0.445 0.000 1.350 214 L HN 0.226 nan 8.230 nan 0.000 0.411 215 W N 1.806 123.143 121.300 0.061 0.000 2.631 215 W HA 0.320 4.978 4.660 -0.004 0.000 0.321 215 W C -1.456 175.304 176.519 0.401 0.000 1.004 215 W CA -0.772 56.737 57.345 0.274 0.000 1.291 215 W CB 1.481 31.153 29.460 0.353 0.000 1.300 215 W HN 0.627 nan 8.180 nan 0.000 0.422 216 W N 2.463 123.970 121.300 0.345 0.000 2.170 216 W HA 0.207 4.865 4.660 -0.004 0.000 0.336 216 W C 1.339 177.706 176.519 -0.254 0.000 1.283 216 W CA 0.381 57.798 57.345 0.119 0.000 1.224 216 W CB 0.796 30.294 29.460 0.064 0.000 1.132 216 W HN 0.184 nan 8.180 nan 0.000 0.571 217 S N 2.464 117.912 115.700 -0.421 0.000 2.614 217 S HA 0.212 4.680 4.470 -0.004 0.000 0.265 217 S C -1.755 172.565 174.600 -0.468 0.000 1.303 217 S CA -1.042 56.313 58.200 -1.407 0.000 1.000 217 S CB 1.077 63.501 63.200 -1.295 0.000 0.935 217 S HN 0.287 nan 8.310 nan 0.000 0.551 218 P HA -0.198 nan 4.420 nan 0.000 0.217 218 P C 0.884 178.139 177.300 -0.074 0.000 1.158 218 P CA 1.888 64.934 63.100 -0.089 0.000 0.887 218 P CB -0.218 31.475 31.700 -0.011 0.000 0.792 219 N N -2.317 116.328 118.700 -0.091 0.000 2.270 219 N HA 0.139 4.877 4.740 -0.004 0.000 0.198 219 N C 1.078 176.511 175.510 -0.129 0.000 1.117 219 N CA 0.563 53.560 53.050 -0.088 0.000 0.845 219 N CB -0.624 37.826 38.487 -0.061 0.000 0.980 219 N HN 0.210 nan 8.380 nan 0.000 0.486 220 G N -1.091 107.637 108.800 -0.119 0.000 2.176 220 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.253 220 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.253 220 G C 0.967 175.900 174.900 0.056 0.000 0.979 220 G CA 0.711 45.754 45.100 -0.096 0.000 0.641 220 G HN 0.368 nan 8.290 nan 0.000 0.530 221 T N 0.050 114.564 114.554 -0.067 0.000 2.737 221 T HA 0.199 4.547 4.350 -0.004 0.000 0.265 221 T C 0.876 175.465 174.700 -0.184 0.000 1.038 221 T CA 1.296 63.271 62.100 -0.208 0.000 1.144 221 T CB -0.101 68.489 68.868 -0.464 0.000 0.866 221 T HN 0.279 nan 8.240 nan 0.000 0.434 222 F N 0.370 120.354 119.950 0.057 0.000 2.432 222 F HA 0.613 5.138 4.527 -0.004 0.000 0.329 222 F C -0.165 175.713 175.800 0.131 0.000 1.076 222 F CA -1.611 56.458 58.000 0.115 0.000 1.018 222 F CB 1.043 40.171 39.000 0.213 0.000 1.201 222 F HN -0.092 nan 8.300 nan 0.000 0.489 223 L N 2.752 124.146 121.223 0.286 0.000 2.372 223 L HA 0.789 5.126 4.340 -0.004 0.000 0.273 223 L C -0.642 176.331 176.870 0.171 0.000 0.989 223 L CA -0.488 54.349 54.840 -0.006 0.000 0.841 223 L CB 0.708 42.481 42.059 -0.475 0.000 1.225 223 L HN 0.656 nan 8.230 nan 0.000 0.414 224 A N 4.556 127.553 122.820 0.296 0.000 2.295 224 A HA 0.835 5.152 4.320 -0.004 0.000 0.318 224 A C -1.378 176.283 177.584 0.128 0.000 1.134 224 A CA -0.173 51.898 52.037 0.057 0.000 0.827 224 A CB 0.665 19.738 19.000 0.122 0.000 1.136 224 A HN 0.967 nan 8.150 nan 0.000 0.493 225 Y N -2.508 117.564 120.300 -0.379 0.000 2.641 225 Y HA 0.696 5.243 4.550 -0.004 0.000 0.333 225 Y C -0.442 175.325 175.900 -0.222 0.000 1.174 225 Y CA -0.849 57.154 58.100 -0.162 0.000 1.057 225 Y CB 0.636 38.958 38.460 -0.230 0.000 1.322 225 Y HN 0.988 nan 8.280 nan 0.000 0.457 226 A N 2.093 125.005 122.820 0.153 0.000 2.320 226 A HA 0.716 5.034 4.320 -0.004 0.000 0.334 226 A C -1.122 176.355 177.584 -0.179 0.000 1.147 226 A CA -0.815 51.159 52.037 -0.105 0.000 0.820 226 A CB 1.716 20.556 19.000 -0.266 0.000 1.218 226 A HN 0.811 nan 8.150 nan 0.000 0.482 227 Q N 1.053 120.674 119.800 -0.298 0.000 2.310 227 Q HA 0.592 4.930 4.340 -0.004 0.000 0.270 227 Q C -2.103 173.718 176.000 -0.299 0.000 1.025 227 Q CA -0.337 55.403 55.803 -0.105 0.000 0.772 227 Q CB 1.031 29.902 28.738 0.223 0.000 1.253 227 Q HN 0.595 nan 8.270 nan 0.000 0.450 228 F N 2.322 122.381 119.950 0.183 0.000 2.469 228 F HA 0.440 4.964 4.527 -0.004 0.000 0.332 228 F C 0.406 176.374 175.800 0.280 0.000 1.103 228 F CA -0.903 57.194 58.000 0.162 0.000 0.979 228 F CB 1.450 40.467 39.000 0.029 0.000 1.137 228 F HN 0.436 nan 8.300 nan 0.000 0.463 229 N N 1.873 120.815 118.700 0.403 0.000 2.483 229 N HA 0.228 4.966 4.740 -0.004 0.000 0.267 229 N C -1.004 174.692 175.510 0.310 0.000 0.998 229 N CA -0.356 52.886 53.050 0.320 0.000 0.918 229 N CB 1.146 39.764 38.487 0.218 0.000 1.215 229 N HN 0.565 nan 8.380 nan 0.000 0.500 230 D N 1.452 122.053 120.400 0.336 0.000 2.424 230 D HA 0.135 4.773 4.640 -0.004 0.000 0.220 230 D C 1.213 177.633 176.300 0.201 0.000 1.150 230 D CA 0.086 54.257 54.000 0.284 0.000 0.831 230 D CB 0.561 41.583 40.800 0.370 0.000 0.981 230 D HN 0.467 nan 8.370 nan 0.000 0.500 231 T N 0.445 115.099 114.554 0.167 0.000 2.653 231 T HA -0.240 4.107 4.350 -0.004 0.000 0.267 231 T C 1.308 176.066 174.700 0.097 0.000 1.037 231 T CA 1.437 63.607 62.100 0.116 0.000 1.159 231 T CB -0.066 68.860 68.868 0.096 0.000 0.859 231 T HN 0.322 nan 8.240 nan 0.000 0.449 232 E N 0.150 120.408 120.200 0.098 0.000 2.501 232 E HA 0.185 4.533 4.350 -0.004 0.000 0.200 232 E C -0.507 176.143 176.600 0.083 0.000 1.016 232 E CA -0.248 56.198 56.400 0.078 0.000 0.921 232 E CB 0.666 30.404 29.700 0.064 0.000 1.034 232 E HN 0.197 nan 8.360 nan 0.000 0.468 233 V N 3.565 123.543 119.914 0.107 0.000 2.470 233 V HA 0.099 4.216 4.120 -0.004 0.000 0.276 233 V C -2.009 174.140 176.094 0.092 0.000 1.040 233 V CA -1.512 60.853 62.300 0.108 0.000 1.008 233 V CB 0.347 32.253 31.823 0.138 0.000 0.990 233 V HN 0.044 nan 8.190 nan 0.000 0.477 234 P HA 0.191 nan 4.420 nan 0.000 0.268 234 P C -0.683 176.649 177.300 0.053 0.000 1.208 234 P CA -0.110 63.023 63.100 0.054 0.000 0.777 234 P CB 0.473 32.201 31.700 0.048 0.000 0.875 235 L N 2.342 123.574 121.223 0.014 0.000 2.309 235 L HA 0.453 4.791 4.340 -0.004 0.000 0.282 235 L C 0.310 177.122 176.870 -0.097 0.000 1.036 235 L CA -0.969 53.861 54.840 -0.018 0.000 0.806 235 L CB 1.041 43.087 42.059 -0.022 0.000 1.220 235 L HN 0.291 nan 8.230 nan 0.000 0.429 236 I N 2.407 122.870 120.570 -0.179 0.000 2.396 236 I HA 0.274 4.442 4.170 -0.004 0.000 0.292 236 I C -0.379 175.589 176.117 -0.250 0.000 0.999 236 I CA 0.149 61.238 61.300 -0.352 0.000 1.310 236 I CB 0.900 38.419 38.000 -0.802 0.000 1.404 236 I HN 0.580 nan 8.210 nan 0.000 0.496 237 E N 7.316 127.390 120.200 -0.210 0.000 2.248 237 E HA 0.547 4.895 4.350 -0.004 0.000 0.267 237 E C -1.790 174.747 176.600 -0.106 0.000 0.877 237 E CA -0.590 55.691 56.400 -0.199 0.000 0.759 237 E CB 2.125 31.734 29.700 -0.152 0.000 1.182 237 E HN 0.577 nan 8.360 nan 0.000 0.418 238 Y N -1.784 118.429 120.300 -0.145 0.000 2.624 238 Y HA 0.558 5.105 4.550 -0.004 0.000 0.334 238 Y C -0.862 174.970 175.900 -0.114 0.000 1.155 238 Y CA -1.225 56.797 58.100 -0.130 0.000 1.046 238 Y CB 0.828 39.218 38.460 -0.117 0.000 1.316 238 Y HN 0.238 nan 8.280 nan 0.000 0.457 239 S N 1.664 117.352 115.700 -0.021 0.000 2.610 239 S HA 0.571 5.038 4.470 -0.004 0.000 0.273 239 S C -1.514 172.951 174.600 -0.224 0.000 1.274 239 S CA -0.445 57.602 58.200 -0.254 0.000 1.023 239 S CB 0.853 63.752 63.200 -0.501 0.000 0.962 239 S HN 0.544 nan 8.310 nan 0.000 0.523 240 F N 1.753 121.433 119.950 -0.450 0.000 2.499 240 F HA 0.431 4.955 4.527 -0.004 0.000 0.333 240 F C -0.358 175.205 175.800 -0.394 0.000 1.138 240 F CA -0.926 56.915 58.000 -0.266 0.000 0.945 240 F CB 0.823 39.785 39.000 -0.063 0.000 1.181 240 F HN 0.641 nan 8.300 nan 0.000 0.435 241 Y N 2.688 122.795 120.300 -0.322 0.000 2.420 241 Y HA 0.119 4.667 4.550 -0.004 0.000 0.292 241 Y C 1.717 177.551 175.900 -0.111 0.000 1.119 241 Y CA 1.067 59.064 58.100 -0.171 0.000 1.229 241 Y CB -0.603 37.747 38.460 -0.183 0.000 1.026 241 Y HN 0.724 nan 8.280 nan 0.000 0.554 242 S N -0.212 115.410 115.700 -0.130 0.000 3.381 242 S HA -0.223 4.244 4.470 -0.004 0.000 0.636 242 S C -0.485 174.161 174.600 0.077 0.000 2.614 242 S CA 0.283 58.544 58.200 0.102 0.000 2.810 242 S CB -1.122 62.230 63.200 0.254 0.000 0.331 242 S HN 0.464 nan 8.310 nan 0.000 1.788 243 D N 1.556 122.017 120.400 0.102 0.000 2.390 243 D HA 0.141 4.779 4.640 -0.004 0.000 0.236 243 D C 1.385 177.718 176.300 0.055 0.000 1.189 243 D CA 0.419 54.461 54.000 0.070 0.000 0.887 243 D CB 0.116 40.959 40.800 0.070 0.000 1.198 243 D HN 0.623 nan 8.370 nan 0.000 0.444 244 E N 0.389 120.610 120.200 0.034 0.000 2.209 244 E HA -0.215 4.132 4.350 -0.004 0.000 0.196 244 E C 1.515 178.128 176.600 0.022 0.000 0.993 244 E CA 1.183 57.595 56.400 0.020 0.000 0.819 244 E CB 0.155 29.859 29.700 0.008 0.000 0.745 244 E HN 0.449 nan 8.360 nan 0.000 0.477 245 S N 0.222 115.940 115.700 0.031 0.000 2.447 245 S HA -0.132 4.336 4.470 -0.004 0.000 0.233 245 S C 0.953 175.576 174.600 0.038 0.000 1.006 245 S CA -0.017 58.201 58.200 0.030 0.000 0.957 245 S CB -0.208 63.012 63.200 0.034 0.000 0.773 245 S HN 0.220 nan 8.310 nan 0.000 0.507 246 L N 2.573 123.828 121.223 0.053 0.000 2.433 246 L HA 0.268 4.606 4.340 -0.004 0.000 0.275 246 L C 1.404 178.301 176.870 0.046 0.000 1.128 246 L CA 0.165 55.045 54.840 0.068 0.000 0.875 246 L CB 0.547 42.661 42.059 0.092 0.000 1.171 246 L HN 0.298 nan 8.230 nan 0.000 0.463 247 Q N 3.967 123.793 119.800 0.042 0.000 2.049 247 Q HA -0.077 4.260 4.340 -0.004 0.000 0.198 247 Q C -0.466 175.437 176.000 -0.163 0.000 0.971 247 Q CA 1.256 57.027 55.803 -0.054 0.000 0.833 247 Q CB 0.109 28.827 28.738 -0.033 0.000 0.896 247 Q HN 0.674 nan 8.270 nan 0.000 0.434 248 Y N 0.822 121.133 120.300 0.019 0.000 2.341 248 Y HA 0.379 4.926 4.550 -0.004 0.000 0.337 248 Y C -2.022 173.882 175.900 0.007 0.000 1.014 248 Y CA -2.839 55.268 58.100 0.011 0.000 1.111 248 Y CB 1.314 39.773 38.460 -0.002 0.000 1.194 248 Y HN 0.175 nan 8.280 nan 0.000 0.462 249 P HA 0.045 nan 4.420 nan 0.000 0.269 249 P C -0.903 176.394 177.300 -0.004 0.000 1.215 249 P CA -0.505 62.597 63.100 0.003 0.000 0.780 249 P CB 0.669 32.315 31.700 -0.090 0.000 0.898 250 K N 1.005 121.383 120.400 -0.036 0.000 2.130 250 K HA 0.355 4.672 4.320 -0.004 0.000 0.268 250 K C -0.740 175.805 176.600 -0.091 0.000 0.983 250 K CA -0.347 55.926 56.287 -0.022 0.000 0.893 250 K CB 0.539 33.061 32.500 0.038 0.000 1.066 250 K HN 0.311 nan 8.250 nan 0.000 0.450 251 T N 3.345 117.834 114.554 -0.109 0.000 2.753 251 T HA 0.202 4.549 4.350 -0.004 0.000 0.297 251 T C -0.535 174.030 174.700 -0.224 0.000 0.981 251 T CA -0.604 61.395 62.100 -0.168 0.000 0.956 251 T CB 0.820 69.606 68.868 -0.135 0.000 0.936 251 T HN 0.295 nan 8.240 nan 0.000 0.463 252 V N 5.772 125.452 119.914 -0.390 0.000 2.530 252 V HA 0.360 4.477 4.120 -0.004 0.000 0.282 252 V C 0.526 176.352 176.094 -0.447 0.000 1.048 252 V CA -0.333 61.690 62.300 -0.462 0.000 0.997 252 V CB 0.585 31.968 31.823 -0.734 0.000 0.987 252 V HN 0.709 nan 8.190 nan 0.000 0.477 253 R N 3.747 124.117 120.500 -0.215 0.000 2.451 253 R HA 0.706 5.044 4.340 -0.004 0.000 0.307 253 R C -1.673 174.618 176.300 -0.016 0.000 0.965 253 R CA -0.580 55.441 56.100 -0.133 0.000 0.865 253 R CB 2.145 32.394 30.300 -0.085 0.000 1.174 253 R HN 0.497 nan 8.270 nan 0.000 0.455 254 V N 4.199 124.102 119.914 -0.018 0.000 2.577 254 V HA 0.324 4.442 4.120 -0.004 0.000 0.303 254 V C -2.373 173.769 176.094 0.079 0.000 1.042 254 V CA -2.442 59.908 62.300 0.084 0.000 0.872 254 V CB 2.298 34.126 31.823 0.008 0.000 0.998 254 V HN 0.592 nan 8.190 nan 0.000 0.423 255 P HA 0.155 nan 4.420 nan 0.000 0.265 255 P C -1.378 176.025 177.300 0.171 0.000 1.222 255 P CA 0.368 63.573 63.100 0.175 0.000 0.767 255 P CB -0.174 31.679 31.700 0.255 0.000 0.801 256 Y N 6.642 126.912 120.300 -0.050 0.000 2.307 256 Y HA 0.372 4.920 4.550 -0.004 0.000 0.323 256 Y C -2.711 173.152 175.900 -0.061 0.000 1.100 256 Y CA -2.893 55.128 58.100 -0.133 0.000 1.140 256 Y CB 1.811 40.060 38.460 -0.351 0.000 1.159 256 Y HN 0.280 nan 8.280 nan 0.000 0.436 257 P HA 0.244 nan 4.420 nan 0.000 0.286 257 P C -0.860 176.498 177.300 0.098 0.000 1.321 257 P CA -0.191 62.951 63.100 0.070 0.000 0.790 257 P CB 1.283 33.005 31.700 0.037 0.000 0.897 258 K N 2.091 122.620 120.400 0.215 0.000 2.120 258 K HA 0.471 4.788 4.320 -0.004 0.000 0.245 258 K C 0.630 177.329 176.600 0.164 0.000 1.024 258 K CA -0.656 55.773 56.287 0.237 0.000 0.906 258 K CB 0.465 33.108 32.500 0.239 0.000 1.051 258 K HN 0.451 nan 8.250 nan 0.000 0.491 259 A N 0.698 123.640 122.820 0.203 0.000 2.566 259 A HA 0.279 4.597 4.320 -0.004 0.000 0.245 259 A C 1.164 178.785 177.584 0.061 0.000 1.056 259 A CA 0.969 53.114 52.037 0.179 0.000 0.757 259 A CB -1.169 18.020 19.000 0.316 0.000 0.979 259 A HN 0.897 nan 8.150 nan 0.000 0.508 260 G N 0.828 109.657 108.800 0.048 0.000 2.179 260 G HA2 0.108 4.065 3.960 -0.004 0.000 0.260 260 G HA3 0.108 4.065 3.960 -0.004 0.000 0.260 260 G C 0.640 175.552 174.900 0.020 0.000 0.977 260 G CA 0.794 45.895 45.100 0.002 0.000 0.641 260 G HN 2.147 nan 8.290 nan 0.000 0.533 261 A N -0.578 122.271 122.820 0.048 0.000 2.240 261 A HA 0.784 5.102 4.320 -0.004 0.000 0.292 261 A C 0.776 178.391 177.584 0.052 0.000 1.121 261 A CA 0.220 52.288 52.037 0.051 0.000 0.851 261 A CB 0.774 19.818 19.000 0.072 0.000 1.167 261 A HN 1.124 nan 8.150 nan 0.000 0.503 262 V N 2.433 122.378 119.914 0.053 0.000 2.485 262 V HA 0.039 4.157 4.120 -0.004 0.000 0.287 262 V C 0.236 176.374 176.094 0.073 0.000 1.022 262 V CA -0.135 62.198 62.300 0.054 0.000 1.067 262 V CB -0.184 31.671 31.823 0.054 0.000 0.967 262 V HN 0.775 nan 8.190 nan 0.000 0.479 263 N N 6.600 125.343 118.700 0.071 0.000 2.463 263 N HA 0.463 5.200 4.740 -0.004 0.000 0.270 263 N C -2.314 173.278 175.510 0.137 0.000 1.205 263 N CA -1.435 51.679 53.050 0.107 0.000 0.974 263 N CB 1.071 39.618 38.487 0.100 0.000 1.197 263 N HN 0.402 nan 8.380 nan 0.000 0.504 264 P HA 0.143 nan 4.420 nan 0.000 0.276 264 P C -0.510 176.954 177.300 0.273 0.000 1.244 264 P CA -0.208 63.050 63.100 0.263 0.000 0.801 264 P CB 0.616 32.522 31.700 0.344 0.000 1.006 265 T N -1.804 112.892 114.554 0.237 0.000 2.948 265 T HA 0.627 4.974 4.350 -0.004 0.000 0.285 265 T C -0.266 174.580 174.700 0.244 0.000 1.019 265 T CA -0.840 61.359 62.100 0.164 0.000 1.013 265 T CB 1.445 70.368 68.868 0.093 0.000 1.117 265 T HN 0.374 nan 8.240 nan 0.000 0.533 266 V N -0.065 119.964 119.914 0.192 0.000 3.049 266 V HA 0.767 4.885 4.120 -0.004 0.000 0.309 266 V C -1.755 174.432 176.094 0.154 0.000 1.148 266 V CA -0.878 61.502 62.300 0.134 0.000 0.990 266 V CB 2.190 34.106 31.823 0.156 0.000 1.039 266 V HN 1.075 nan 8.190 nan 0.000 0.430 267 K N 3.994 124.419 120.400 0.041 0.000 2.477 267 K HA 0.589 4.907 4.320 -0.004 0.000 0.255 267 K C -1.980 174.557 176.600 -0.106 0.000 0.952 267 K CA -0.483 55.797 56.287 -0.010 0.000 0.826 267 K CB 2.811 35.276 32.500 -0.058 0.000 1.331 267 K HN 0.545 nan 8.250 nan 0.000 0.437 268 F N 2.105 121.777 119.950 -0.463 0.000 2.520 268 F HA 0.598 5.123 4.527 -0.004 0.000 0.322 268 F C -1.477 173.827 175.800 -0.828 0.000 1.103 268 F CA -0.687 57.023 58.000 -0.483 0.000 0.926 268 F CB 0.885 39.698 39.000 -0.313 0.000 1.154 268 F HN 0.392 nan 8.300 nan 0.000 0.453 269 F N 3.631 122.832 119.950 -1.248 0.000 2.613 269 F HA 0.758 5.283 4.527 -0.004 0.000 0.314 269 F C -1.036 174.084 175.800 -1.134 0.000 1.075 269 F CA -1.213 56.161 58.000 -1.045 0.000 0.945 269 F CB 2.095 40.430 39.000 -1.110 0.000 1.310 269 F HN 0.133 nan 8.300 nan 0.000 0.467 270 V N 2.411 122.083 119.914 -0.403 0.000 2.623 270 V HA 0.611 4.728 4.120 -0.004 0.000 0.304 270 V C -1.153 175.009 176.094 0.112 0.000 1.054 270 V CA -0.804 61.345 62.300 -0.252 0.000 0.882 270 V CB 1.896 33.374 31.823 -0.575 0.000 1.002 270 V HN 0.625 nan 8.190 nan 0.000 0.424 271 V N 4.268 124.322 119.914 0.233 0.000 2.715 271 V HA 0.540 4.658 4.120 -0.004 0.000 0.310 271 V C -0.115 176.196 176.094 0.362 0.000 1.054 271 V CA -0.651 61.817 62.300 0.280 0.000 0.928 271 V CB 2.074 34.008 31.823 0.185 0.000 1.007 271 V HN 1.010 nan 8.190 nan 0.000 0.437 272 N N 2.967 121.854 118.700 0.313 0.000 2.469 272 N HA 0.147 4.884 4.740 -0.004 0.000 0.239 272 N C 1.254 176.769 175.510 0.008 0.000 1.053 272 N CA 0.326 53.459 53.050 0.138 0.000 0.937 272 N CB 1.129 39.664 38.487 0.080 0.000 1.163 272 N HN 0.896 nan 8.380 nan 0.000 0.509 273 T N 0.271 114.826 114.554 0.002 0.000 2.915 273 T HA -0.117 4.231 4.350 -0.004 0.000 0.269 273 T C 0.995 175.653 174.700 -0.069 0.000 1.071 273 T CA 0.952 63.048 62.100 -0.007 0.000 1.132 273 T CB -0.021 68.936 68.868 0.149 0.000 0.878 273 T HN 0.372 nan 8.240 nan 0.000 0.479 274 D N 1.751 122.090 120.400 -0.103 0.000 2.350 274 D HA -0.022 4.616 4.640 -0.004 0.000 0.216 274 D C 2.184 178.422 176.300 -0.103 0.000 0.968 274 D CA 1.245 55.179 54.000 -0.109 0.000 0.894 274 D CB -0.151 40.563 40.800 -0.143 0.000 0.909 274 D HN 0.704 nan 8.370 nan 0.000 0.520 275 S N -0.813 114.826 115.700 -0.101 0.000 2.556 275 S HA 0.100 4.568 4.470 -0.004 0.000 0.216 275 S C 1.976 176.496 174.600 -0.134 0.000 0.970 275 S CA -0.265 57.888 58.200 -0.079 0.000 0.912 275 S CB -0.144 63.041 63.200 -0.024 0.000 0.790 275 S HN 0.152 nan 8.310 nan 0.000 0.504 276 L N 2.353 123.424 121.223 -0.254 0.000 2.079 276 L HA -0.091 4.247 4.340 -0.004 0.000 0.210 276 L C 2.721 179.246 176.870 -0.574 0.000 1.081 276 L CA 1.605 56.129 54.840 -0.527 0.000 0.752 276 L CB -0.738 40.751 42.059 -0.951 0.000 0.896 276 L HN 0.589 nan 8.230 nan 0.000 0.433 277 S N -2.924 112.563 115.700 -0.356 0.000 2.593 277 S HA 0.065 4.533 4.470 -0.004 0.000 0.217 277 S C 1.524 176.132 174.600 0.012 0.000 0.966 277 S CA 0.322 58.488 58.200 -0.056 0.000 0.914 277 S CB 0.392 63.630 63.200 0.063 0.000 0.776 277 S HN 0.231 nan 8.310 nan 0.000 0.523 278 S N 0.607 116.291 115.700 -0.027 0.000 2.520 278 S HA 0.348 4.816 4.470 -0.004 0.000 0.219 278 S C 0.425 175.037 174.600 0.019 0.000 1.028 278 S CA 0.114 58.318 58.200 0.007 0.000 0.921 278 S CB 0.791 63.990 63.200 -0.001 0.000 0.844 278 S HN 0.650 nan 8.310 nan 0.000 0.495 279 V N 0.186 120.107 119.914 0.013 0.000 2.823 279 V HA 0.595 4.712 4.120 -0.004 0.000 0.312 279 V C 1.187 177.315 176.094 0.058 0.000 1.072 279 V CA -0.335 61.984 62.300 0.032 0.000 0.937 279 V CB 1.126 32.965 31.823 0.028 0.000 1.013 279 V HN 0.242 nan 8.190 nan 0.000 0.430 280 T N -0.943 113.651 114.554 0.066 0.000 2.821 280 T HA -0.038 4.310 4.350 -0.004 0.000 0.267 280 T C 0.806 175.576 174.700 0.116 0.000 1.046 280 T CA 1.750 63.906 62.100 0.093 0.000 1.139 280 T CB -0.361 68.543 68.868 0.060 0.000 0.871 280 T HN 0.792 nan 8.240 nan 0.000 0.454 281 N N 1.220 119.967 118.700 0.079 0.000 2.707 281 N HA 0.526 5.264 4.740 -0.004 0.000 0.249 281 N C -0.899 174.660 175.510 0.082 0.000 1.299 281 N CA -0.263 52.844 53.050 0.096 0.000 0.769 281 N CB 1.083 39.571 38.487 0.002 0.000 1.236 281 N HN 0.570 nan 8.380 nan 0.000 0.524 282 A N 1.570 124.440 122.820 0.084 0.000 2.565 282 A HA 0.227 4.545 4.320 -0.004 0.000 0.237 282 A C 0.364 178.008 177.584 0.100 0.000 1.053 282 A CA 0.433 52.514 52.037 0.072 0.000 0.755 282 A CB -0.201 18.821 19.000 0.037 0.000 0.980 282 A HN 0.506 nan 8.150 nan 0.000 0.506 283 T N 2.973 117.593 114.554 0.111 0.000 2.814 283 T HA 0.278 4.626 4.350 -0.004 0.000 0.297 283 T C 0.466 175.266 174.700 0.167 0.000 0.956 283 T CA 0.152 62.328 62.100 0.127 0.000 1.123 283 T CB 0.497 69.443 68.868 0.131 0.000 0.902 283 T HN 0.541 nan 8.240 nan 0.000 0.528 284 S N 4.125 119.916 115.700 0.152 0.000 2.400 284 S HA 0.256 4.724 4.470 -0.004 0.000 0.295 284 S C 0.465 175.227 174.600 0.270 0.000 1.113 284 S CA -0.743 57.564 58.200 0.180 0.000 1.064 284 S CB -0.141 63.094 63.200 0.059 0.000 0.990 284 S HN 0.438 nan 8.310 nan 0.000 0.502 285 I N 3.823 124.556 120.570 0.272 0.000 2.452 285 I HA 0.164 4.332 4.170 -0.004 0.000 0.287 285 I C 0.735 176.961 176.117 0.182 0.000 1.079 285 I CA 0.015 61.480 61.300 0.275 0.000 1.387 285 I CB 0.325 38.568 38.000 0.406 0.000 1.404 285 I HN 0.641 nan 8.210 nan 0.000 0.522 286 Q N 6.407 126.279 119.800 0.120 0.000 2.259 286 Q HA 0.506 4.844 4.340 -0.004 0.000 0.246 286 Q C -1.118 174.806 176.000 -0.128 0.000 0.920 286 Q CA -0.476 55.188 55.803 -0.232 0.000 0.895 286 Q CB 1.369 29.883 28.738 -0.374 0.000 1.220 286 Q HN 0.573 nan 8.270 nan 0.000 0.439 287 I N 3.826 124.304 120.570 -0.153 0.000 2.390 287 I HA 0.194 4.361 4.170 -0.004 0.000 0.283 287 I C 0.059 176.165 176.117 -0.018 0.000 1.016 287 I CA -0.725 60.568 61.300 -0.011 0.000 1.151 287 I CB 1.602 39.641 38.000 0.065 0.000 1.293 287 I HN 0.706 nan 8.210 nan 0.000 0.458 288 T N 2.968 117.472 114.554 -0.083 0.000 2.913 288 T HA 0.606 4.954 4.350 -0.004 0.000 0.297 288 T C 0.457 174.962 174.700 -0.325 0.000 1.029 288 T CA -0.775 61.218 62.100 -0.178 0.000 1.104 288 T CB 1.536 70.300 68.868 -0.174 0.000 0.964 288 T HN 0.567 nan 8.240 nan 0.000 0.532 289 A N 4.059 126.451 122.820 -0.712 0.000 2.406 289 A HA 0.541 4.859 4.320 -0.004 0.000 0.243 289 A C -1.678 175.440 177.584 -0.777 0.000 1.082 289 A CA -1.460 49.744 52.037 -1.389 0.000 0.786 289 A CB -0.652 17.114 19.000 -2.056 0.000 1.029 289 A HN 0.841 nan 8.150 nan 0.000 0.495 290 P HA 0.151 nan 4.420 nan 0.000 0.272 290 P C 0.698 177.799 177.300 -0.332 0.000 1.230 290 P CA 0.524 63.404 63.100 -0.368 0.000 0.788 290 P CB 0.833 32.380 31.700 -0.255 0.000 0.949 291 A N 2.293 124.986 122.820 -0.210 0.000 1.940 291 A HA -0.193 4.125 4.320 -0.004 0.000 0.219 291 A C 2.237 179.728 177.584 -0.155 0.000 1.176 291 A CA 2.352 54.287 52.037 -0.169 0.000 0.631 291 A CB -1.822 17.110 19.000 -0.113 0.000 0.814 291 A HN 0.682 nan 8.150 nan 0.000 0.446 292 S N -1.170 114.459 115.700 -0.118 0.000 2.465 292 S HA -0.124 4.343 4.470 -0.004 0.000 0.241 292 S C 1.678 176.221 174.600 -0.095 0.000 1.000 292 S CA 1.643 59.805 58.200 -0.064 0.000 0.964 292 S CB -0.306 62.938 63.200 0.073 0.000 0.763 292 S HN 0.436 nan 8.310 nan 0.000 0.512 293 M N 0.485 119.953 119.600 -0.220 0.000 2.615 293 M HA 0.373 4.851 4.480 -0.004 0.000 0.262 293 M C 1.887 177.955 176.300 -0.386 0.000 1.198 293 M CA 0.547 55.651 55.300 -0.327 0.000 1.165 293 M CB -0.953 31.281 32.600 -0.610 0.000 1.310 293 M HN 0.307 nan 8.290 nan 0.000 0.494 294 L N 1.111 122.106 121.223 -0.381 0.000 2.362 294 L HA -0.102 4.236 4.340 -0.004 0.000 0.219 294 L C 2.287 179.103 176.870 -0.090 0.000 1.134 294 L CA 0.573 55.275 54.840 -0.229 0.000 0.807 294 L CB -0.886 41.042 42.059 -0.219 0.000 0.927 294 L HN 0.307 nan 8.230 nan 0.000 0.447 295 I N -2.455 118.060 120.570 -0.093 0.000 2.700 295 I HA 0.076 4.244 4.170 -0.004 0.000 0.261 295 I C 1.062 177.164 176.117 -0.026 0.000 1.219 295 I CA 0.748 62.013 61.300 -0.058 0.000 1.463 295 I CB -0.515 37.443 38.000 -0.070 0.000 1.092 295 I HN 0.120 nan 8.210 nan 0.000 0.452 296 G N 0.040 108.844 108.800 0.008 0.000 2.634 296 G HA2 0.253 4.211 3.960 -0.004 0.000 0.309 296 G HA3 0.253 4.211 3.960 -0.004 0.000 0.309 296 G C -1.800 173.153 174.900 0.090 0.000 1.299 296 G CA -0.572 44.544 45.100 0.027 0.000 0.798 296 G HN 0.017 nan 8.290 nan 0.000 0.490 297 D N 1.179 121.580 120.400 0.003 0.000 2.443 297 D HA 0.421 5.059 4.640 -0.004 0.000 0.239 297 D C 0.371 176.612 176.300 -0.099 0.000 1.136 297 D CA 0.683 54.623 54.000 -0.100 0.000 0.879 297 D CB 0.498 41.207 40.800 -0.150 0.000 1.195 297 D HN 0.551 nan 8.370 nan 0.000 0.443 298 H N -0.941 117.992 119.070 -0.228 0.000 2.933 298 H HA 0.458 5.012 4.556 -0.004 0.000 0.310 298 H C -1.345 173.832 175.328 -0.252 0.000 1.351 298 H CA -0.783 55.133 56.048 -0.220 0.000 1.137 298 H CB 0.453 30.216 29.762 0.003 0.000 1.853 298 H HN 0.311 nan 8.280 nan 0.000 0.539 299 Y N -0.217 120.342 120.300 0.432 0.000 2.581 299 Y HA 0.417 4.965 4.550 -0.004 0.000 0.345 299 Y C -0.588 175.629 175.900 0.527 0.000 1.036 299 Y CA -1.123 57.246 58.100 0.448 0.000 1.042 299 Y CB 1.972 40.559 38.460 0.213 0.000 1.289 299 Y HN 0.490 nan 8.280 nan 0.000 0.471 300 L N 2.737 124.334 121.223 0.622 0.000 2.264 300 L HA 0.454 4.792 4.340 -0.004 0.000 0.289 300 L C 0.345 177.290 176.870 0.126 0.000 1.044 300 L CA -0.312 54.541 54.840 0.021 0.000 0.807 300 L CB 0.532 42.475 42.059 -0.193 0.000 1.192 300 L HN 0.975 nan 8.230 nan 0.000 0.425 301 C N 1.239 120.470 119.300 -0.116 0.000 3.336 301 C HA 0.529 4.987 4.460 -0.004 0.000 0.291 301 C C 0.144 174.962 174.990 -0.286 0.000 1.363 301 C CA -0.459 58.413 59.018 -0.245 0.000 1.737 301 C CB -0.771 26.883 27.740 -0.143 0.000 2.274 301 C HN 0.845 nan 8.230 nan 0.000 0.663 302 D N 0.111 120.379 120.400 -0.219 0.000 2.769 302 D HA 0.424 5.062 4.640 -0.004 0.000 0.219 302 D C -1.895 174.149 176.300 -0.426 0.000 1.245 302 D CA 0.125 54.021 54.000 -0.173 0.000 0.801 302 D CB 2.755 43.438 40.800 -0.195 0.000 1.598 302 D HN 0.046 nan 8.370 nan 0.000 0.485 303 V N 2.289 121.891 119.914 -0.520 0.000 2.623 303 V HA 0.596 4.714 4.120 -0.004 0.000 0.304 303 V C -0.498 175.210 176.094 -0.644 0.000 1.054 303 V CA -0.379 61.369 62.300 -0.920 0.000 0.882 303 V CB 2.015 32.783 31.823 -1.758 0.000 1.002 303 V HN 0.651 nan 8.190 nan 0.000 0.424 304 T N 3.407 117.660 114.554 -0.501 0.000 3.109 304 T HA 0.339 4.686 4.350 -0.004 0.000 0.311 304 T C -0.954 173.608 174.700 -0.230 0.000 1.011 304 T CA -0.495 61.478 62.100 -0.212 0.000 1.026 304 T CB 0.831 69.665 68.868 -0.058 0.000 1.047 304 T HN 0.520 nan 8.240 nan 0.000 0.448 305 W N 1.982 123.217 121.300 -0.107 0.000 2.190 305 W HA 0.493 5.150 4.660 -0.004 0.000 0.330 305 W C 1.132 177.495 176.519 -0.260 0.000 1.299 305 W CA -0.276 56.989 57.345 -0.133 0.000 1.215 305 W CB 0.631 30.102 29.460 0.018 0.000 1.147 305 W HN 0.840 nan 8.180 nan 0.000 0.563 306 A N 1.658 124.347 122.820 -0.218 0.000 1.963 306 A HA 0.231 4.548 4.320 -0.004 0.000 0.207 306 A C 0.792 178.339 177.584 -0.062 0.000 1.243 306 A CA 1.417 53.098 52.037 -0.593 0.000 0.728 306 A CB -0.287 17.900 19.000 -1.356 0.000 0.895 306 A HN 0.528 nan 8.150 nan 0.000 0.467 307 T N -5.486 109.131 114.554 0.104 0.000 2.681 307 T HA 0.342 4.690 4.350 -0.004 0.000 0.296 307 T C 0.081 174.931 174.700 0.250 0.000 1.157 307 T CA -0.380 61.819 62.100 0.164 0.000 1.025 307 T CB 0.722 69.677 68.868 0.145 0.000 1.441 307 T HN -0.057 nan 8.240 nan 0.000 0.504 308 Q N 0.322 120.236 119.800 0.190 0.000 2.291 308 Q HA 0.007 4.345 4.340 -0.004 0.000 0.206 308 Q C 0.749 176.987 176.000 0.397 0.000 0.976 308 Q CA 1.492 57.409 55.803 0.190 0.000 0.875 308 Q CB -0.139 28.681 28.738 0.137 0.000 0.927 308 Q HN 0.827 nan 8.270 nan 0.000 0.450 309 E N -0.189 120.256 120.200 0.408 0.000 2.968 309 E HA 0.210 4.558 4.350 -0.004 0.000 0.202 309 E C -0.330 176.553 176.600 0.472 0.000 0.979 309 E CA -0.170 56.512 56.400 0.470 0.000 1.192 309 E CB 0.957 30.849 29.700 0.320 0.000 1.059 309 E HN -0.034 nan 8.360 nan 0.000 0.470 310 R N 1.610 122.413 120.500 0.504 0.000 2.515 310 R HA 0.500 4.838 4.340 -0.004 0.000 0.291 310 R C -1.812 174.558 176.300 0.116 0.000 1.046 310 R CA -0.438 55.839 56.100 0.295 0.000 0.914 310 R CB 1.275 31.636 30.300 0.101 0.000 1.191 310 R HN 0.101 nan 8.270 nan 0.000 0.435 311 I N 3.038 123.510 120.570 -0.164 0.000 2.689 311 I HA 0.496 4.664 4.170 -0.004 0.000 0.299 311 I C -1.002 174.815 176.117 -0.500 0.000 1.059 311 I CA -0.516 60.400 61.300 -0.640 0.000 1.055 311 I CB 2.262 39.401 38.000 -1.435 0.000 1.243 311 I HN 0.848 nan 8.210 nan 0.000 0.425 312 S N 7.778 123.160 115.700 -0.529 0.000 2.503 312 S HA 0.830 5.298 4.470 -0.004 0.000 0.301 312 S C -0.983 173.300 174.600 -0.528 0.000 1.087 312 S CA -0.696 57.273 58.200 -0.386 0.000 1.042 312 S CB 1.611 64.708 63.200 -0.171 0.000 1.043 312 S HN 0.608 nan 8.310 nan 0.000 0.489 313 L N 0.568 121.487 121.223 -0.507 0.000 2.422 313 L HA 0.674 5.012 4.340 -0.004 0.000 0.264 313 L C -0.838 175.720 176.870 -0.520 0.000 0.984 313 L CA -1.057 53.365 54.840 -0.696 0.000 0.819 313 L CB 1.776 43.207 42.059 -1.048 0.000 1.330 313 L HN 0.619 nan 8.230 nan 0.000 0.410 314 Q N 1.293 120.759 119.800 -0.556 0.000 2.337 314 Q HA 0.530 4.867 4.340 -0.004 0.000 0.266 314 Q C -1.820 173.945 176.000 -0.392 0.000 1.023 314 Q CA -0.458 55.145 55.803 -0.333 0.000 0.829 314 Q CB 2.487 31.085 28.738 -0.234 0.000 1.306 314 Q HN 0.547 nan 8.270 nan 0.000 0.449 315 W N 2.193 123.440 121.300 -0.089 0.000 2.706 315 W HA 0.647 5.305 4.660 -0.004 0.000 0.346 315 W C -0.927 175.617 176.519 0.042 0.000 1.071 315 W CA -0.688 56.654 57.345 -0.005 0.000 1.206 315 W CB 1.171 30.604 29.460 -0.045 0.000 1.413 315 W HN 0.389 nan 8.180 nan 0.000 0.542 316 L N 2.311 123.771 121.223 0.396 0.000 2.436 316 L HA 0.561 4.899 4.340 -0.004 0.000 0.268 316 L C -0.270 176.802 176.870 0.337 0.000 0.974 316 L CA -1.141 53.889 54.840 0.316 0.000 0.826 316 L CB 1.464 43.692 42.059 0.282 0.000 1.291 316 L HN 0.409 nan 8.230 nan 0.000 0.406 317 R N 2.447 123.106 120.500 0.264 0.000 2.594 317 R HA 0.225 4.563 4.340 -0.004 0.000 0.272 317 R C 1.049 177.416 176.300 0.112 0.000 1.074 317 R CA -0.079 56.125 56.100 0.173 0.000 1.105 317 R CB 0.637 31.031 30.300 0.156 0.000 1.008 317 R HN 0.667 nan 8.270 nan 0.000 0.472 318 R N 1.662 122.133 120.500 -0.048 0.000 2.139 318 R HA -0.108 4.230 4.340 -0.004 0.000 0.243 318 R C 0.389 176.744 176.300 0.091 0.000 1.145 318 R CA 1.229 57.285 56.100 -0.073 0.000 0.976 318 R CB 0.136 30.354 30.300 -0.138 0.000 0.866 318 R HN 0.390 nan 8.270 nan 0.000 0.449 319 I N 2.878 123.490 120.570 0.070 0.000 2.278 319 I HA 0.005 4.173 4.170 -0.004 0.000 0.296 319 I C 0.166 176.349 176.117 0.109 0.000 1.121 319 I CA 0.355 61.699 61.300 0.073 0.000 1.267 319 I CB 0.817 38.844 38.000 0.045 0.000 1.447 319 I HN 0.281 nan 8.210 nan 0.000 0.509 320 Q N 4.772 124.638 119.800 0.110 0.000 2.271 320 Q HA -0.071 4.267 4.340 -0.004 0.000 0.206 320 Q C 0.606 176.685 176.000 0.131 0.000 0.860 320 Q CA 0.147 56.025 55.803 0.125 0.000 0.991 320 Q CB -0.351 28.423 28.738 0.060 0.000 1.232 320 Q HN 0.611 nan 8.270 nan 0.000 0.410 321 N N -0.837 117.947 118.700 0.140 0.000 2.238 321 N HA -0.027 4.711 4.740 -0.004 0.000 0.235 321 N C -1.145 174.484 175.510 0.197 0.000 1.209 321 N CA -0.262 52.864 53.050 0.127 0.000 0.879 321 N CB 0.367 38.903 38.487 0.083 0.000 1.136 321 N HN 0.211 nan 8.380 nan 0.000 0.517 322 Y N 1.354 121.683 120.300 0.050 0.000 2.330 322 Y HA 0.502 5.050 4.550 -0.004 0.000 0.324 322 Y C -1.189 174.750 175.900 0.066 0.000 1.093 322 Y CA -0.739 57.389 58.100 0.046 0.000 1.103 322 Y CB 1.435 39.914 38.460 0.032 0.000 1.183 322 Y HN 0.166 nan 8.280 nan 0.000 0.433 323 S N 4.205 119.775 115.700 -0.217 0.000 2.570 323 S HA 0.929 5.397 4.470 -0.004 0.000 0.286 323 S C -1.828 172.637 174.600 -0.226 0.000 1.099 323 S CA -0.757 57.382 58.200 -0.101 0.000 0.913 323 S CB 2.034 65.219 63.200 -0.025 0.000 1.085 323 S HN 0.439 nan 8.310 nan 0.000 0.480 324 V N 2.799 122.680 119.914 -0.056 0.000 2.709 324 V HA 0.566 4.684 4.120 -0.004 0.000 0.308 324 V C -0.580 175.537 176.094 0.037 0.000 1.062 324 V CA -0.660 61.615 62.300 -0.041 0.000 0.901 324 V CB 1.868 33.691 31.823 0.000 0.000 1.003 324 V HN 1.035 nan 8.190 nan 0.000 0.425 325 M N 3.764 123.365 119.600 0.002 0.000 2.167 325 M HA 0.543 5.021 4.480 -0.004 0.000 0.333 325 M C -1.474 174.840 176.300 0.023 0.000 1.030 325 M CA -0.338 54.946 55.300 -0.026 0.000 0.963 325 M CB 1.249 33.781 32.600 -0.113 0.000 1.589 325 M HN 0.601 nan 8.290 nan 0.000 0.431 326 D N 5.269 125.676 120.400 0.011 0.000 2.163 326 D HA 0.535 5.173 4.640 -0.004 0.000 0.248 326 D C -0.881 175.399 176.300 -0.034 0.000 1.035 326 D CA -0.026 53.981 54.000 0.012 0.000 0.872 326 D CB 1.990 42.813 40.800 0.038 0.000 1.183 326 D HN 0.626 nan 8.370 nan 0.000 0.445 327 I N 2.168 122.745 120.570 0.012 0.000 2.410 327 I HA 0.264 4.432 4.170 -0.004 0.000 0.286 327 I C -0.616 175.516 176.117 0.025 0.000 1.009 327 I CA -0.603 60.702 61.300 0.009 0.000 1.111 327 I CB 1.339 39.407 38.000 0.113 0.000 1.262 327 I HN 0.159 nan 8.210 nan 0.000 0.443 328 c N 3.834 122.441 118.600 0.010 0.000 2.351 328 c HA 0.528 5.095 4.570 -0.004 0.000 0.326 328 c C -0.246 174.013 174.090 0.283 0.000 1.272 328 c CA -0.750 55.657 56.329 0.131 0.000 1.650 328 c CB 0.973 43.562 42.510 0.130 0.000 2.257 328 c HN 0.574 nan 8.230 nan 0.000 0.505 329 D N 0.503 121.036 120.400 0.223 0.000 2.185 329 D HA 0.307 4.945 4.640 -0.004 0.000 0.247 329 D C -0.584 175.632 176.300 -0.139 0.000 1.027 329 D CA -0.194 53.882 54.000 0.127 0.000 0.861 329 D CB 0.827 41.654 40.800 0.045 0.000 1.202 329 D HN 0.573 nan 8.370 nan 0.000 0.453 330 Y N 1.704 121.602 120.300 -0.671 0.000 2.442 330 Y HA 0.172 4.720 4.550 -0.004 0.000 0.330 330 Y C -0.071 175.523 175.900 -0.510 0.000 1.129 330 Y CA -0.186 57.192 58.100 -1.203 0.000 1.365 330 Y CB 0.668 38.407 38.460 -1.201 0.000 1.233 330 Y HN 0.163 nan 8.280 nan 0.000 0.529 331 D N 5.726 125.486 120.400 -1.068 0.000 2.443 331 D HA 0.064 4.702 4.640 -0.004 0.000 0.221 331 D C 0.732 176.450 176.300 -0.971 0.000 1.097 331 D CA -0.053 53.516 54.000 -0.720 0.000 0.865 331 D CB 0.675 41.210 40.800 -0.442 0.000 1.034 331 D HN 0.905 nan 8.370 nan 0.000 0.511 332 E N 1.713 121.509 120.200 -0.674 0.000 2.209 332 E HA -0.197 4.150 4.350 -0.004 0.000 0.196 332 E C 1.438 177.905 176.600 -0.221 0.000 0.993 332 E CA 1.130 57.301 56.400 -0.382 0.000 0.819 332 E CB 0.403 30.061 29.700 -0.070 0.000 0.745 332 E HN 0.505 nan 8.360 nan 0.000 0.477 333 S N -0.741 114.834 115.700 -0.209 0.000 2.446 333 S HA -0.059 4.409 4.470 -0.004 0.000 0.225 333 S C 1.951 176.484 174.600 -0.112 0.000 1.016 333 S CA 0.873 59.002 58.200 -0.119 0.000 0.943 333 S CB 0.250 63.395 63.200 -0.092 0.000 0.786 333 S HN 0.225 nan 8.310 nan 0.000 0.508 334 S N -0.301 115.297 115.700 -0.170 0.000 2.512 334 S HA 0.489 4.957 4.470 -0.004 0.000 0.216 334 S C 1.591 176.128 174.600 -0.105 0.000 1.006 334 S CA 0.495 58.626 58.200 -0.115 0.000 0.915 334 S CB -0.257 62.879 63.200 -0.108 0.000 0.824 334 S HN 1.455 nan 8.310 nan 0.000 0.497 335 G N 2.044 110.709 108.800 -0.225 0.000 2.168 335 G HA2 -0.241 3.717 3.960 -0.004 0.000 0.257 335 G HA3 -0.241 3.717 3.960 -0.004 0.000 0.257 335 G C 0.147 175.052 174.900 0.008 0.000 0.997 335 G CA 0.290 45.360 45.100 -0.051 0.000 0.708 335 G HN 0.520 nan 8.290 nan 0.000 0.520 336 R N -1.584 118.798 120.500 -0.196 0.000 2.700 336 R HA 0.672 5.010 4.340 -0.004 0.000 0.253 336 R C -0.652 175.502 176.300 -0.243 0.000 1.091 336 R CA -0.874 55.191 56.100 -0.059 0.000 1.104 336 R CB 0.542 30.827 30.300 -0.026 0.000 1.202 336 R HN 0.192 nan 8.270 nan 0.000 0.532 337 W N 0.346 121.660 121.300 0.023 0.000 2.532 337 W HA 0.409 5.067 4.660 -0.004 0.000 0.321 337 W C -0.346 176.160 176.519 -0.022 0.000 1.037 337 W CA -0.374 56.978 57.345 0.011 0.000 1.220 337 W CB 1.115 30.582 29.460 0.012 0.000 1.361 337 W HN 0.395 nan 8.180 nan 0.000 0.468 338 N N 2.150 120.929 118.700 0.131 0.000 2.314 338 N HA 0.556 5.294 4.740 -0.004 0.000 0.294 338 N C -1.558 173.998 175.510 0.077 0.000 1.029 338 N CA -0.698 52.393 53.050 0.068 0.000 0.845 338 N CB 1.346 39.832 38.487 -0.003 0.000 1.321 338 N HN 0.186 nan 8.380 nan 0.000 0.481 339 c N 2.863 121.494 118.600 0.051 0.000 2.258 339 c HA 0.386 4.953 4.570 -0.004 0.000 0.321 339 c C 0.384 174.480 174.090 0.011 0.000 1.168 339 c CA -1.119 55.231 56.329 0.036 0.000 1.531 339 c CB -1.268 41.255 42.510 0.022 0.000 2.095 339 c HN 0.612 nan 8.230 nan 0.000 0.449 340 L N 2.762 123.994 121.223 0.014 0.000 2.462 340 L HA 0.049 4.386 4.340 -0.004 0.000 0.272 340 L C 1.667 178.529 176.870 -0.013 0.000 1.166 340 L CA 0.245 55.084 54.840 -0.001 0.000 0.880 340 L CB 0.651 42.714 42.059 0.006 0.000 1.142 340 L HN 0.691 nan 8.230 nan 0.000 0.473 341 V N 4.379 124.277 119.914 -0.026 0.000 2.568 341 V HA -0.281 3.837 4.120 -0.004 0.000 0.253 341 V C 2.201 178.261 176.094 -0.057 0.000 1.072 341 V CA 2.209 64.484 62.300 -0.042 0.000 1.084 341 V CB -0.083 31.715 31.823 -0.041 0.000 0.676 341 V HN 0.984 nan 8.190 nan 0.000 0.469 342 A N -0.291 122.502 122.820 -0.045 0.000 2.209 342 A HA -0.019 4.299 4.320 -0.004 0.000 0.212 342 A C 2.128 179.666 177.584 -0.076 0.000 1.158 342 A CA 1.142 53.145 52.037 -0.056 0.000 0.742 342 A CB -0.418 18.564 19.000 -0.031 0.000 0.790 342 A HN 0.650 nan 8.150 nan 0.000 0.472 343 R N -0.916 119.552 120.500 -0.054 0.000 2.472 343 R HA 0.161 4.499 4.340 -0.004 0.000 0.279 343 R C 0.372 176.626 176.300 -0.075 0.000 0.953 343 R CA -0.164 55.930 56.100 -0.009 0.000 1.088 343 R CB 0.272 30.627 30.300 0.090 0.000 1.197 343 R HN 0.572 nan 8.270 nan 0.000 0.536 344 Q N 1.141 120.837 119.800 -0.174 0.000 2.286 344 Q HA 0.094 4.432 4.340 -0.004 0.000 0.257 344 Q C -0.921 174.875 176.000 -0.340 0.000 0.941 344 Q CA -0.062 55.656 55.803 -0.143 0.000 0.912 344 Q CB 0.718 29.402 28.738 -0.090 0.000 1.192 344 Q HN 0.250 nan 8.270 nan 0.000 0.410 345 H N 4.514 123.579 119.070 -0.008 0.000 2.505 345 H HA 0.383 4.937 4.556 -0.004 0.000 0.338 345 H C -0.545 174.745 175.328 -0.063 0.000 1.057 345 H CA -0.537 55.508 56.048 -0.005 0.000 1.202 345 H CB 1.127 30.884 29.762 -0.008 0.000 1.466 345 H HN 0.581 nan 8.280 nan 0.000 0.499 346 I N 2.061 122.640 120.570 0.014 0.000 2.392 346 I HA 0.154 4.322 4.170 -0.004 0.000 0.295 346 I C 0.278 176.347 176.117 -0.080 0.000 0.985 346 I CA -0.148 61.076 61.300 -0.126 0.000 1.221 346 I CB 1.517 39.426 38.000 -0.151 0.000 1.366 346 I HN 0.515 nan 8.210 nan 0.000 0.467 347 E N 8.307 128.403 120.200 -0.172 0.000 2.373 347 E HA 0.404 4.752 4.350 -0.004 0.000 0.251 347 E C -1.178 175.353 176.600 -0.116 0.000 0.923 347 E CA -0.612 55.743 56.400 -0.075 0.000 0.798 347 E CB 1.129 30.810 29.700 -0.032 0.000 1.303 347 E HN 0.606 nan 8.360 nan 0.000 0.412 348 M N 1.095 120.663 119.600 -0.053 0.000 2.761 348 M HA 0.674 5.152 4.480 -0.004 0.000 0.305 348 M C -0.843 175.479 176.300 0.036 0.000 1.235 348 M CA -0.923 54.386 55.300 0.016 0.000 0.850 348 M CB 2.173 34.851 32.600 0.131 0.000 1.744 348 M HN 0.233 nan 8.290 nan 0.000 0.480 349 S N -0.438 115.286 115.700 0.041 0.000 2.538 349 S HA 0.532 5.000 4.470 -0.004 0.000 0.288 349 S C 0.354 174.953 174.600 -0.002 0.000 1.108 349 S CA -0.029 58.173 58.200 0.002 0.000 0.971 349 S CB 1.758 64.927 63.200 -0.053 0.000 1.041 349 S HN 0.905 nan 8.310 nan 0.000 0.483 350 T N -0.098 114.452 114.554 -0.007 0.000 3.037 350 T HA 0.040 4.388 4.350 -0.004 0.000 0.252 350 T C 1.544 176.226 174.700 -0.030 0.000 1.073 350 T CA 1.009 63.105 62.100 -0.007 0.000 1.091 350 T CB -0.527 68.343 68.868 0.003 0.000 0.935 350 T HN 0.671 nan 8.240 nan 0.000 0.488 351 T N -1.864 112.667 114.554 -0.038 0.000 3.037 351 T HA 0.592 4.940 4.350 -0.004 0.000 0.252 351 T C 1.189 175.740 174.700 -0.248 0.000 1.073 351 T CA 0.394 62.474 62.100 -0.034 0.000 1.091 351 T CB 0.287 69.208 68.868 0.089 0.000 0.935 351 T HN 0.632 nan 8.240 nan 0.000 0.488 352 G N 0.316 108.780 108.800 -0.559 0.000 2.791 352 G HA2 0.485 4.443 3.960 -0.004 0.000 0.158 352 G HA3 0.485 4.443 3.960 -0.004 0.000 0.158 352 G C -1.530 173.072 174.900 -0.497 0.000 1.193 352 G CA -0.550 43.975 45.100 -0.958 0.000 1.032 352 G HN 0.483 nan 8.290 nan 0.000 0.557 353 W N -0.245 120.765 121.300 -0.483 0.000 2.365 353 W HA 0.768 5.426 4.660 -0.004 0.000 0.410 353 W C -0.463 175.996 176.519 -0.100 0.000 1.634 353 W CA -1.267 55.941 57.345 -0.227 0.000 1.761 353 W CB 0.558 29.861 29.460 -0.262 0.000 1.485 353 W HN 0.262 nan 8.180 nan 0.000 0.706 354 V N 2.628 122.636 119.914 0.157 0.000 2.394 354 V HA 0.739 4.857 4.120 -0.004 0.000 0.282 354 V C 0.660 176.846 176.094 0.154 0.000 1.031 354 V CA 0.286 62.633 62.300 0.078 0.000 0.881 354 V CB 0.102 31.964 31.823 0.064 0.000 0.982 354 V HN 1.283 nan 8.190 nan 0.000 0.451 355 G N 5.150 114.000 108.800 0.083 0.000 2.756 355 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.678 355 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.678 355 G C 0.264 175.267 174.900 0.171 0.000 1.349 355 G CA 0.082 45.252 45.100 0.116 0.000 0.847 355 G HN 0.621 nan 8.290 nan 0.000 0.548 356 R N -0.817 119.760 120.500 0.129 0.000 2.057 356 R HA 0.151 4.488 4.340 -0.004 0.000 0.229 356 R C 1.871 178.127 176.300 -0.073 0.000 1.136 356 R CA 2.086 58.204 56.100 0.031 0.000 0.952 356 R CB -0.085 30.219 30.300 0.006 0.000 0.848 356 R HN 0.458 nan 8.270 nan 0.000 0.430 357 F N -0.933 119.153 119.950 0.227 0.000 2.831 357 F HA 0.275 4.799 4.527 -0.004 0.000 0.334 357 F C 0.367 176.188 175.800 0.036 0.000 1.071 357 F CA -0.403 57.671 58.000 0.124 0.000 1.172 357 F CB 0.801 39.873 39.000 0.121 0.000 1.054 357 F HN -0.100 nan 8.300 nan 0.000 0.572 358 R N -0.802 119.825 120.500 0.213 0.000 2.753 358 R HA 0.347 4.685 4.340 -0.004 0.000 0.272 358 R C -3.449 172.904 176.300 0.089 0.000 1.034 358 R CA -1.607 54.549 56.100 0.093 0.000 0.869 358 R CB 0.401 30.711 30.300 0.017 0.000 1.264 358 R HN -0.319 nan 8.270 nan 0.000 0.481 359 P HA -0.014 nan 4.420 nan 0.000 0.264 359 P C -0.221 177.093 177.300 0.023 0.000 1.183 359 P CA 0.165 63.281 63.100 0.027 0.000 0.763 359 P CB 0.727 32.419 31.700 -0.013 0.000 0.807 360 S N 1.855 117.580 115.700 0.042 0.000 2.584 360 S HA 0.155 4.623 4.470 -0.004 0.000 0.270 360 S C 0.226 174.834 174.600 0.014 0.000 1.346 360 S CA -0.676 57.563 58.200 0.064 0.000 1.018 360 S CB 0.363 63.622 63.200 0.099 0.000 0.899 360 S HN 0.522 nan 8.310 nan 0.000 0.542 361 E N 1.322 121.548 120.200 0.044 0.000 2.313 361 E HA 0.432 4.780 4.350 -0.004 0.000 0.272 361 E C -2.830 173.742 176.600 -0.047 0.000 1.038 361 E CA -2.443 53.934 56.400 -0.037 0.000 0.863 361 E CB 0.414 30.097 29.700 -0.030 0.000 1.060 361 E HN 0.452 nan 8.360 nan 0.000 0.402 362 P HA 0.255 nan 4.420 nan 0.000 0.281 362 P C -0.754 176.397 177.300 -0.247 0.000 1.249 362 P CA -0.346 62.568 63.100 -0.309 0.000 0.810 362 P CB 0.826 31.951 31.700 -0.960 0.000 1.008 363 H N 1.853 120.899 119.070 -0.039 0.000 2.762 363 H HA 0.289 4.843 4.556 -0.004 0.000 0.310 363 H C -0.332 175.109 175.328 0.188 0.000 1.004 363 H CA -0.338 55.800 56.048 0.151 0.000 1.267 363 H CB 0.327 30.211 29.762 0.203 0.000 1.437 363 H HN 0.298 nan 8.280 nan 0.000 0.498 364 F N 1.819 121.952 119.950 0.305 0.000 2.389 364 F HA 0.072 4.597 4.527 -0.004 0.000 0.337 364 F C 1.621 177.619 175.800 0.329 0.000 1.112 364 F CA -0.492 57.704 58.000 0.327 0.000 1.192 364 F CB 0.917 40.045 39.000 0.214 0.000 1.185 364 F HN 0.356 nan 8.300 nan 0.000 0.552 365 T N 0.537 115.400 114.554 0.514 0.000 2.860 365 T HA 0.132 4.480 4.350 -0.004 0.000 0.299 365 T C 1.144 176.041 174.700 0.329 0.000 1.045 365 T CA -0.813 61.526 62.100 0.398 0.000 1.071 365 T CB 0.828 69.918 68.868 0.370 0.000 0.985 365 T HN 0.597 nan 8.240 nan 0.000 0.537 366 L N 1.515 122.885 121.223 0.246 0.000 2.034 366 L HA -0.169 4.168 4.340 -0.004 0.000 0.217 366 L C 2.100 179.081 176.870 0.184 0.000 1.077 366 L CA 2.657 57.614 54.840 0.195 0.000 0.769 366 L CB -1.143 41.007 42.059 0.150 0.000 0.890 366 L HN 0.973 nan 8.230 nan 0.000 0.435 367 D N -1.257 119.252 120.400 0.182 0.000 2.378 367 D HA 0.055 4.692 4.640 -0.004 0.000 0.227 367 D C 1.615 178.024 176.300 0.182 0.000 1.012 367 D CA 0.772 54.868 54.000 0.161 0.000 0.905 367 D CB -0.709 40.175 40.800 0.140 0.000 0.895 367 D HN 0.510 nan 8.370 nan 0.000 0.532 368 G N 0.573 109.519 108.800 0.244 0.000 2.168 368 G HA2 -0.352 3.605 3.960 -0.004 0.000 0.257 368 G HA3 -0.352 3.605 3.960 -0.004 0.000 0.257 368 G C 0.832 175.926 174.900 0.324 0.000 0.997 368 G CA 0.424 45.692 45.100 0.280 0.000 0.708 368 G HN 0.401 nan 8.290 nan 0.000 0.520 369 N N 0.004 118.869 118.700 0.275 0.000 2.280 369 N HA 0.205 4.942 4.740 -0.004 0.000 0.192 369 N C 0.812 176.428 175.510 0.177 0.000 1.109 369 N CA 1.029 54.208 53.050 0.215 0.000 0.855 369 N CB 0.568 39.139 38.487 0.140 0.000 0.974 369 N HN 0.874 nan 8.380 nan 0.000 0.482 370 S N -0.372 115.461 115.700 0.222 0.000 2.596 370 S HA 0.771 5.239 4.470 -0.004 0.000 0.270 370 S C -1.010 173.634 174.600 0.073 0.000 1.155 370 S CA -0.979 57.198 58.200 -0.039 0.000 0.827 370 S CB 1.791 64.881 63.200 -0.184 0.000 1.130 370 S HN 0.111 nan 8.310 nan 0.000 0.467 371 F N -1.949 117.818 119.950 -0.305 0.000 2.693 371 F HA 0.819 5.343 4.527 -0.004 0.000 0.309 371 F C -2.222 173.397 175.800 -0.302 0.000 1.129 371 F CA -1.536 56.250 58.000 -0.356 0.000 0.948 371 F CB 0.527 38.922 39.000 -1.008 0.000 1.315 371 F HN 0.598 nan 8.300 nan 0.000 0.447 372 Y N 1.232 121.698 120.300 0.277 0.000 2.409 372 Y HA 0.709 5.257 4.550 -0.004 0.000 0.339 372 Y C -0.175 175.888 175.900 0.272 0.000 1.033 372 Y CA -0.905 57.343 58.100 0.246 0.000 1.094 372 Y CB 2.101 40.651 38.460 0.149 0.000 1.210 372 Y HN 0.757 nan 8.280 nan 0.000 0.456 373 K N 2.688 123.308 120.400 0.367 0.000 2.523 373 K HA 0.549 4.866 4.320 -0.004 0.000 0.257 373 K C -1.755 174.975 176.600 0.215 0.000 0.932 373 K CA -0.566 55.881 56.287 0.268 0.000 0.812 373 K CB 1.659 34.261 32.500 0.171 0.000 1.326 373 K HN 0.726 nan 8.250 nan 0.000 0.433 374 I N 6.154 126.824 120.570 0.167 0.000 2.416 374 I HA 0.299 4.467 4.170 -0.004 0.000 0.288 374 I C 0.103 176.305 176.117 0.142 0.000 1.051 374 I CA -0.423 60.958 61.300 0.135 0.000 1.375 374 I CB 0.477 38.539 38.000 0.104 0.000 1.407 374 I HN 0.496 nan 8.210 nan 0.000 0.516 375 I N 1.903 122.584 120.570 0.185 0.000 2.994 375 I HA 0.436 4.604 4.170 -0.004 0.000 0.306 375 I C -0.325 175.919 176.117 0.213 0.000 1.195 375 I CA -0.823 60.589 61.300 0.187 0.000 1.001 375 I CB 2.118 40.245 38.000 0.211 0.000 1.244 375 I HN 0.352 nan 8.210 nan 0.000 0.437 376 S N 2.950 118.712 115.700 0.103 0.000 2.510 376 S HA 0.211 4.678 4.470 -0.004 0.000 0.279 376 S C 0.074 174.711 174.600 0.062 0.000 1.284 376 S CA -0.428 57.776 58.200 0.006 0.000 1.059 376 S CB -0.338 62.811 63.200 -0.085 0.000 0.901 376 S HN 0.811 nan 8.310 nan 0.000 0.491 377 N N 4.025 122.659 118.700 -0.110 0.000 2.374 377 N HA 0.156 4.893 4.740 -0.004 0.000 0.284 377 N C 0.738 176.145 175.510 -0.172 0.000 1.280 377 N CA -0.267 52.579 53.050 -0.340 0.000 0.963 377 N CB -0.187 37.726 38.487 -0.956 0.000 1.141 377 N HN 0.680 nan 8.380 nan 0.000 0.565 378 E N -0.776 119.313 120.200 -0.186 0.000 2.204 378 E HA -0.156 4.192 4.350 -0.004 0.000 0.195 378 E C 0.697 177.238 176.600 -0.099 0.000 0.990 378 E CA 1.041 57.381 56.400 -0.100 0.000 0.821 378 E CB -0.147 29.502 29.700 -0.084 0.000 0.750 378 E HN 0.648 nan 8.360 nan 0.000 0.477 379 E N -0.560 119.576 120.200 -0.107 0.000 2.489 379 E HA 0.045 4.393 4.350 -0.004 0.000 0.193 379 E C 0.985 177.525 176.600 -0.100 0.000 1.057 379 E CA 0.294 56.671 56.400 -0.038 0.000 0.866 379 E CB 0.609 30.351 29.700 0.069 0.000 0.916 379 E HN 0.367 nan 8.360 nan 0.000 0.500 380 G N 0.918 109.613 108.800 -0.175 0.000 2.175 380 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.244 380 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.244 380 G C -0.293 174.322 174.900 -0.475 0.000 0.982 380 G CA -0.170 44.729 45.100 -0.335 0.000 0.641 380 G HN 0.220 nan 8.290 nan 0.000 0.527 381 Y N 0.659 120.822 120.300 -0.228 0.000 2.323 381 Y HA 0.632 5.179 4.550 -0.004 0.000 0.331 381 Y C 1.210 176.928 175.900 -0.303 0.000 1.092 381 Y CA -0.811 57.130 58.100 -0.264 0.000 1.150 381 Y CB 0.938 39.249 38.460 -0.248 0.000 1.200 381 Y HN 0.065 nan 8.280 nan 0.000 0.472 382 R N 3.822 124.179 120.500 -0.239 0.000 2.296 382 R HA 0.241 4.578 4.340 -0.004 0.000 0.323 382 R C -0.757 175.250 176.300 -0.487 0.000 1.067 382 R CA -0.027 55.940 56.100 -0.223 0.000 0.946 382 R CB 0.062 30.286 30.300 -0.128 0.000 0.991 382 R HN 0.649 nan 8.270 nan 0.000 0.448 383 H N 1.757 120.810 119.070 -0.028 0.000 2.894 383 H HA 0.332 4.886 4.556 -0.004 0.000 0.368 383 H C -0.073 175.323 175.328 0.113 0.000 1.181 383 H CA -0.977 55.036 56.048 -0.059 0.000 1.146 383 H CB 1.633 31.271 29.762 -0.207 0.000 1.839 383 H HN 0.327 nan 8.280 nan 0.000 0.557 384 I N 1.346 121.998 120.570 0.137 0.000 2.452 384 I HA 0.017 4.185 4.170 -0.004 0.000 0.287 384 I C 0.372 176.526 176.117 0.063 0.000 1.079 384 I CA 0.190 61.535 61.300 0.077 0.000 1.387 384 I CB 0.264 38.227 38.000 -0.061 0.000 1.404 384 I HN 0.139 nan 8.210 nan 0.000 0.522 385 c N 7.390 125.967 118.600 -0.038 0.000 2.351 385 c HA 0.396 4.964 4.570 -0.004 0.000 0.326 385 c C -0.332 173.644 174.090 -0.190 0.000 1.272 385 c CA -0.496 55.593 56.329 -0.401 0.000 1.650 385 c CB 0.684 42.697 42.510 -0.828 0.000 2.257 385 c HN 0.630 nan 8.230 nan 0.000 0.505 386 Y N 4.988 124.987 120.300 -0.503 0.000 2.341 386 Y HA 0.632 5.180 4.550 -0.004 0.000 0.340 386 Y C -0.955 174.531 175.900 -0.690 0.000 0.997 386 Y CA -0.839 56.906 58.100 -0.592 0.000 1.149 386 Y CB 0.224 38.395 38.460 -0.482 0.000 1.171 386 Y HN 0.638 nan 8.280 nan 0.000 0.494 387 F N 3.960 123.170 119.950 -1.233 0.000 2.480 387 F HA 0.409 4.934 4.527 -0.004 0.000 0.329 387 F C -0.113 174.898 175.800 -1.315 0.000 1.091 387 F CA -1.003 56.215 58.000 -1.305 0.000 0.972 387 F CB 1.656 39.514 39.000 -1.902 0.000 1.150 387 F HN 0.312 nan 8.300 nan 0.000 0.467 388 Q N 2.444 121.875 119.800 -0.616 0.000 2.257 388 Q HA 0.328 4.665 4.340 -0.004 0.000 0.255 388 Q C 0.848 176.771 176.000 -0.129 0.000 0.920 388 Q CA -0.235 55.338 55.803 -0.383 0.000 0.927 388 Q CB 1.375 29.966 28.738 -0.245 0.000 1.229 388 Q HN 0.694 nan 8.270 nan 0.000 0.433 389 I N -0.208 120.382 120.570 0.034 0.000 2.530 389 I HA -0.108 4.059 4.170 -0.004 0.000 0.257 389 I C 0.372 176.694 176.117 0.342 0.000 1.179 389 I CA 1.439 62.929 61.300 0.317 0.000 1.440 389 I CB -0.044 38.182 38.000 0.377 0.000 1.087 389 I HN 0.466 nan 8.210 nan 0.000 0.440 390 D N 0.707 121.201 120.400 0.155 0.000 2.593 390 D HA 0.230 4.867 4.640 -0.004 0.000 0.241 390 D C -0.193 176.123 176.300 0.028 0.000 1.257 390 D CA -0.366 53.680 54.000 0.077 0.000 0.828 390 D CB 0.025 40.853 40.800 0.046 0.000 1.049 390 D HN 0.401 nan 8.370 nan 0.000 0.490 391 K N 0.356 120.794 120.400 0.063 0.000 2.443 391 K HA 0.297 4.615 4.320 -0.004 0.000 0.252 391 K C 0.485 177.134 176.600 0.082 0.000 0.933 391 K CA -0.864 55.430 56.287 0.012 0.000 0.792 391 K CB 2.344 34.816 32.500 -0.047 0.000 1.185 391 K HN -0.320 nan 8.250 nan 0.000 0.425 392 K N 0.559 120.968 120.400 0.015 0.000 2.167 392 K HA 0.031 4.348 4.320 -0.004 0.000 0.203 392 K C 0.044 176.666 176.600 0.035 0.000 1.052 392 K CA 1.069 57.393 56.287 0.061 0.000 0.956 392 K CB 0.080 32.574 32.500 -0.010 0.000 0.735 392 K HN 0.585 nan 8.250 nan 0.000 0.451 393 D N 1.277 121.631 120.400 -0.075 0.000 2.304 393 D HA 0.056 4.693 4.640 -0.004 0.000 0.250 393 D C 0.438 176.511 176.300 -0.377 0.000 1.107 393 D CA -0.144 53.748 54.000 -0.180 0.000 0.885 393 D CB 1.082 41.801 40.800 -0.135 0.000 1.192 393 D HN 0.182 nan 8.370 nan 0.000 0.436 394 c N 0.362 118.575 118.600 -0.645 0.000 2.423 394 c HA 0.811 5.379 4.570 -0.004 0.000 0.378 394 c C 0.172 173.864 174.090 -0.663 0.000 1.244 394 c CA -0.621 55.108 56.329 -1.000 0.000 1.978 394 c CB 1.179 42.425 42.510 -2.108 0.000 2.252 394 c HN 0.470 nan 8.230 nan 0.000 0.526 395 T N 1.681 115.890 114.554 -0.575 0.000 2.786 395 T HA 0.481 4.828 4.350 -0.004 0.000 0.283 395 T C -0.747 173.746 174.700 -0.345 0.000 0.992 395 T CA 0.161 62.076 62.100 -0.308 0.000 0.954 395 T CB 0.315 69.137 68.868 -0.077 0.000 0.934 395 T HN 0.477 nan 8.240 nan 0.000 0.440 396 F N 3.245 123.079 119.950 -0.194 0.000 2.495 396 F HA 0.262 4.787 4.527 -0.004 0.000 0.365 396 F C 1.646 177.279 175.800 -0.278 0.000 1.090 396 F CA -0.765 57.110 58.000 -0.209 0.000 1.235 396 F CB 0.490 39.369 39.000 -0.202 0.000 1.119 396 F HN 0.584 nan 8.300 nan 0.000 0.562 397 I N -0.570 119.883 120.570 -0.195 0.000 4.018 397 I HA 0.250 4.418 4.170 -0.004 0.000 0.337 397 I C 0.090 176.026 176.117 -0.302 0.000 1.327 397 I CA 0.091 61.073 61.300 -0.531 0.000 1.100 397 I CB 0.001 37.414 38.000 -0.978 0.000 1.025 397 I HN 0.502 nan 8.210 nan 0.000 0.396 398 T N -0.047 114.395 114.554 -0.188 0.000 2.896 398 T HA 0.702 5.050 4.350 -0.004 0.000 0.297 398 T C -0.745 173.591 174.700 -0.607 0.000 1.108 398 T CA -0.696 61.277 62.100 -0.211 0.000 1.004 398 T CB 2.742 71.566 68.868 -0.074 0.000 1.159 398 T HN 0.491 nan 8.240 nan 0.000 0.499 399 K N -0.313 119.527 120.400 -0.933 0.000 2.615 399 K HA 0.780 5.098 4.320 -0.004 0.000 0.291 399 K C -0.513 175.385 176.600 -1.171 0.000 1.017 399 K CA -0.864 54.543 56.287 -1.467 0.000 0.882 399 K CB 1.281 33.348 32.500 -0.721 0.000 1.522 399 K HN 1.664 nan 8.250 nan 0.000 0.412 400 G N -0.138 108.044 108.800 -1.030 0.000 2.351 400 G HA2 0.103 4.060 3.960 -0.004 0.000 0.353 400 G HA3 0.103 4.060 3.960 -0.004 0.000 0.353 400 G C -0.802 173.540 174.900 -0.930 0.000 1.358 400 G CA -0.364 44.304 45.100 -0.720 0.000 0.995 400 G HN 0.982 nan 8.290 nan 0.000 0.611 401 T N -0.378 113.778 114.554 -0.662 0.000 4.058 401 T HA 0.564 4.912 4.350 -0.004 0.000 0.252 401 T C 0.220 174.652 174.700 -0.448 0.000 1.264 401 T CA 0.449 61.918 62.100 -1.051 0.000 1.094 401 T CB -0.921 67.634 68.868 -0.522 0.000 1.316 401 T HN 1.429 nan 8.240 nan 0.000 0.872 402 W N -0.320 120.752 121.300 -0.379 0.000 2.895 402 W HA 0.652 5.310 4.660 -0.004 0.000 0.377 402 W C -1.463 175.052 176.519 -0.008 0.000 1.191 402 W CA -0.996 56.316 57.345 -0.055 0.000 1.179 402 W CB 0.655 30.082 29.460 -0.055 0.000 1.469 402 W HN 0.178 nan 8.180 nan 0.000 0.577 403 E N 0.645 121.039 120.200 0.323 0.000 2.367 403 E HA 0.453 4.801 4.350 -0.004 0.000 0.273 403 E C -1.272 175.449 176.600 0.202 0.000 0.903 403 E CA -1.166 55.226 56.400 -0.013 0.000 0.764 403 E CB 3.362 33.083 29.700 0.034 0.000 1.252 403 E HN 0.149 nan 8.360 nan 0.000 0.446 404 V N 3.567 123.468 119.914 -0.022 0.000 2.488 404 V HA 0.020 4.138 4.120 -0.004 0.000 0.277 404 V C 1.178 177.361 176.094 0.148 0.000 1.046 404 V CA -0.025 62.357 62.300 0.137 0.000 0.986 404 V CB 0.624 32.428 31.823 -0.032 0.000 0.989 404 V HN 0.686 nan 8.190 nan 0.000 0.475 405 I N 3.216 123.904 120.570 0.196 0.000 2.400 405 I HA 0.240 4.408 4.170 -0.004 0.000 0.248 405 I C 1.116 177.346 176.117 0.188 0.000 1.109 405 I CA 1.241 62.648 61.300 0.178 0.000 1.425 405 I CB -0.744 37.306 38.000 0.083 0.000 1.094 405 I HN 0.747 nan 8.210 nan 0.000 0.425 406 G N 0.573 109.487 108.800 0.191 0.000 2.632 406 G HA2 0.542 4.500 3.960 -0.004 0.000 0.292 406 G HA3 0.542 4.500 3.960 -0.004 0.000 0.292 406 G C -1.361 173.639 174.900 0.167 0.000 1.465 406 G CA -0.556 44.652 45.100 0.179 0.000 0.824 406 G HN -0.042 nan 8.290 nan 0.000 0.509 407 I N 1.446 122.053 120.570 0.062 0.000 2.315 407 I HA 0.281 4.449 4.170 -0.004 0.000 0.291 407 I C 0.596 176.697 176.117 -0.027 0.000 1.006 407 I CA -0.624 60.621 61.300 -0.092 0.000 1.265 407 I CB 1.867 39.521 38.000 -0.577 0.000 1.387 407 I HN 0.502 nan 8.210 nan 0.000 0.475 408 E N 4.885 125.121 120.200 0.060 0.000 2.340 408 E HA 0.340 4.688 4.350 -0.004 0.000 0.198 408 E C 0.156 176.729 176.600 -0.045 0.000 0.961 408 E CA 0.203 56.675 56.400 0.120 0.000 0.905 408 E CB 0.868 30.726 29.700 0.263 0.000 0.884 408 E HN 0.669 nan 8.360 nan 0.000 0.491 409 A N 0.518 123.227 122.820 -0.185 0.000 2.608 409 A HA 0.614 4.932 4.320 -0.004 0.000 0.292 409 A C -2.034 175.493 177.584 -0.095 0.000 1.066 409 A CA -0.651 51.197 52.037 -0.315 0.000 0.676 409 A CB 1.229 19.551 19.000 -1.131 0.000 1.277 409 A HN 0.036 nan 8.150 nan 0.000 0.413 410 L N 1.232 122.434 121.223 -0.035 0.000 2.476 410 L HA 0.779 5.117 4.340 -0.004 0.000 0.269 410 L C 0.071 176.975 176.870 0.057 0.000 0.965 410 L CA 0.517 55.366 54.840 0.015 0.000 0.845 410 L CB 2.059 44.151 42.059 0.054 0.000 1.259 410 L HN 1.250 nan 8.230 nan 0.000 0.403 411 T N -0.320 114.285 114.554 0.084 0.000 2.905 411 T HA 0.425 4.772 4.350 -0.004 0.000 0.283 411 T C 1.077 175.821 174.700 0.074 0.000 1.031 411 T CA 0.042 62.203 62.100 0.101 0.000 1.002 411 T CB 1.242 70.209 68.868 0.166 0.000 1.200 411 T HN 0.650 nan 8.240 nan 0.000 0.560 412 S N -0.333 115.410 115.700 0.072 0.000 2.442 412 S HA -0.099 4.369 4.470 -0.004 0.000 0.236 412 S C 0.848 175.435 174.600 -0.023 0.000 1.007 412 S CA 1.133 59.360 58.200 0.046 0.000 0.965 412 S CB -0.497 62.732 63.200 0.049 0.000 0.773 412 S HN 0.733 nan 8.310 nan 0.000 0.504 413 D N -0.883 119.486 120.400 -0.052 0.000 2.455 413 D HA 0.269 4.906 4.640 -0.004 0.000 0.228 413 D C -0.495 175.457 176.300 -0.581 0.000 1.070 413 D CA 0.460 54.288 54.000 -0.287 0.000 0.881 413 D CB 0.341 40.969 40.800 -0.286 0.000 1.087 413 D HN 0.431 nan 8.370 nan 0.000 0.498 414 Y N -0.023 120.212 120.300 -0.109 0.000 2.545 414 Y HA 0.505 5.053 4.550 -0.004 0.000 0.348 414 Y C -0.572 175.138 175.900 -0.316 0.000 1.002 414 Y CA -1.039 56.904 58.100 -0.261 0.000 1.039 414 Y CB 2.535 40.726 38.460 -0.448 0.000 1.271 414 Y HN -0.287 nan 8.280 nan 0.000 0.467 415 L N 2.716 123.804 121.223 -0.224 0.000 2.356 415 L HA 0.610 4.948 4.340 -0.004 0.000 0.277 415 L C -1.905 174.841 176.870 -0.207 0.000 0.996 415 L CA -0.607 54.098 54.840 -0.226 0.000 0.822 415 L CB 0.875 42.716 42.059 -0.363 0.000 1.256 415 L HN 0.603 nan 8.230 nan 0.000 0.413 416 Y N 4.803 125.049 120.300 -0.090 0.000 2.360 416 Y HA 0.572 5.120 4.550 -0.004 0.000 0.337 416 Y C -0.395 175.525 175.900 0.033 0.000 1.039 416 Y CA -0.434 57.618 58.100 -0.081 0.000 1.109 416 Y CB 1.325 39.668 38.460 -0.194 0.000 1.201 416 Y HN 0.538 nan 8.280 nan 0.000 0.458 417 Y N 0.459 120.836 120.300 0.128 0.000 2.625 417 Y HA 0.793 5.341 4.550 -0.004 0.000 0.338 417 Y C -1.902 174.093 175.900 0.158 0.000 1.123 417 Y CA -1.801 56.361 58.100 0.104 0.000 1.046 417 Y CB 1.139 39.632 38.460 0.056 0.000 1.299 417 Y HN 0.292 nan 8.280 nan 0.000 0.464 418 I N 3.071 123.808 120.570 0.279 0.000 2.404 418 I HA 0.604 4.772 4.170 -0.004 0.000 0.293 418 I C -0.227 176.064 176.117 0.291 0.000 0.992 418 I CA -0.307 61.102 61.300 0.181 0.000 1.149 418 I CB 1.463 39.525 38.000 0.102 0.000 1.315 418 I HN 0.896 nan 8.210 nan 0.000 0.446 419 S N 4.085 119.931 115.700 0.243 0.000 2.651 419 S HA 0.486 4.953 4.470 -0.004 0.000 0.279 419 S C -0.333 174.320 174.600 0.089 0.000 1.148 419 S CA -0.797 57.531 58.200 0.213 0.000 0.837 419 S CB 1.957 65.291 63.200 0.223 0.000 1.138 419 S HN 0.567 nan 8.310 nan 0.000 0.478 420 N N -0.321 118.425 118.700 0.077 0.000 2.380 420 N HA 0.148 4.885 4.740 -0.004 0.000 0.255 420 N C 0.530 176.014 175.510 -0.044 0.000 1.158 420 N CA -0.326 52.726 53.050 0.004 0.000 0.878 420 N CB 0.260 38.739 38.487 -0.014 0.000 1.138 420 N HN 0.821 nan 8.380 nan 0.000 0.509 421 E N -0.047 119.987 120.200 -0.276 0.000 2.072 421 E HA -0.196 4.152 4.350 -0.004 0.000 0.191 421 E C -0.350 176.102 176.600 -0.247 0.000 0.985 421 E CA 0.257 56.256 56.400 -0.668 0.000 0.801 421 E CB -0.091 28.606 29.700 -1.671 0.000 0.750 421 E HN 0.397 nan 8.360 nan 0.000 0.452 422 Y N 2.127 122.332 120.300 -0.158 0.000 2.881 422 Y HA -0.191 4.357 4.550 -0.004 0.000 0.335 422 Y C 0.446 176.306 175.900 -0.067 0.000 1.263 422 Y CA 1.106 59.162 58.100 -0.073 0.000 1.572 422 Y CB 0.040 38.483 38.460 -0.027 0.000 1.237 422 Y HN 0.105 nan 8.280 nan 0.000 0.568 423 K N 3.325 123.436 120.400 -0.481 0.000 3.104 423 K HA -0.262 4.056 4.320 -0.004 0.000 0.285 423 K C 0.850 177.373 176.600 -0.129 0.000 1.136 423 K CA 0.836 56.902 56.287 -0.369 0.000 0.842 423 K CB -1.813 30.419 32.500 -0.446 0.000 1.217 423 K HN 1.292 nan 8.250 nan 0.000 0.467 424 G N 0.743 109.482 108.800 -0.100 0.000 2.283 424 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.280 424 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.280 424 G C 0.004 174.873 174.900 -0.052 0.000 1.029 424 G CA 0.780 45.863 45.100 -0.027 0.000 0.840 424 G HN 0.336 nan 8.290 nan 0.000 0.505 425 M N 0.803 120.309 119.600 -0.156 0.000 2.080 425 M HA 0.220 4.698 4.480 -0.004 0.000 0.350 425 M C -0.960 175.085 176.300 -0.425 0.000 1.143 425 M CA -2.019 53.029 55.300 -0.420 0.000 1.064 425 M CB 1.552 34.000 32.600 -0.253 0.000 1.429 425 M HN -0.059 nan 8.290 nan 0.000 0.418 426 P HA -0.086 nan 4.420 nan 0.000 0.225 426 P C 1.054 178.197 177.300 -0.261 0.000 1.148 426 P CA 1.176 64.078 63.100 -0.330 0.000 0.779 426 P CB 0.118 31.631 31.700 -0.312 0.000 0.780 427 G N -0.651 107.929 108.800 -0.366 0.000 3.042 427 G HA2 0.260 4.218 3.960 -0.004 0.000 0.212 427 G HA3 0.260 4.218 3.960 -0.004 0.000 0.212 427 G C 0.721 175.618 174.900 -0.005 0.000 1.166 427 G CA 0.141 45.163 45.100 -0.129 0.000 0.767 427 G HN 0.427 nan 8.290 nan 0.000 0.546 428 G N -0.265 108.475 108.800 -0.101 0.000 2.461 428 G HA2 0.648 4.605 3.960 -0.004 0.000 0.329 428 G HA3 0.648 4.605 3.960 -0.004 0.000 0.329 428 G C -0.815 173.946 174.900 -0.231 0.000 1.170 428 G CA -0.775 44.289 45.100 -0.060 0.000 0.935 428 G HN 0.088 nan 8.290 nan 0.000 0.492 429 R N 0.964 121.283 120.500 -0.302 0.000 2.533 429 R HA 0.411 4.749 4.340 -0.004 0.000 0.288 429 R C -1.313 174.934 176.300 -0.088 0.000 1.039 429 R CA -0.793 55.116 56.100 -0.318 0.000 0.909 429 R CB 2.144 32.017 30.300 -0.712 0.000 1.195 429 R HN 0.587 nan 8.270 nan 0.000 0.438 430 N N 1.508 120.184 118.700 -0.041 0.000 2.357 430 N HA 0.359 5.096 4.740 -0.004 0.000 0.284 430 N C -1.277 174.087 175.510 -0.243 0.000 1.236 430 N CA -0.826 52.112 53.050 -0.187 0.000 0.774 430 N CB 2.679 40.939 38.487 -0.378 0.000 1.534 430 N HN 0.256 nan 8.380 nan 0.000 0.478 431 L N 1.921 122.851 121.223 -0.489 0.000 2.292 431 L HA 0.475 4.813 4.340 -0.004 0.000 0.284 431 L C -1.399 175.079 176.870 -0.653 0.000 1.065 431 L CA 0.028 54.619 54.840 -0.414 0.000 0.806 431 L CB 0.002 41.819 42.059 -0.403 0.000 1.175 431 L HN 0.415 nan 8.230 nan 0.000 0.431 432 Y N 3.366 123.326 120.300 -0.567 0.000 2.570 432 Y HA 0.583 5.131 4.550 -0.004 0.000 0.345 432 Y C -0.451 175.126 175.900 -0.538 0.000 1.014 432 Y CA -0.847 56.860 58.100 -0.654 0.000 1.063 432 Y CB 1.769 39.606 38.460 -1.039 0.000 1.272 432 Y HN 0.511 nan 8.280 nan 0.000 0.477 433 K N 2.855 123.126 120.400 -0.215 0.000 2.426 433 K HA 0.681 4.998 4.320 -0.004 0.000 0.254 433 K C -1.957 174.611 176.600 -0.055 0.000 0.936 433 K CA -0.542 55.564 56.287 -0.301 0.000 0.801 433 K CB 1.523 33.765 32.500 -0.431 0.000 1.139 433 K HN 0.783 nan 8.250 nan 0.000 0.424 434 I N 3.274 123.861 120.570 0.028 0.000 2.465 434 I HA 0.231 4.399 4.170 -0.004 0.000 0.291 434 I C -0.824 175.372 176.117 0.132 0.000 1.014 434 I CA -0.720 60.667 61.300 0.146 0.000 1.093 434 I CB 1.836 39.957 38.000 0.201 0.000 1.267 434 I HN 0.762 nan 8.210 nan 0.000 0.431 435 Q N 6.168 126.037 119.800 0.116 0.000 2.286 435 Q HA 0.196 4.534 4.340 -0.004 0.000 0.267 435 Q C 0.283 176.200 176.000 -0.138 0.000 1.028 435 Q CA -0.186 55.515 55.803 -0.170 0.000 0.901 435 Q CB 1.178 29.852 28.738 -0.107 0.000 1.183 435 Q HN 0.826 nan 8.270 nan 0.000 0.392 436 L N 2.477 123.545 121.223 -0.258 0.000 2.201 436 L HA -0.152 4.186 4.340 -0.004 0.000 0.212 436 L C 2.086 178.803 176.870 -0.254 0.000 1.105 436 L CA 1.254 56.017 54.840 -0.128 0.000 0.775 436 L CB -0.318 41.651 42.059 -0.150 0.000 0.913 436 L HN 0.674 nan 8.230 nan 0.000 0.440 437 S N -2.737 112.792 115.700 -0.285 0.000 2.558 437 S HA -0.007 4.461 4.470 -0.004 0.000 0.217 437 S C 0.471 174.886 174.600 -0.308 0.000 0.975 437 S CA -0.090 57.941 58.200 -0.282 0.000 0.912 437 S CB 0.125 63.202 63.200 -0.205 0.000 0.776 437 S HN 0.322 nan 8.310 nan 0.000 0.526 438 D N -0.039 120.189 120.400 -0.287 0.000 2.445 438 D HA 0.219 4.857 4.640 -0.004 0.000 0.236 438 D C -0.406 175.849 176.300 -0.074 0.000 1.315 438 D CA -0.548 53.329 54.000 -0.205 0.000 0.924 438 D CB 0.028 40.766 40.800 -0.104 0.000 1.447 438 D HN -0.040 nan 8.370 nan 0.000 0.532 439 Y N 0.677 120.955 120.300 -0.038 0.000 2.465 439 Y HA -0.141 4.407 4.550 -0.004 0.000 0.289 439 Y C 2.592 178.497 175.900 0.008 0.000 1.150 439 Y CA 1.593 59.683 58.100 -0.017 0.000 1.293 439 Y CB -0.952 37.499 38.460 -0.016 0.000 0.977 439 Y HN 0.415 nan 8.280 nan 0.000 0.556 440 T N -2.866 111.767 114.554 0.132 0.000 3.118 440 T HA -0.008 4.340 4.350 -0.004 0.000 0.260 440 T C 0.632 175.383 174.700 0.084 0.000 1.139 440 T CA 0.163 62.318 62.100 0.093 0.000 1.085 440 T CB -0.078 68.821 68.868 0.050 0.000 0.934 440 T HN -0.137 nan 8.240 nan 0.000 0.518 441 K N 2.347 122.800 120.400 0.087 0.000 2.257 441 K HA 0.532 4.850 4.320 -0.004 0.000 0.270 441 K C -1.200 175.470 176.600 0.116 0.000 1.098 441 K CA -0.353 55.984 56.287 0.085 0.000 0.943 441 K CB 1.374 33.916 32.500 0.070 0.000 1.316 441 K HN 0.152 nan 8.250 nan 0.000 0.447 442 V N 2.611 122.592 119.914 0.111 0.000 2.483 442 V HA 0.315 4.432 4.120 -0.004 0.000 0.297 442 V C -0.219 175.934 176.094 0.098 0.000 1.027 442 V CA -0.714 61.665 62.300 0.132 0.000 0.855 442 V CB 2.085 34.009 31.823 0.168 0.000 0.995 442 V HN 0.585 nan 8.190 nan 0.000 0.424 443 T N 3.362 117.946 114.554 0.051 0.000 2.797 443 T HA 0.278 4.625 4.350 -0.004 0.000 0.279 443 T C -0.394 174.241 174.700 -0.109 0.000 0.991 443 T CA -0.279 61.806 62.100 -0.025 0.000 0.979 443 T CB 1.389 70.210 68.868 -0.078 0.000 0.943 443 T HN 0.764 nan 8.240 nan 0.000 0.444 444 C N 5.278 124.447 119.300 -0.217 0.000 2.394 444 C HA 0.428 4.885 4.460 -0.004 0.000 0.362 444 C C 1.641 176.320 174.990 -0.517 0.000 1.268 444 C CA -0.621 58.017 59.018 -0.632 0.000 1.828 444 C CB -1.870 25.419 27.740 -0.753 0.000 2.442 444 C HN 0.984 nan 8.230 nan 0.000 0.549 445 L N 4.743 125.632 121.223 -0.557 0.000 2.509 445 L HA 0.080 4.418 4.340 -0.004 0.000 0.222 445 L C 2.082 178.638 176.870 -0.522 0.000 1.123 445 L CA 0.924 55.508 54.840 -0.425 0.000 0.856 445 L CB -0.279 41.572 42.059 -0.346 0.000 0.985 445 L HN 0.897 nan 8.230 nan 0.000 0.456 446 S N -3.401 111.869 115.700 -0.717 0.000 2.631 446 S HA -0.008 4.459 4.470 -0.004 0.000 0.246 446 S C 1.836 176.010 174.600 -0.710 0.000 1.068 446 S CA -0.068 57.596 58.200 -0.894 0.000 0.995 446 S CB -0.308 61.945 63.200 -1.579 0.000 0.944 446 S HN 0.289 nan 8.310 nan 0.000 0.529 447 C N 2.252 121.115 119.300 -0.730 0.000 2.363 447 C HA -0.050 4.408 4.460 -0.004 0.000 0.274 447 C C 2.477 177.142 174.990 -0.542 0.000 1.183 447 C CA 1.583 60.089 59.018 -0.853 0.000 1.771 447 C CB -1.088 25.959 27.740 -1.154 0.000 2.059 447 C HN 0.590 nan 8.230 nan 0.000 0.455 448 E N -0.017 119.974 120.200 -0.348 0.000 2.474 448 E HA 0.186 4.534 4.350 -0.004 0.000 0.195 448 E C 1.876 178.420 176.600 -0.094 0.000 1.039 448 E CA -0.047 56.260 56.400 -0.156 0.000 0.881 448 E CB -0.292 29.342 29.700 -0.110 0.000 0.970 448 E HN 0.569 nan 8.360 nan 0.000 0.486 449 L N 0.169 121.327 121.223 -0.108 0.000 1.989 449 L HA -0.112 4.226 4.340 -0.004 0.000 0.211 449 L C 0.986 177.861 176.870 0.009 0.000 1.071 449 L CA 1.032 55.851 54.840 -0.035 0.000 0.749 449 L CB -0.047 42.007 42.059 -0.009 0.000 0.890 449 L HN 0.113 nan 8.230 nan 0.000 0.431 450 N N -1.451 117.270 118.700 0.034 0.000 2.824 450 N HA 0.089 4.827 4.740 -0.004 0.000 0.224 450 N C -2.085 173.445 175.510 0.034 0.000 1.418 450 N CA -0.965 52.100 53.050 0.025 0.000 0.743 450 N CB 0.821 39.317 38.487 0.014 0.000 1.395 450 N HN -0.165 nan 8.380 nan 0.000 0.548 451 P HA -0.154 nan 4.420 nan 0.000 0.217 451 P C 0.467 177.812 177.300 0.074 0.000 1.148 451 P CA 1.436 64.585 63.100 0.082 0.000 0.828 451 P CB 0.689 32.462 31.700 0.121 0.000 0.783 452 E N -0.353 119.872 120.200 0.042 0.000 2.076 452 E HA -0.073 4.275 4.350 -0.004 0.000 0.190 452 E C 2.389 178.991 176.600 0.003 0.000 0.979 452 E CA 0.808 57.224 56.400 0.028 0.000 0.807 452 E CB -0.560 29.149 29.700 0.015 0.000 0.761 452 E HN 0.215 nan 8.360 nan 0.000 0.454 453 R N -0.465 120.023 120.500 -0.019 0.000 2.140 453 R HA 0.146 4.484 4.340 -0.004 0.000 0.213 453 R C -0.294 175.949 176.300 -0.094 0.000 1.059 453 R CA 0.588 56.651 56.100 -0.060 0.000 1.000 453 R CB 0.307 30.562 30.300 -0.075 0.000 0.910 453 R HN 0.141 nan 8.270 nan 0.000 0.455 454 c N 0.997 119.546 118.600 -0.085 0.000 2.322 454 c HA 0.421 4.988 4.570 -0.004 0.000 0.324 454 c C 0.028 174.061 174.090 -0.095 0.000 1.249 454 c CA -0.693 55.515 56.329 -0.201 0.000 1.453 454 c CB 1.431 43.746 42.510 -0.325 0.000 2.145 454 c HN 0.519 nan 8.230 nan 0.000 0.466 455 Q N 0.480 120.226 119.800 -0.091 0.000 2.073 455 Q HA 0.173 4.510 4.340 -0.004 0.000 0.215 455 Q C -1.010 175.034 176.000 0.074 0.000 0.776 455 Q CA 0.055 55.892 55.803 0.057 0.000 1.008 455 Q CB 1.376 30.179 28.738 0.109 0.000 1.196 455 Q HN 0.792 nan 8.270 nan 0.000 0.458 456 Y N 0.499 120.677 120.300 -0.203 0.000 2.373 456 Y HA 0.373 4.921 4.550 -0.004 0.000 0.327 456 Y C -1.579 174.179 175.900 -0.237 0.000 1.036 456 Y CA -1.029 56.991 58.100 -0.134 0.000 1.265 456 Y CB 0.712 39.108 38.460 -0.108 0.000 1.108 456 Y HN -0.072 nan 8.280 nan 0.000 0.471 457 Y N 2.180 122.436 120.300 -0.073 0.000 2.487 457 Y HA 0.687 5.235 4.550 -0.004 0.000 0.337 457 Y C 0.212 176.078 175.900 -0.056 0.000 1.076 457 Y CA -0.551 57.510 58.100 -0.066 0.000 1.115 457 Y CB 2.256 40.633 38.460 -0.138 0.000 1.235 457 Y HN 0.501 nan 8.280 nan 0.000 0.468 458 S N 0.706 116.513 115.700 0.178 0.000 2.627 458 S HA 0.861 5.329 4.470 -0.004 0.000 0.283 458 S C -1.664 173.010 174.600 0.122 0.000 1.127 458 S CA -0.777 57.503 58.200 0.134 0.000 0.863 458 S CB 1.796 65.088 63.200 0.153 0.000 1.121 458 S HN 0.634 nan 8.310 nan 0.000 0.479 459 V N 0.179 120.158 119.914 0.109 0.000 3.130 459 V HA 0.894 5.012 4.120 -0.004 0.000 0.310 459 V C -1.246 174.916 176.094 0.113 0.000 1.158 459 V CA -0.318 62.013 62.300 0.052 0.000 1.029 459 V CB 2.331 34.097 31.823 -0.095 0.000 1.057 459 V HN 1.199 nan 8.190 nan 0.000 0.436 460 S N 3.768 119.518 115.700 0.083 0.000 2.789 460 S HA 0.638 5.106 4.470 -0.004 0.000 0.286 460 S C -1.198 173.533 174.600 0.218 0.000 1.153 460 S CA -0.399 57.955 58.200 0.255 0.000 1.084 460 S CB 0.288 63.700 63.200 0.355 0.000 1.036 460 S HN 0.494 nan 8.310 nan 0.000 0.484 461 F N 3.045 123.053 119.950 0.097 0.000 2.371 461 F HA 0.431 4.955 4.527 -0.004 0.000 0.329 461 F C 1.510 176.898 175.800 -0.686 0.000 1.107 461 F CA -0.201 57.693 58.000 -0.177 0.000 1.137 461 F CB 1.200 40.079 39.000 -0.203 0.000 1.214 461 F HN 0.618 nan 8.300 nan 0.000 0.536 462 S N 1.868 116.979 115.700 -0.983 0.000 2.626 462 S HA 0.156 4.623 4.470 -0.004 0.000 0.257 462 S C 1.278 175.621 174.600 -0.428 0.000 1.288 462 S CA -0.760 56.552 58.200 -1.480 0.000 0.980 462 S CB 0.643 63.122 63.200 -1.201 0.000 0.975 462 S HN 0.519 nan 8.310 nan 0.000 0.577 463 K N 0.863 121.162 120.400 -0.168 0.000 2.020 463 K HA -0.070 4.247 4.320 -0.004 0.000 0.212 463 K C 1.090 177.689 176.600 -0.002 0.000 1.050 463 K CA 1.571 57.857 56.287 -0.001 0.000 0.929 463 K CB -0.538 32.003 32.500 0.069 0.000 0.714 463 K HN 0.659 nan 8.250 nan 0.000 0.443 464 E N -0.578 119.615 120.200 -0.011 0.000 2.496 464 E HA 0.241 4.588 4.350 -0.004 0.000 0.202 464 E C -0.023 176.554 176.600 -0.037 0.000 1.021 464 E CA 0.028 56.428 56.400 0.001 0.000 1.015 464 E CB 0.391 30.110 29.700 0.032 0.000 1.102 464 E HN 0.242 nan 8.360 nan 0.000 0.452 465 A N 1.130 123.909 122.820 -0.070 0.000 2.860 465 A HA -0.316 4.002 4.320 -0.004 0.000 0.267 465 A C 1.544 179.109 177.584 -0.032 0.000 1.421 465 A CA 1.626 53.640 52.037 -0.038 0.000 0.831 465 A CB -1.992 16.878 19.000 -0.216 0.000 1.041 465 A HN 0.285 nan 8.150 nan 0.000 0.623 466 K N -1.947 118.371 120.400 -0.136 0.000 2.217 466 K HA 0.077 4.394 4.320 -0.004 0.000 0.202 466 K C -0.083 176.158 176.600 -0.598 0.000 1.051 466 K CA 1.376 57.463 56.287 -0.333 0.000 0.952 466 K CB -0.006 32.276 32.500 -0.362 0.000 0.736 466 K HN 0.678 nan 8.250 nan 0.000 0.453 467 Y N -1.021 119.230 120.300 -0.082 0.000 2.581 467 Y HA 0.299 4.847 4.550 -0.004 0.000 0.345 467 Y C -1.001 174.831 175.900 -0.114 0.000 1.036 467 Y CA -1.401 56.642 58.100 -0.094 0.000 1.042 467 Y CB 1.658 40.092 38.460 -0.042 0.000 1.289 467 Y HN -0.044 nan 8.280 nan 0.000 0.471 468 Y N -0.931 119.359 120.300 -0.016 0.000 2.513 468 Y HA 0.532 5.080 4.550 -0.004 0.000 0.340 468 Y C -1.168 174.741 175.900 0.015 0.000 1.055 468 Y CA -1.455 56.485 58.100 -0.266 0.000 1.020 468 Y CB 1.517 39.322 38.460 -1.092 0.000 1.301 468 Y HN 0.598 nan 8.280 nan 0.000 0.453 469 Q N 4.157 124.080 119.800 0.205 0.000 2.278 469 Q HA 0.523 4.861 4.340 -0.004 0.000 0.257 469 Q C -1.696 174.393 176.000 0.148 0.000 0.928 469 Q CA -0.618 55.268 55.803 0.138 0.000 0.932 469 Q CB 1.191 29.979 28.738 0.083 0.000 1.221 469 Q HN 0.973 nan 8.270 nan 0.000 0.434 470 L N 4.426 125.757 121.223 0.180 0.000 2.307 470 L HA 0.508 4.846 4.340 -0.004 0.000 0.282 470 L C -0.148 176.796 176.870 0.124 0.000 1.051 470 L CA -0.532 54.405 54.840 0.161 0.000 0.804 470 L CB 1.244 43.388 42.059 0.141 0.000 1.197 470 L HN 0.615 nan 8.230 nan 0.000 0.431 471 R N 2.511 123.070 120.500 0.098 0.000 2.371 471 R HA 0.290 4.628 4.340 -0.004 0.000 0.312 471 R C -1.008 175.164 176.300 -0.213 0.000 0.980 471 R CA -0.511 55.501 56.100 -0.146 0.000 0.867 471 R CB 1.506 31.794 30.300 -0.021 0.000 1.163 471 R HN 0.575 nan 8.270 nan 0.000 0.492 472 c N 2.916 121.249 118.600 -0.446 0.000 2.325 472 c HA 0.334 4.902 4.570 -0.004 0.000 0.347 472 c C 1.533 175.366 174.090 -0.428 0.000 1.263 472 c CA -0.270 55.689 56.329 -0.616 0.000 1.806 472 c CB 0.038 42.156 42.510 -0.654 0.000 2.405 472 c HN 0.965 nan 8.230 nan 0.000 0.537 473 S N 3.836 119.377 115.700 -0.266 0.000 2.629 473 S HA 0.600 5.067 4.470 -0.004 0.000 0.236 473 S C 0.421 174.963 174.600 -0.097 0.000 1.010 473 S CA 0.260 58.370 58.200 -0.151 0.000 0.981 473 S CB 0.038 63.187 63.200 -0.086 0.000 0.919 473 S HN 1.874 nan 8.310 nan 0.000 0.514 474 G N 1.706 110.432 108.800 -0.125 0.000 2.316 474 G HA2 0.392 4.349 3.960 -0.004 0.000 0.296 474 G HA3 0.392 4.349 3.960 -0.004 0.000 0.296 474 G C -2.997 171.867 174.900 -0.060 0.000 1.399 474 G CA -0.470 44.600 45.100 -0.050 0.000 0.833 474 G HN -0.129 nan 8.290 nan 0.000 0.565 475 P HA 0.119 nan 4.420 nan 0.000 0.229 475 P C 1.248 178.564 177.300 0.027 0.000 1.160 475 P CA 1.347 64.468 63.100 0.034 0.000 0.777 475 P CB 0.384 32.107 31.700 0.039 0.000 0.814 476 G N 0.330 109.077 108.800 -0.089 0.000 2.510 476 G HA2 0.414 4.372 3.960 -0.004 0.000 0.280 476 G HA3 0.414 4.372 3.960 -0.004 0.000 0.280 476 G C -0.328 174.313 174.900 -0.432 0.000 1.386 476 G CA -0.782 44.187 45.100 -0.218 0.000 1.047 476 G HN 0.044 nan 8.290 nan 0.000 0.527 477 L N 1.225 122.105 121.223 -0.572 0.000 2.485 477 L HA 0.138 4.475 4.340 -0.004 0.000 0.275 477 L C -1.826 174.857 176.870 -0.312 0.000 1.207 477 L CA -1.168 53.296 54.840 -0.625 0.000 0.855 477 L CB 0.627 42.420 42.059 -0.445 0.000 1.114 477 L HN 0.239 nan 8.230 nan 0.000 0.485 478 P HA 0.015 nan 4.420 nan 0.000 0.265 478 P C -0.981 176.224 177.300 -0.157 0.000 1.187 478 P CA 0.026 63.022 63.100 -0.174 0.000 0.766 478 P CB 0.561 32.249 31.700 -0.020 0.000 0.820 479 L N 4.878 125.914 121.223 -0.312 0.000 2.438 479 L HA 0.483 4.821 4.340 -0.004 0.000 0.270 479 L C -1.801 174.881 176.870 -0.314 0.000 0.972 479 L CA -0.691 54.041 54.840 -0.180 0.000 0.831 479 L CB 0.995 42.970 42.059 -0.139 0.000 1.273 479 L HN 0.224 nan 8.230 nan 0.000 0.405 480 Y N 2.687 122.944 120.300 -0.072 0.000 2.335 480 Y HA 0.752 5.300 4.550 -0.003 0.000 0.338 480 Y C 0.459 176.254 175.900 -0.175 0.000 0.977 480 Y CA -0.528 57.511 58.100 -0.101 0.000 1.114 480 Y CB 2.098 40.480 38.460 -0.130 0.000 1.182 480 Y HN 0.675 nan 8.280 nan 0.000 0.463 481 T N 0.832 115.384 114.554 -0.004 0.000 2.906 481 T HA 0.712 5.059 4.350 -0.004 0.000 0.295 481 T C -1.492 173.095 174.700 -0.188 0.000 1.061 481 T CA -0.876 61.151 62.100 -0.123 0.000 1.000 481 T CB 1.978 70.839 68.868 -0.012 0.000 1.103 481 T HN 0.389 nan 8.240 nan 0.000 0.486 482 L N 1.905 122.875 121.223 -0.421 0.000 2.334 482 L HA 0.629 4.967 4.340 -0.004 0.000 0.276 482 L C -0.748 175.712 176.870 -0.683 0.000 1.014 482 L CA -0.315 54.308 54.840 -0.362 0.000 0.815 482 L CB 1.181 43.076 42.059 -0.274 0.000 1.268 482 L HN 0.822 nan 8.230 nan 0.000 0.428 483 H N 1.530 120.358 119.070 -0.403 0.000 2.895 483 H HA 0.346 4.900 4.556 -0.004 0.000 0.373 483 H C -1.130 173.958 175.328 -0.401 0.000 1.174 483 H CA -0.836 54.883 56.048 -0.549 0.000 1.144 483 H CB 2.233 31.350 29.762 -1.075 0.000 1.793 483 H HN 0.496 nan 8.280 nan 0.000 0.551 484 S N 0.631 116.281 115.700 -0.084 0.000 2.438 484 S HA 0.137 4.605 4.470 -0.004 0.000 0.293 484 S C 0.821 175.407 174.600 -0.023 0.000 1.141 484 S CA -0.537 57.675 58.200 0.020 0.000 1.080 484 S CB 0.818 64.061 63.200 0.071 0.000 0.978 484 S HN 0.604 nan 8.310 nan 0.000 0.479 485 S N 3.794 119.484 115.700 -0.017 0.000 2.423 485 S HA -0.091 4.377 4.470 -0.004 0.000 0.231 485 S C 1.881 176.511 174.600 0.050 0.000 1.014 485 S CA 0.921 59.212 58.200 0.150 0.000 0.965 485 S CB -0.259 63.019 63.200 0.129 0.000 0.785 485 S HN 0.686 nan 8.310 nan 0.000 0.495 486 V N 3.601 123.493 119.914 -0.037 0.000 2.469 486 V HA -0.161 3.957 4.120 -0.004 0.000 0.251 486 V C 1.219 177.311 176.094 -0.002 0.000 1.064 486 V CA 2.111 64.398 62.300 -0.022 0.000 1.066 486 V CB -0.478 31.316 31.823 -0.047 0.000 0.667 486 V HN 0.826 nan 8.190 nan 0.000 0.461 487 N N -3.224 115.478 118.700 0.004 0.000 2.116 487 N HA 0.058 4.796 4.740 -0.004 0.000 0.230 487 N C -0.329 175.192 175.510 0.018 0.000 1.326 487 N CA 0.275 53.329 53.050 0.007 0.000 0.867 487 N CB 0.612 39.103 38.487 0.007 0.000 1.174 487 N HN 0.259 nan 8.380 nan 0.000 0.506 488 D N 0.955 121.386 120.400 0.052 0.000 2.811 488 D HA -0.123 4.515 4.640 -0.004 0.000 0.231 488 D C -0.594 175.744 176.300 0.063 0.000 1.157 488 D CA 1.163 55.218 54.000 0.093 0.000 0.716 488 D CB -0.429 40.404 40.800 0.057 0.000 1.077 488 D HN 0.421 nan 8.370 nan 0.000 0.428 489 K N 0.234 120.658 120.400 0.041 0.000 2.130 489 K HA 0.525 4.843 4.320 -0.004 0.000 0.268 489 K C 0.876 177.486 176.600 0.017 0.000 0.983 489 K CA -0.502 55.803 56.287 0.030 0.000 0.893 489 K CB 1.405 33.908 32.500 0.006 0.000 1.066 489 K HN 0.092 nan 8.250 nan 0.000 0.450 490 G N 2.015 110.815 108.800 -0.001 0.000 2.378 490 G HA2 0.250 4.208 3.960 -0.004 0.000 0.255 490 G HA3 0.250 4.208 3.960 -0.004 0.000 0.255 490 G C 0.833 175.601 174.900 -0.220 0.000 1.270 490 G CA -0.366 44.603 45.100 -0.218 0.000 0.876 490 G HN 0.512 nan 8.290 nan 0.000 0.521 491 L N 1.579 122.617 121.223 -0.308 0.000 2.298 491 L HA 0.346 4.684 4.340 -0.004 0.000 0.209 491 L C 1.473 178.236 176.870 -0.179 0.000 1.084 491 L CA 0.481 55.209 54.840 -0.187 0.000 0.816 491 L CB -0.226 41.732 42.059 -0.169 0.000 0.967 491 L HN 0.810 nan 8.230 nan 0.000 0.460 492 R N -2.357 117.991 120.500 -0.252 0.000 3.288 492 R HA 0.258 4.596 4.340 -0.004 0.000 0.284 492 R C -1.707 174.448 176.300 -0.243 0.000 0.967 492 R CA -0.940 55.040 56.100 -0.199 0.000 0.836 492 R CB 0.734 30.947 30.300 -0.145 0.000 1.344 492 R HN -0.281 nan 8.270 nan 0.000 0.534 493 V N 2.251 122.055 119.914 -0.184 0.000 2.546 493 V HA 0.231 4.349 4.120 -0.004 0.000 0.284 493 V C 1.175 177.123 176.094 -0.243 0.000 1.050 493 V CA -0.367 61.827 62.300 -0.177 0.000 0.981 493 V CB 1.279 33.038 31.823 -0.106 0.000 0.990 493 V HN 0.621 nan 8.190 nan 0.000 0.474 494 L N 2.260 123.278 121.223 -0.340 0.000 2.388 494 L HA 0.380 4.718 4.340 -0.004 0.000 0.209 494 L C 0.522 177.177 176.870 -0.359 0.000 1.061 494 L CA 0.470 54.931 54.840 -0.631 0.000 0.834 494 L CB 0.354 41.636 42.059 -1.295 0.000 1.029 494 L HN 0.705 nan 8.230 nan 0.000 0.473 495 E N -0.017 120.104 120.200 -0.132 0.000 2.406 495 E HA 0.084 4.432 4.350 -0.004 0.000 0.297 495 E C -1.199 175.463 176.600 0.103 0.000 0.917 495 E CA -0.286 56.134 56.400 0.034 0.000 0.795 495 E CB 1.024 30.768 29.700 0.073 0.000 1.285 495 E HN 0.153 nan 8.360 nan 0.000 0.400 496 D N 3.031 123.464 120.400 0.055 0.000 2.433 496 D HA 0.154 4.791 4.640 -0.004 0.000 0.211 496 D C -0.198 176.117 176.300 0.025 0.000 1.114 496 D CA -0.190 53.829 54.000 0.032 0.000 0.837 496 D CB 0.034 40.831 40.800 -0.005 0.000 0.984 496 D HN 0.443 nan 8.370 nan 0.000 0.505 497 N N 0.304 119.035 118.700 0.052 0.000 2.747 497 N HA -0.210 4.528 4.740 -0.004 0.000 0.249 497 N C 0.970 176.489 175.510 0.014 0.000 1.107 497 N CA 0.900 53.974 53.050 0.040 0.000 0.707 497 N CB -1.386 37.115 38.487 0.023 0.000 1.054 497 N HN 0.475 nan 8.380 nan 0.000 0.555 498 S N -1.044 114.666 115.700 0.016 0.000 2.382 498 S HA -0.049 4.419 4.470 -0.004 0.000 0.228 498 S C 2.122 176.738 174.600 0.025 0.000 1.027 498 S CA 1.043 59.249 58.200 0.010 0.000 0.991 498 S CB -0.188 63.019 63.200 0.011 0.000 0.823 498 S HN 0.503 nan 8.310 nan 0.000 0.469 499 A N 2.175 125.019 122.820 0.041 0.000 1.883 499 A HA 0.004 4.322 4.320 -0.004 0.000 0.217 499 A C 2.270 179.898 177.584 0.074 0.000 1.186 499 A CA 1.760 53.831 52.037 0.056 0.000 0.624 499 A CB -0.997 18.040 19.000 0.061 0.000 0.822 499 A HN 0.552 nan 8.150 nan 0.000 0.444 500 L N 0.361 121.631 121.223 0.078 0.000 2.056 500 L HA -0.136 4.202 4.340 -0.004 0.000 0.207 500 L C 1.923 178.829 176.870 0.060 0.000 1.078 500 L CA 2.847 57.750 54.840 0.106 0.000 0.749 500 L CB -0.782 41.340 42.059 0.106 0.000 0.901 500 L HN 0.511 nan 8.230 nan 0.000 0.433 501 D N -0.614 119.792 120.400 0.011 0.000 2.149 501 D HA -0.275 4.362 4.640 -0.004 0.000 0.198 501 D C 2.237 178.540 176.300 0.006 0.000 0.990 501 D CA 1.538 55.526 54.000 -0.020 0.000 0.839 501 D CB -0.102 40.675 40.800 -0.039 0.000 0.948 501 D HN 0.370 nan 8.370 nan 0.000 0.460 502 K N -0.509 119.908 120.400 0.029 0.000 2.026 502 K HA -0.138 4.180 4.320 -0.004 0.000 0.208 502 K C 2.214 178.851 176.600 0.063 0.000 1.048 502 K CA 1.109 57.420 56.287 0.040 0.000 0.929 502 K CB -0.112 32.416 32.500 0.046 0.000 0.713 502 K HN 0.238 nan 8.250 nan 0.000 0.439 503 M N 0.755 120.416 119.600 0.103 0.000 2.117 503 M HA -0.158 4.320 4.480 -0.004 0.000 0.262 503 M C 2.035 178.393 176.300 0.096 0.000 1.065 503 M CA 1.406 56.810 55.300 0.173 0.000 1.114 503 M CB -0.194 32.602 32.600 0.327 0.000 1.361 503 M HN 0.148 nan 8.290 nan 0.000 0.408 504 L N 0.081 121.300 121.223 -0.007 0.000 2.450 504 L HA -0.193 4.145 4.340 -0.004 0.000 0.224 504 L C 2.519 179.355 176.870 -0.057 0.000 1.149 504 L CA 0.523 55.290 54.840 -0.122 0.000 0.816 504 L CB -0.694 41.300 42.059 -0.108 0.000 0.932 504 L HN 0.411 nan 8.230 nan 0.000 0.449 505 Q N 0.258 120.054 119.800 -0.008 0.000 2.124 505 Q HA -0.128 4.210 4.340 -0.004 0.000 0.202 505 Q C 1.206 177.218 176.000 0.019 0.000 0.977 505 Q CA 1.093 56.900 55.803 0.006 0.000 0.850 505 Q CB -0.334 28.416 28.738 0.020 0.000 0.901 505 Q HN 0.644 nan 8.270 nan 0.000 0.429 506 N N 0.497 119.220 118.700 0.038 0.000 2.362 506 N HA 0.070 4.807 4.740 -0.004 0.000 0.204 506 N C -0.349 175.196 175.510 0.058 0.000 1.166 506 N CA 0.141 53.226 53.050 0.058 0.000 0.831 506 N CB 1.013 39.552 38.487 0.087 0.000 1.008 506 N HN -0.032 nan 8.380 nan 0.000 0.472 507 V N 0.889 120.811 119.914 0.014 0.000 2.656 507 V HA 0.182 4.300 4.120 -0.004 0.000 0.307 507 V C 0.153 176.240 176.094 -0.012 0.000 1.051 507 V CA -0.876 61.427 62.300 0.005 0.000 0.893 507 V CB 2.643 34.411 31.823 -0.092 0.000 0.999 507 V HN 0.011 nan 8.190 nan 0.000 0.426 508 Q N 4.181 123.987 119.800 0.009 0.000 2.815 508 Q HA 0.274 4.612 4.340 -0.004 0.000 0.235 508 Q C -0.356 175.606 176.000 -0.063 0.000 1.354 508 Q CA -0.211 55.567 55.803 -0.041 0.000 0.953 508 Q CB 0.271 28.994 28.738 -0.025 0.000 1.613 508 Q HN 0.535 nan 8.270 nan 0.000 0.572 509 M N 3.314 122.863 119.600 -0.084 0.000 2.243 509 M HA 0.264 4.742 4.480 -0.004 0.000 0.341 509 M C -1.886 174.339 176.300 -0.126 0.000 1.130 509 M CA -2.231 53.007 55.300 -0.103 0.000 1.162 509 M CB -0.225 32.317 32.600 -0.098 0.000 1.497 509 M HN 0.251 nan 8.290 nan 0.000 0.456 510 P HA 0.228 nan 4.420 nan 0.000 0.276 510 P C -0.809 176.403 177.300 -0.147 0.000 1.252 510 P CA -0.380 62.625 63.100 -0.159 0.000 0.802 510 P CB 0.681 32.274 31.700 -0.177 0.000 1.035 511 S N -0.330 115.271 115.700 -0.164 0.000 2.681 511 S HA 0.589 5.056 4.470 -0.004 0.000 0.299 511 S C -0.465 174.038 174.600 -0.160 0.000 1.113 511 S CA -0.757 57.361 58.200 -0.136 0.000 1.013 511 S CB 1.727 64.850 63.200 -0.128 0.000 1.076 511 S HN 0.530 nan 8.310 nan 0.000 0.534 512 K N 0.595 120.928 120.400 -0.112 0.000 2.345 512 K HA 0.447 4.765 4.320 -0.004 0.000 0.255 512 K C -1.334 175.217 176.600 -0.081 0.000 0.934 512 K CA -0.596 55.629 56.287 -0.104 0.000 0.801 512 K CB 1.446 33.907 32.500 -0.066 0.000 1.137 512 K HN 0.747 nan 8.250 nan 0.000 0.424 513 K N 4.771 125.118 120.400 -0.088 0.000 2.292 513 K HA 0.366 4.684 4.320 -0.004 0.000 0.257 513 K C -1.733 174.844 176.600 -0.039 0.000 0.940 513 K CA -0.886 55.364 56.287 -0.061 0.000 0.811 513 K CB 1.178 33.628 32.500 -0.082 0.000 1.120 513 K HN 0.472 nan 8.250 nan 0.000 0.428 514 L N 3.724 124.936 121.223 -0.018 0.000 2.349 514 L HA 0.559 4.896 4.340 -0.004 0.000 0.278 514 L C -1.329 175.539 176.870 -0.003 0.000 0.996 514 L CA 0.156 55.012 54.840 0.027 0.000 0.825 514 L CB 1.515 43.659 42.059 0.141 0.000 1.243 514 L HN 0.846 nan 8.230 nan 0.000 0.412 515 D N 2.757 122.990 120.400 -0.280 0.000 2.838 515 D HA 0.553 5.190 4.640 -0.004 0.000 0.334 515 D C -1.588 174.316 176.300 -0.660 0.000 1.315 515 D CA 0.013 53.744 54.000 -0.448 0.000 0.917 515 D CB 1.439 41.951 40.800 -0.480 0.000 1.435 515 D HN 0.257 nan 8.370 nan 0.000 0.517 516 F N -0.386 119.188 119.950 -0.627 0.000 2.664 516 F HA 0.755 5.280 4.527 -0.004 0.000 0.317 516 F C -0.949 174.888 175.800 0.061 0.000 1.108 516 F CA -1.130 56.615 58.000 -0.425 0.000 0.957 516 F CB 0.923 39.245 39.000 -1.131 0.000 1.365 516 F HN 0.313 nan 8.300 nan 0.000 0.475 517 I N -0.097 120.734 120.570 0.434 0.000 2.785 517 I HA 0.679 4.847 4.170 -0.004 0.000 0.302 517 I C -1.451 174.906 176.117 0.401 0.000 1.069 517 I CA -1.205 60.294 61.300 0.331 0.000 1.045 517 I CB 2.472 40.648 38.000 0.293 0.000 1.236 517 I HN 0.646 nan 8.210 nan 0.000 0.429 518 I N 5.205 125.947 120.570 0.286 0.000 2.321 518 I HA 0.418 4.585 4.170 -0.004 0.000 0.291 518 I C -0.800 175.455 176.117 0.229 0.000 0.998 518 I CA -0.458 60.990 61.300 0.248 0.000 1.227 518 I CB 1.411 39.519 38.000 0.181 0.000 1.368 518 I HN 0.382 nan 8.210 nan 0.000 0.466 519 L N 6.681 128.095 121.223 0.319 0.000 2.376 519 L HA 0.427 4.765 4.340 -0.004 0.000 0.275 519 L C -0.069 176.950 176.870 0.248 0.000 0.987 519 L CA -0.672 54.334 54.840 0.277 0.000 0.828 519 L CB 1.450 43.709 42.059 0.333 0.000 1.249 519 L HN 0.592 nan 8.230 nan 0.000 0.409 520 N N 2.337 121.117 118.700 0.133 0.000 2.735 520 N HA -0.217 4.521 4.740 -0.004 0.000 0.248 520 N C -0.080 175.474 175.510 0.072 0.000 1.083 520 N CA 1.304 54.408 53.050 0.091 0.000 0.703 520 N CB -0.933 37.612 38.487 0.097 0.000 1.005 520 N HN 0.831 nan 8.380 nan 0.000 0.550 521 E N -2.755 117.486 120.200 0.067 0.000 2.791 521 E HA -0.271 4.076 4.350 -0.004 0.000 0.271 521 E C -0.242 176.357 176.600 -0.000 0.000 1.044 521 E CA 1.322 57.744 56.400 0.036 0.000 0.814 521 E CB -1.482 28.230 29.700 0.021 0.000 1.400 521 E HN 0.583 nan 8.360 nan 0.000 0.423 522 T N -0.870 113.676 114.554 -0.012 0.000 2.893 522 T HA 0.452 4.800 4.350 -0.004 0.000 0.293 522 T C -0.630 173.905 174.700 -0.276 0.000 1.027 522 T CA -0.943 61.055 62.100 -0.170 0.000 0.988 522 T CB 1.553 70.281 68.868 -0.234 0.000 1.043 522 T HN 0.058 nan 8.240 nan 0.000 0.461 523 K N 2.881 123.071 120.400 -0.350 0.000 2.298 523 K HA 0.460 4.777 4.320 -0.004 0.000 0.280 523 K C -1.059 175.258 176.600 -0.472 0.000 1.032 523 K CA -0.197 55.891 56.287 -0.332 0.000 0.958 523 K CB 0.603 32.763 32.500 -0.567 0.000 0.978 523 K HN 0.493 nan 8.250 nan 0.000 0.472 524 F N 2.086 122.091 119.950 0.092 0.000 2.496 524 F HA 0.258 4.783 4.527 -0.004 0.000 0.341 524 F C -0.589 175.272 175.800 0.101 0.000 1.134 524 F CA -0.938 57.117 58.000 0.092 0.000 0.968 524 F CB 0.925 40.016 39.000 0.151 0.000 1.205 524 F HN 0.443 nan 8.300 nan 0.000 0.436 525 W N 3.867 125.272 121.300 0.176 0.000 2.184 525 W HA 0.435 5.093 4.660 -0.004 0.000 0.338 525 W C -0.441 176.224 176.519 0.244 0.000 1.257 525 W CA -0.366 57.104 57.345 0.208 0.000 1.243 525 W CB 0.365 29.895 29.460 0.117 0.000 1.122 525 W HN 0.439 nan 8.180 nan 0.000 0.585 526 Y N -0.658 119.940 120.300 0.496 0.000 2.638 526 Y HA 0.609 5.157 4.550 -0.004 0.000 0.335 526 Y C -1.065 175.059 175.900 0.373 0.000 1.155 526 Y CA -1.924 56.473 58.100 0.495 0.000 1.046 526 Y CB 0.994 39.920 38.460 0.777 0.000 1.303 526 Y HN 0.569 nan 8.280 nan 0.000 0.460 527 Q N 2.197 122.257 119.800 0.434 0.000 2.421 527 Q HA 0.793 5.131 4.340 -0.004 0.000 0.280 527 Q C -1.807 174.331 176.000 0.229 0.000 1.085 527 Q CA -1.216 54.715 55.803 0.214 0.000 0.807 527 Q CB 3.434 32.257 28.738 0.142 0.000 1.405 527 Q HN 0.857 nan 8.270 nan 0.000 0.419 528 M N 2.251 121.897 119.600 0.077 0.000 2.267 528 M HA 0.418 4.895 4.480 -0.004 0.000 0.289 528 M C -1.359 174.855 176.300 -0.142 0.000 1.043 528 M CA -0.894 54.371 55.300 -0.058 0.000 0.928 528 M CB 2.239 34.756 32.600 -0.139 0.000 1.613 528 M HN 0.606 nan 8.290 nan 0.000 0.450 529 I N 5.134 125.611 120.570 -0.154 0.000 2.301 529 I HA 0.337 4.504 4.170 -0.004 0.000 0.292 529 I C -0.368 175.576 176.117 -0.287 0.000 1.046 529 I CA -0.255 60.931 61.300 -0.189 0.000 1.282 529 I CB 0.158 38.068 38.000 -0.150 0.000 1.409 529 I HN 0.633 nan 8.210 nan 0.000 0.484 530 L N 8.458 129.458 121.223 -0.372 0.000 2.307 530 L HA 0.433 4.770 4.340 -0.004 0.000 0.282 530 L C -2.151 174.503 176.870 -0.360 0.000 1.051 530 L CA -1.754 52.758 54.840 -0.547 0.000 0.804 530 L CB 1.043 42.600 42.059 -0.837 0.000 1.197 530 L HN 0.256 nan 8.230 nan 0.000 0.431 531 P HA 0.079 nan 4.420 nan 0.000 0.269 531 P C -2.454 174.784 177.300 -0.104 0.000 1.217 531 P CA -0.775 62.233 63.100 -0.154 0.000 0.783 531 P CB -0.031 31.628 31.700 -0.068 0.000 0.898 532 P HA -0.010 nan 4.420 nan 0.000 0.269 532 P C -0.484 176.736 177.300 -0.134 0.000 1.217 532 P CA 0.411 63.367 63.100 -0.241 0.000 0.783 532 P CB -0.259 31.226 31.700 -0.358 0.000 0.898 533 H N -2.095 117.009 119.070 0.055 0.000 2.690 533 H HA -0.232 4.322 4.556 -0.004 0.000 0.309 533 H C 0.099 175.486 175.328 0.098 0.000 1.138 533 H CA -0.409 55.676 56.048 0.063 0.000 1.142 533 H CB -2.102 27.690 29.762 0.049 0.000 1.410 533 H HN 0.301 nan 8.280 nan 0.000 0.409 534 F N 2.130 122.075 119.950 -0.010 0.000 2.629 534 F HA 0.104 4.629 4.527 -0.004 0.000 0.369 534 F C 0.553 176.364 175.800 0.018 0.000 1.125 534 F CA 0.037 57.982 58.000 -0.093 0.000 1.330 534 F CB 0.559 39.389 39.000 -0.283 0.000 1.071 534 F HN 0.265 nan 8.300 nan 0.000 0.595 535 D N 5.480 125.471 120.400 -0.683 0.000 2.473 535 D HA 0.128 4.766 4.640 -0.004 0.000 0.253 535 D C 0.379 176.267 176.300 -0.686 0.000 1.233 535 D CA -0.582 53.120 54.000 -0.498 0.000 0.908 535 D CB 1.061 41.768 40.800 -0.156 0.000 1.170 535 D HN 0.670 nan 8.370 nan 0.000 0.558 536 K N 1.237 121.261 120.400 -0.625 0.000 2.585 536 K HA -0.096 4.222 4.320 -0.004 0.000 0.194 536 K C 0.910 177.515 176.600 0.008 0.000 1.037 536 K CA 0.970 57.123 56.287 -0.224 0.000 0.964 536 K CB -0.083 32.463 32.500 0.078 0.000 0.787 536 K HN 0.176 nan 8.250 nan 0.000 0.488 537 S N -0.268 115.390 115.700 -0.069 0.000 2.575 537 S HA 0.128 4.596 4.470 -0.004 0.000 0.215 537 S C 0.161 174.731 174.600 -0.049 0.000 0.966 537 S CA -0.595 57.586 58.200 -0.032 0.000 0.911 537 S CB 0.080 63.252 63.200 -0.047 0.000 0.780 537 S HN 0.232 nan 8.310 nan 0.000 0.514 538 K N 0.881 121.238 120.400 -0.072 0.000 2.211 538 K HA 0.484 4.802 4.320 -0.004 0.000 0.237 538 K C -0.771 175.775 176.600 -0.090 0.000 1.002 538 K CA -0.975 55.209 56.287 -0.171 0.000 0.885 538 K CB 0.777 33.025 32.500 -0.420 0.000 1.136 538 K HN -0.076 nan 8.250 nan 0.000 0.448 539 K N 2.196 122.489 120.400 -0.179 0.000 2.316 539 K HA 0.271 4.589 4.320 -0.004 0.000 0.267 539 K C -1.030 175.477 176.600 -0.155 0.000 1.025 539 K CA -0.297 55.954 56.287 -0.060 0.000 0.896 539 K CB 0.570 33.028 32.500 -0.070 0.000 1.124 539 K HN 0.471 nan 8.250 nan 0.000 0.451 540 Y N 3.263 123.597 120.300 0.057 0.000 2.361 540 Y HA 0.263 4.810 4.550 -0.004 0.000 0.332 540 Y C -1.693 174.148 175.900 -0.099 0.000 1.101 540 Y CA -2.174 55.929 58.100 0.005 0.000 1.137 540 Y CB 1.078 39.600 38.460 0.104 0.000 1.207 540 Y HN 0.433 nan 8.280 nan 0.000 0.463 541 P HA 0.134 nan 4.420 nan 0.000 0.275 541 P C -1.073 176.075 177.300 -0.254 0.000 1.228 541 P CA -0.152 62.663 63.100 -0.474 0.000 0.786 541 P CB 1.579 32.593 31.700 -1.143 0.000 0.927 542 L N 3.068 124.200 121.223 -0.152 0.000 2.365 542 L HA 0.506 4.844 4.340 -0.004 0.000 0.273 542 L C -1.061 175.991 176.870 0.302 0.000 1.000 542 L CA -1.228 53.661 54.840 0.081 0.000 0.819 542 L CB 1.736 43.855 42.059 0.099 0.000 1.284 542 L HN 0.174 nan 8.230 nan 0.000 0.418 543 L N 5.573 126.980 121.223 0.306 0.000 2.298 543 L HA 0.466 4.803 4.340 -0.004 0.000 0.284 543 L C -1.175 175.914 176.870 0.366 0.000 1.013 543 L CA -0.350 54.727 54.840 0.394 0.000 0.824 543 L CB 1.502 43.749 42.059 0.313 0.000 1.221 543 L HN 0.574 nan 8.230 nan 0.000 0.418 544 L N 5.219 126.707 121.223 0.441 0.000 2.283 544 L HA 0.382 4.720 4.340 -0.004 0.000 0.287 544 L C -0.435 176.665 176.870 0.384 0.000 1.073 544 L CA 0.291 55.378 54.840 0.413 0.000 0.822 544 L CB 0.491 42.839 42.059 0.482 0.000 1.186 544 L HN 0.624 nan 8.230 nan 0.000 0.436 545 D N 4.607 125.211 120.400 0.339 0.000 2.347 545 D HA 0.242 4.880 4.640 -0.004 0.000 0.235 545 D C -0.996 175.389 176.300 0.142 0.000 1.149 545 D CA 0.056 54.191 54.000 0.225 0.000 0.850 545 D CB 1.284 42.279 40.800 0.325 0.000 1.061 545 D HN 0.352 nan 8.370 nan 0.000 0.487 546 V N 5.266 125.193 119.914 0.022 0.000 2.769 546 V HA 0.485 4.603 4.120 -0.004 0.000 0.312 546 V C -1.072 175.102 176.094 0.134 0.000 1.061 546 V CA -0.409 61.962 62.300 0.117 0.000 0.931 546 V CB 1.935 33.832 31.823 0.124 0.000 1.010 546 V HN 0.663 nan 8.190 nan 0.000 0.433 547 Y N 4.782 125.154 120.300 0.120 0.000 3.266 547 Y HA 0.567 5.114 4.550 -0.004 0.000 0.189 547 Y C 1.528 177.570 175.900 0.237 0.000 0.895 547 Y CA 1.116 59.313 58.100 0.162 0.000 1.706 547 Y CB 0.256 38.792 38.460 0.127 0.000 1.449 547 Y HN 1.145 nan 8.280 nan 0.000 0.391 548 A N 1.075 124.003 122.820 0.181 0.000 2.847 548 A HA -0.154 4.163 4.320 -0.004 0.000 0.263 548 A C 0.801 178.234 177.584 -0.253 0.000 1.391 548 A CA 0.939 53.025 52.037 0.082 0.000 0.866 548 A CB -2.428 16.674 19.000 0.171 0.000 1.057 548 A HN 0.949 nan 8.150 nan 0.000 0.673 549 G N -0.507 107.913 108.800 -0.633 0.000 2.616 549 G HA2 0.535 4.492 3.960 -0.004 0.000 0.268 549 G HA3 0.535 4.492 3.960 -0.004 0.000 0.268 549 G C -1.896 172.673 174.900 -0.552 0.000 1.213 549 G CA -0.706 43.565 45.100 -1.381 0.000 0.926 549 G HN 0.433 nan 8.290 nan 0.000 0.523 550 P HA 0.038 nan 4.420 nan 0.000 0.267 550 P C 0.545 177.705 177.300 -0.234 0.000 1.209 550 P CA 0.244 63.071 63.100 -0.456 0.000 0.763 550 P CB 0.824 31.883 31.700 -1.069 0.000 0.816 551 C N 2.247 121.469 119.300 -0.130 0.000 4.417 551 C HA -0.147 4.310 4.460 -0.004 0.000 0.284 551 C C 1.122 176.111 174.990 -0.001 0.000 1.379 551 C CA 1.163 60.064 59.018 -0.195 0.000 1.918 551 C CB -2.638 24.824 27.740 -0.464 0.000 1.280 551 C HN 0.834 nan 8.230 nan 0.000 0.783 552 S N -0.023 115.755 115.700 0.129 0.000 2.645 552 S HA 0.578 5.046 4.470 -0.004 0.000 0.266 552 S C -0.585 174.178 174.600 0.271 0.000 1.258 552 S CA 0.175 58.543 58.200 0.279 0.000 0.990 552 S CB 1.614 65.050 63.200 0.394 0.000 0.967 552 S HN 0.826 nan 8.310 nan 0.000 0.556 553 Q N -0.068 119.916 119.800 0.306 0.000 2.406 553 Q HA 0.331 4.669 4.340 -0.004 0.000 0.244 553 Q C -0.765 175.364 176.000 0.216 0.000 0.884 553 Q CA -0.563 55.411 55.803 0.285 0.000 0.813 553 Q CB 0.976 29.938 28.738 0.373 0.000 1.368 553 Q HN 0.694 nan 8.270 nan 0.000 0.439 554 K N 0.923 121.450 120.400 0.212 0.000 2.358 554 K HA 0.333 4.651 4.320 -0.004 0.000 0.200 554 K C -0.368 176.342 176.600 0.184 0.000 1.030 554 K CA 0.262 56.664 56.287 0.191 0.000 1.097 554 K CB 1.475 34.115 32.500 0.233 0.000 0.862 554 K HN 0.484 nan 8.250 nan 0.000 0.534 555 A N 2.710 125.647 122.820 0.194 0.000 2.277 555 A HA 0.443 4.761 4.320 -0.004 0.000 0.318 555 A C -0.796 176.868 177.584 0.134 0.000 1.339 555 A CA -0.542 51.613 52.037 0.197 0.000 0.875 555 A CB 0.220 19.394 19.000 0.290 0.000 1.158 555 A HN 0.238 nan 8.150 nan 0.000 0.514 556 D N -0.064 120.392 120.400 0.093 0.000 2.752 556 D HA 0.430 5.068 4.640 -0.004 0.000 0.313 556 D C 0.304 176.632 176.300 0.046 0.000 1.225 556 D CA 0.284 54.328 54.000 0.072 0.000 0.976 556 D CB 0.378 41.222 40.800 0.073 0.000 1.443 556 D HN 0.191 nan 8.370 nan 0.000 0.515 557 T N -2.158 112.441 114.554 0.074 0.000 3.223 557 T HA 0.366 4.714 4.350 -0.004 0.000 0.259 557 T C 0.228 174.909 174.700 -0.031 0.000 1.015 557 T CA -0.401 61.734 62.100 0.058 0.000 0.908 557 T CB -0.744 68.197 68.868 0.123 0.000 1.054 557 T HN 0.260 nan 8.240 nan 0.000 0.567 558 V N 2.381 122.182 119.914 -0.187 0.000 2.649 558 V HA 0.394 4.511 4.120 -0.004 0.000 0.292 558 V C -0.011 176.038 176.094 -0.075 0.000 1.055 558 V CA -1.047 61.098 62.300 -0.259 0.000 1.023 558 V CB 0.539 32.078 31.823 -0.474 0.000 0.992 558 V HN 0.595 nan 8.190 nan 0.000 0.480 559 F N 6.134 125.990 119.950 -0.157 0.000 2.424 559 F HA 0.568 5.093 4.527 -0.004 0.000 0.356 559 F C 0.431 176.174 175.800 -0.096 0.000 1.110 559 F CA -0.216 57.716 58.000 -0.113 0.000 1.161 559 F CB 0.253 39.194 39.000 -0.099 0.000 1.115 559 F HN 0.417 nan 8.300 nan 0.000 0.507 560 R N 6.520 126.563 120.500 -0.762 0.000 2.686 560 R HA 0.558 4.896 4.340 -0.004 0.000 0.286 560 R C -1.550 174.294 176.300 -0.758 0.000 0.969 560 R CA -1.077 54.674 56.100 -0.582 0.000 0.898 560 R CB 2.180 32.314 30.300 -0.276 0.000 1.183 560 R HN 0.671 nan 8.270 nan 0.000 0.456 561 L N 4.211 125.167 121.223 -0.445 0.000 2.313 561 L HA 0.379 4.717 4.340 -0.004 0.000 0.273 561 L C -0.649 176.166 176.870 -0.092 0.000 1.028 561 L CA -0.612 54.024 54.840 -0.340 0.000 0.871 561 L CB 0.454 42.453 42.059 -0.100 0.000 1.242 561 L HN 0.774 nan 8.230 nan 0.000 0.434 562 N N 0.283 118.857 118.700 -0.211 0.000 3.479 562 N HA 0.162 4.900 4.740 -0.004 0.000 0.336 562 N C 0.239 175.391 175.510 -0.597 0.000 1.623 562 N CA -0.846 51.983 53.050 -0.367 0.000 0.759 562 N CB 0.145 38.542 38.487 -0.149 0.000 2.016 562 N HN 0.262 nan 8.380 nan 0.000 0.637 563 W N 0.637 121.337 121.300 -1.000 0.000 2.338 563 W HA 0.161 4.819 4.660 -0.004 0.000 0.304 563 W C 2.078 178.531 176.519 -0.109 0.000 1.212 563 W CA 2.851 59.847 57.345 -0.582 0.000 1.264 563 W CB -1.020 28.226 29.460 -0.356 0.000 1.142 563 W HN 0.694 nan 8.180 nan 0.000 0.512 564 A N -0.525 122.267 122.820 -0.046 0.000 1.972 564 A HA -0.206 4.111 4.320 -0.004 0.000 0.219 564 A C 1.938 179.414 177.584 -0.181 0.000 1.169 564 A CA 2.469 54.417 52.037 -0.149 0.000 0.635 564 A CB -1.256 17.734 19.000 -0.017 0.000 0.810 564 A HN 0.305 nan 8.150 nan 0.000 0.446 565 T N -1.159 113.303 114.554 -0.154 0.000 2.708 565 T HA -0.205 4.143 4.350 -0.004 0.000 0.266 565 T C 1.821 176.537 174.700 0.028 0.000 1.037 565 T CA 1.738 63.729 62.100 -0.182 0.000 1.146 565 T CB -0.516 68.080 68.868 -0.453 0.000 0.865 565 T HN 0.691 nan 8.240 nan 0.000 0.435 566 Y N 2.235 122.618 120.300 0.139 0.000 2.145 566 Y HA -0.064 4.483 4.550 -0.004 0.000 0.286 566 Y C 1.979 177.862 175.900 -0.028 0.000 1.145 566 Y CA 0.977 59.185 58.100 0.181 0.000 1.148 566 Y CB -0.840 37.713 38.460 0.154 0.000 0.981 566 Y HN 0.119 nan 8.280 nan 0.000 0.507 567 L N 0.244 121.027 121.223 -0.734 0.000 2.042 567 L HA -0.244 4.094 4.340 -0.004 0.000 0.210 567 L C 2.817 179.424 176.870 -0.439 0.000 1.076 567 L CA 1.407 55.754 54.840 -0.822 0.000 0.749 567 L CB -1.027 40.595 42.059 -0.728 0.000 0.893 567 L HN 0.442 nan 8.230 nan 0.000 0.432 568 A N -1.204 121.442 122.820 -0.291 0.000 1.874 568 A HA -0.167 4.151 4.320 -0.004 0.000 0.214 568 A C 2.514 180.014 177.584 -0.140 0.000 1.189 568 A CA 1.623 53.542 52.037 -0.196 0.000 0.615 568 A CB -0.638 18.245 19.000 -0.195 0.000 0.830 568 A HN 0.321 nan 8.150 nan 0.000 0.443 569 S N -0.981 114.657 115.700 -0.104 0.000 2.348 569 S HA -0.136 4.332 4.470 -0.004 0.000 0.221 569 S C 2.034 176.634 174.600 0.000 0.000 1.033 569 S CA 2.398 60.583 58.200 -0.026 0.000 1.010 569 S CB -0.465 62.776 63.200 0.068 0.000 0.891 569 S HN 0.585 nan 8.310 nan 0.000 0.442 570 T N 1.336 115.877 114.554 -0.022 0.000 2.901 570 T HA 0.149 4.496 4.350 -0.004 0.000 0.252 570 T C 1.425 176.090 174.700 -0.057 0.000 1.035 570 T CA 0.688 62.795 62.100 0.011 0.000 1.142 570 T CB -0.170 68.785 68.868 0.146 0.000 0.869 570 T HN 0.318 nan 8.240 nan 0.000 0.442 571 E N 1.325 121.399 120.200 -0.209 0.000 2.489 571 E HA 0.143 4.491 4.350 -0.004 0.000 0.193 571 E C 0.012 176.581 176.600 -0.051 0.000 1.057 571 E CA -0.090 56.226 56.400 -0.139 0.000 0.866 571 E CB -0.500 29.052 29.700 -0.246 0.000 0.916 571 E HN 0.566 nan 8.360 nan 0.000 0.500 572 N N 0.643 119.323 118.700 -0.033 0.000 2.727 572 N HA -0.200 4.538 4.740 -0.004 0.000 0.249 572 N C -0.746 174.819 175.510 0.091 0.000 1.048 572 N CA 0.185 53.276 53.050 0.069 0.000 0.714 572 N CB -1.173 37.406 38.487 0.153 0.000 0.959 572 N HN 0.215 nan 8.380 nan 0.000 0.544 573 I N 0.950 121.505 120.570 -0.026 0.000 2.412 573 I HA 0.338 4.505 4.170 -0.004 0.000 0.296 573 I C 0.582 176.653 176.117 -0.077 0.000 0.987 573 I CA -0.823 60.467 61.300 -0.017 0.000 1.180 573 I CB 1.378 39.373 38.000 -0.008 0.000 1.340 573 I HN 0.035 nan 8.210 nan 0.000 0.455 574 I N 6.559 127.092 120.570 -0.062 0.000 2.396 574 I HA 0.146 4.314 4.170 -0.004 0.000 0.289 574 I C -0.397 175.682 176.117 -0.063 0.000 1.056 574 I CA -0.390 60.827 61.300 -0.138 0.000 1.365 574 I CB 0.925 38.839 38.000 -0.144 0.000 1.407 574 I HN 0.195 nan 8.210 nan 0.000 0.509 575 V N 6.959 126.824 119.914 -0.082 0.000 2.328 575 V HA 0.583 4.701 4.120 -0.004 0.000 0.278 575 V C 0.440 176.543 176.094 0.015 0.000 1.021 575 V CA -0.409 61.897 62.300 0.010 0.000 0.838 575 V CB 1.031 32.859 31.823 0.007 0.000 0.999 575 V HN 0.833 nan 8.190 nan 0.000 0.447 576 A N 4.117 126.972 122.820 0.058 0.000 2.330 576 A HA 0.953 5.271 4.320 -0.004 0.000 0.329 576 A C -0.139 177.586 177.584 0.236 0.000 1.135 576 A CA -0.515 51.552 52.037 0.050 0.000 0.817 576 A CB 1.695 20.541 19.000 -0.257 0.000 1.269 576 A HN 0.681 nan 8.150 nan 0.000 0.469 577 S N -0.404 115.491 115.700 0.326 0.000 2.546 577 S HA 0.740 5.208 4.470 -0.004 0.000 0.274 577 S C -1.525 173.439 174.600 0.607 0.000 1.121 577 S CA -0.297 58.150 58.200 0.411 0.000 0.887 577 S CB 1.334 64.715 63.200 0.302 0.000 1.094 577 S HN 0.758 nan 8.310 nan 0.000 0.474 578 F N 1.750 121.942 119.950 0.402 0.000 2.569 578 F HA 0.475 5.000 4.527 -0.004 0.000 0.312 578 F C -1.545 174.458 175.800 0.338 0.000 1.109 578 F CA -0.688 57.566 58.000 0.425 0.000 0.919 578 F CB 1.529 40.743 39.000 0.356 0.000 1.211 578 F HN 0.397 nan 8.300 nan 0.000 0.446 579 D N 4.549 124.760 120.400 -0.316 0.000 2.473 579 D HA 0.371 5.009 4.640 -0.004 0.000 0.226 579 D C 0.327 176.436 176.300 -0.318 0.000 1.089 579 D CA 0.119 54.041 54.000 -0.131 0.000 0.883 579 D CB 1.475 42.322 40.800 0.078 0.000 1.029 579 D HN 0.759 nan 8.370 nan 0.000 0.517 580 G N 1.245 109.979 108.800 -0.111 0.000 2.782 580 G HA2 0.291 4.249 3.960 -0.004 0.000 0.201 580 G HA3 0.291 4.249 3.960 -0.004 0.000 0.201 580 G C 0.132 175.104 174.900 0.120 0.000 1.374 580 G CA -0.720 44.341 45.100 -0.065 0.000 1.039 580 G HN 0.283 nan 8.290 nan 0.000 0.576 581 R N -0.618 119.918 120.500 0.060 0.000 2.585 581 R HA 0.350 4.688 4.340 -0.004 0.000 0.275 581 R C 1.264 177.666 176.300 0.170 0.000 1.018 581 R CA 1.508 57.712 56.100 0.173 0.000 1.072 581 R CB 0.386 30.754 30.300 0.113 0.000 0.953 581 R HN 1.062 nan 8.270 nan 0.000 0.419 582 G N 1.124 110.015 108.800 0.153 0.000 2.258 582 G HA2 -0.332 3.625 3.960 -0.004 0.000 0.233 582 G HA3 -0.332 3.625 3.960 -0.004 0.000 0.233 582 G C 0.151 175.086 174.900 0.058 0.000 1.006 582 G CA 0.131 45.299 45.100 0.113 0.000 0.620 582 G HN 0.734 nan 8.290 nan 0.000 0.511 583 S N 0.514 116.263 115.700 0.081 0.000 2.584 583 S HA 0.626 5.094 4.470 -0.004 0.000 0.270 583 S C 0.863 175.453 174.600 -0.018 0.000 1.346 583 S CA 0.551 58.789 58.200 0.063 0.000 1.018 583 S CB 1.733 65.006 63.200 0.121 0.000 0.899 583 S HN 1.694 nan 8.310 nan 0.000 0.542 584 G N -0.733 108.010 108.800 -0.095 0.000 2.613 584 G HA2 0.503 4.461 3.960 -0.004 0.000 0.303 584 G HA3 0.503 4.461 3.960 -0.004 0.000 0.303 584 G C -0.978 173.760 174.900 -0.269 0.000 1.312 584 G CA -1.063 43.814 45.100 -0.370 0.000 1.036 584 G HN 0.946 nan 8.290 nan 0.000 0.513 585 Y N -2.337 117.959 120.300 -0.007 0.000 4.490 585 Y HA -0.210 4.338 4.550 -0.004 0.000 0.233 585 Y C 1.309 177.210 175.900 0.001 0.000 1.101 585 Y CA 1.036 59.138 58.100 0.002 0.000 2.010 585 Y CB -2.214 36.264 38.460 0.029 0.000 1.622 585 Y HN 0.540 nan 8.280 nan 0.000 0.675 586 Q N -0.153 119.653 119.800 0.010 0.000 2.084 586 Q HA 0.506 4.843 4.340 -0.004 0.000 0.230 586 Q C 0.862 176.740 176.000 -0.205 0.000 0.806 586 Q CA 0.184 55.998 55.803 0.019 0.000 1.083 586 Q CB 1.631 30.380 28.738 0.018 0.000 1.208 586 Q HN 0.595 nan 8.270 nan 0.000 0.462 587 G N 0.742 109.287 108.800 -0.425 0.000 2.663 587 G HA2 -0.177 3.780 3.960 -0.004 0.000 0.686 587 G HA3 -0.177 3.780 3.960 -0.004 0.000 0.686 587 G C -0.464 174.069 174.900 -0.611 0.000 1.246 587 G CA -0.589 43.990 45.100 -0.869 0.000 0.795 587 G HN 0.113 nan 8.290 nan 0.000 0.627 588 D N 0.158 120.158 120.400 -0.667 0.000 2.219 588 D HA -0.054 4.584 4.640 -0.004 0.000 0.205 588 D C 2.264 178.276 176.300 -0.479 0.000 0.970 588 D CA 1.401 54.962 54.000 -0.731 0.000 0.851 588 D CB 0.060 40.381 40.800 -0.797 0.000 0.943 588 D HN 0.527 nan 8.370 nan 0.000 0.488 589 K N 1.005 121.186 120.400 -0.364 0.000 2.044 589 K HA -0.107 4.211 4.320 -0.004 0.000 0.210 589 K C 1.897 178.419 176.600 -0.129 0.000 1.049 589 K CA 1.123 57.288 56.287 -0.204 0.000 0.927 589 K CB -0.402 31.989 32.500 -0.181 0.000 0.713 589 K HN 0.152 nan 8.250 nan 0.000 0.443 590 I N -0.350 120.133 120.570 -0.144 0.000 2.339 590 I HA -0.133 4.035 4.170 -0.004 0.000 0.245 590 I C 2.562 178.667 176.117 -0.020 0.000 1.096 590 I CA 0.980 62.266 61.300 -0.023 0.000 1.408 590 I CB -0.167 37.834 38.000 0.002 0.000 1.092 590 I HN 0.271 nan 8.210 nan 0.000 0.423 591 M N 0.298 119.813 119.600 -0.142 0.000 2.086 591 M HA -0.256 4.222 4.480 -0.004 0.000 0.261 591 M C 1.901 178.226 176.300 0.042 0.000 1.067 591 M CA 2.052 57.291 55.300 -0.102 0.000 1.116 591 M CB -0.348 32.083 32.600 -0.282 0.000 1.348 591 M HN 0.259 nan 8.290 nan 0.000 0.407 592 H N -0.711 118.237 119.070 -0.202 0.000 2.543 592 H HA 0.168 4.721 4.556 -0.004 0.000 0.269 592 H C 1.767 177.100 175.328 0.008 0.000 1.005 592 H CA 0.037 55.968 56.048 -0.195 0.000 1.146 592 H CB 0.065 29.617 29.762 -0.349 0.000 1.353 592 H HN 0.525 nan 8.280 nan 0.000 0.595 593 A N 1.502 124.420 122.820 0.164 0.000 2.019 593 A HA -0.123 4.195 4.320 -0.004 0.000 0.219 593 A C 2.035 179.818 177.584 0.332 0.000 1.164 593 A CA 1.025 53.183 52.037 0.201 0.000 0.644 593 A CB -0.609 18.478 19.000 0.144 0.000 0.805 593 A HN 0.588 nan 8.150 nan 0.000 0.449 594 I N -3.215 117.527 120.570 0.286 0.000 3.904 594 I HA 0.163 4.331 4.170 -0.004 0.000 0.333 594 I C 0.379 176.592 176.117 0.159 0.000 1.361 594 I CA -0.488 60.942 61.300 0.216 0.000 1.116 594 I CB -0.620 37.480 38.000 0.167 0.000 1.028 594 I HN 0.207 nan 8.210 nan 0.000 0.398 595 N N 3.068 121.903 118.700 0.224 0.000 2.359 595 N HA -0.093 4.645 4.740 -0.004 0.000 0.261 595 N C 0.210 175.754 175.510 0.057 0.000 1.267 595 N CA 0.321 53.501 53.050 0.217 0.000 0.864 595 N CB 0.312 38.874 38.487 0.125 0.000 1.063 595 N HN 0.410 nan 8.380 nan 0.000 0.474 596 R N 0.546 121.059 120.500 0.022 0.000 4.000 596 R HA -0.197 4.141 4.340 -0.004 0.000 0.362 596 R C -0.273 175.898 176.300 -0.215 0.000 1.183 596 R CA 0.855 56.916 56.100 -0.066 0.000 1.011 596 R CB -0.867 29.409 30.300 -0.040 0.000 1.501 596 R HN 0.564 nan 8.270 nan 0.000 0.553 597 R N 0.703 121.068 120.500 -0.225 0.000 2.772 597 R HA 0.347 4.684 4.340 -0.004 0.000 0.358 597 R C -0.470 175.775 176.300 -0.092 0.000 1.143 597 R CA -0.201 55.634 56.100 -0.443 0.000 1.153 597 R CB 0.522 30.560 30.300 -0.436 0.000 1.329 597 R HN 0.086 nan 8.270 nan 0.000 0.615 598 L N -0.480 120.771 121.223 0.047 0.000 2.483 598 L HA 0.232 4.569 4.340 -0.004 0.000 0.276 598 L C 1.313 178.416 176.870 0.389 0.000 1.213 598 L CA 0.897 55.813 54.840 0.128 0.000 0.843 598 L CB 0.533 42.443 42.059 -0.248 0.000 1.107 598 L HN 0.675 nan 8.230 nan 0.000 0.487 599 G N 0.814 109.878 108.800 0.439 0.000 2.143 599 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.249 599 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.249 599 G C 0.443 175.426 174.900 0.138 0.000 0.981 599 G CA 0.562 45.862 45.100 0.334 0.000 0.665 599 G HN 0.835 nan 8.290 nan 0.000 0.528 600 T N -3.471 111.129 114.554 0.076 0.000 3.257 600 T HA 0.465 4.813 4.350 -0.004 0.000 0.176 600 T C 1.652 176.351 174.700 -0.001 0.000 0.892 600 T CA 0.920 62.973 62.100 -0.078 0.000 1.147 600 T CB -0.072 68.564 68.868 -0.387 0.000 1.840 600 T HN 0.142 nan 8.240 nan 0.000 0.375 601 F N 3.506 123.496 119.950 0.067 0.000 2.161 601 F HA 0.074 4.598 4.527 -0.004 0.000 0.300 601 F C 2.754 178.588 175.800 0.056 0.000 1.089 601 F CA 1.212 59.240 58.000 0.047 0.000 1.282 601 F CB -0.684 38.342 39.000 0.042 0.000 1.010 601 F HN 0.521 nan 8.300 nan 0.000 0.485 602 E N 0.571 120.932 120.200 0.267 0.000 2.274 602 E HA -0.094 4.254 4.350 -0.004 0.000 0.194 602 E C 1.978 178.684 176.600 0.176 0.000 0.996 602 E CA 1.148 57.679 56.400 0.218 0.000 0.840 602 E CB -0.823 29.011 29.700 0.223 0.000 0.772 602 E HN 0.306 nan 8.360 nan 0.000 0.491 603 V N 1.530 121.523 119.914 0.132 0.000 2.379 603 V HA -0.152 3.965 4.120 -0.004 0.000 0.243 603 V C 2.246 178.374 176.094 0.056 0.000 1.035 603 V CA 1.795 64.126 62.300 0.051 0.000 1.035 603 V CB -0.465 31.340 31.823 -0.029 0.000 0.673 603 V HN 0.181 nan 8.190 nan 0.000 0.457 604 E N 0.414 120.663 120.200 0.083 0.000 2.077 604 E HA -0.242 4.106 4.350 -0.004 0.000 0.193 604 E C 1.888 178.509 176.600 0.035 0.000 0.989 604 E CA 1.548 57.990 56.400 0.070 0.000 0.800 604 E CB -0.237 29.533 29.700 0.117 0.000 0.746 604 E HN 0.547 nan 8.360 nan 0.000 0.452 605 D N 0.478 120.911 120.400 0.055 0.000 2.182 605 D HA -0.166 4.471 4.640 -0.004 0.000 0.201 605 D C 1.940 178.199 176.300 -0.068 0.000 0.986 605 D CA 0.956 54.948 54.000 -0.014 0.000 0.847 605 D CB -0.160 40.678 40.800 0.064 0.000 0.942 605 D HN 0.029 nan 8.370 nan 0.000 0.467 606 Q N 0.183 120.020 119.800 0.061 0.000 2.079 606 Q HA -0.005 4.333 4.340 -0.004 0.000 0.200 606 Q C 2.163 178.195 176.000 0.054 0.000 0.974 606 Q CA 0.851 56.705 55.803 0.085 0.000 0.840 606 Q CB -0.220 28.595 28.738 0.129 0.000 0.898 606 Q HN 0.344 nan 8.270 nan 0.000 0.430 607 I N 0.021 120.637 120.570 0.077 0.000 2.202 607 I HA -0.226 3.942 4.170 -0.004 0.000 0.242 607 I C 2.158 178.242 176.117 -0.055 0.000 1.091 607 I CA 1.298 62.690 61.300 0.153 0.000 1.368 607 I CB -0.255 37.821 38.000 0.126 0.000 1.058 607 I HN 0.217 nan 8.210 nan 0.000 0.410 608 E N 1.553 121.662 120.200 -0.150 0.000 2.153 608 E HA -0.203 4.145 4.350 -0.004 0.000 0.194 608 E C 2.050 178.360 176.600 -0.483 0.000 0.988 608 E CA 1.599 57.842 56.400 -0.262 0.000 0.811 608 E CB -0.146 29.412 29.700 -0.236 0.000 0.746 608 E HN 0.430 nan 8.360 nan 0.000 0.466 609 A N 0.643 123.048 122.820 -0.693 0.000 1.930 609 A HA 0.007 4.324 4.320 -0.004 0.000 0.217 609 A C 2.438 179.379 177.584 -1.072 0.000 1.175 609 A CA 1.898 53.208 52.037 -1.212 0.000 0.627 609 A CB -0.937 17.216 19.000 -1.411 0.000 0.815 609 A HN 0.379 nan 8.150 nan 0.000 0.443 610 A N -0.103 122.466 122.820 -0.419 0.000 1.902 610 A HA -0.163 4.155 4.320 -0.004 0.000 0.217 610 A C 2.242 179.673 177.584 -0.254 0.000 1.181 610 A CA 1.528 53.466 52.037 -0.165 0.000 0.623 610 A CB -0.466 18.434 19.000 -0.167 0.000 0.818 610 A HN 0.553 nan 8.150 nan 0.000 0.443 611 R N -0.778 119.543 120.500 -0.298 0.000 2.080 611 R HA -0.152 4.185 4.340 -0.004 0.000 0.236 611 R C 2.478 178.623 176.300 -0.258 0.000 1.137 611 R CA 1.566 57.520 56.100 -0.244 0.000 0.943 611 R CB -0.406 29.767 30.300 -0.212 0.000 0.846 611 R HN 0.538 nan 8.270 nan 0.000 0.431 612 Q N -0.089 119.485 119.800 -0.377 0.000 2.112 612 Q HA -0.183 4.155 4.340 -0.004 0.000 0.206 612 Q C 2.064 177.899 176.000 -0.274 0.000 0.987 612 Q CA 1.596 57.178 55.803 -0.369 0.000 0.858 612 Q CB -0.275 28.144 28.738 -0.532 0.000 0.905 612 Q HN 0.305 nan 8.270 nan 0.000 0.420 613 F N 0.778 120.576 119.950 -0.255 0.000 2.234 613 F HA -0.079 4.446 4.527 -0.004 0.000 0.299 613 F C 2.579 178.219 175.800 -0.268 0.000 1.087 613 F CA 0.652 58.498 58.000 -0.256 0.000 1.340 613 F CB -0.890 38.005 39.000 -0.175 0.000 1.031 613 F HN -0.057 nan 8.300 nan 0.000 0.500 614 S N 0.179 115.848 115.700 -0.052 0.000 2.359 614 S HA -0.206 4.262 4.470 -0.004 0.000 0.224 614 S C 1.842 176.349 174.600 -0.155 0.000 1.035 614 S CA 1.268 59.404 58.200 -0.107 0.000 1.018 614 S CB -0.394 62.736 63.200 -0.118 0.000 0.876 614 S HN 0.367 nan 8.310 nan 0.000 0.448 615 K N 0.870 121.179 120.400 -0.151 0.000 2.519 615 K HA 0.079 4.397 4.320 -0.004 0.000 0.196 615 K C 1.654 178.141 176.600 -0.188 0.000 1.041 615 K CA 0.676 56.876 56.287 -0.146 0.000 0.954 615 K CB -0.253 32.173 32.500 -0.124 0.000 0.774 615 K HN 0.425 nan 8.250 nan 0.000 0.480 616 M N -0.723 118.701 119.600 -0.293 0.000 2.557 616 M HA -0.011 4.466 4.480 -0.004 0.000 0.259 616 M C 1.390 177.367 176.300 -0.538 0.000 1.086 616 M CA 1.143 56.169 55.300 -0.457 0.000 1.096 616 M CB 0.064 32.219 32.600 -0.740 0.000 1.424 616 M HN 0.493 nan 8.290 nan 0.000 0.488 617 G N 1.106 109.667 108.800 -0.399 0.000 2.253 617 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.251 617 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.251 617 G C 0.415 175.257 174.900 -0.096 0.000 0.998 617 G CA 0.412 45.388 45.100 -0.207 0.000 0.621 617 G HN 0.591 nan 8.290 nan 0.000 0.524 618 F N 0.412 120.426 119.950 0.107 0.000 2.684 618 F HA 0.783 5.308 4.527 -0.004 0.000 0.298 618 F C 0.088 176.015 175.800 0.211 0.000 1.120 618 F CA -1.709 56.396 58.000 0.174 0.000 1.332 618 F CB -0.055 39.120 39.000 0.292 0.000 0.986 618 F HN 0.094 nan 8.300 nan 0.000 0.524 619 V N 0.977 120.981 119.914 0.151 0.000 2.604 619 V HA 0.264 4.382 4.120 -0.004 0.000 0.305 619 V C -0.863 175.249 176.094 0.029 0.000 1.043 619 V CA -0.797 61.586 62.300 0.138 0.000 0.888 619 V CB 1.965 33.821 31.823 0.055 0.000 0.995 619 V HN 0.077 nan 8.190 nan 0.000 0.429 620 D N 3.184 123.586 120.400 0.004 0.000 2.393 620 D HA 0.138 4.776 4.640 -0.004 0.000 0.232 620 D C 1.091 177.356 176.300 -0.059 0.000 1.192 620 D CA 0.244 54.214 54.000 -0.050 0.000 0.882 620 D CB 0.336 41.079 40.800 -0.095 0.000 1.038 620 D HN 0.544 nan 8.370 nan 0.000 0.499 621 N N 2.623 121.289 118.700 -0.056 0.000 2.513 621 N HA -0.131 4.606 4.740 -0.004 0.000 0.187 621 N C 0.890 176.370 175.510 -0.050 0.000 1.056 621 N CA 0.627 53.639 53.050 -0.064 0.000 0.907 621 N CB 0.392 38.837 38.487 -0.070 0.000 0.954 621 N HN 0.418 nan 8.380 nan 0.000 0.445 622 K N 0.489 120.866 120.400 -0.038 0.000 2.361 622 K HA 0.080 4.398 4.320 -0.004 0.000 0.196 622 K C 0.311 176.926 176.600 0.025 0.000 1.039 622 K CA 0.469 56.751 56.287 -0.009 0.000 1.001 622 K CB 0.377 32.870 32.500 -0.011 0.000 0.795 622 K HN 0.013 nan 8.250 nan 0.000 0.495 623 R N 1.233 121.723 120.500 -0.018 0.000 2.748 623 R HA 0.350 4.687 4.340 -0.004 0.000 0.283 623 R C -0.981 175.337 176.300 0.030 0.000 1.507 623 R CA -0.070 56.029 56.100 -0.002 0.000 1.666 623 R CB 0.593 30.697 30.300 -0.326 0.000 1.237 623 R HN -0.016 nan 8.270 nan 0.000 0.633 624 I N 1.206 121.896 120.570 0.200 0.000 2.382 624 I HA 0.549 4.717 4.170 -0.004 0.000 0.286 624 I C 0.022 176.427 176.117 0.480 0.000 1.002 624 I CA -0.748 60.697 61.300 0.242 0.000 1.135 624 I CB 1.796 39.782 38.000 -0.023 0.000 1.288 624 I HN 0.341 nan 8.210 nan 0.000 0.448 625 A N 7.351 130.551 122.820 0.634 0.000 2.346 625 A HA 0.915 5.233 4.320 -0.004 0.000 0.313 625 A C -1.001 176.934 177.584 0.585 0.000 1.140 625 A CA -0.649 51.724 52.037 0.560 0.000 0.826 625 A CB 2.043 21.224 19.000 0.301 0.000 1.332 625 A HN 0.732 nan 8.150 nan 0.000 0.457 626 I N 0.415 121.234 120.570 0.415 0.000 2.802 626 I HA 0.715 4.883 4.170 -0.004 0.000 0.298 626 I C -2.008 174.350 176.117 0.402 0.000 1.176 626 I CA -0.616 60.856 61.300 0.287 0.000 1.025 626 I CB 1.784 39.649 38.000 -0.225 0.000 1.243 626 I HN 0.946 nan 8.210 nan 0.000 0.424 627 W N 6.944 128.364 121.300 0.201 0.000 3.248 627 W HA 0.798 5.456 4.660 -0.004 0.000 0.311 627 W C -1.625 175.051 176.519 0.261 0.000 1.258 627 W CA -0.889 56.598 57.345 0.236 0.000 1.191 627 W CB 0.982 30.639 29.460 0.329 0.000 1.389 627 W HN 0.843 nan 8.180 nan 0.000 0.561 628 G N 1.192 109.885 108.800 -0.178 0.000 2.601 628 G HA2 0.476 4.433 3.960 -0.004 0.000 0.291 628 G HA3 0.476 4.433 3.960 -0.004 0.000 0.291 628 G C -2.818 172.044 174.900 -0.064 0.000 1.456 628 G CA -0.717 44.157 45.100 -0.377 0.000 0.804 628 G HN 0.618 nan 8.290 nan 0.000 0.499 629 W N 1.086 122.276 121.300 -0.183 0.000 2.736 629 W HA 0.636 5.294 4.660 -0.004 0.000 0.335 629 W C 0.761 177.345 176.519 0.108 0.000 1.059 629 W CA 0.284 57.611 57.345 -0.029 0.000 1.226 629 W CB 1.831 31.268 29.460 -0.038 0.000 1.416 629 W HN 1.355 nan 8.180 nan 0.000 0.505 630 S N 2.761 118.753 115.700 0.487 0.000 4.118 630 S HA -0.421 4.046 4.470 -0.004 0.000 0.624 630 S C 1.075 175.817 174.600 0.235 0.000 1.929 630 S CA 1.653 60.151 58.200 0.497 0.000 4.219 630 S CB -1.862 61.789 63.200 0.751 0.000 0.206 630 S HN 0.746 nan 8.310 nan 0.000 0.525 631 Y N 2.525 122.847 120.300 0.036 0.000 2.256 631 Y HA 0.056 4.604 4.550 -0.004 0.000 0.288 631 Y C 2.353 178.160 175.900 -0.155 0.000 1.155 631 Y CA 2.580 60.583 58.100 -0.161 0.000 1.203 631 Y CB -1.025 37.144 38.460 -0.485 0.000 0.980 631 Y HN 0.549 nan 8.280 nan 0.000 0.530 632 G N -0.830 107.959 108.800 -0.019 0.000 2.418 632 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.217 632 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.217 632 G C 1.948 176.885 174.900 0.062 0.000 1.158 632 G CA 0.787 45.920 45.100 0.056 0.000 0.771 632 G HN 0.562 nan 8.290 nan 0.000 0.545 633 G N -0.242 108.611 108.800 0.089 0.000 2.422 633 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.218 633 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.218 633 G C 1.623 176.565 174.900 0.071 0.000 1.146 633 G CA 1.165 46.305 45.100 0.067 0.000 0.769 633 G HN 0.434 nan 8.290 nan 0.000 0.547 634 Y N 1.360 121.584 120.300 -0.127 0.000 2.114 634 Y HA -0.123 4.425 4.550 -0.004 0.000 0.284 634 Y C 2.794 178.614 175.900 -0.133 0.000 1.143 634 Y CA 1.605 59.580 58.100 -0.208 0.000 1.135 634 Y CB -0.594 37.605 38.460 -0.434 0.000 0.980 634 Y HN 0.026 nan 8.280 nan 0.000 0.499 635 V N -0.123 119.680 119.914 -0.186 0.000 2.287 635 V HA -0.353 3.765 4.120 -0.004 0.000 0.248 635 V C 2.350 178.326 176.094 -0.196 0.000 1.053 635 V CA 2.481 64.645 62.300 -0.227 0.000 1.027 635 V CB -1.221 30.611 31.823 0.017 0.000 0.646 635 V HN 0.514 nan 8.190 nan 0.000 0.447 636 T N -0.074 114.422 114.554 -0.097 0.000 2.635 636 T HA -0.216 4.132 4.350 -0.004 0.000 0.267 636 T C 2.125 176.759 174.700 -0.109 0.000 1.040 636 T CA 2.098 64.149 62.100 -0.081 0.000 1.156 636 T CB -0.308 68.596 68.868 0.059 0.000 0.863 636 T HN 0.545 nan 8.240 nan 0.000 0.430 637 S N 1.063 116.742 115.700 -0.035 0.000 2.368 637 S HA -0.034 4.434 4.470 -0.004 0.000 0.225 637 S C 2.149 176.660 174.600 -0.149 0.000 1.030 637 S CA 0.967 59.172 58.200 0.009 0.000 0.999 637 S CB -0.302 62.969 63.200 0.117 0.000 0.844 637 S HN 0.312 nan 8.310 nan 0.000 0.459 638 M N 0.929 120.357 119.600 -0.286 0.000 2.117 638 M HA -0.037 4.441 4.480 -0.004 0.000 0.262 638 M C 2.226 178.361 176.300 -0.274 0.000 1.065 638 M CA 1.106 56.215 55.300 -0.319 0.000 1.114 638 M CB -1.380 30.918 32.600 -0.505 0.000 1.361 638 M HN 0.185 nan 8.290 nan 0.000 0.408 639 V N 0.576 120.320 119.914 -0.284 0.000 2.307 639 V HA -0.233 3.885 4.120 -0.004 0.000 0.245 639 V C 2.487 178.382 176.094 -0.332 0.000 1.045 639 V CA 1.353 63.487 62.300 -0.276 0.000 1.024 639 V CB -0.611 30.989 31.823 -0.373 0.000 0.651 639 V HN 0.401 nan 8.190 nan 0.000 0.449 640 L N 0.434 121.388 121.223 -0.448 0.000 2.265 640 L HA -0.071 4.267 4.340 -0.004 0.000 0.215 640 L C 2.164 178.486 176.870 -0.914 0.000 1.117 640 L CA 1.452 55.931 54.840 -0.602 0.000 0.782 640 L CB -0.665 40.988 42.059 -0.677 0.000 0.914 640 L HN 0.485 nan 8.230 nan 0.000 0.441 641 G N -1.542 106.748 108.800 -0.850 0.000 3.189 641 G HA2 -0.039 3.919 3.960 -0.004 0.000 0.225 641 G HA3 -0.039 3.919 3.960 -0.004 0.000 0.225 641 G C 1.477 176.213 174.900 -0.273 0.000 1.159 641 G CA 0.550 45.255 45.100 -0.659 0.000 0.763 641 G HN 0.412 nan 8.290 nan 0.000 0.549 642 S N -0.526 115.040 115.700 -0.223 0.000 2.496 642 S HA 0.294 4.761 4.470 -0.004 0.000 0.224 642 S C 1.927 176.482 174.600 -0.075 0.000 0.996 642 S CA 1.030 59.163 58.200 -0.113 0.000 0.927 642 S CB -0.142 63.010 63.200 -0.079 0.000 0.774 642 S HN 1.370 nan 8.310 nan 0.000 0.524 643 G N 1.386 110.133 108.800 -0.090 0.000 2.147 643 G HA2 -0.331 3.627 3.960 -0.004 0.000 0.244 643 G HA3 -0.331 3.627 3.960 -0.004 0.000 0.244 643 G C 0.906 175.794 174.900 -0.020 0.000 1.005 643 G CA 0.888 45.958 45.100 -0.049 0.000 0.713 643 G HN 1.289 nan 8.290 nan 0.000 0.515 644 S N -0.674 115.025 115.700 -0.001 0.000 2.453 644 S HA 0.306 4.774 4.470 -0.004 0.000 0.231 644 S C 2.555 177.159 174.600 0.005 0.000 1.005 644 S CA 1.640 59.849 58.200 0.016 0.000 0.949 644 S CB -0.217 63.020 63.200 0.062 0.000 0.774 644 S HN 2.407 nan 8.310 nan 0.000 0.510 645 G N 0.110 108.920 108.800 0.016 0.000 2.189 645 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.267 645 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.267 645 G C 0.822 175.707 174.900 -0.025 0.000 0.975 645 G CA 0.497 45.598 45.100 0.002 0.000 0.644 645 G HN 0.711 nan 8.290 nan 0.000 0.537 646 V N -0.401 119.479 119.914 -0.056 0.000 2.453 646 V HA 0.223 4.340 4.120 -0.004 0.000 0.247 646 V C 1.377 177.238 176.094 -0.388 0.000 1.048 646 V CA 1.634 63.768 62.300 -0.277 0.000 1.049 646 V CB -0.410 31.121 31.823 -0.487 0.000 0.672 646 V HN 0.321 nan 8.190 nan 0.000 0.457 647 F N -0.181 119.786 119.950 0.028 0.000 2.422 647 F HA 0.389 4.914 4.527 -0.004 0.000 0.333 647 F C 1.161 177.005 175.800 0.074 0.000 1.095 647 F CA -0.452 57.591 58.000 0.071 0.000 1.038 647 F CB 1.361 40.406 39.000 0.074 0.000 1.156 647 F HN -0.257 nan 8.300 nan 0.000 0.483 648 K N 1.154 121.720 120.400 0.276 0.000 2.128 648 K HA 0.123 4.441 4.320 -0.004 0.000 0.202 648 K C -0.099 176.626 176.600 0.207 0.000 1.050 648 K CA 0.894 57.302 56.287 0.202 0.000 0.966 648 K CB 0.266 32.884 32.500 0.197 0.000 0.759 648 K HN 0.804 nan 8.250 nan 0.000 0.454 649 c N -2.507 116.247 118.600 0.255 0.000 3.332 649 c HA 0.914 5.482 4.570 -0.004 0.000 0.329 649 c C -0.219 174.085 174.090 0.356 0.000 1.434 649 c CA -0.575 55.926 56.329 0.288 0.000 1.314 649 c CB 1.081 43.690 42.510 0.166 0.000 1.664 649 c HN 0.378 nan 8.230 nan 0.000 0.457 650 G N -0.082 109.004 108.800 0.476 0.000 2.673 650 G HA2 0.686 4.643 3.960 -0.004 0.000 0.292 650 G HA3 0.686 4.643 3.960 -0.004 0.000 0.292 650 G C -1.995 173.163 174.900 0.431 0.000 1.450 650 G CA -0.673 44.682 45.100 0.426 0.000 0.837 650 G HN 0.980 nan 8.290 nan 0.000 0.505 651 I N 0.946 121.741 120.570 0.375 0.000 2.418 651 I HA 0.601 4.768 4.170 -0.004 0.000 0.287 651 I C 0.229 176.502 176.117 0.260 0.000 1.008 651 I CA -0.931 60.490 61.300 0.202 0.000 1.104 651 I CB 2.158 40.273 38.000 0.193 0.000 1.264 651 I HN 0.638 nan 8.210 nan 0.000 0.438 652 A N 6.700 129.570 122.820 0.083 0.000 2.287 652 A HA 0.764 5.082 4.320 -0.004 0.000 0.317 652 A C -0.687 176.832 177.584 -0.108 0.000 1.220 652 A CA -0.494 51.588 52.037 0.075 0.000 0.835 652 A CB 1.031 20.143 19.000 0.187 0.000 1.180 652 A HN 0.449 nan 8.150 nan 0.000 0.500 653 V N 2.134 121.937 119.914 -0.186 0.000 2.384 653 V HA 0.574 4.692 4.120 -0.004 0.000 0.287 653 V C 0.921 176.612 176.094 -0.672 0.000 1.020 653 V CA 0.296 62.263 62.300 -0.555 0.000 0.850 653 V CB 0.776 31.991 31.823 -1.013 0.000 0.987 653 V HN 2.084 nan 8.190 nan 0.000 0.436 654 A N 5.607 128.004 122.820 -0.704 0.000 2.466 654 A HA -0.103 4.215 4.320 -0.004 0.000 0.295 654 A C -1.725 175.681 177.584 -0.296 0.000 1.465 654 A CA 0.453 51.967 52.037 -0.871 0.000 0.744 654 A CB -1.558 17.095 19.000 -0.578 0.000 1.098 654 A HN 0.621 nan 8.150 nan 0.000 0.402 655 P HA 0.453 nan 4.420 nan 0.000 0.279 655 P C 0.073 177.345 177.300 -0.046 0.000 1.252 655 P CA -0.294 62.785 63.100 -0.035 0.000 0.811 655 P CB 1.336 33.042 31.700 0.011 0.000 1.035 656 V N 1.741 121.539 119.914 -0.192 0.000 2.607 656 V HA 0.140 4.258 4.120 -0.004 0.000 0.289 656 V C 1.609 177.494 176.094 -0.348 0.000 1.053 656 V CA 0.666 62.699 62.300 -0.444 0.000 0.996 656 V CB 0.975 32.163 31.823 -1.059 0.000 0.995 656 V HN 0.829 nan 8.190 nan 0.000 0.476 657 S N 3.576 119.096 115.700 -0.300 0.000 2.593 657 S HA 0.253 4.720 4.470 -0.004 0.000 0.235 657 S C 0.431 174.833 174.600 -0.330 0.000 1.059 657 S CA -0.376 57.718 58.200 -0.177 0.000 0.953 657 S CB 0.317 63.489 63.200 -0.047 0.000 0.897 657 S HN 0.840 nan 8.310 nan 0.000 0.507 658 R N -1.144 119.019 120.500 -0.562 0.000 2.535 658 R HA 0.462 4.799 4.340 -0.004 0.000 0.274 658 R C -0.892 175.023 176.300 -0.641 0.000 1.090 658 R CA -0.860 54.860 56.100 -0.634 0.000 0.930 658 R CB -0.211 29.670 30.300 -0.699 0.000 1.223 658 R HN 0.116 nan 8.270 nan 0.000 0.441 659 W N 1.573 122.774 121.300 -0.166 0.000 2.364 659 W HA -0.063 4.594 4.660 -0.004 0.000 0.281 659 W C 1.154 177.797 176.519 0.208 0.000 1.219 659 W CA 1.046 58.394 57.345 0.006 0.000 1.220 659 W CB 0.196 29.595 29.460 -0.100 0.000 1.127 659 W HN 0.729 nan 8.180 nan 0.000 0.556 660 E N -1.052 119.304 120.200 0.260 0.000 2.409 660 E HA -0.187 4.160 4.350 -0.004 0.000 0.198 660 E C 1.183 177.920 176.600 0.227 0.000 1.024 660 E CA 0.747 57.255 56.400 0.179 0.000 0.861 660 E CB -0.204 29.501 29.700 0.009 0.000 0.788 660 E HN 0.379 nan 8.360 nan 0.000 0.521 661 Y N -1.629 118.748 120.300 0.128 0.000 2.500 661 Y HA 0.084 4.631 4.550 -0.004 0.000 0.270 661 Y C 0.598 176.578 175.900 0.133 0.000 1.134 661 Y CA -0.393 57.754 58.100 0.079 0.000 1.293 661 Y CB -0.383 38.071 38.460 -0.010 0.000 1.063 661 Y HN 0.008 nan 8.280 nan 0.000 0.534 662 Y N 1.961 122.403 120.300 0.237 0.000 2.392 662 Y HA 0.290 4.838 4.550 -0.004 0.000 0.323 662 Y C 0.359 176.477 175.900 0.363 0.000 1.291 662 Y CA -2.040 56.212 58.100 0.253 0.000 1.345 662 Y CB 0.400 39.036 38.460 0.294 0.000 1.320 662 Y HN 0.197 nan 8.280 nan 0.000 0.518 663 D N -0.532 119.553 120.400 -0.524 0.000 2.368 663 D HA 0.101 4.739 4.640 -0.004 0.000 0.240 663 D C 0.976 177.286 176.300 0.016 0.000 1.169 663 D CA 0.349 54.179 54.000 -0.283 0.000 0.906 663 D CB 0.911 41.315 40.800 -0.659 0.000 1.187 663 D HN 0.492 nan 8.370 nan 0.000 0.435 664 S N 1.180 116.891 115.700 0.019 0.000 2.351 664 S HA -0.251 4.217 4.470 -0.004 0.000 0.220 664 S C 1.946 176.593 174.600 0.078 0.000 1.035 664 S CA 1.329 59.586 58.200 0.096 0.000 1.031 664 S CB -1.120 62.139 63.200 0.098 0.000 0.928 664 S HN 0.444 nan 8.310 nan 0.000 0.433 665 V N 1.000 120.893 119.914 -0.035 0.000 2.252 665 V HA -0.205 3.913 4.120 -0.004 0.000 0.249 665 V C 2.333 178.366 176.094 -0.102 0.000 1.056 665 V CA 2.385 64.570 62.300 -0.193 0.000 1.022 665 V CB -1.159 30.394 31.823 -0.449 0.000 0.641 665 V HN 0.615 nan 8.190 nan 0.000 0.445 666 Y N 1.310 121.576 120.300 -0.057 0.000 2.130 666 Y HA -0.211 4.337 4.550 -0.004 0.000 0.287 666 Y C 2.745 178.686 175.900 0.068 0.000 1.124 666 Y CA 2.294 60.439 58.100 0.074 0.000 1.118 666 Y CB -0.731 37.967 38.460 0.397 0.000 0.994 666 Y HN 0.229 nan 8.280 nan 0.000 0.497 667 T N 0.476 115.337 114.554 0.511 0.000 2.652 667 T HA -0.230 4.118 4.350 -0.004 0.000 0.267 667 T C 1.581 176.310 174.700 0.049 0.000 1.039 667 T CA 2.029 64.342 62.100 0.355 0.000 1.153 667 T CB -0.394 68.811 68.868 0.562 0.000 0.863 667 T HN 0.439 nan 8.240 nan 0.000 0.428 668 E N 0.418 120.665 120.200 0.080 0.000 2.265 668 E HA -0.107 4.241 4.350 -0.004 0.000 0.196 668 E C 2.330 178.842 176.600 -0.148 0.000 0.996 668 E CA 0.481 56.907 56.400 0.043 0.000 0.832 668 E CB -0.118 29.645 29.700 0.104 0.000 0.756 668 E HN 0.339 nan 8.360 nan 0.000 0.491 669 R N -0.049 120.210 120.500 -0.402 0.000 2.096 669 R HA -0.172 4.166 4.340 -0.004 0.000 0.235 669 R C 1.173 176.977 176.300 -0.827 0.000 1.127 669 R CA 1.485 57.163 56.100 -0.704 0.000 0.968 669 R CB 0.041 29.604 30.300 -1.228 0.000 0.861 669 R HN 0.224 nan 8.270 nan 0.000 0.440 670 Y N -2.185 117.822 120.300 -0.488 0.000 2.507 670 Y HA 0.232 4.779 4.550 -0.004 0.000 0.263 670 Y C 1.620 177.342 175.900 -0.297 0.000 1.093 670 Y CA 0.021 57.824 58.100 -0.495 0.000 1.285 670 Y CB 0.483 38.509 38.460 -0.722 0.000 1.115 670 Y HN -0.040 nan 8.280 nan 0.000 0.533 671 M N -0.411 119.088 119.600 -0.167 0.000 2.308 671 M HA 0.367 4.845 4.480 -0.004 0.000 0.269 671 M C 1.067 177.382 176.300 0.024 0.000 1.040 671 M CA 0.730 55.921 55.300 -0.182 0.000 1.024 671 M CB -0.268 32.014 32.600 -0.530 0.000 1.465 671 M HN 0.328 nan 8.290 nan 0.000 0.517 672 G N 1.995 110.832 108.800 0.061 0.000 2.645 672 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.246 672 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.246 672 G C -0.450 174.608 174.900 0.263 0.000 1.322 672 G CA -0.701 44.476 45.100 0.129 0.000 0.898 672 G HN 0.363 nan 8.290 nan 0.000 0.573 673 L N 2.102 123.443 121.223 0.197 0.000 2.350 673 L HA 0.404 4.742 4.340 -0.004 0.000 0.275 673 L C -1.314 175.585 176.870 0.049 0.000 1.099 673 L CA -1.687 53.228 54.840 0.125 0.000 0.808 673 L CB 1.766 43.853 42.059 0.047 0.000 1.149 673 L HN 0.457 nan 8.230 nan 0.000 0.442 674 P HA 0.056 nan 4.420 nan 0.000 0.218 674 P C -0.498 176.663 177.300 -0.231 0.000 1.793 674 P CA -0.080 62.621 63.100 -0.664 0.000 0.941 674 P CB -0.407 30.557 31.700 -1.227 0.000 1.919 675 T N -3.126 111.383 114.554 -0.075 0.000 2.924 675 T HA 0.456 4.803 4.350 -0.004 0.000 0.291 675 T C -1.987 172.718 174.700 0.010 0.000 1.045 675 T CA -2.390 59.690 62.100 -0.032 0.000 1.015 675 T CB 2.024 70.881 68.868 -0.019 0.000 1.103 675 T HN -0.222 nan 8.240 nan 0.000 0.496 676 P HA -0.105 nan 4.420 nan 0.000 0.218 676 P C 0.715 178.033 177.300 0.029 0.000 1.148 676 P CA 1.286 64.401 63.100 0.024 0.000 0.822 676 P CB 0.104 31.813 31.700 0.016 0.000 0.784 677 E N -0.979 119.235 120.200 0.022 0.000 2.478 677 E HA -0.064 4.283 4.350 -0.004 0.000 0.198 677 E C 1.367 177.986 176.600 0.032 0.000 1.046 677 E CA 0.655 57.068 56.400 0.022 0.000 0.870 677 E CB -0.284 29.424 29.700 0.014 0.000 0.818 677 E HN 0.340 nan 8.360 nan 0.000 0.527 678 D N -0.727 119.700 120.400 0.046 0.000 3.112 678 D HA 0.069 4.707 4.640 -0.004 0.000 0.212 678 D C 0.135 176.494 176.300 0.099 0.000 1.376 678 D CA 0.033 54.072 54.000 0.065 0.000 1.411 678 D CB -0.020 40.822 40.800 0.070 0.000 0.965 678 D HN -0.047 nan 8.370 nan 0.000 0.192 679 N N 0.078 118.873 118.700 0.159 0.000 2.299 679 N HA 0.104 4.842 4.740 -0.004 0.000 0.246 679 N C 1.022 176.732 175.510 0.334 0.000 1.254 679 N CA -0.084 53.104 53.050 0.230 0.000 0.879 679 N CB 0.231 38.867 38.487 0.249 0.000 1.214 679 N HN 0.115 nan 8.380 nan 0.000 0.510 680 L N 0.492 121.841 121.223 0.209 0.000 2.043 680 L HA -0.127 4.211 4.340 -0.004 0.000 0.212 680 L C 1.157 178.143 176.870 0.194 0.000 1.075 680 L CA 2.028 56.968 54.840 0.167 0.000 0.752 680 L CB -0.476 41.610 42.059 0.045 0.000 0.891 680 L HN 0.127 nan 8.230 nan 0.000 0.432 681 D N -1.437 119.053 120.400 0.150 0.000 2.133 681 D HA -0.258 4.380 4.640 -0.004 0.000 0.195 681 D C 2.090 178.480 176.300 0.149 0.000 0.997 681 D CA 1.784 55.860 54.000 0.125 0.000 0.840 681 D CB -0.221 40.641 40.800 0.103 0.000 0.947 681 D HN 0.607 nan 8.370 nan 0.000 0.452 682 H N -1.014 118.122 119.070 0.109 0.000 2.428 682 H HA -0.048 4.505 4.556 -0.004 0.000 0.296 682 H C 1.696 177.086 175.328 0.104 0.000 1.062 682 H CA 1.131 57.220 56.048 0.068 0.000 1.350 682 H CB -0.265 29.502 29.762 0.007 0.000 1.403 682 H HN 0.136 nan 8.280 nan 0.000 0.533 683 Y N 0.387 120.681 120.300 -0.010 0.000 2.128 683 Y HA -0.178 4.370 4.550 -0.004 0.000 0.284 683 Y C 2.291 178.157 175.900 -0.056 0.000 1.154 683 Y CA 1.543 59.642 58.100 -0.000 0.000 1.149 683 Y CB 0.127 38.619 38.460 0.053 0.000 0.976 683 Y HN 0.116 nan 8.280 nan 0.000 0.505 684 R N -0.186 120.391 120.500 0.128 0.000 2.236 684 R HA -0.067 4.271 4.340 -0.004 0.000 0.208 684 R C 1.378 177.670 176.300 -0.012 0.000 1.036 684 R CA 0.635 56.760 56.100 0.042 0.000 1.001 684 R CB -0.785 29.541 30.300 0.043 0.000 0.896 684 R HN 0.507 nan 8.270 nan 0.000 0.464 685 N N 0.469 119.133 118.700 -0.060 0.000 2.373 685 N HA -0.046 4.691 4.740 -0.004 0.000 0.181 685 N C 0.164 175.602 175.510 -0.120 0.000 1.082 685 N CA 0.355 53.361 53.050 -0.074 0.000 0.885 685 N CB 0.429 38.898 38.487 -0.030 0.000 0.977 685 N HN 0.084 nan 8.380 nan 0.000 0.462 686 S N -0.134 115.450 115.700 -0.193 0.000 2.574 686 S HA 0.060 4.528 4.470 -0.004 0.000 0.242 686 S C 0.513 175.153 174.600 0.066 0.000 0.982 686 S CA -0.745 57.411 58.200 -0.073 0.000 0.977 686 S CB -0.101 63.023 63.200 -0.126 0.000 0.814 686 S HN 0.164 nan 8.310 nan 0.000 0.464 687 T N -1.532 113.017 114.554 -0.008 0.000 2.913 687 T HA 0.494 4.842 4.350 -0.004 0.000 0.287 687 T C 1.283 175.979 174.700 -0.006 0.000 1.008 687 T CA -0.618 61.464 62.100 -0.031 0.000 1.067 687 T CB 1.338 70.155 68.868 -0.086 0.000 0.996 687 T HN -0.041 nan 8.240 nan 0.000 0.513 688 V N 2.003 121.913 119.914 -0.006 0.000 2.453 688 V HA -0.110 4.008 4.120 -0.004 0.000 0.247 688 V C 2.616 178.691 176.094 -0.032 0.000 1.048 688 V CA 1.596 63.890 62.300 -0.011 0.000 1.049 688 V CB -0.896 30.920 31.823 -0.011 0.000 0.672 688 V HN 0.831 nan 8.190 nan 0.000 0.457 689 M N 1.107 120.668 119.600 -0.064 0.000 2.144 689 M HA -0.161 4.317 4.480 -0.004 0.000 0.260 689 M C 2.274 178.548 176.300 -0.043 0.000 1.067 689 M CA 2.127 57.381 55.300 -0.076 0.000 1.095 689 M CB -0.985 31.578 32.600 -0.061 0.000 1.365 689 M HN 0.520 nan 8.290 nan 0.000 0.406 690 S N -0.652 115.033 115.700 -0.024 0.000 2.547 690 S HA -0.043 4.425 4.470 -0.004 0.000 0.235 690 S C 1.681 176.287 174.600 0.010 0.000 0.980 690 S CA 0.587 58.781 58.200 -0.009 0.000 0.941 690 S CB -0.359 62.835 63.200 -0.010 0.000 0.763 690 S HN 0.510 nan 8.310 nan 0.000 0.532 691 R N 0.190 120.710 120.500 0.034 0.000 2.468 691 R HA 0.495 4.833 4.340 -0.004 0.000 0.280 691 R C 2.056 178.462 176.300 0.177 0.000 0.963 691 R CA 0.443 56.589 56.100 0.076 0.000 1.083 691 R CB -0.134 30.202 30.300 0.060 0.000 1.200 691 R HN 0.424 nan 8.270 nan 0.000 0.541 692 A N 1.403 124.277 122.820 0.090 0.000 1.927 692 A HA -0.303 4.015 4.320 -0.004 0.000 0.220 692 A C 2.023 179.690 177.584 0.139 0.000 1.185 692 A CA 2.049 54.109 52.037 0.038 0.000 0.639 692 A CB -0.283 18.667 19.000 -0.083 0.000 0.820 692 A HN 0.303 nan 8.150 nan 0.000 0.451 693 E N 0.601 120.856 120.200 0.091 0.000 2.118 693 E HA -0.181 4.167 4.350 -0.004 0.000 0.195 693 E C 1.661 178.319 176.600 0.097 0.000 0.992 693 E CA 1.635 58.083 56.400 0.080 0.000 0.804 693 E CB -0.269 29.459 29.700 0.047 0.000 0.741 693 E HN 0.622 nan 8.360 nan 0.000 0.458 694 N N -0.460 118.294 118.700 0.090 0.000 2.453 694 N HA -0.111 4.626 4.740 -0.004 0.000 0.183 694 N C 0.960 176.466 175.510 -0.008 0.000 1.041 694 N CA 0.561 53.619 53.050 0.014 0.000 0.900 694 N CB -0.233 38.214 38.487 -0.066 0.000 0.961 694 N HN 0.256 nan 8.380 nan 0.000 0.443 695 F N 1.430 121.337 119.950 -0.071 0.000 2.641 695 F HA 0.003 4.528 4.527 -0.004 0.000 0.298 695 F C 1.998 177.803 175.800 0.007 0.000 1.146 695 F CA 0.608 58.562 58.000 -0.078 0.000 1.464 695 F CB 0.119 39.025 39.000 -0.157 0.000 1.101 695 F HN -0.060 nan 8.300 nan 0.000 0.585 696 K N -0.066 120.431 120.400 0.163 0.000 2.283 696 K HA -0.148 4.169 4.320 -0.004 0.000 0.202 696 K C 1.636 178.296 176.600 0.100 0.000 1.048 696 K CA 0.903 57.269 56.287 0.131 0.000 0.948 696 K CB -0.120 32.438 32.500 0.097 0.000 0.742 696 K HN 0.393 nan 8.250 nan 0.000 0.458 697 Q N 0.289 120.126 119.800 0.061 0.000 2.451 697 Q HA -0.002 4.336 4.340 -0.004 0.000 0.206 697 Q C 0.434 176.469 176.000 0.058 0.000 0.947 697 Q CA 0.266 56.095 55.803 0.043 0.000 0.937 697 Q CB 0.403 29.146 28.738 0.009 0.000 1.025 697 Q HN 0.148 nan 8.270 nan 0.000 0.511 698 V N -3.567 116.397 119.914 0.082 0.000 3.167 698 V HA 0.472 4.590 4.120 -0.004 0.000 0.310 698 V C -1.365 174.864 176.094 0.226 0.000 1.207 698 V CA -1.329 61.046 62.300 0.125 0.000 1.059 698 V CB 2.306 34.169 31.823 0.068 0.000 1.079 698 V HN -0.079 nan 8.190 nan 0.000 0.446 699 E N 1.067 121.433 120.200 0.276 0.000 2.134 699 E HA 0.499 4.847 4.350 -0.004 0.000 0.278 699 E C -1.928 175.044 176.600 0.619 0.000 0.959 699 E CA -0.369 56.272 56.400 0.401 0.000 0.783 699 E CB 1.774 31.640 29.700 0.277 0.000 1.095 699 E HN 0.665 nan 8.360 nan 0.000 0.399 700 Y N 3.433 124.003 120.300 0.450 0.000 2.409 700 Y HA 0.481 5.028 4.550 -0.004 0.000 0.343 700 Y C -1.692 174.289 175.900 0.136 0.000 0.973 700 Y CA -1.509 56.793 58.100 0.337 0.000 1.064 700 Y CB 1.105 39.798 38.460 0.389 0.000 1.207 700 Y HN 0.417 nan 8.280 nan 0.000 0.452 701 L N 7.690 128.659 121.223 -0.423 0.000 2.343 701 L HA 0.597 4.935 4.340 -0.004 0.000 0.278 701 L C -2.215 174.231 176.870 -0.707 0.000 0.996 701 L CA -0.803 53.634 54.840 -0.671 0.000 0.831 701 L CB 1.308 42.660 42.059 -1.178 0.000 1.232 701 L HN 0.638 nan 8.230 nan 0.000 0.413 702 L N 6.646 127.522 121.223 -0.578 0.000 2.296 702 L HA 0.704 5.041 4.340 -0.004 0.000 0.286 702 L C -1.119 175.628 176.870 -0.206 0.000 1.023 702 L CA -0.004 54.543 54.840 -0.488 0.000 0.812 702 L CB 1.136 42.932 42.059 -0.439 0.000 1.223 702 L HN 0.598 nan 8.230 nan 0.000 0.421 703 I N 4.555 125.018 120.570 -0.177 0.000 2.582 703 I HA 0.465 4.633 4.170 -0.004 0.000 0.292 703 I C -1.163 174.937 176.117 -0.029 0.000 1.066 703 I CA -0.702 60.548 61.300 -0.083 0.000 1.053 703 I CB 2.064 39.980 38.000 -0.140 0.000 1.241 703 I HN 0.680 nan 8.210 nan 0.000 0.421 704 H N 2.230 121.347 119.070 0.079 0.000 3.086 704 H HA 0.473 5.026 4.556 -0.004 0.000 0.353 704 H C -0.380 175.174 175.328 0.377 0.000 1.134 704 H CA -0.640 55.503 56.048 0.159 0.000 1.248 704 H CB 2.022 31.820 29.762 0.061 0.000 1.878 704 H HN 0.758 nan 8.280 nan 0.000 0.527 705 G N 0.928 110.092 108.800 0.606 0.000 2.390 705 G HA2 0.200 4.158 3.960 -0.004 0.000 0.270 705 G HA3 0.200 4.158 3.960 -0.004 0.000 0.270 705 G C 1.147 176.322 174.900 0.458 0.000 1.211 705 G CA 0.133 45.532 45.100 0.498 0.000 0.842 705 G HN 0.744 nan 8.290 nan 0.000 0.519 706 T N -0.786 113.900 114.554 0.220 0.000 3.035 706 T HA 0.090 4.438 4.350 -0.004 0.000 0.268 706 T C 1.655 176.348 174.700 -0.012 0.000 1.109 706 T CA 1.253 63.305 62.100 -0.079 0.000 1.119 706 T CB 0.170 68.916 68.868 -0.203 0.000 0.900 706 T HN 0.693 nan 8.240 nan 0.000 0.503 707 A N 0.993 123.880 122.820 0.113 0.000 2.708 707 A HA 0.311 4.629 4.320 -0.004 0.000 0.293 707 A C 0.377 177.948 177.584 -0.022 0.000 1.303 707 A CA -0.520 51.569 52.037 0.086 0.000 0.949 707 A CB -0.249 19.070 19.000 0.532 0.000 1.121 707 A HN 0.372 nan 8.150 nan 0.000 0.542 708 D N 1.598 121.996 120.400 -0.003 0.000 2.342 708 D HA -0.007 4.631 4.640 -0.004 0.000 0.260 708 D C 0.284 176.548 176.300 -0.059 0.000 1.278 708 D CA 0.156 54.247 54.000 0.153 0.000 0.910 708 D CB 0.676 41.716 40.800 0.400 0.000 1.079 708 D HN 0.568 nan 8.370 nan 0.000 0.496 709 D N 2.348 122.771 120.400 0.038 0.000 2.348 709 D HA -0.133 4.505 4.640 -0.004 0.000 0.211 709 D C 0.974 177.246 176.300 -0.047 0.000 0.998 709 D CA -0.090 53.882 54.000 -0.047 0.000 0.873 709 D CB 0.444 41.199 40.800 -0.075 0.000 0.925 709 D HN 0.223 nan 8.370 nan 0.000 0.524 710 N N 0.946 119.713 118.700 0.111 0.000 2.335 710 N HA -0.055 4.682 4.740 -0.004 0.000 0.197 710 N C -0.040 175.374 175.510 -0.161 0.000 1.045 710 N CA 0.491 53.637 53.050 0.159 0.000 0.928 710 N CB 0.245 38.865 38.487 0.221 0.000 1.118 710 N HN -0.113 nan 8.380 nan 0.000 0.471 711 V N 3.876 123.706 119.914 -0.140 0.000 2.320 711 V HA 0.174 4.291 4.120 -0.004 0.000 0.265 711 V C -0.593 175.513 176.094 0.021 0.000 1.048 711 V CA -0.627 61.629 62.300 -0.074 0.000 0.865 711 V CB -0.071 31.746 31.823 -0.010 0.000 1.043 711 V HN 0.329 nan 8.190 nan 0.000 0.474 712 H N 3.813 122.846 119.070 -0.062 0.000 2.972 712 H HA -0.015 4.538 4.556 -0.004 0.000 0.343 712 H C 0.900 176.052 175.328 -0.294 0.000 1.054 712 H CA -0.205 55.721 56.048 -0.203 0.000 1.412 712 H CB 0.471 30.037 29.762 -0.327 0.000 1.385 712 H HN 0.627 nan 8.280 nan 0.000 0.600 713 F N 2.278 121.981 119.950 -0.412 0.000 2.184 713 F HA -0.313 4.212 4.527 -0.004 0.000 0.301 713 F C 2.567 178.091 175.800 -0.460 0.000 1.076 713 F CA 2.014 59.579 58.000 -0.726 0.000 1.295 713 F CB -0.095 38.676 39.000 -0.382 0.000 1.026 713 F HN 0.676 nan 8.300 nan 0.000 0.494 714 Q N 0.133 119.795 119.800 -0.230 0.000 2.197 714 Q HA -0.317 4.021 4.340 -0.004 0.000 0.211 714 Q C 2.051 177.831 176.000 -0.368 0.000 0.993 714 Q CA 2.300 57.923 55.803 -0.300 0.000 0.883 714 Q CB -0.379 28.146 28.738 -0.355 0.000 0.916 714 Q HN 0.608 nan 8.270 nan 0.000 0.418 715 Q N -0.357 119.281 119.800 -0.270 0.000 2.084 715 Q HA -0.107 4.231 4.340 -0.004 0.000 0.202 715 Q C 2.186 178.111 176.000 -0.124 0.000 0.978 715 Q CA 1.690 57.459 55.803 -0.056 0.000 0.844 715 Q CB -0.011 28.764 28.738 0.061 0.000 0.898 715 Q HN 0.340 nan 8.270 nan 0.000 0.426 716 S N 0.536 116.056 115.700 -0.300 0.000 2.446 716 S HA 0.056 4.524 4.470 -0.004 0.000 0.225 716 S C 1.981 176.345 174.600 -0.392 0.000 1.016 716 S CA 0.583 58.604 58.200 -0.298 0.000 0.943 716 S CB 0.046 63.075 63.200 -0.284 0.000 0.786 716 S HN 0.439 nan 8.310 nan 0.000 0.508 717 A N 1.339 123.835 122.820 -0.539 0.000 1.972 717 A HA -0.100 4.218 4.320 -0.004 0.000 0.219 717 A C 2.103 179.591 177.584 -0.160 0.000 1.169 717 A CA 1.042 52.887 52.037 -0.320 0.000 0.635 717 A CB -0.314 18.556 19.000 -0.216 0.000 0.810 717 A HN 0.338 nan 8.150 nan 0.000 0.446 718 Q N -0.620 119.097 119.800 -0.138 0.000 2.245 718 Q HA 0.068 4.406 4.340 -0.004 0.000 0.201 718 Q C 2.039 177.992 176.000 -0.080 0.000 0.955 718 Q CA 0.791 56.564 55.803 -0.050 0.000 0.870 718 Q CB -0.202 28.584 28.738 0.081 0.000 0.945 718 Q HN 0.772 nan 8.270 nan 0.000 0.461 719 I N 1.068 121.563 120.570 -0.125 0.000 2.202 719 I HA -0.258 3.909 4.170 -0.004 0.000 0.242 719 I C 2.517 178.470 176.117 -0.274 0.000 1.091 719 I CA 1.359 62.541 61.300 -0.198 0.000 1.368 719 I CB -0.301 37.588 38.000 -0.186 0.000 1.058 719 I HN 0.168 nan 8.210 nan 0.000 0.410 720 S N 0.877 116.447 115.700 -0.217 0.000 2.368 720 S HA -0.279 4.189 4.470 -0.004 0.000 0.225 720 S C 2.041 176.618 174.600 -0.039 0.000 1.030 720 S CA 1.431 59.542 58.200 -0.148 0.000 0.999 720 S CB -0.469 62.800 63.200 0.116 0.000 0.844 720 S HN 0.351 nan 8.310 nan 0.000 0.459 721 K N 1.789 122.170 120.400 -0.032 0.000 2.063 721 K HA -0.010 4.308 4.320 -0.004 0.000 0.208 721 K C 2.300 178.883 176.600 -0.029 0.000 1.048 721 K CA 1.247 57.531 56.287 -0.006 0.000 0.928 721 K CB -0.723 31.769 32.500 -0.012 0.000 0.713 721 K HN 0.452 nan 8.250 nan 0.000 0.442 722 A N 0.903 123.677 122.820 -0.076 0.000 1.933 722 A HA -0.109 4.209 4.320 -0.004 0.000 0.218 722 A C 2.073 179.594 177.584 -0.105 0.000 1.175 722 A CA 1.301 53.286 52.037 -0.086 0.000 0.628 722 A CB -0.525 18.407 19.000 -0.113 0.000 0.814 722 A HN 0.332 nan 8.150 nan 0.000 0.444 723 L N -0.817 120.299 121.223 -0.179 0.000 2.109 723 L HA -0.104 4.233 4.340 -0.004 0.000 0.207 723 L C 2.460 179.350 176.870 0.033 0.000 1.086 723 L CA 0.702 55.441 54.840 -0.168 0.000 0.760 723 L CB -0.433 41.346 42.059 -0.467 0.000 0.910 723 L HN 0.229 nan 8.230 nan 0.000 0.437 724 V N -0.232 119.738 119.914 0.093 0.000 2.358 724 V HA -0.272 3.846 4.120 -0.004 0.000 0.246 724 V C 1.920 178.054 176.094 0.066 0.000 1.047 724 V CA 1.825 64.201 62.300 0.128 0.000 1.035 724 V CB -0.490 31.407 31.823 0.124 0.000 0.658 724 V HN 0.395 nan 8.190 nan 0.000 0.452 725 D N 0.288 120.709 120.400 0.034 0.000 2.218 725 D HA -0.114 4.524 4.640 -0.004 0.000 0.204 725 D C 1.691 178.005 176.300 0.024 0.000 0.976 725 D CA 1.575 55.588 54.000 0.022 0.000 0.853 725 D CB -0.074 40.730 40.800 0.007 0.000 0.939 725 D HN 0.550 nan 8.370 nan 0.000 0.481 726 V N -4.087 115.843 119.914 0.025 0.000 3.483 726 V HA 0.516 4.633 4.120 -0.004 0.000 0.301 726 V C 1.167 177.291 176.094 0.050 0.000 1.389 726 V CA 0.182 62.501 62.300 0.032 0.000 1.101 726 V CB -0.074 31.765 31.823 0.026 0.000 0.971 726 V HN 0.133 nan 8.190 nan 0.000 0.434 727 G N 0.613 109.451 108.800 0.063 0.000 2.256 727 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.272 727 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.272 727 G C -0.146 174.817 174.900 0.105 0.000 1.076 727 G CA 0.217 45.364 45.100 0.078 0.000 0.882 727 G HN 0.900 nan 8.290 nan 0.000 0.497 728 V N 0.340 120.338 119.914 0.139 0.000 2.394 728 V HA 0.490 4.607 4.120 -0.004 0.000 0.282 728 V C 0.374 176.654 176.094 0.310 0.000 1.031 728 V CA -0.577 61.838 62.300 0.191 0.000 0.881 728 V CB 1.792 33.713 31.823 0.164 0.000 0.982 728 V HN 0.455 nan 8.190 nan 0.000 0.451 729 D N 3.872 124.430 120.400 0.263 0.000 2.304 729 D HA 0.623 5.261 4.640 -0.004 0.000 0.247 729 D C -0.596 175.946 176.300 0.404 0.000 1.089 729 D CA 0.128 54.273 54.000 0.241 0.000 0.910 729 D CB 0.868 41.745 40.800 0.127 0.000 1.199 729 D HN 0.361 nan 8.370 nan 0.000 0.426 730 F N -0.411 119.614 119.950 0.126 0.000 2.817 730 F HA 0.456 4.981 4.527 -0.004 0.000 0.317 730 F C -1.509 174.343 175.800 0.086 0.000 1.168 730 F CA -1.134 56.961 58.000 0.158 0.000 0.911 730 F CB 0.710 39.834 39.000 0.206 0.000 1.337 730 F HN 0.100 nan 8.300 nan 0.000 0.464 731 Q N 1.272 121.152 119.800 0.133 0.000 2.235 731 Q HA 0.815 5.152 4.340 -0.004 0.000 0.256 731 Q C -0.860 175.121 176.000 -0.031 0.000 0.951 731 Q CA -0.767 55.013 55.803 -0.038 0.000 0.890 731 Q CB 2.152 30.881 28.738 -0.016 0.000 1.279 731 Q HN 1.042 nan 8.270 nan 0.000 0.444 732 A N 1.873 124.644 122.820 -0.082 0.000 2.556 732 A HA 0.857 5.175 4.320 -0.004 0.000 0.294 732 A C -1.368 176.159 177.584 -0.094 0.000 1.091 732 A CA -0.580 51.444 52.037 -0.022 0.000 0.704 732 A CB 2.024 21.074 19.000 0.083 0.000 1.300 732 A HN 0.630 nan 8.150 nan 0.000 0.406 733 M N 1.167 120.702 119.600 -0.108 0.000 2.294 733 M HA 0.581 5.059 4.480 -0.004 0.000 0.280 733 M C -2.119 174.069 176.300 -0.186 0.000 1.085 733 M CA -0.441 54.660 55.300 -0.332 0.000 0.969 733 M CB 1.166 33.468 32.600 -0.496 0.000 1.770 733 M HN 1.004 nan 8.290 nan 0.000 0.485 734 W N 4.212 125.352 121.300 -0.267 0.000 2.578 734 W HA 0.789 5.446 4.660 -0.004 0.000 0.346 734 W C -2.085 174.169 176.519 -0.441 0.000 1.075 734 W CA -0.877 56.395 57.345 -0.121 0.000 1.233 734 W CB 0.488 29.921 29.460 -0.045 0.000 1.358 734 W HN 0.609 nan 8.180 nan 0.000 0.574 735 Y N 2.408 122.826 120.300 0.197 0.000 2.464 735 Y HA 0.303 4.850 4.550 -0.004 0.000 0.326 735 Y C 0.530 176.537 175.900 0.178 0.000 0.969 735 Y CA -1.104 57.029 58.100 0.055 0.000 1.270 735 Y CB 1.321 39.797 38.460 0.027 0.000 1.103 735 Y HN 0.440 nan 8.280 nan 0.000 0.491 736 T N 4.699 119.411 114.554 0.263 0.000 2.866 736 T HA -0.047 4.301 4.350 -0.004 0.000 0.293 736 T C 0.176 174.947 174.700 0.119 0.000 1.005 736 T CA 0.731 62.940 62.100 0.182 0.000 1.162 736 T CB -0.161 68.754 68.868 0.079 0.000 0.968 736 T HN 0.688 nan 8.240 nan 0.000 0.530 737 D N 1.044 121.488 120.400 0.073 0.000 3.059 737 D HA -0.125 4.513 4.640 -0.004 0.000 0.220 737 D C 0.267 176.693 176.300 0.210 0.000 1.169 737 D CA 1.128 55.109 54.000 -0.031 0.000 0.902 737 D CB -0.380 40.192 40.800 -0.380 0.000 1.116 737 D HN 0.550 nan 8.370 nan 0.000 0.417 738 E N 0.636 120.987 120.200 0.252 0.000 2.248 738 E HA 0.376 4.723 4.350 -0.004 0.000 0.272 738 E C 0.704 177.499 176.600 0.325 0.000 1.008 738 E CA -0.413 56.158 56.400 0.285 0.000 0.856 738 E CB 1.362 31.221 29.700 0.264 0.000 1.120 738 E HN 0.302 nan 8.360 nan 0.000 0.397 739 D N -0.694 119.910 120.400 0.341 0.000 2.541 739 D HA 0.011 4.649 4.640 -0.004 0.000 0.276 739 D C 1.053 177.603 176.300 0.416 0.000 1.190 739 D CA -0.192 54.032 54.000 0.374 0.000 1.095 739 D CB -0.165 40.876 40.800 0.402 0.000 1.173 739 D HN 0.398 nan 8.370 nan 0.000 0.604 740 H N -1.635 117.635 119.070 0.333 0.000 2.489 740 H HA 0.094 4.647 4.556 -0.004 0.000 0.295 740 H C 1.854 177.473 175.328 0.484 0.000 1.082 740 H CA 2.041 58.316 56.048 0.377 0.000 1.295 740 H CB -0.341 29.623 29.762 0.336 0.000 1.380 740 H HN 0.490 nan 8.280 nan 0.000 0.548 741 G N -0.408 108.605 108.800 0.354 0.000 2.683 741 G HA2 0.018 3.976 3.960 -0.004 0.000 0.213 741 G HA3 0.018 3.976 3.960 -0.004 0.000 0.213 741 G C 0.688 175.796 174.900 0.347 0.000 1.142 741 G CA 0.255 45.491 45.100 0.226 0.000 0.793 741 G HN 0.503 nan 8.290 nan 0.000 0.534 742 I N 0.258 121.045 120.570 0.360 0.000 5.158 742 I HA -0.337 3.830 4.170 -0.004 0.000 0.126 742 I C 1.648 177.905 176.117 0.232 0.000 1.344 742 I CA 0.154 61.610 61.300 0.261 0.000 2.637 742 I CB -1.161 36.964 38.000 0.207 0.000 2.338 742 I HN 0.263 nan 8.210 nan 0.000 0.320 743 A N 1.101 124.029 122.820 0.181 0.000 2.308 743 A HA 0.220 4.538 4.320 -0.004 0.000 0.217 743 A C 1.247 178.880 177.584 0.082 0.000 1.216 743 A CA 0.595 52.698 52.037 0.109 0.000 0.864 743 A CB 0.078 19.112 19.000 0.057 0.000 0.902 743 A HN 0.664 nan 8.150 nan 0.000 0.499 744 S N -0.294 115.471 115.700 0.109 0.000 2.568 744 S HA 0.135 4.603 4.470 -0.004 0.000 0.282 744 S C 1.226 175.879 174.600 0.090 0.000 1.338 744 S CA 0.373 58.629 58.200 0.093 0.000 1.045 744 S CB 1.039 64.302 63.200 0.105 0.000 0.873 744 S HN 0.501 nan 8.310 nan 0.000 0.516 745 S N 2.429 118.168 115.700 0.065 0.000 2.368 745 S HA -0.201 4.267 4.470 -0.004 0.000 0.226 745 S C 2.116 176.776 174.600 0.100 0.000 1.044 745 S CA 2.443 60.684 58.200 0.069 0.000 1.062 745 S CB -1.625 61.597 63.200 0.038 0.000 0.931 745 S HN 1.074 nan 8.310 nan 0.000 0.440 746 T N -0.100 114.502 114.554 0.079 0.000 2.737 746 T HA 0.130 4.478 4.350 -0.004 0.000 0.265 746 T C 2.003 176.756 174.700 0.090 0.000 1.038 746 T CA 1.428 63.576 62.100 0.079 0.000 1.144 746 T CB -1.044 67.860 68.868 0.061 0.000 0.866 746 T HN 0.485 nan 8.240 nan 0.000 0.434 747 A N 1.574 124.429 122.820 0.058 0.000 1.902 747 A HA -0.115 4.203 4.320 -0.004 0.000 0.217 747 A C 2.212 179.741 177.584 -0.093 0.000 1.181 747 A CA 2.143 54.145 52.037 -0.058 0.000 0.623 747 A CB -1.303 17.638 19.000 -0.098 0.000 0.818 747 A HN 0.792 nan 8.150 nan 0.000 0.443 748 H N -0.154 118.890 119.070 -0.043 0.000 2.290 748 H HA -0.157 4.397 4.556 -0.004 0.000 0.298 748 H C 2.114 177.489 175.328 0.079 0.000 1.087 748 H CA 2.395 58.468 56.048 0.041 0.000 1.291 748 H CB -0.267 29.533 29.762 0.063 0.000 1.369 748 H HN 0.580 nan 8.280 nan 0.000 0.492 749 Q N -0.950 118.836 119.800 -0.023 0.000 2.084 749 Q HA -0.194 4.143 4.340 -0.004 0.000 0.202 749 Q C 2.259 178.226 176.000 -0.054 0.000 0.978 749 Q CA 1.353 57.099 55.803 -0.095 0.000 0.844 749 Q CB -0.218 28.518 28.738 -0.003 0.000 0.898 749 Q HN 0.648 nan 8.270 nan 0.000 0.426 750 H N 0.719 119.747 119.070 -0.069 0.000 2.321 750 H HA -0.085 4.469 4.556 -0.004 0.000 0.300 750 H C 2.045 177.354 175.328 -0.033 0.000 1.087 750 H CA 1.394 57.435 56.048 -0.011 0.000 1.319 750 H CB 0.003 29.815 29.762 0.083 0.000 1.379 750 H HN 0.285 nan 8.280 nan 0.000 0.501 751 I N 0.078 120.580 120.570 -0.113 0.000 2.252 751 I HA -0.305 3.863 4.170 -0.004 0.000 0.245 751 I C 1.734 177.609 176.117 -0.403 0.000 1.102 751 I CA 1.152 62.307 61.300 -0.240 0.000 1.385 751 I CB -0.252 37.420 38.000 -0.547 0.000 1.064 751 I HN 0.128 nan 8.210 nan 0.000 0.414 752 Y N 0.927 121.000 120.300 -0.378 0.000 2.314 752 Y HA -0.176 4.372 4.550 -0.004 0.000 0.293 752 Y C 2.702 178.393 175.900 -0.348 0.000 1.129 752 Y CA 1.719 59.481 58.100 -0.562 0.000 1.201 752 Y CB -0.793 37.324 38.460 -0.573 0.000 0.999 752 Y HN 0.143 nan 8.280 nan 0.000 0.541 753 T N -1.721 112.754 114.554 -0.132 0.000 2.777 753 T HA -0.211 4.137 4.350 -0.004 0.000 0.266 753 T C 1.567 176.171 174.700 -0.160 0.000 1.040 753 T CA 1.793 63.794 62.100 -0.165 0.000 1.141 753 T CB -0.408 68.360 68.868 -0.167 0.000 0.868 753 T HN 0.405 nan 8.240 nan 0.000 0.444 754 H N 0.814 119.768 119.070 -0.194 0.000 2.353 754 H HA 0.113 4.667 4.556 -0.004 0.000 0.300 754 H C 2.149 177.468 175.328 -0.016 0.000 1.090 754 H CA 1.522 57.527 56.048 -0.072 0.000 1.327 754 H CB -0.207 29.498 29.762 -0.095 0.000 1.383 754 H HN 0.248 nan 8.280 nan 0.000 0.508 755 M N -0.873 118.685 119.600 -0.070 0.000 2.229 755 M HA -0.142 4.336 4.480 -0.004 0.000 0.264 755 M C 2.342 178.775 176.300 0.222 0.000 1.063 755 M CA 1.281 56.548 55.300 -0.054 0.000 1.114 755 M CB 0.086 32.414 32.600 -0.452 0.000 1.387 755 M HN 0.211 nan 8.290 nan 0.000 0.420 756 S N -0.595 115.249 115.700 0.240 0.000 2.356 756 S HA -0.146 4.322 4.470 -0.004 0.000 0.223 756 S C 1.689 176.372 174.600 0.138 0.000 1.032 756 S CA 0.980 59.386 58.200 0.344 0.000 1.005 756 S CB -0.547 62.833 63.200 0.300 0.000 0.867 756 S HN 0.470 nan 8.310 nan 0.000 0.449 757 H N -0.045 119.087 119.070 0.103 0.000 2.352 757 H HA -0.053 4.501 4.556 -0.004 0.000 0.299 757 H C 1.987 177.327 175.328 0.021 0.000 1.097 757 H CA 1.350 57.414 56.048 0.026 0.000 1.311 757 H CB -0.756 28.969 29.762 -0.062 0.000 1.377 757 H HN 0.430 nan 8.280 nan 0.000 0.504 758 F N 1.268 121.214 119.950 -0.007 0.000 2.102 758 F HA -0.194 4.330 4.527 -0.004 0.000 0.298 758 F C 2.322 178.087 175.800 -0.058 0.000 1.105 758 F CA 0.913 58.884 58.000 -0.049 0.000 1.239 758 F CB -0.299 38.657 39.000 -0.073 0.000 0.991 758 F HN -0.037 nan 8.300 nan 0.000 0.474 759 I N 0.605 121.198 120.570 0.038 0.000 2.179 759 I HA -0.278 3.890 4.170 -0.004 0.000 0.242 759 I C 2.263 178.195 176.117 -0.309 0.000 1.088 759 I CA 1.528 62.689 61.300 -0.233 0.000 1.357 759 I CB -1.340 36.600 38.000 -0.100 0.000 1.051 759 I HN 0.204 nan 8.210 nan 0.000 0.409 760 K N 0.183 120.542 120.400 -0.069 0.000 2.057 760 K HA -0.220 4.098 4.320 -0.004 0.000 0.207 760 K C 2.131 178.725 176.600 -0.011 0.000 1.049 760 K CA 1.155 57.453 56.287 0.020 0.000 0.931 760 K CB -0.222 32.333 32.500 0.093 0.000 0.714 760 K HN 0.314 nan 8.250 nan 0.000 0.440 761 Q N 1.176 120.930 119.800 -0.075 0.000 2.079 761 Q HA -0.202 4.136 4.340 -0.004 0.000 0.200 761 Q C 2.259 178.166 176.000 -0.156 0.000 0.974 761 Q CA 1.774 57.517 55.803 -0.099 0.000 0.840 761 Q CB -0.611 28.054 28.738 -0.123 0.000 0.898 761 Q HN 0.422 nan 8.270 nan 0.000 0.430 762 c N 0.261 118.659 118.600 -0.338 0.000 2.422 762 c HA -0.070 4.498 4.570 -0.004 0.000 0.279 762 c C 2.077 176.164 174.090 -0.005 0.000 1.305 762 c CA 0.380 56.522 56.329 -0.311 0.000 1.757 762 c CB -1.332 40.829 42.510 -0.581 0.000 1.962 762 c HN 0.514 nan 8.230 nan 0.000 0.499 763 F N 1.533 121.444 119.950 -0.065 0.000 2.693 763 F HA 0.268 4.792 4.527 -0.004 0.000 0.303 763 F C 1.597 177.382 175.800 -0.024 0.000 1.097 763 F CA 0.273 58.257 58.000 -0.028 0.000 1.330 763 F CB -1.160 37.831 39.000 -0.015 0.000 1.067 763 F HN 0.179 nan 8.300 nan 0.000 0.565 764 S N 1.082 116.865 115.700 0.138 0.000 3.706 764 S HA -0.195 4.273 4.470 -0.004 0.000 0.363 764 S C -0.096 174.551 174.600 0.079 0.000 0.999 764 S CA 0.119 58.365 58.200 0.077 0.000 1.143 764 S CB -1.961 61.274 63.200 0.058 0.000 0.902 764 S HN 0.228 nan 8.310 nan 0.000 0.476 765 L N 0.808 122.089 121.223 0.096 0.000 2.296 765 L HA 0.471 4.809 4.340 -0.004 0.000 0.286 765 L C -1.409 175.505 176.870 0.073 0.000 1.023 765 L CA -2.266 52.626 54.840 0.087 0.000 0.812 765 L CB 0.714 42.842 42.059 0.115 0.000 1.223 765 L HN 0.037 nan 8.230 nan 0.000 0.421 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.730 31.700 0.049 0.000 0.726