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 1nu8_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY 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 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.662 174.600 0.103 0.000 1.055 39 S CA 0.000 58.267 58.200 0.111 0.000 1.107 39 S CB 0.000 63.243 63.200 0.071 0.000 0.593 40 R N 2.283 122.851 120.500 0.113 0.000 1.368 40 R HA -0.259 4.079 4.340 -0.002 0.000 0.041 40 R C 0.403 176.764 176.300 0.101 0.000 0.958 40 R CA 2.601 58.758 56.100 0.094 0.000 1.925 40 R CB -1.538 28.803 30.300 0.069 0.000 0.221 40 R HN 0.774 nan 8.270 nan 0.000 0.717 41 K N 1.337 121.798 120.400 0.101 0.000 2.319 41 K HA 0.261 4.580 4.320 -0.002 0.000 0.265 41 K C 0.063 176.739 176.600 0.126 0.000 1.000 41 K CA 0.631 56.986 56.287 0.112 0.000 0.943 41 K CB 0.986 33.559 32.500 0.122 0.000 0.950 41 K HN 0.303 nan 8.250 nan 0.000 0.485 42 T N 1.070 115.706 114.554 0.136 0.000 2.949 42 T HA 0.199 4.547 4.350 -0.002 0.000 0.287 42 T C -1.558 173.260 174.700 0.198 0.000 1.034 42 T CA -0.679 61.516 62.100 0.157 0.000 1.018 42 T CB 0.381 69.339 68.868 0.151 0.000 1.135 42 T HN 0.491 nan 8.240 nan 0.000 0.532 43 Y N 1.834 122.198 120.300 0.107 0.000 2.436 43 Y HA 0.430 4.979 4.550 -0.002 0.000 0.343 43 Y C 0.506 176.564 175.900 0.263 0.000 1.008 43 Y CA 0.266 58.453 58.100 0.143 0.000 1.241 43 Y CB 0.514 39.021 38.460 0.079 0.000 1.153 43 Y HN 0.486 nan 8.280 nan 0.000 0.521 44 T N 6.597 121.017 114.554 -0.223 0.000 2.918 44 T HA 0.165 4.513 4.350 -0.002 0.000 0.286 44 T C 0.862 175.461 174.700 -0.168 0.000 1.026 44 T CA -0.684 61.405 62.100 -0.018 0.000 1.031 44 T CB 1.301 70.171 68.868 0.002 0.000 1.046 44 T HN 0.791 nan 8.240 nan 0.000 0.479 45 L N 3.276 124.314 121.223 -0.308 0.000 2.042 45 L HA -0.055 4.284 4.340 -0.002 0.000 0.210 45 L C 2.548 179.290 176.870 -0.213 0.000 1.076 45 L CA 2.152 56.684 54.840 -0.513 0.000 0.749 45 L CB -0.804 40.746 42.059 -0.849 0.000 0.893 45 L HN 0.779 nan 8.230 nan 0.000 0.432 46 T N -0.534 113.918 114.554 -0.170 0.000 2.720 46 T HA -0.200 4.148 4.350 -0.002 0.000 0.268 46 T C 1.494 176.115 174.700 -0.131 0.000 1.037 46 T CA 1.569 63.594 62.100 -0.125 0.000 1.144 46 T CB -0.423 68.397 68.868 -0.081 0.000 0.864 46 T HN 0.432 nan 8.240 nan 0.000 0.444 47 D N 0.025 120.325 120.400 -0.167 0.000 2.104 47 D HA -0.104 4.534 4.640 -0.002 0.000 0.194 47 D C 1.783 178.025 176.300 -0.097 0.000 0.994 47 D CA 1.174 55.065 54.000 -0.182 0.000 0.830 47 D CB -0.425 40.154 40.800 -0.367 0.000 0.959 47 D HN 0.454 nan 8.370 nan 0.000 0.452 48 Y N 1.390 121.563 120.300 -0.213 0.000 2.109 48 Y HA -0.174 4.375 4.550 -0.002 0.000 0.285 48 Y C 2.081 177.988 175.900 0.013 0.000 1.131 48 Y CA 1.027 59.156 58.100 0.048 0.000 1.121 48 Y CB -0.680 37.876 38.460 0.160 0.000 0.987 48 Y HN -0.155 nan 8.280 nan 0.000 0.495 49 L N 0.727 121.695 121.223 -0.425 0.000 2.042 49 L HA -0.186 4.152 4.340 -0.002 0.000 0.210 49 L C 2.172 178.888 176.870 -0.256 0.000 1.076 49 L CA 1.810 56.363 54.840 -0.477 0.000 0.749 49 L CB -0.963 40.916 42.059 -0.299 0.000 0.893 49 L HN 0.170 nan 8.230 nan 0.000 0.432 50 K N -0.958 119.344 120.400 -0.163 0.000 2.356 50 K HA 0.121 4.440 4.320 -0.002 0.000 0.195 50 K C 0.306 176.860 176.600 -0.077 0.000 1.037 50 K CA -0.014 56.212 56.287 -0.103 0.000 1.014 50 K CB -0.013 32.434 32.500 -0.089 0.000 0.815 50 K HN 0.276 nan 8.250 nan 0.000 0.507 51 N N 0.955 119.622 118.700 -0.056 0.000 2.816 51 N HA -0.134 4.605 4.740 -0.002 0.000 0.247 51 N C 0.319 175.816 175.510 -0.022 0.000 1.100 51 N CA 0.864 53.919 53.050 0.009 0.000 0.687 51 N CB -1.378 37.108 38.487 -0.000 0.000 1.003 51 N HN 0.116 nan 8.380 nan 0.000 0.554 52 T N -0.951 113.546 114.554 -0.095 0.000 2.653 52 T HA -0.204 4.145 4.350 -0.002 0.000 0.268 52 T C 0.583 175.053 174.700 -0.383 0.000 1.035 52 T CA 1.547 63.447 62.100 -0.333 0.000 1.154 52 T CB -0.163 68.379 68.868 -0.543 0.000 0.862 52 T HN 0.375 nan 8.240 nan 0.000 0.441 53 Y N 2.175 122.553 120.300 0.129 0.000 2.587 53 Y HA 0.424 4.973 4.550 -0.002 0.000 0.328 53 Y C 0.391 176.385 175.900 0.157 0.000 0.980 53 Y CA -1.141 57.057 58.100 0.163 0.000 1.272 53 Y CB 0.334 38.941 38.460 0.244 0.000 1.094 53 Y HN -0.009 nan 8.280 nan 0.000 0.503 54 R N 2.563 123.189 120.500 0.210 0.000 2.459 54 R HA 0.535 4.874 4.340 -0.002 0.000 0.281 54 R C -0.866 175.544 176.300 0.184 0.000 1.050 54 R CA -0.889 55.311 56.100 0.168 0.000 1.055 54 R CB 1.241 31.599 30.300 0.097 0.000 1.045 54 R HN 0.538 nan 8.270 nan 0.000 0.495 55 L N 2.595 123.924 121.223 0.177 0.000 2.319 55 L HA 0.221 4.560 4.340 -0.002 0.000 0.280 55 L C 0.471 177.421 176.870 0.133 0.000 1.099 55 L CA -0.130 54.821 54.840 0.185 0.000 0.828 55 L CB 0.644 42.826 42.059 0.205 0.000 1.150 55 L HN 0.410 nan 8.230 nan 0.000 0.442 56 K N 3.370 123.843 120.400 0.122 0.000 2.218 56 K HA 0.521 4.840 4.320 -0.002 0.000 0.276 56 K C -0.598 175.984 176.600 -0.029 0.000 1.022 56 K CA -0.391 55.929 56.287 0.056 0.000 0.946 56 K CB 0.982 33.517 32.500 0.058 0.000 1.000 56 K HN 0.446 nan 8.250 nan 0.000 0.468 57 L N 2.216 123.364 121.223 -0.124 0.000 2.335 57 L HA 0.472 4.810 4.340 -0.002 0.000 0.268 57 L C -0.999 175.602 176.870 -0.448 0.000 1.016 57 L CA -1.101 53.538 54.840 -0.335 0.000 0.805 57 L CB 0.971 42.959 42.059 -0.118 0.000 1.311 57 L HN 0.596 nan 8.230 nan 0.000 0.456 58 Y N 0.043 119.875 120.300 -0.781 0.000 2.317 58 Y HA 0.289 4.837 4.550 -0.002 0.000 0.329 58 Y C -0.788 174.928 175.900 -0.307 0.000 1.101 58 Y CA -0.484 57.301 58.100 -0.525 0.000 1.228 58 Y CB 1.704 39.733 38.460 -0.717 0.000 1.123 58 Y HN 0.360 nan 8.280 nan 0.000 0.457 59 S N 6.854 122.485 115.700 -0.114 0.000 2.498 59 S HA 0.579 5.048 4.470 -0.002 0.000 0.324 59 S C -0.889 173.664 174.600 -0.079 0.000 1.071 59 S CA -0.741 57.431 58.200 -0.045 0.000 1.113 59 S CB 0.388 63.583 63.200 -0.007 0.000 0.976 59 S HN 0.571 nan 8.310 nan 0.000 0.462 60 L N 1.656 122.765 121.223 -0.191 0.000 2.330 60 L HA 0.761 5.099 4.340 -0.002 0.000 0.271 60 L C -0.810 175.946 176.870 -0.189 0.000 1.013 60 L CA -0.935 53.718 54.840 -0.312 0.000 0.816 60 L CB 1.122 42.607 42.059 -0.957 0.000 1.287 60 L HN 0.488 nan 8.230 nan 0.000 0.435 61 R N 1.739 122.190 120.500 -0.081 0.000 2.360 61 R HA 0.446 4.785 4.340 -0.002 0.000 0.318 61 R C -1.334 175.011 176.300 0.075 0.000 0.950 61 R CA -0.323 55.803 56.100 0.043 0.000 0.837 61 R CB 1.141 31.522 30.300 0.134 0.000 1.165 61 R HN 0.617 nan 8.270 nan 0.000 0.458 62 W N 3.800 125.203 121.300 0.171 0.000 2.158 62 W HA 0.127 4.786 4.660 -0.002 0.000 0.339 62 W C 1.410 178.005 176.519 0.127 0.000 1.294 62 W CA -0.372 57.084 57.345 0.185 0.000 1.231 62 W CB 0.488 30.057 29.460 0.183 0.000 1.143 62 W HN 0.639 nan 8.180 nan 0.000 0.571 63 I N -0.435 120.337 120.570 0.338 0.000 4.327 63 I HA 0.312 4.481 4.170 -0.002 0.000 0.331 63 I C 0.446 176.652 176.117 0.148 0.000 1.348 63 I CA -0.213 61.189 61.300 0.171 0.000 1.152 63 I CB -0.221 37.796 38.000 0.029 0.000 1.151 63 I HN 0.284 nan 8.210 nan 0.000 0.410 64 S N 0.642 116.467 115.700 0.209 0.000 2.873 64 S HA 0.223 4.692 4.470 -0.002 0.000 0.303 64 S C -0.252 174.475 174.600 0.213 0.000 1.222 64 S CA 0.011 58.315 58.200 0.174 0.000 0.923 64 S CB 0.900 64.171 63.200 0.118 0.000 1.286 64 S HN 0.217 nan 8.310 nan 0.000 0.571 65 D N 0.330 120.874 120.400 0.241 0.000 2.336 65 D HA 0.033 4.672 4.640 -0.002 0.000 0.229 65 D C 0.933 177.484 176.300 0.418 0.000 1.061 65 D CA 0.784 54.914 54.000 0.217 0.000 0.875 65 D CB -0.627 40.289 40.800 0.194 0.000 0.904 65 D HN 0.851 nan 8.370 nan 0.000 0.525 66 H N -2.232 117.008 119.070 0.282 0.000 3.514 66 H HA 0.375 4.930 4.556 -0.002 0.000 0.268 66 H C -0.858 174.618 175.328 0.246 0.000 1.134 66 H CA -0.389 55.821 56.048 0.269 0.000 1.071 66 H CB -0.364 29.543 29.762 0.241 0.000 2.519 66 H HN 0.045 nan 8.280 nan 0.000 0.792 67 E N 1.034 121.291 120.200 0.095 0.000 2.331 67 E HA 0.393 4.741 4.350 -0.002 0.000 0.275 67 E C -1.657 175.066 176.600 0.205 0.000 0.895 67 E CA -1.007 55.367 56.400 -0.043 0.000 0.753 67 E CB 2.989 32.513 29.700 -0.293 0.000 1.216 67 E HN 0.286 nan 8.360 nan 0.000 0.434 68 Y N 0.058 120.346 120.300 -0.019 0.000 2.644 68 Y HA 0.705 5.254 4.550 -0.002 0.000 0.338 68 Y C -1.741 174.123 175.900 -0.061 0.000 1.119 68 Y CA -1.354 56.642 58.100 -0.173 0.000 1.060 68 Y CB 0.837 38.857 38.460 -0.734 0.000 1.294 68 Y HN 0.329 nan 8.280 nan 0.000 0.472 69 L N 2.537 123.924 121.223 0.273 0.000 2.329 69 L HA 0.527 4.866 4.340 -0.002 0.000 0.279 69 L C -1.348 175.726 176.870 0.340 0.000 1.014 69 L CA -0.955 54.037 54.840 0.254 0.000 0.814 69 L CB 1.710 43.844 42.059 0.125 0.000 1.257 69 L HN 0.725 nan 8.230 nan 0.000 0.424 70 Y N 3.077 123.470 120.300 0.154 0.000 2.477 70 Y HA 0.452 5.000 4.550 -0.002 0.000 0.347 70 Y C -0.771 175.139 175.900 0.017 0.000 0.981 70 Y CA -1.586 56.479 58.100 -0.058 0.000 1.033 70 Y CB 1.800 40.071 38.460 -0.316 0.000 1.245 70 Y HN 0.546 nan 8.280 nan 0.000 0.455 71 K N 4.976 125.039 120.400 -0.562 0.000 2.265 71 K HA 0.518 4.837 4.320 -0.002 0.000 0.267 71 K C -1.521 174.617 176.600 -0.771 0.000 0.994 71 K CA -0.706 55.309 56.287 -0.454 0.000 0.860 71 K CB 1.630 34.043 32.500 -0.146 0.000 1.099 71 K HN 0.756 nan 8.250 nan 0.000 0.448 72 Q N 3.433 122.966 119.800 -0.445 0.000 2.290 72 Q HA 0.194 4.533 4.340 -0.002 0.000 0.269 72 Q C -1.112 174.795 176.000 -0.154 0.000 1.016 72 Q CA -0.139 55.472 55.803 -0.321 0.000 0.754 72 Q CB 1.401 30.051 28.738 -0.147 0.000 1.247 72 Q HN 0.896 nan 8.270 nan 0.000 0.451 73 E N 2.353 122.479 120.200 -0.124 0.000 3.097 73 E HA -0.301 4.048 4.350 -0.002 0.000 0.310 73 E C -0.716 175.829 176.600 -0.090 0.000 1.426 73 E CA 1.971 58.321 56.400 -0.084 0.000 1.676 73 E CB -0.858 28.806 29.700 -0.061 0.000 1.891 73 E HN 0.816 nan 8.360 nan 0.000 0.527 74 N N 0.707 119.365 118.700 -0.070 0.000 2.234 74 N HA 0.215 4.953 4.740 -0.002 0.000 0.227 74 N C -1.201 174.270 175.510 -0.066 0.000 1.151 74 N CA -0.105 52.910 53.050 -0.058 0.000 0.865 74 N CB 0.231 38.695 38.487 -0.039 0.000 1.066 74 N HN 0.180 nan 8.380 nan 0.000 0.515 75 N N 0.928 119.582 118.700 -0.078 0.000 2.514 75 N HA 0.179 4.918 4.740 -0.002 0.000 0.277 75 N C -0.441 175.026 175.510 -0.072 0.000 1.126 75 N CA 0.069 53.074 53.050 -0.075 0.000 0.978 75 N CB 1.735 40.187 38.487 -0.058 0.000 1.106 75 N HN 0.085 nan 8.380 nan 0.000 0.461 76 I N 2.974 123.509 120.570 -0.058 0.000 2.312 76 I HA 0.206 4.375 4.170 -0.002 0.000 0.291 76 I C 0.024 176.199 176.117 0.097 0.000 1.031 76 I CA -0.366 60.926 61.300 -0.014 0.000 1.293 76 I CB 0.499 38.443 38.000 -0.093 0.000 1.403 76 I HN 0.193 nan 8.210 nan 0.000 0.484 77 L N 6.952 128.267 121.223 0.153 0.000 2.325 77 L HA 0.604 4.943 4.340 -0.002 0.000 0.278 77 L C -0.251 176.782 176.870 0.271 0.000 1.023 77 L CA -0.970 53.992 54.840 0.203 0.000 0.811 77 L CB 1.903 44.117 42.059 0.260 0.000 1.249 77 L HN 0.286 nan 8.230 nan 0.000 0.431 78 V N 2.914 122.897 119.914 0.115 0.000 2.427 78 V HA 0.495 4.614 4.120 -0.002 0.000 0.286 78 V C -0.960 175.075 176.094 -0.098 0.000 1.034 78 V CA -0.154 62.169 62.300 0.037 0.000 0.893 78 V CB 1.331 33.114 31.823 -0.066 0.000 0.982 78 V HN 0.448 nan 8.190 nan 0.000 0.452 79 F N 5.356 125.043 119.950 -0.438 0.000 2.482 79 F HA 0.463 4.988 4.527 -0.002 0.000 0.331 79 F C 0.400 175.884 175.800 -0.527 0.000 1.115 79 F CA -0.808 56.847 58.000 -0.575 0.000 0.955 79 F CB 1.530 39.877 39.000 -1.088 0.000 1.136 79 F HN 0.497 nan 8.300 nan 0.000 0.452 80 N N 2.538 121.148 118.700 -0.150 0.000 2.401 80 N HA 0.199 4.937 4.740 -0.002 0.000 0.255 80 N C 0.640 176.106 175.510 -0.073 0.000 1.110 80 N CA 0.211 53.229 53.050 -0.053 0.000 0.949 80 N CB 1.568 40.112 38.487 0.094 0.000 1.110 80 N HN 0.790 nan 8.380 nan 0.000 0.490 81 A N 3.890 126.627 122.820 -0.139 0.000 1.902 81 A HA -0.181 4.137 4.320 -0.002 0.000 0.217 81 A C 1.928 179.265 177.584 -0.412 0.000 1.181 81 A CA 1.617 53.504 52.037 -0.249 0.000 0.623 81 A CB -0.454 18.364 19.000 -0.303 0.000 0.818 81 A HN 0.784 nan 8.150 nan 0.000 0.443 82 E N -0.969 118.961 120.200 -0.450 0.000 2.051 82 E HA -0.185 4.163 4.350 -0.002 0.000 0.192 82 E C 1.449 177.794 176.600 -0.424 0.000 0.991 82 E CA 1.878 58.018 56.400 -0.433 0.000 0.799 82 E CB -0.373 29.062 29.700 -0.441 0.000 0.748 82 E HN 0.723 nan 8.360 nan 0.000 0.449 83 Y N -1.792 118.501 120.300 -0.010 0.000 2.481 83 Y HA 0.352 4.901 4.550 -0.002 0.000 0.258 83 Y C 1.753 177.642 175.900 -0.017 0.000 1.103 83 Y CA 0.356 58.453 58.100 -0.005 0.000 1.287 83 Y CB 0.796 39.256 38.460 0.001 0.000 1.108 83 Y HN 0.236 nan 8.280 nan 0.000 0.529 84 G N 0.530 109.387 108.800 0.095 0.000 2.225 84 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.254 84 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.254 84 G C 0.139 175.039 174.900 0.000 0.000 0.988 84 G CA 0.201 45.343 45.100 0.069 0.000 0.625 84 G HN 0.457 nan 8.290 nan 0.000 0.527 85 N N 0.987 119.686 118.700 -0.001 0.000 2.344 85 N HA 0.455 5.194 4.740 -0.002 0.000 0.236 85 N C 0.036 175.403 175.510 -0.238 0.000 1.279 85 N CA 0.840 53.833 53.050 -0.094 0.000 0.882 85 N CB 0.929 39.381 38.487 -0.059 0.000 1.110 85 N HN 1.349 nan 8.380 nan 0.000 0.436 86 S N -2.173 113.338 115.700 -0.317 0.000 2.537 86 S HA 0.687 5.156 4.470 -0.002 0.000 0.271 86 S C -1.165 173.257 174.600 -0.296 0.000 1.148 86 S CA -0.957 56.946 58.200 -0.495 0.000 0.868 86 S CB 0.858 63.389 63.200 -1.116 0.000 1.115 86 S HN 0.795 nan 8.310 nan 0.000 0.461 87 S N 0.551 116.123 115.700 -0.213 0.000 2.709 87 S HA 0.753 5.222 4.470 -0.002 0.000 0.302 87 S C -0.563 174.000 174.600 -0.062 0.000 1.127 87 S CA -0.882 57.250 58.200 -0.113 0.000 0.905 87 S CB 1.379 64.544 63.200 -0.059 0.000 1.151 87 S HN 1.585 nan 8.310 nan 0.000 0.510 88 V N 2.494 122.384 119.914 -0.039 0.000 2.427 88 V HA 0.300 4.419 4.120 -0.002 0.000 0.268 88 V C 0.431 176.542 176.094 0.028 0.000 1.046 88 V CA -0.246 62.047 62.300 -0.012 0.000 0.970 88 V CB -0.174 31.620 31.823 -0.048 0.000 1.001 88 V HN 0.856 nan 8.190 nan 0.000 0.476 89 F N 6.537 126.445 119.950 -0.069 0.000 2.149 89 F HA 0.298 4.824 4.527 -0.002 0.000 0.294 89 F C 0.668 176.421 175.800 -0.077 0.000 1.095 89 F CA 1.162 59.123 58.000 -0.065 0.000 1.276 89 F CB 0.400 39.369 39.000 -0.053 0.000 1.023 89 F HN 0.361 nan 8.300 nan 0.000 0.480 90 L N 1.488 122.638 121.223 -0.123 0.000 2.482 90 L HA 0.266 4.604 4.340 -0.002 0.000 0.269 90 L C -0.878 175.891 176.870 -0.168 0.000 0.967 90 L CA -0.564 54.145 54.840 -0.219 0.000 0.851 90 L CB 1.654 43.616 42.059 -0.161 0.000 1.242 90 L HN -0.079 nan 8.230 nan 0.000 0.404 91 E N 1.853 121.927 120.200 -0.210 0.000 2.414 91 E HA -0.065 4.283 4.350 -0.002 0.000 0.263 91 E C 1.112 177.602 176.600 -0.184 0.000 1.000 91 E CA 0.024 56.316 56.400 -0.181 0.000 0.914 91 E CB 0.826 30.411 29.700 -0.192 0.000 0.948 91 E HN 0.608 nan 8.360 nan 0.000 0.444 92 N N 1.252 119.876 118.700 -0.127 0.000 2.430 92 N HA -0.208 4.531 4.740 -0.002 0.000 0.186 92 N C 0.925 176.368 175.510 -0.112 0.000 1.032 92 N CA 1.437 54.426 53.050 -0.100 0.000 0.893 92 N CB -0.135 38.308 38.487 -0.073 0.000 0.957 92 N HN 0.257 nan 8.380 nan 0.000 0.442 93 S N -2.615 112.996 115.700 -0.148 0.000 2.575 93 S HA 0.184 4.652 4.470 -0.002 0.000 0.237 93 S C 0.929 175.385 174.600 -0.240 0.000 0.975 93 S CA -0.445 57.667 58.200 -0.146 0.000 0.960 93 S CB -0.423 62.710 63.200 -0.112 0.000 0.822 93 S HN 0.188 nan 8.310 nan 0.000 0.472 94 T N 1.271 115.574 114.554 -0.418 0.000 2.951 94 T HA 0.150 4.498 4.350 -0.002 0.000 0.268 94 T C -0.091 174.068 174.700 -0.902 0.000 1.073 94 T CA 0.919 62.557 62.100 -0.770 0.000 1.134 94 T CB -0.371 67.790 68.868 -1.178 0.000 0.884 94 T HN 0.569 nan 8.240 nan 0.000 0.479 95 F N 1.044 120.896 119.950 -0.164 0.000 2.818 95 F HA 0.411 4.937 4.527 -0.002 0.000 0.369 95 F C 0.715 176.490 175.800 -0.041 0.000 1.327 95 F CA -1.521 56.409 58.000 -0.117 0.000 1.211 95 F CB 0.138 39.002 39.000 -0.226 0.000 1.036 95 F HN -0.091 nan 8.300 nan 0.000 0.510 96 D N 0.358 120.786 120.400 0.046 0.000 2.144 96 D HA -0.098 4.541 4.640 -0.002 0.000 0.200 96 D C 1.421 177.751 176.300 0.050 0.000 0.978 96 D CA 1.286 55.305 54.000 0.031 0.000 0.833 96 D CB 0.230 41.021 40.800 -0.016 0.000 0.961 96 D HN 0.313 nan 8.370 nan 0.000 0.470 97 E N -0.301 119.934 120.200 0.058 0.000 2.411 97 E HA 0.023 4.372 4.350 -0.002 0.000 0.204 97 E C 0.820 177.449 176.600 0.049 0.000 1.059 97 E CA -0.368 56.049 56.400 0.029 0.000 1.112 97 E CB -0.057 29.645 29.700 0.004 0.000 1.168 97 E HN 0.244 nan 8.360 nan 0.000 0.445 98 F N 0.826 120.753 119.950 -0.038 0.000 2.163 98 F HA -0.034 4.492 4.527 -0.002 0.000 0.297 98 F C 1.748 177.411 175.800 -0.229 0.000 1.094 98 F CA 2.080 60.031 58.000 -0.083 0.000 1.290 98 F CB 0.324 39.277 39.000 -0.077 0.000 1.017 98 F HN 0.259 nan 8.300 nan 0.000 0.483 99 G N -1.172 107.522 108.800 -0.176 0.000 2.424 99 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.207 99 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.207 99 G C -0.029 174.624 174.900 -0.412 0.000 1.061 99 G CA 0.087 44.928 45.100 -0.431 0.000 0.657 99 G HN 0.571 nan 8.290 nan 0.000 0.508 100 H N 0.468 119.570 119.070 0.054 0.000 2.573 100 H HA 0.723 5.277 4.556 -0.002 0.000 0.351 100 H C 0.105 175.494 175.328 0.102 0.000 1.163 100 H CA 0.015 56.092 56.048 0.048 0.000 1.205 100 H CB 1.794 31.462 29.762 -0.157 0.000 1.605 100 H HN 0.194 nan 8.280 nan 0.000 0.525 101 S N 1.569 117.375 115.700 0.177 0.000 2.498 101 S HA 0.111 4.580 4.470 -0.002 0.000 0.281 101 S C 0.095 174.714 174.600 0.032 0.000 1.265 101 S CA -0.540 57.706 58.200 0.078 0.000 1.071 101 S CB -0.437 62.803 63.200 0.065 0.000 0.894 101 S HN 0.358 nan 8.310 nan 0.000 0.491 102 I N 6.161 126.682 120.570 -0.082 0.000 2.396 102 I HA 0.135 4.303 4.170 -0.002 0.000 0.289 102 I C 1.695 177.755 176.117 -0.096 0.000 1.056 102 I CA 0.006 61.207 61.300 -0.166 0.000 1.365 102 I CB 0.705 38.504 38.000 -0.335 0.000 1.407 102 I HN 0.754 nan 8.210 nan 0.000 0.509 103 N N 4.085 122.730 118.700 -0.091 0.000 2.251 103 N HA -0.055 4.684 4.740 -0.002 0.000 0.181 103 N C 0.037 175.456 175.510 -0.151 0.000 1.019 103 N CA 0.861 53.828 53.050 -0.138 0.000 0.862 103 N CB 0.473 38.856 38.487 -0.174 0.000 0.992 103 N HN 0.640 nan 8.380 nan 0.000 0.429 104 D N -1.559 118.774 120.400 -0.110 0.000 2.685 104 D HA 0.086 4.725 4.640 -0.002 0.000 0.236 104 D C -1.462 174.839 176.300 0.002 0.000 1.233 104 D CA -0.458 53.486 54.000 -0.093 0.000 0.760 104 D CB 0.863 41.568 40.800 -0.158 0.000 1.410 104 D HN 0.109 nan 8.370 nan 0.000 0.439 105 Y N -0.160 120.156 120.300 0.027 0.000 2.602 105 Y HA 0.794 5.343 4.550 -0.002 0.000 0.330 105 Y C -0.740 175.256 175.900 0.160 0.000 1.114 105 Y CA -1.000 57.150 58.100 0.084 0.000 1.182 105 Y CB 1.681 40.200 38.460 0.097 0.000 1.305 105 Y HN 0.173 nan 8.280 nan 0.000 0.502 106 S N 1.855 117.844 115.700 0.482 0.000 2.603 106 S HA 0.603 5.071 4.470 -0.002 0.000 0.274 106 S C -1.532 173.497 174.600 0.715 0.000 1.168 106 S CA -0.660 57.849 58.200 0.514 0.000 0.963 106 S CB 0.274 63.688 63.200 0.357 0.000 1.078 106 S HN 0.705 nan 8.310 nan 0.000 0.477 107 I N 4.107 125.008 120.570 0.550 0.000 2.385 107 I HA 0.355 4.524 4.170 -0.002 0.000 0.294 107 I C 0.859 176.906 176.117 -0.117 0.000 0.988 107 I CA -0.625 60.859 61.300 0.305 0.000 1.265 107 I CB 1.946 40.101 38.000 0.258 0.000 1.388 107 I HN 0.768 nan 8.210 nan 0.000 0.480 108 S N 5.098 120.417 115.700 -0.635 0.000 2.572 108 S HA 0.188 4.657 4.470 -0.002 0.000 0.279 108 S C -2.010 172.316 174.600 -0.457 0.000 1.341 108 S CA -0.997 56.464 58.200 -1.233 0.000 1.043 108 S CB 0.536 62.868 63.200 -1.447 0.000 0.887 108 S HN 0.426 nan 8.310 nan 0.000 0.516 109 P HA 0.053 nan 4.420 nan 0.000 0.261 109 P C -0.186 177.052 177.300 -0.103 0.000 1.297 109 P CA 0.775 63.794 63.100 -0.135 0.000 0.757 109 P CB -0.347 31.301 31.700 -0.086 0.000 1.149 110 D N -3.294 117.032 120.400 -0.124 0.000 2.692 110 D HA 0.154 4.793 4.640 -0.002 0.000 0.290 110 D C 1.304 177.566 176.300 -0.064 0.000 1.455 110 D CA -0.534 53.430 54.000 -0.060 0.000 0.796 110 D CB -0.931 39.862 40.800 -0.010 0.000 1.131 110 D HN 0.019 nan 8.370 nan 0.000 0.467 111 G N 0.970 109.725 108.800 -0.076 0.000 2.271 111 G HA2 -0.483 3.476 3.960 -0.002 0.000 0.277 111 G HA3 -0.483 3.476 3.960 -0.002 0.000 0.277 111 G C 1.067 175.967 174.900 -0.001 0.000 1.004 111 G CA 1.388 46.498 45.100 0.016 0.000 0.679 111 G HN 0.483 nan 8.290 nan 0.000 0.540 112 Q N -1.485 118.205 119.800 -0.185 0.000 2.079 112 Q HA 0.145 4.483 4.340 -0.002 0.000 0.200 112 Q C 0.456 176.005 176.000 -0.752 0.000 0.974 112 Q CA 1.013 56.497 55.803 -0.531 0.000 0.840 112 Q CB 0.137 28.419 28.738 -0.759 0.000 0.898 112 Q HN 0.642 nan 8.270 nan 0.000 0.430 113 F N -0.963 118.947 119.950 -0.066 0.000 2.588 113 F HA 0.506 5.032 4.527 -0.002 0.000 0.314 113 F C -0.500 175.421 175.800 0.202 0.000 1.069 113 F CA -1.264 56.782 58.000 0.076 0.000 0.931 113 F CB 1.504 40.605 39.000 0.169 0.000 1.260 113 F HN -0.176 nan 8.300 nan 0.000 0.465 114 I N 2.434 123.348 120.570 0.573 0.000 2.530 114 I HA 0.496 4.665 4.170 -0.002 0.000 0.297 114 I C -1.542 174.924 176.117 0.582 0.000 1.011 114 I CA -0.717 60.925 61.300 0.571 0.000 1.107 114 I CB 1.540 39.825 38.000 0.474 0.000 1.285 114 I HN 0.555 nan 8.210 nan 0.000 0.436 115 L N 7.863 129.429 121.223 0.572 0.000 2.289 115 L HA 0.515 4.854 4.340 -0.002 0.000 0.285 115 L C -1.246 175.782 176.870 0.263 0.000 1.049 115 L CA -0.746 54.305 54.840 0.351 0.000 0.804 115 L CB 1.275 43.461 42.059 0.211 0.000 1.195 115 L HN 0.570 nan 8.230 nan 0.000 0.428 116 L N 4.509 125.824 121.223 0.153 0.000 2.333 116 L HA 0.460 4.799 4.340 -0.002 0.000 0.280 116 L C -0.301 176.591 176.870 0.036 0.000 1.004 116 L CA -0.393 54.437 54.840 -0.017 0.000 0.820 116 L CB 1.913 43.750 42.059 -0.370 0.000 1.247 116 L HN 0.544 nan 8.230 nan 0.000 0.416 117 E N 3.332 123.496 120.200 -0.060 0.000 2.156 117 E HA 0.446 4.795 4.350 -0.002 0.000 0.279 117 E C -1.671 174.832 176.600 -0.162 0.000 0.965 117 E CA -0.535 55.678 56.400 -0.311 0.000 0.789 117 E CB 1.084 30.672 29.700 -0.188 0.000 1.098 117 E HN 0.452 nan 8.360 nan 0.000 0.397 118 Y N 1.738 121.826 120.300 -0.353 0.000 2.615 118 Y HA 0.423 4.972 4.550 -0.002 0.000 0.341 118 Y C -0.530 175.274 175.900 -0.160 0.000 1.089 118 Y CA -1.546 56.444 58.100 -0.183 0.000 1.049 118 Y CB 0.767 39.186 38.460 -0.070 0.000 1.296 118 Y HN 0.477 nan 8.280 nan 0.000 0.470 119 N N 0.200 118.928 118.700 0.045 0.000 2.714 119 N HA -0.301 4.438 4.740 -0.002 0.000 0.253 119 N C -1.209 174.290 175.510 -0.019 0.000 1.024 119 N CA 1.029 54.070 53.050 -0.014 0.000 0.726 119 N CB -1.669 36.752 38.487 -0.111 0.000 0.908 119 N HN 0.875 nan 8.380 nan 0.000 0.542 120 Y N 0.054 120.290 120.300 -0.108 0.000 2.377 120 Y HA 0.389 4.938 4.550 -0.002 0.000 0.330 120 Y C -0.122 175.744 175.900 -0.056 0.000 1.108 120 Y CA -0.356 57.680 58.100 -0.107 0.000 1.308 120 Y CB 0.871 39.206 38.460 -0.208 0.000 1.216 120 Y HN 0.032 nan 8.280 nan 0.000 0.518 121 V N 7.691 127.317 119.914 -0.480 0.000 2.483 121 V HA 0.247 4.366 4.120 -0.002 0.000 0.297 121 V C -0.180 175.537 176.094 -0.629 0.000 1.027 121 V CA -1.506 60.552 62.300 -0.403 0.000 0.855 121 V CB 1.435 33.139 31.823 -0.200 0.000 0.995 121 V HN 0.763 nan 8.190 nan 0.000 0.424 122 K N 2.790 122.871 120.400 -0.531 0.000 2.440 122 K HA 0.132 4.451 4.320 -0.002 0.000 0.270 122 K C 0.374 176.765 176.600 -0.348 0.000 0.980 122 K CA 0.392 56.451 56.287 -0.380 0.000 0.953 122 K CB 0.957 33.392 32.500 -0.109 0.000 0.925 122 K HN 0.831 nan 8.250 nan 0.000 0.497 123 Q N 1.840 121.411 119.800 -0.381 0.000 2.965 123 Q HA 0.199 4.538 4.340 -0.002 0.000 0.217 123 Q C -0.269 175.456 176.000 -0.459 0.000 1.113 123 Q CA -0.439 54.944 55.803 -0.701 0.000 0.373 123 Q CB 0.205 28.348 28.738 -0.992 0.000 5.238 123 Q HN 0.656 nan 8.270 nan 0.000 0.337 124 W N 0.167 121.451 121.300 -0.025 0.000 2.048 124 W HA 0.439 5.098 4.660 -0.002 0.000 0.572 124 W C 1.600 178.084 176.519 -0.059 0.000 1.941 124 W CA -0.750 56.611 57.345 0.027 0.000 2.181 124 W CB -0.060 29.409 29.460 0.016 0.000 2.444 124 W HN 0.342 nan 8.180 nan 0.000 0.765 125 R N -0.513 120.054 120.500 0.112 0.000 2.127 125 R HA -0.168 4.170 4.340 -0.002 0.000 0.238 125 R C 1.460 177.538 176.300 -0.369 0.000 1.134 125 R CA 1.763 57.745 56.100 -0.197 0.000 0.975 125 R CB -0.353 29.701 30.300 -0.410 0.000 0.865 125 R HN 0.535 nan 8.270 nan 0.000 0.447 126 H N -1.774 117.352 119.070 0.094 0.000 3.255 126 H HA 0.181 4.736 4.556 -0.002 0.000 0.256 126 H C 0.432 175.824 175.328 0.107 0.000 1.049 126 H CA 0.287 56.409 56.048 0.123 0.000 1.202 126 H CB 0.517 30.337 29.762 0.095 0.000 1.497 126 H HN 0.104 nan 8.280 nan 0.000 0.503 127 S N 1.292 116.954 115.700 -0.062 0.000 2.617 127 S HA 0.479 4.948 4.470 -0.002 0.000 0.269 127 S C -0.350 174.074 174.600 -0.294 0.000 1.292 127 S CA -0.555 57.288 58.200 -0.595 0.000 1.010 127 S CB 1.102 63.458 63.200 -1.407 0.000 0.944 127 S HN 0.456 nan 8.310 nan 0.000 0.536 128 Y N -2.584 117.471 120.300 -0.409 0.000 2.732 128 Y HA 0.621 5.170 4.550 -0.002 0.000 0.342 128 Y C -0.848 174.985 175.900 -0.111 0.000 1.203 128 Y CA -1.051 56.851 58.100 -0.330 0.000 1.092 128 Y CB 0.438 38.648 38.460 -0.416 0.000 1.345 128 Y HN 0.852 nan 8.280 nan 0.000 0.458 129 T N 0.046 114.603 114.554 0.006 0.000 2.918 129 T HA 0.994 5.343 4.350 -0.002 0.000 0.286 129 T C -0.474 174.317 174.700 0.152 0.000 1.026 129 T CA -0.110 62.035 62.100 0.075 0.000 1.031 129 T CB 1.696 70.576 68.868 0.019 0.000 1.046 129 T HN 1.767 nan 8.240 nan 0.000 0.479 130 A N 1.292 124.185 122.820 0.121 0.000 2.612 130 A HA 0.752 5.070 4.320 -0.002 0.000 0.293 130 A C -0.319 177.060 177.584 -0.342 0.000 1.075 130 A CA -0.991 50.966 52.037 -0.132 0.000 0.680 130 A CB 1.288 20.172 19.000 -0.193 0.000 1.279 130 A HN 0.849 nan 8.150 nan 0.000 0.411 131 S N -0.267 115.041 115.700 -0.654 0.000 2.610 131 S HA 0.711 5.180 4.470 -0.002 0.000 0.273 131 S C -1.216 172.767 174.600 -1.028 0.000 1.274 131 S CA 0.079 57.788 58.200 -0.820 0.000 1.023 131 S CB 0.365 62.806 63.200 -1.264 0.000 0.962 131 S HN 0.448 nan 8.310 nan 0.000 0.523 132 Y N -0.013 120.035 120.300 -0.421 0.000 2.477 132 Y HA 0.444 4.993 4.550 -0.002 0.000 0.347 132 Y C -0.228 175.691 175.900 0.032 0.000 0.981 132 Y CA -0.928 57.071 58.100 -0.169 0.000 1.033 132 Y CB 1.752 40.078 38.460 -0.222 0.000 1.245 132 Y HN 0.496 nan 8.280 nan 0.000 0.455 133 D N 2.674 123.275 120.400 0.335 0.000 2.481 133 D HA 0.514 5.152 4.640 -0.002 0.000 0.244 133 D C -0.873 175.568 176.300 0.235 0.000 1.057 133 D CA -0.340 53.845 54.000 0.308 0.000 0.848 133 D CB 2.432 43.523 40.800 0.486 0.000 1.388 133 D HN 0.404 nan 8.370 nan 0.000 0.475 134 I N 1.927 122.618 120.570 0.202 0.000 2.336 134 I HA 0.266 4.435 4.170 -0.002 0.000 0.292 134 I C -0.716 175.610 176.117 0.347 0.000 0.991 134 I CA -0.953 60.501 61.300 0.255 0.000 1.227 134 I CB 1.028 39.122 38.000 0.155 0.000 1.366 134 I HN 0.210 nan 8.210 nan 0.000 0.466 135 Y N 5.276 125.747 120.300 0.284 0.000 2.352 135 Y HA 0.391 4.940 4.550 -0.002 0.000 0.339 135 Y C -0.390 175.723 175.900 0.354 0.000 0.992 135 Y CA -0.779 57.503 58.100 0.303 0.000 1.100 135 Y CB 1.306 39.966 38.460 0.333 0.000 1.192 135 Y HN 0.534 nan 8.280 nan 0.000 0.458 136 D N 4.626 124.906 120.400 -0.199 0.000 2.256 136 D HA 0.176 4.815 4.640 -0.002 0.000 0.250 136 D C 0.268 176.322 176.300 -0.411 0.000 1.093 136 D CA 0.200 54.119 54.000 -0.134 0.000 0.882 136 D CB 1.265 42.020 40.800 -0.074 0.000 1.185 136 D HN 0.814 nan 8.370 nan 0.000 0.437 137 L N 3.077 124.128 121.223 -0.287 0.000 2.408 137 L HA 0.089 4.428 4.340 -0.002 0.000 0.215 137 L C 1.651 178.380 176.870 -0.234 0.000 1.081 137 L CA 0.061 54.770 54.840 -0.219 0.000 0.840 137 L CB -0.029 41.942 42.059 -0.145 0.000 1.002 137 L HN 0.350 nan 8.230 nan 0.000 0.468 138 N N 0.086 118.624 118.700 -0.271 0.000 2.376 138 N HA -0.016 4.723 4.740 -0.002 0.000 0.177 138 N C 0.963 176.377 175.510 -0.161 0.000 1.024 138 N CA 0.696 53.624 53.050 -0.203 0.000 0.893 138 N CB 0.300 38.659 38.487 -0.212 0.000 0.980 138 N HN 0.303 nan 8.380 nan 0.000 0.439 139 K N 0.188 120.482 120.400 -0.177 0.000 2.711 139 K HA 0.376 4.694 4.320 -0.002 0.000 0.305 139 K C 0.138 176.628 176.600 -0.184 0.000 0.974 139 K CA -0.205 55.995 56.287 -0.145 0.000 1.394 139 K CB 0.545 32.972 32.500 -0.121 0.000 1.670 139 K HN -0.203 nan 8.250 nan 0.000 0.748 140 R N 0.624 121.012 120.500 -0.187 0.000 2.797 140 R HA 0.147 4.485 4.340 -0.002 0.000 0.230 140 R C -1.638 174.562 176.300 -0.166 0.000 1.591 140 R CA -0.119 55.861 56.100 -0.199 0.000 1.501 140 R CB 0.915 31.211 30.300 -0.007 0.000 1.524 140 R HN 0.372 nan 8.270 nan 0.000 0.711 141 Q N 2.089 121.602 119.800 -0.478 0.000 2.320 141 Q HA 0.308 4.647 4.340 -0.002 0.000 0.272 141 Q C -1.378 174.545 176.000 -0.128 0.000 1.023 141 Q CA -0.942 54.787 55.803 -0.123 0.000 0.855 141 Q CB 1.715 30.420 28.738 -0.055 0.000 1.367 141 Q HN 0.267 nan 8.270 nan 0.000 0.406 142 L N 2.647 124.034 121.223 0.273 0.000 2.416 142 L HA 0.335 4.674 4.340 -0.002 0.000 0.272 142 L C 0.326 177.289 176.870 0.155 0.000 1.161 142 L CA -0.140 54.901 54.840 0.334 0.000 0.845 142 L CB -0.029 42.249 42.059 0.365 0.000 1.119 142 L HN 0.431 nan 8.230 nan 0.000 0.464 143 I N 2.689 123.342 120.570 0.139 0.000 2.496 143 I HA 0.069 4.238 4.170 -0.002 0.000 0.285 143 I C 1.171 177.323 176.117 0.057 0.000 1.080 143 I CA 0.282 61.628 61.300 0.077 0.000 1.404 143 I CB 1.290 39.323 38.000 0.054 0.000 1.403 143 I HN 0.938 nan 8.210 nan 0.000 0.539 144 T N 1.165 115.738 114.554 0.031 0.000 2.975 144 T HA 0.196 4.545 4.350 -0.002 0.000 0.257 144 T C 0.454 175.149 174.700 -0.009 0.000 1.003 144 T CA -0.345 61.762 62.100 0.012 0.000 0.932 144 T CB 0.102 68.976 68.868 0.010 0.000 1.087 144 T HN 0.534 nan 8.240 nan 0.000 0.512 145 E N 2.737 122.931 120.200 -0.010 0.000 2.259 145 E HA 0.330 4.679 4.350 -0.002 0.000 0.281 145 E C -0.370 176.207 176.600 -0.038 0.000 1.027 145 E CA -0.618 55.769 56.400 -0.022 0.000 0.838 145 E CB 0.388 30.080 29.700 -0.013 0.000 1.066 145 E HN 0.187 nan 8.360 nan 0.000 0.401 146 E N 1.394 121.559 120.200 -0.057 0.000 2.297 146 E HA -0.255 4.093 4.350 -0.002 0.000 0.228 146 E C -0.734 175.800 176.600 -0.110 0.000 1.213 146 E CA 0.561 56.912 56.400 -0.081 0.000 0.712 146 E CB -1.513 28.153 29.700 -0.056 0.000 1.202 146 E HN 0.541 nan 8.360 nan 0.000 0.376 147 R N -0.051 120.374 120.500 -0.124 0.000 2.698 147 R HA 0.214 4.553 4.340 -0.002 0.000 0.266 147 R C 1.077 177.208 176.300 -0.281 0.000 1.026 147 R CA -0.280 55.729 56.100 -0.151 0.000 1.102 147 R CB 0.288 30.521 30.300 -0.113 0.000 0.978 147 R HN 0.139 nan 8.270 nan 0.000 0.436 148 I N 4.476 124.839 120.570 -0.345 0.000 2.906 148 I HA -0.094 4.074 4.170 -0.002 0.000 0.301 148 I C -1.743 174.034 176.117 -0.567 0.000 1.221 148 I CA -0.755 60.170 61.300 -0.625 0.000 1.435 148 I CB 0.023 37.675 38.000 -0.580 0.000 1.345 148 I HN 0.342 nan 8.210 nan 0.000 0.558 149 P HA 0.059 nan 4.420 nan 0.000 0.269 149 P C -0.633 176.361 177.300 -0.510 0.000 1.215 149 P CA -0.281 62.336 63.100 -0.805 0.000 0.780 149 P CB 0.411 31.139 31.700 -1.621 0.000 0.898 150 N N 2.204 120.706 118.700 -0.330 0.000 2.415 150 N HA 0.007 4.745 4.740 -0.002 0.000 0.248 150 N C 0.422 175.948 175.510 0.026 0.000 1.271 150 N CA 0.364 53.318 53.050 -0.159 0.000 0.913 150 N CB -0.503 37.925 38.487 -0.098 0.000 1.129 150 N HN 0.410 nan 8.380 nan 0.000 0.444 151 N N -1.017 117.711 118.700 0.046 0.000 2.735 151 N HA -0.175 4.563 4.740 -0.002 0.000 0.248 151 N C -0.878 174.795 175.510 0.272 0.000 1.083 151 N CA 0.670 53.809 53.050 0.148 0.000 0.703 151 N CB -1.528 37.072 38.487 0.189 0.000 1.005 151 N HN 0.450 nan 8.380 nan 0.000 0.550 152 T N 0.722 115.390 114.554 0.191 0.000 2.851 152 T HA 0.124 4.473 4.350 -0.002 0.000 0.298 152 T C 1.698 176.534 174.700 0.227 0.000 0.977 152 T CA -0.003 62.231 62.100 0.223 0.000 1.126 152 T CB 1.357 70.253 68.868 0.046 0.000 0.916 152 T HN 0.180 nan 8.240 nan 0.000 0.529 153 Q N 2.055 121.995 119.800 0.233 0.000 2.163 153 Q HA 0.129 4.468 4.340 -0.002 0.000 0.198 153 Q C 0.236 176.409 176.000 0.288 0.000 0.954 153 Q CA 0.629 56.596 55.803 0.272 0.000 0.851 153 Q CB 0.646 29.539 28.738 0.259 0.000 0.928 153 Q HN 0.687 nan 8.270 nan 0.000 0.459 154 W N 0.136 121.401 121.300 -0.059 0.000 3.372 154 W HA 0.481 5.139 4.660 -0.002 0.000 0.315 154 W C -2.163 174.259 176.519 -0.161 0.000 1.223 154 W CA -0.715 56.548 57.345 -0.137 0.000 1.202 154 W CB 1.440 30.773 29.460 -0.213 0.000 1.367 154 W HN -0.314 nan 8.180 nan 0.000 0.531 155 V N 2.843 122.039 119.914 -1.197 0.000 2.841 155 V HA 0.741 4.860 4.120 -0.002 0.000 0.310 155 V C -0.406 174.998 176.094 -1.150 0.000 1.090 155 V CA -0.717 61.000 62.300 -0.972 0.000 0.930 155 V CB 1.401 32.546 31.823 -1.130 0.000 1.014 155 V HN 0.531 nan 8.190 nan 0.000 0.425 156 T N 1.817 116.060 114.554 -0.518 0.000 2.932 156 T HA 0.557 4.906 4.350 -0.002 0.000 0.318 156 T C -1.617 173.091 174.700 0.014 0.000 1.265 156 T CA -0.351 61.633 62.100 -0.194 0.000 1.036 156 T CB 1.165 70.167 68.868 0.224 0.000 1.209 156 T HN 0.568 nan 8.240 nan 0.000 0.484 157 W N 2.784 124.122 121.300 0.063 0.000 2.161 157 W HA 0.467 5.126 4.660 -0.002 0.000 0.344 157 W C 1.126 177.480 176.519 -0.275 0.000 1.262 157 W CA -0.688 56.637 57.345 -0.034 0.000 1.270 157 W CB 0.712 30.161 29.460 -0.017 0.000 1.126 157 W HN 0.811 nan 8.180 nan 0.000 0.598 158 S N 1.600 117.024 115.700 -0.461 0.000 2.579 158 S HA 0.086 4.554 4.470 -0.002 0.000 0.275 158 S C -1.899 172.469 174.600 -0.388 0.000 1.345 158 S CA -0.985 56.499 58.200 -1.193 0.000 1.031 158 S CB 0.845 63.281 63.200 -1.273 0.000 0.892 158 S HN 0.279 nan 8.310 nan 0.000 0.529 159 P HA 0.120 nan 4.420 nan 0.000 0.226 159 P C -0.300 176.969 177.300 -0.052 0.000 1.153 159 P CA 0.497 63.580 63.100 -0.029 0.000 0.777 159 P CB 0.154 31.883 31.700 0.049 0.000 0.794 160 V N -1.312 118.525 119.914 -0.128 0.000 2.709 160 V HA 0.686 4.804 4.120 -0.002 0.000 0.308 160 V C 0.621 176.614 176.094 -0.169 0.000 1.062 160 V CA 0.178 62.412 62.300 -0.110 0.000 0.901 160 V CB 1.094 32.862 31.823 -0.091 0.000 1.003 160 V HN 0.422 nan 8.190 nan 0.000 0.425 161 G N 3.719 112.434 108.800 -0.141 0.000 2.499 161 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.232 161 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.232 161 G C 0.099 174.917 174.900 -0.137 0.000 1.251 161 G CA 0.371 45.370 45.100 -0.169 0.000 0.917 161 G HN 1.645 nan 8.290 nan 0.000 0.580 162 H N -0.005 119.048 119.070 -0.028 0.000 2.777 162 H HA 0.365 4.920 4.556 -0.002 0.000 0.244 162 H C 0.284 175.775 175.328 0.271 0.000 1.185 162 H CA -0.024 56.065 56.048 0.068 0.000 0.945 162 H CB -0.022 29.860 29.762 0.199 0.000 1.994 162 H HN 0.556 nan 8.280 nan 0.000 0.638 163 K N 1.774 122.211 120.400 0.062 0.000 2.355 163 K HA 0.369 4.688 4.320 -0.002 0.000 0.270 163 K C -0.365 176.351 176.600 0.194 0.000 1.003 163 K CA -0.233 56.093 56.287 0.065 0.000 0.957 163 K CB 1.699 34.076 32.500 -0.206 0.000 0.939 163 K HN 0.125 nan 8.250 nan 0.000 0.482 164 L N 1.370 122.723 121.223 0.217 0.000 2.346 164 L HA 0.535 4.874 4.340 -0.002 0.000 0.274 164 L C -0.595 176.496 176.870 0.369 0.000 1.007 164 L CA -0.830 54.110 54.840 0.167 0.000 0.818 164 L CB 2.016 44.048 42.059 -0.044 0.000 1.284 164 L HN 0.759 nan 8.230 nan 0.000 0.424 165 A N 2.714 125.773 122.820 0.399 0.000 2.350 165 A HA 0.857 5.176 4.320 -0.002 0.000 0.324 165 A C -1.547 176.090 177.584 0.088 0.000 1.118 165 A CA -0.358 51.785 52.037 0.176 0.000 0.783 165 A CB 1.293 20.316 19.000 0.039 0.000 1.236 165 A HN 0.660 nan 8.150 nan 0.000 0.457 166 Y N -0.991 119.284 120.300 -0.041 0.000 2.609 166 Y HA 0.685 5.234 4.550 -0.002 0.000 0.336 166 Y C -1.556 174.358 175.900 0.023 0.000 1.129 166 Y CA -1.588 56.462 58.100 -0.083 0.000 1.040 166 Y CB 0.835 39.179 38.460 -0.194 0.000 1.310 166 Y HN 0.450 nan 8.280 nan 0.000 0.460 167 V N 2.315 122.407 119.914 0.297 0.000 2.409 167 V HA 0.373 4.492 4.120 -0.002 0.000 0.291 167 V C -1.505 174.830 176.094 0.401 0.000 1.020 167 V CA -0.541 61.898 62.300 0.231 0.000 0.848 167 V CB 1.268 33.126 31.823 0.059 0.000 0.990 167 V HN 0.840 nan 8.190 nan 0.000 0.430 168 W N 5.313 126.737 121.300 0.206 0.000 2.830 168 W HA 0.492 5.150 4.660 -0.002 0.000 0.335 168 W C 0.342 176.916 176.519 0.091 0.000 1.043 168 W CA -0.879 56.536 57.345 0.116 0.000 1.239 168 W CB 1.088 30.570 29.460 0.037 0.000 1.378 168 W HN 0.764 nan 8.180 nan 0.000 0.456 169 N N 5.252 123.721 118.700 -0.385 0.000 2.758 169 N HA -0.299 4.440 4.740 -0.002 0.000 0.248 169 N C 0.016 175.392 175.510 -0.224 0.000 1.076 169 N CA 1.256 54.022 53.050 -0.473 0.000 0.696 169 N CB -0.902 37.076 38.487 -0.848 0.000 0.979 169 N HN 0.824 nan 8.380 nan 0.000 0.550 170 N N -0.565 118.063 118.700 -0.120 0.000 2.800 170 N HA -0.159 4.580 4.740 -0.002 0.000 0.250 170 N C -1.489 173.944 175.510 -0.129 0.000 1.078 170 N CA 1.780 54.764 53.050 -0.110 0.000 0.804 170 N CB -0.425 37.955 38.487 -0.178 0.000 1.135 170 N HN 0.538 nan 8.380 nan 0.000 0.565 171 D N -0.381 119.961 120.400 -0.098 0.000 2.601 171 D HA 0.513 5.152 4.640 -0.002 0.000 0.230 171 D C 0.091 176.261 176.300 -0.216 0.000 1.106 171 D CA -0.429 53.443 54.000 -0.214 0.000 0.873 171 D CB 1.529 42.172 40.800 -0.262 0.000 1.515 171 D HN -0.045 nan 8.370 nan 0.000 0.468 172 I N 1.674 121.935 120.570 -0.515 0.000 2.359 172 I HA 0.270 4.439 4.170 -0.002 0.000 0.294 172 I C -0.819 174.864 176.117 -0.722 0.000 0.987 172 I CA -0.565 60.431 61.300 -0.508 0.000 1.225 172 I CB 0.800 38.414 38.000 -0.642 0.000 1.366 172 I HN 0.150 nan 8.210 nan 0.000 0.466 173 Y N 4.504 124.410 120.300 -0.657 0.000 2.485 173 Y HA 0.647 5.196 4.550 -0.002 0.000 0.345 173 Y C -0.306 175.244 175.900 -0.583 0.000 0.998 173 Y CA -1.000 56.657 58.100 -0.739 0.000 1.059 173 Y CB 2.017 39.757 38.460 -1.200 0.000 1.234 173 Y HN 0.100 nan 8.280 nan 0.000 0.461 174 V N 2.900 122.741 119.914 -0.121 0.000 2.443 174 V HA 0.369 4.488 4.120 -0.002 0.000 0.293 174 V C -0.711 175.505 176.094 0.205 0.000 1.021 174 V CA -1.377 60.946 62.300 0.038 0.000 0.848 174 V CB 1.526 33.375 31.823 0.044 0.000 0.998 174 V HN 0.598 nan 8.190 nan 0.000 0.424 175 K N 4.253 124.778 120.400 0.209 0.000 2.268 175 K HA 0.431 4.750 4.320 -0.002 0.000 0.276 175 K C 0.758 177.489 176.600 0.219 0.000 1.080 175 K CA -0.586 55.840 56.287 0.232 0.000 0.910 175 K CB 1.081 33.689 32.500 0.180 0.000 1.163 175 K HN 0.453 nan 8.250 nan 0.000 0.465 176 I N 1.776 122.483 120.570 0.227 0.000 2.179 176 I HA -0.181 3.988 4.170 -0.002 0.000 0.242 176 I C 0.682 176.911 176.117 0.187 0.000 1.088 176 I CA 1.648 63.045 61.300 0.161 0.000 1.357 176 I CB -0.390 37.687 38.000 0.128 0.000 1.051 176 I HN 0.599 nan 8.210 nan 0.000 0.409 177 E N -0.085 120.228 120.200 0.188 0.000 2.227 177 E HA 0.262 4.611 4.350 -0.002 0.000 0.268 177 E C -1.885 174.735 176.600 0.033 0.000 0.907 177 E CA -1.885 54.608 56.400 0.155 0.000 0.786 177 E CB 1.383 31.162 29.700 0.131 0.000 1.191 177 E HN -0.061 nan 8.360 nan 0.000 0.411 178 P HA -0.117 nan 4.420 nan 0.000 0.223 178 P C 0.729 177.964 177.300 -0.109 0.000 1.151 178 P CA 1.127 64.116 63.100 -0.185 0.000 0.787 178 P CB 0.221 31.638 31.700 -0.470 0.000 0.788 179 N N -1.797 116.856 118.700 -0.078 0.000 2.353 179 N HA 0.016 4.755 4.740 -0.002 0.000 0.185 179 N C 0.252 175.758 175.510 -0.006 0.000 1.098 179 N CA 0.325 53.358 53.050 -0.028 0.000 0.872 179 N CB -0.705 37.780 38.487 -0.004 0.000 0.970 179 N HN -0.000 nan 8.380 nan 0.000 0.467 180 L N 0.963 122.194 121.223 0.013 0.000 2.399 180 L HA 0.545 4.884 4.340 -0.002 0.000 0.265 180 L C -2.191 174.687 176.870 0.013 0.000 1.089 180 L CA -2.519 52.340 54.840 0.031 0.000 0.802 180 L CB 0.690 42.799 42.059 0.082 0.000 1.180 180 L HN -0.030 nan 8.230 nan 0.000 0.454 181 P HA 0.143 nan 4.420 nan 0.000 0.268 181 P C -0.881 176.374 177.300 -0.076 0.000 1.205 181 P CA -0.268 62.788 63.100 -0.074 0.000 0.771 181 P CB 0.391 32.012 31.700 -0.133 0.000 0.858 182 S N 1.891 117.585 115.700 -0.010 0.000 2.624 182 S HA 0.399 4.868 4.470 -0.002 0.000 0.263 182 S C -0.652 173.951 174.600 0.004 0.000 1.287 182 S CA -0.226 58.033 58.200 0.099 0.000 0.990 182 S CB 0.069 63.375 63.200 0.176 0.000 0.950 182 S HN 0.294 nan 8.310 nan 0.000 0.561 183 Y N -0.414 119.914 120.300 0.047 0.000 2.409 183 Y HA 0.504 5.053 4.550 -0.002 0.000 0.343 183 Y C 0.493 176.312 175.900 -0.135 0.000 0.973 183 Y CA -0.868 57.235 58.100 0.005 0.000 1.064 183 Y CB 1.510 39.975 38.460 0.009 0.000 1.207 183 Y HN 0.586 nan 8.280 nan 0.000 0.452 184 R N 3.534 123.984 120.500 -0.083 0.000 2.202 184 R HA 0.322 4.661 4.340 -0.002 0.000 0.334 184 R C 0.079 176.125 176.300 -0.423 0.000 1.036 184 R CA -0.140 55.611 56.100 -0.581 0.000 0.878 184 R CB 0.387 30.126 30.300 -0.935 0.000 1.067 184 R HN 0.737 nan 8.270 nan 0.000 0.457 185 I N 1.876 122.124 120.570 -0.537 0.000 2.731 185 I HA -0.035 4.134 4.170 -0.002 0.000 0.260 185 I C 1.213 177.141 176.117 -0.316 0.000 1.138 185 I CA 1.044 62.154 61.300 -0.316 0.000 1.461 185 I CB -0.553 37.239 38.000 -0.348 0.000 1.128 185 I HN 0.572 nan 8.210 nan 0.000 0.438 186 T N -3.743 110.479 114.554 -0.553 0.000 2.893 186 T HA 0.396 4.745 4.350 -0.002 0.000 0.291 186 T C -0.709 173.681 174.700 -0.517 0.000 1.028 186 T CA -0.524 61.338 62.100 -0.395 0.000 0.995 186 T CB 1.834 70.446 68.868 -0.426 0.000 1.051 186 T HN 0.165 nan 8.240 nan 0.000 0.470 187 W N 0.725 121.909 121.300 -0.194 0.000 2.702 187 W HA 0.246 4.905 4.660 -0.002 0.000 0.369 187 W C 1.800 178.253 176.519 -0.110 0.000 0.987 187 W CA -0.125 57.139 57.345 -0.135 0.000 1.702 187 W CB 0.246 29.650 29.460 -0.093 0.000 1.138 187 W HN 0.915 nan 8.180 nan 0.000 0.552 188 T N -2.654 111.926 114.554 0.043 0.000 3.086 188 T HA 0.331 4.680 4.350 -0.002 0.000 0.250 188 T C 1.113 175.789 174.700 -0.040 0.000 1.074 188 T CA 0.124 62.231 62.100 0.012 0.000 0.988 188 T CB -0.097 68.775 68.868 0.006 0.000 0.988 188 T HN -0.011 nan 8.240 nan 0.000 0.530 189 G N 0.903 109.651 108.800 -0.087 0.000 2.554 189 G HA2 0.441 4.400 3.960 -0.002 0.000 0.238 189 G HA3 0.441 4.400 3.960 -0.002 0.000 0.238 189 G C -0.690 174.136 174.900 -0.124 0.000 1.259 189 G CA -0.514 44.511 45.100 -0.125 0.000 0.843 189 G HN 0.539 nan 8.290 nan 0.000 0.582 190 K N 0.600 120.897 120.400 -0.171 0.000 2.577 190 K HA 0.068 4.387 4.320 -0.002 0.000 0.267 190 K C -0.583 175.880 176.600 -0.229 0.000 0.979 190 K CA -0.577 55.613 56.287 -0.161 0.000 0.942 190 K CB 1.408 33.844 32.500 -0.107 0.000 1.343 190 K HN 0.672 nan 8.250 nan 0.000 0.436 191 E N 3.319 123.407 120.200 -0.186 0.000 2.652 191 E HA -0.137 4.212 4.350 -0.002 0.000 0.255 191 E C -0.472 176.030 176.600 -0.164 0.000 0.952 191 E CA 1.139 57.435 56.400 -0.173 0.000 0.947 191 E CB 0.245 29.885 29.700 -0.100 0.000 0.912 191 E HN 0.593 nan 8.360 nan 0.000 0.489 192 D N 2.610 122.893 120.400 -0.194 0.000 2.955 192 D HA -0.258 4.381 4.640 -0.002 0.000 0.226 192 D C 0.455 176.741 176.300 -0.024 0.000 1.178 192 D CA 1.043 55.038 54.000 -0.007 0.000 0.808 192 D CB -0.733 40.135 40.800 0.114 0.000 1.099 192 D HN 0.435 nan 8.370 nan 0.000 0.421 193 I N -0.946 119.489 120.570 -0.226 0.000 3.814 193 I HA 0.075 4.243 4.170 -0.002 0.000 0.264 193 I C 0.270 176.366 176.117 -0.036 0.000 1.145 193 I CA 0.201 61.472 61.300 -0.047 0.000 1.375 193 I CB 0.691 38.675 38.000 -0.027 0.000 1.638 193 I HN -0.122 nan 8.210 nan 0.000 0.432 194 I N 1.065 121.524 120.570 -0.186 0.000 2.406 194 I HA 0.284 4.453 4.170 -0.002 0.000 0.290 194 I C -1.419 174.576 176.117 -0.203 0.000 0.999 194 I CA -0.749 60.517 61.300 -0.057 0.000 1.124 194 I CB 0.839 38.823 38.000 -0.026 0.000 1.289 194 I HN 0.025 nan 8.210 nan 0.000 0.441 195 Y N 4.665 125.034 120.300 0.114 0.000 2.326 195 Y HA 0.414 4.962 4.550 -0.002 0.000 0.331 195 Y C 0.325 176.255 175.900 0.050 0.000 0.962 195 Y CA -0.752 57.404 58.100 0.092 0.000 1.167 195 Y CB 1.221 39.784 38.460 0.172 0.000 1.148 195 Y HN 0.411 nan 8.280 nan 0.000 0.463 196 N N 2.336 121.057 118.700 0.035 0.000 2.444 196 N HA 0.388 5.126 4.740 -0.002 0.000 0.262 196 N C 0.721 176.107 175.510 -0.207 0.000 0.974 196 N CA 0.280 53.262 53.050 -0.113 0.000 0.933 196 N CB 1.883 40.191 38.487 -0.299 0.000 1.137 196 N HN 1.011 nan 8.380 nan 0.000 0.498 197 G N 1.523 110.209 108.800 -0.190 0.000 2.175 197 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.244 197 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.244 197 G C 0.006 174.694 174.900 -0.353 0.000 0.982 197 G CA 0.542 45.461 45.100 -0.302 0.000 0.641 197 G HN 0.659 nan 8.290 nan 0.000 0.527 198 I N -2.213 118.207 120.570 -0.251 0.000 3.095 198 I HA 0.855 5.023 4.170 -0.002 0.000 0.310 198 I C 0.133 176.139 176.117 -0.186 0.000 1.196 198 I CA -0.710 60.325 61.300 -0.441 0.000 0.985 198 I CB 1.802 39.350 38.000 -0.753 0.000 1.250 198 I HN 0.185 nan 8.210 nan 0.000 0.446 199 T N -1.046 113.319 114.554 -0.315 0.000 2.944 199 T HA 0.534 4.883 4.350 -0.002 0.000 0.284 199 T C -0.342 174.041 174.700 -0.528 0.000 1.010 199 T CA -0.639 61.191 62.100 -0.450 0.000 1.025 199 T CB 1.397 70.085 68.868 -0.300 0.000 1.079 199 T HN 0.818 nan 8.240 nan 0.000 0.516 200 D N -0.288 119.571 120.400 -0.901 0.000 2.469 200 D HA 0.048 4.687 4.640 -0.002 0.000 0.278 200 D C 0.862 177.039 176.300 -0.206 0.000 1.231 200 D CA -1.011 52.472 54.000 -0.861 0.000 1.075 200 D CB 0.065 40.365 40.800 -0.833 0.000 1.121 200 D HN 0.674 nan 8.370 nan 0.000 0.571 201 W N -0.198 120.999 121.300 -0.173 0.000 2.407 201 W HA -0.125 4.534 4.660 -0.002 0.000 0.305 201 W C 2.140 178.542 176.519 -0.195 0.000 1.196 201 W CA 2.466 59.716 57.345 -0.158 0.000 1.311 201 W CB -0.271 29.025 29.460 -0.273 0.000 1.135 201 W HN 0.209 nan 8.180 nan 0.000 0.514 202 V N -1.836 118.145 119.914 0.113 0.000 2.427 202 V HA -0.281 3.838 4.120 -0.002 0.000 0.248 202 V C 1.772 177.718 176.094 -0.246 0.000 1.051 202 V CA 1.597 63.850 62.300 -0.078 0.000 1.048 202 V CB -1.716 30.059 31.823 -0.080 0.000 0.666 202 V HN 0.229 nan 8.190 nan 0.000 0.456 203 Y N 1.162 121.302 120.300 -0.267 0.000 2.220 203 Y HA -0.092 4.457 4.550 -0.002 0.000 0.291 203 Y C 2.852 178.683 175.900 -0.114 0.000 1.129 203 Y CA 2.068 60.045 58.100 -0.205 0.000 1.161 203 Y CB -0.171 38.045 38.460 -0.406 0.000 0.997 203 Y HN 0.303 nan 8.280 nan 0.000 0.522 204 E N 0.236 120.407 120.200 -0.048 0.000 2.070 204 E HA -0.329 4.020 4.350 -0.002 0.000 0.197 204 E C 1.952 178.507 176.600 -0.074 0.000 1.004 204 E CA 1.818 58.204 56.400 -0.024 0.000 0.805 204 E CB 0.005 29.671 29.700 -0.057 0.000 0.744 204 E HN 0.469 nan 8.360 nan 0.000 0.451 205 E N -0.400 119.578 120.200 -0.370 0.000 2.190 205 E HA -0.090 4.259 4.350 -0.002 0.000 0.191 205 E C 1.567 178.058 176.600 -0.182 0.000 0.978 205 E CA 1.019 57.195 56.400 -0.373 0.000 0.839 205 E CB 0.295 29.425 29.700 -0.950 0.000 0.787 205 E HN 0.141 nan 8.360 nan 0.000 0.473 206 E N -0.758 119.308 120.200 -0.223 0.000 2.399 206 E HA 0.135 4.484 4.350 -0.002 0.000 0.205 206 E C 1.715 178.173 176.600 -0.237 0.000 0.906 206 E CA 0.472 56.772 56.400 -0.167 0.000 0.998 206 E CB 0.859 30.433 29.700 -0.210 0.000 1.002 206 E HN 0.175 nan 8.360 nan 0.000 0.501 207 V N -0.161 119.557 119.914 -0.327 0.000 2.602 207 V HA 0.040 4.159 4.120 -0.002 0.000 0.235 207 V C 1.568 177.438 176.094 -0.374 0.000 1.087 207 V CA 0.920 62.932 62.300 -0.480 0.000 1.117 207 V CB -0.307 31.046 31.823 -0.783 0.000 0.820 207 V HN 0.029 nan 8.190 nan 0.000 0.490 208 F N 0.758 120.721 119.950 0.020 0.000 2.698 208 F HA 0.237 4.763 4.527 -0.002 0.000 0.295 208 F C 1.399 177.179 175.800 -0.034 0.000 1.124 208 F CA 0.312 58.350 58.000 0.063 0.000 1.426 208 F CB -0.322 38.768 39.000 0.150 0.000 1.120 208 F HN 0.077 nan 8.300 nan 0.000 0.583 209 S N 0.918 116.653 115.700 0.059 0.000 3.484 209 S HA 0.114 4.583 4.470 -0.002 0.000 0.384 209 S C -0.094 174.228 174.600 -0.464 0.000 0.932 209 S CA 0.281 58.389 58.200 -0.153 0.000 1.293 209 S CB -1.913 61.224 63.200 -0.105 0.000 0.919 209 S HN 0.831 nan 8.310 nan 0.000 0.540 210 A N 0.193 122.855 122.820 -0.263 0.000 2.601 210 A HA 0.536 4.854 4.320 -0.002 0.000 0.303 210 A C -0.272 177.286 177.584 -0.044 0.000 1.004 210 A CA -0.442 51.471 52.037 -0.207 0.000 0.742 210 A CB -0.090 18.791 19.000 -0.198 0.000 1.250 210 A HN 0.528 nan 8.150 nan 0.000 0.406 211 Y N 1.960 122.103 120.300 -0.262 0.000 2.263 211 Y HA 0.121 4.670 4.550 -0.002 0.000 0.292 211 Y C 1.739 177.330 175.900 -0.515 0.000 1.130 211 Y CA 1.642 59.567 58.100 -0.292 0.000 1.179 211 Y CB -0.075 38.242 38.460 -0.239 0.000 0.998 211 Y HN 0.769 nan 8.280 nan 0.000 0.532 212 S N 0.490 115.659 115.700 -0.885 0.000 2.546 212 S HA 0.289 4.758 4.470 -0.002 0.000 0.290 212 S C 0.550 174.596 174.600 -0.923 0.000 1.262 212 S CA 0.286 57.769 58.200 -1.195 0.000 1.083 212 S CB 0.087 62.387 63.200 -1.501 0.000 0.859 212 S HN 0.431 nan 8.310 nan 0.000 0.495 213 A N 6.038 128.312 122.820 -0.909 0.000 2.701 213 A HA 0.487 4.805 4.320 -0.002 0.000 0.297 213 A C -0.088 176.625 177.584 -1.452 0.000 1.197 213 A CA -0.429 50.972 52.037 -1.059 0.000 0.963 213 A CB 0.052 18.864 19.000 -0.313 0.000 1.175 213 A HN 0.716 nan 8.150 nan 0.000 0.531 214 L N -0.351 120.004 121.223 -1.448 0.000 2.319 214 L HA 0.654 4.993 4.340 -0.002 0.000 0.267 214 L C -0.969 175.310 176.870 -0.985 0.000 1.011 214 L CA -0.766 53.537 54.840 -0.896 0.000 0.818 214 L CB 1.852 43.652 42.059 -0.432 0.000 1.316 214 L HN 0.419 nan 8.230 nan 0.000 0.432 215 W N 1.384 122.698 121.300 0.023 0.000 2.916 215 W HA 0.162 4.821 4.660 -0.002 0.000 0.317 215 W C -1.476 175.263 176.519 0.367 0.000 1.047 215 W CA -1.044 56.442 57.345 0.236 0.000 1.234 215 W CB 0.709 30.340 29.460 0.287 0.000 1.143 215 W HN 0.481 nan 8.180 nan 0.000 0.372 216 W N 2.512 124.050 121.300 0.397 0.000 2.181 216 W HA 0.256 4.914 4.660 -0.002 0.000 0.335 216 W C 1.331 177.737 176.519 -0.188 0.000 1.310 216 W CA 0.467 57.909 57.345 0.162 0.000 1.226 216 W CB 0.748 30.263 29.460 0.091 0.000 1.155 216 W HN 0.172 nan 8.180 nan 0.000 0.565 217 S N 2.624 118.037 115.700 -0.479 0.000 2.592 217 S HA 0.217 4.685 4.470 -0.002 0.000 0.271 217 S C -1.769 172.599 174.600 -0.386 0.000 1.326 217 S CA -1.109 56.309 58.200 -1.305 0.000 1.024 217 S CB 1.390 63.736 63.200 -1.423 0.000 0.921 217 S HN 0.284 nan 8.310 nan 0.000 0.527 218 P HA -0.063 nan 4.420 nan 0.000 0.219 218 P C 1.079 178.327 177.300 -0.088 0.000 1.146 218 P CA 0.886 63.940 63.100 -0.076 0.000 0.808 218 P CB -0.066 31.630 31.700 -0.006 0.000 0.779 219 N N -0.530 118.099 118.700 -0.119 0.000 2.205 219 N HA -0.090 4.649 4.740 -0.002 0.000 0.186 219 N C 1.307 176.734 175.510 -0.139 0.000 1.015 219 N CA 1.750 54.728 53.050 -0.120 0.000 0.862 219 N CB -0.919 37.478 38.487 -0.151 0.000 0.986 219 N HN 0.134 nan 8.380 nan 0.000 0.429 220 G N -1.161 107.570 108.800 -0.115 0.000 2.198 220 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.257 220 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.257 220 G C 0.849 175.753 174.900 0.007 0.000 1.042 220 G CA 1.005 46.039 45.100 -0.110 0.000 0.791 220 G HN 0.384 nan 8.290 nan 0.000 0.502 221 T N -0.568 113.946 114.554 -0.067 0.000 2.990 221 T HA 0.367 4.716 4.350 -0.002 0.000 0.237 221 T C 0.698 175.266 174.700 -0.220 0.000 1.009 221 T CA 0.707 62.651 62.100 -0.260 0.000 1.195 221 T CB 0.063 68.595 68.868 -0.560 0.000 0.885 221 T HN 0.200 nan 8.240 nan 0.000 0.424 222 F N 1.534 121.517 119.950 0.055 0.000 2.394 222 F HA 0.505 5.031 4.527 -0.002 0.000 0.340 222 F C 0.034 175.899 175.800 0.107 0.000 1.105 222 F CA -1.460 56.605 58.000 0.108 0.000 1.124 222 F CB 0.656 39.783 39.000 0.212 0.000 1.145 222 F HN -0.002 nan 8.300 nan 0.000 0.505 223 L N 3.632 124.983 121.223 0.212 0.000 2.294 223 L HA 0.692 5.031 4.340 -0.002 0.000 0.283 223 L C -0.560 176.369 176.870 0.098 0.000 1.015 223 L CA -0.484 54.309 54.840 -0.079 0.000 0.831 223 L CB 0.787 42.543 42.059 -0.504 0.000 1.217 223 L HN 0.771 nan 8.230 nan 0.000 0.420 224 A N 5.274 128.232 122.820 0.230 0.000 2.303 224 A HA 0.752 5.070 4.320 -0.002 0.000 0.317 224 A C -1.380 176.244 177.584 0.066 0.000 1.149 224 A CA -0.314 51.737 52.037 0.023 0.000 0.822 224 A CB 1.027 20.139 19.000 0.186 0.000 1.131 224 A HN 0.723 nan 8.150 nan 0.000 0.493 225 Y N -1.738 118.349 120.300 -0.355 0.000 2.604 225 Y HA 0.696 5.245 4.550 -0.002 0.000 0.331 225 Y C -0.464 175.254 175.900 -0.302 0.000 1.158 225 Y CA -0.921 57.054 58.100 -0.209 0.000 1.056 225 Y CB 0.550 38.848 38.460 -0.270 0.000 1.330 225 Y HN 1.005 nan 8.280 nan 0.000 0.457 226 A N 2.896 125.799 122.820 0.138 0.000 2.294 226 A HA 0.732 5.051 4.320 -0.002 0.000 0.330 226 A C -1.018 176.534 177.584 -0.053 0.000 1.133 226 A CA -0.758 51.239 52.037 -0.067 0.000 0.836 226 A CB 1.645 20.537 19.000 -0.179 0.000 1.190 226 A HN 0.856 nan 8.150 nan 0.000 0.492 227 Q N 1.036 120.734 119.800 -0.170 0.000 2.304 227 Q HA 0.587 4.926 4.340 -0.002 0.000 0.270 227 Q C -2.136 173.712 176.000 -0.252 0.000 1.035 227 Q CA -0.354 55.424 55.803 -0.041 0.000 0.781 227 Q CB 1.210 30.087 28.738 0.232 0.000 1.261 227 Q HN 0.583 nan 8.270 nan 0.000 0.444 228 F N 2.174 122.214 119.950 0.150 0.000 2.450 228 F HA 0.453 4.979 4.527 -0.002 0.000 0.332 228 F C 0.453 176.396 175.800 0.238 0.000 1.093 228 F CA -0.827 57.253 58.000 0.133 0.000 1.003 228 F CB 1.553 40.567 39.000 0.023 0.000 1.151 228 F HN 0.458 nan 8.300 nan 0.000 0.474 229 N N 1.718 120.643 118.700 0.375 0.000 2.531 229 N HA 0.210 4.949 4.740 -0.002 0.000 0.268 229 N C -0.997 174.686 175.510 0.287 0.000 1.023 229 N CA -0.286 52.935 53.050 0.285 0.000 0.896 229 N CB 1.035 39.635 38.487 0.188 0.000 1.233 229 N HN 0.549 nan 8.380 nan 0.000 0.512 230 D N 1.249 121.839 120.400 0.316 0.000 2.388 230 D HA 0.134 4.772 4.640 -0.002 0.000 0.221 230 D C 1.227 177.640 176.300 0.189 0.000 1.133 230 D CA 0.183 54.350 54.000 0.280 0.000 0.831 230 D CB 0.567 41.601 40.800 0.390 0.000 0.962 230 D HN 0.463 nan 8.370 nan 0.000 0.502 231 T N 0.194 114.837 114.554 0.148 0.000 2.649 231 T HA -0.227 4.122 4.350 -0.002 0.000 0.268 231 T C 1.316 176.068 174.700 0.086 0.000 1.036 231 T CA 1.359 63.519 62.100 0.100 0.000 1.157 231 T CB -0.041 68.876 68.868 0.081 0.000 0.861 231 T HN 0.270 nan 8.240 nan 0.000 0.445 232 E N 0.264 120.519 120.200 0.090 0.000 2.499 232 E HA 0.190 4.538 4.350 -0.002 0.000 0.199 232 E C -0.748 175.901 176.600 0.082 0.000 1.016 232 E CA -0.241 56.203 56.400 0.073 0.000 0.933 232 E CB 0.669 30.406 29.700 0.061 0.000 1.050 232 E HN 0.183 nan 8.360 nan 0.000 0.462 233 V N 3.487 123.464 119.914 0.105 0.000 2.455 233 V HA 0.147 4.266 4.120 -0.002 0.000 0.273 233 V C -2.021 174.130 176.094 0.096 0.000 1.045 233 V CA -1.615 60.753 62.300 0.114 0.000 0.976 233 V CB 0.437 32.350 31.823 0.151 0.000 0.993 233 V HN 0.087 nan 8.190 nan 0.000 0.475 234 P HA 0.345 nan 4.420 nan 0.000 0.272 234 P C -0.820 176.514 177.300 0.056 0.000 1.230 234 P CA -0.354 62.780 63.100 0.057 0.000 0.788 234 P CB 0.598 32.329 31.700 0.052 0.000 0.949 235 L N 1.354 122.586 121.223 0.014 0.000 2.331 235 L HA 0.504 4.842 4.340 -0.002 0.000 0.275 235 L C 0.291 177.104 176.870 -0.095 0.000 1.022 235 L CA -0.904 53.923 54.840 -0.020 0.000 0.812 235 L CB 0.970 43.010 42.059 -0.032 0.000 1.257 235 L HN 0.253 nan 8.230 nan 0.000 0.435 236 I N 1.844 122.309 120.570 -0.176 0.000 2.365 236 I HA 0.248 4.417 4.170 -0.002 0.000 0.291 236 I C -0.428 175.524 176.117 -0.276 0.000 1.004 236 I CA 0.223 61.325 61.300 -0.330 0.000 1.311 236 I CB 0.762 38.315 38.000 -0.746 0.000 1.401 236 I HN 0.581 nan 8.210 nan 0.000 0.491 237 E N 7.690 127.748 120.200 -0.236 0.000 2.187 237 E HA 0.491 4.840 4.350 -0.002 0.000 0.268 237 E C -1.686 174.830 176.600 -0.141 0.000 0.896 237 E CA -0.624 55.632 56.400 -0.241 0.000 0.766 237 E CB 1.768 31.365 29.700 -0.173 0.000 1.142 237 E HN 0.564 nan 8.360 nan 0.000 0.408 238 Y N -1.519 118.686 120.300 -0.159 0.000 2.615 238 Y HA 0.602 5.150 4.550 -0.002 0.000 0.341 238 Y C -0.483 175.343 175.900 -0.123 0.000 1.089 238 Y CA -1.389 56.629 58.100 -0.137 0.000 1.049 238 Y CB 0.914 39.303 38.460 -0.118 0.000 1.296 238 Y HN 0.218 nan 8.280 nan 0.000 0.470 239 S N 1.500 117.207 115.700 0.011 0.000 2.586 239 S HA 0.487 4.955 4.470 -0.002 0.000 0.274 239 S C -1.490 172.990 174.600 -0.201 0.000 1.281 239 S CA -0.416 57.641 58.200 -0.238 0.000 1.035 239 S CB 0.534 63.427 63.200 -0.512 0.000 0.962 239 S HN 0.527 nan 8.310 nan 0.000 0.512 240 F N 2.385 122.080 119.950 -0.425 0.000 2.499 240 F HA 0.448 4.973 4.527 -0.002 0.000 0.333 240 F C -0.313 175.271 175.800 -0.360 0.000 1.138 240 F CA -1.050 56.783 58.000 -0.279 0.000 0.945 240 F CB 0.645 39.619 39.000 -0.043 0.000 1.181 240 F HN 0.613 nan 8.300 nan 0.000 0.435 241 Y N 2.696 122.753 120.300 -0.405 0.000 2.286 241 Y HA 0.115 4.664 4.550 -0.002 0.000 0.293 241 Y C 1.735 177.450 175.900 -0.308 0.000 1.124 241 Y CA 1.237 59.170 58.100 -0.278 0.000 1.178 241 Y CB -0.761 37.566 38.460 -0.221 0.000 1.010 241 Y HN 0.706 nan 8.280 nan 0.000 0.536 242 S N -0.525 114.882 115.700 -0.488 0.000 3.756 242 S HA -0.194 4.275 4.470 -0.002 0.000 0.640 242 S C -0.718 173.837 174.600 -0.074 0.000 2.059 242 S CA -0.123 57.928 58.200 -0.248 0.000 2.224 242 S CB -1.081 62.130 63.200 0.017 0.000 0.327 242 S HN 0.474 nan 8.310 nan 0.000 1.789 243 D N 1.469 121.869 120.400 -0.000 0.000 2.406 243 D HA 0.078 4.717 4.640 -0.002 0.000 0.234 243 D C 1.515 177.820 176.300 0.008 0.000 1.196 243 D CA 0.247 54.254 54.000 0.012 0.000 0.881 243 D CB 0.089 40.908 40.800 0.032 0.000 1.205 243 D HN 0.594 nan 8.370 nan 0.000 0.453 244 E N 0.148 120.348 120.200 0.001 0.000 2.097 244 E HA -0.196 4.153 4.350 -0.002 0.000 0.196 244 E C 1.851 178.450 176.600 -0.002 0.000 1.000 244 E CA 1.539 57.935 56.400 -0.007 0.000 0.804 244 E CB 0.020 29.714 29.700 -0.011 0.000 0.740 244 E HN 0.480 nan 8.360 nan 0.000 0.454 245 S N 0.421 116.126 115.700 0.008 0.000 2.528 245 S HA -0.099 4.370 4.470 -0.002 0.000 0.244 245 S C 1.002 175.614 174.600 0.020 0.000 0.982 245 S CA 0.256 58.463 58.200 0.012 0.000 0.953 245 S CB -0.082 63.129 63.200 0.020 0.000 0.754 245 S HN 0.145 nan 8.310 nan 0.000 0.529 246 L N 2.159 123.398 121.223 0.026 0.000 2.278 246 L HA 0.247 4.585 4.340 -0.002 0.000 0.287 246 L C 1.375 178.260 176.870 0.026 0.000 1.072 246 L CA -0.044 54.824 54.840 0.046 0.000 0.819 246 L CB 1.345 43.441 42.059 0.061 0.000 1.176 246 L HN 0.341 nan 8.230 nan 0.000 0.435 247 Q N 4.158 123.978 119.800 0.034 0.000 2.083 247 Q HA -0.062 4.276 4.340 -0.002 0.000 0.198 247 Q C -0.686 175.192 176.000 -0.203 0.000 0.969 247 Q CA 1.322 57.070 55.803 -0.091 0.000 0.838 247 Q CB 0.245 28.935 28.738 -0.079 0.000 0.900 247 Q HN 0.609 nan 8.270 nan 0.000 0.436 248 Y N 0.781 121.092 120.300 0.018 0.000 2.328 248 Y HA 0.382 4.931 4.550 -0.002 0.000 0.336 248 Y C -2.039 173.871 175.900 0.016 0.000 0.960 248 Y CA -3.030 55.079 58.100 0.017 0.000 1.134 248 Y CB 1.287 39.750 38.460 0.005 0.000 1.166 248 Y HN 0.151 nan 8.280 nan 0.000 0.464 249 P HA -0.035 nan 4.420 nan 0.000 0.267 249 P C -0.460 176.861 177.300 0.035 0.000 1.201 249 P CA -0.110 63.019 63.100 0.048 0.000 0.775 249 P CB 0.849 32.531 31.700 -0.030 0.000 0.854 250 K N 0.886 121.293 120.400 0.012 0.000 2.098 250 K HA 0.358 4.677 4.320 -0.002 0.000 0.258 250 K C -0.438 176.133 176.600 -0.048 0.000 0.973 250 K CA -0.365 55.931 56.287 0.015 0.000 0.898 250 K CB 0.782 33.327 32.500 0.074 0.000 1.057 250 K HN 0.346 nan 8.250 nan 0.000 0.447 251 T N 2.342 116.850 114.554 -0.076 0.000 2.749 251 T HA 0.236 4.585 4.350 -0.002 0.000 0.287 251 T C -0.456 174.128 174.700 -0.194 0.000 0.970 251 T CA -0.627 61.391 62.100 -0.137 0.000 0.980 251 T CB 1.013 69.811 68.868 -0.116 0.000 0.924 251 T HN 0.211 nan 8.240 nan 0.000 0.456 252 V N 5.266 124.965 119.914 -0.359 0.000 2.498 252 V HA 0.459 4.578 4.120 -0.002 0.000 0.279 252 V C 0.450 176.257 176.094 -0.480 0.000 1.048 252 V CA -0.609 61.398 62.300 -0.488 0.000 0.967 252 V CB 0.827 32.148 31.823 -0.835 0.000 0.988 252 V HN 0.719 nan 8.190 nan 0.000 0.473 253 R N 3.289 123.635 120.500 -0.257 0.000 2.435 253 R HA 0.679 5.018 4.340 -0.002 0.000 0.308 253 R C -1.674 174.593 176.300 -0.055 0.000 0.975 253 R CA -0.469 55.531 56.100 -0.167 0.000 0.867 253 R CB 2.128 32.366 30.300 -0.104 0.000 1.171 253 R HN 0.560 nan 8.270 nan 0.000 0.470 254 V N 4.168 124.040 119.914 -0.070 0.000 2.531 254 V HA 0.370 4.488 4.120 -0.002 0.000 0.301 254 V C -2.367 173.747 176.094 0.033 0.000 1.034 254 V CA -2.506 59.811 62.300 0.028 0.000 0.865 254 V CB 2.139 33.894 31.823 -0.115 0.000 0.995 254 V HN 0.588 nan 8.190 nan 0.000 0.424 255 P HA 0.243 nan 4.420 nan 0.000 0.271 255 P C -1.366 176.029 177.300 0.160 0.000 1.233 255 P CA 0.150 63.340 63.100 0.150 0.000 0.764 255 P CB -0.041 31.792 31.700 0.221 0.000 0.825 256 Y N 6.149 126.426 120.300 -0.039 0.000 2.287 256 Y HA 0.363 4.911 4.550 -0.002 0.000 0.325 256 Y C -2.847 173.031 175.900 -0.036 0.000 1.139 256 Y CA -2.921 55.112 58.100 -0.112 0.000 1.167 256 Y CB 1.687 39.964 38.460 -0.304 0.000 1.158 256 Y HN 0.278 nan 8.280 nan 0.000 0.434 257 P HA 0.266 nan 4.420 nan 0.000 0.286 257 P C -0.940 176.447 177.300 0.145 0.000 1.321 257 P CA -0.173 63.002 63.100 0.124 0.000 0.790 257 P CB 1.165 32.915 31.700 0.084 0.000 0.897 258 K N 2.010 122.562 120.400 0.253 0.000 2.118 258 K HA 0.532 4.851 4.320 -0.002 0.000 0.240 258 K C 0.555 177.255 176.600 0.168 0.000 1.035 258 K CA -0.819 55.621 56.287 0.255 0.000 0.899 258 K CB 0.474 33.130 32.500 0.261 0.000 1.085 258 K HN 0.408 nan 8.250 nan 0.000 0.498 259 A N 0.616 123.553 122.820 0.196 0.000 2.566 259 A HA 0.304 4.623 4.320 -0.002 0.000 0.245 259 A C 1.256 178.870 177.584 0.049 0.000 1.056 259 A CA 0.917 53.051 52.037 0.161 0.000 0.757 259 A CB -1.216 17.959 19.000 0.290 0.000 0.979 259 A HN 0.903 nan 8.150 nan 0.000 0.508 260 G N 1.185 110.007 108.800 0.037 0.000 2.253 260 G HA2 0.079 4.038 3.960 -0.002 0.000 0.251 260 G HA3 0.079 4.038 3.960 -0.002 0.000 0.251 260 G C 0.767 175.682 174.900 0.024 0.000 0.998 260 G CA 0.700 45.799 45.100 -0.000 0.000 0.621 260 G HN 2.222 nan 8.290 nan 0.000 0.524 261 A N 0.122 122.974 122.820 0.053 0.000 2.327 261 A HA 0.652 4.971 4.320 -0.002 0.000 0.255 261 A C 1.049 178.669 177.584 0.059 0.000 1.099 261 A CA 0.422 52.494 52.037 0.059 0.000 0.801 261 A CB 0.466 19.517 19.000 0.084 0.000 1.062 261 A HN 1.283 nan 8.150 nan 0.000 0.496 262 V N 2.155 122.104 119.914 0.057 0.000 2.584 262 V HA -0.069 4.050 4.120 -0.002 0.000 0.303 262 V C 0.748 176.894 176.094 0.086 0.000 1.035 262 V CA 0.719 63.056 62.300 0.061 0.000 1.172 262 V CB -0.765 31.093 31.823 0.059 0.000 0.896 262 V HN 0.878 nan 8.190 nan 0.000 0.486 263 N N 5.490 124.243 118.700 0.089 0.000 2.472 263 N HA 0.481 5.220 4.740 -0.002 0.000 0.289 263 N C -2.531 173.076 175.510 0.161 0.000 1.156 263 N CA -1.566 51.562 53.050 0.131 0.000 0.940 263 N CB 1.716 40.273 38.487 0.117 0.000 1.200 263 N HN 0.440 nan 8.380 nan 0.000 0.511 264 P HA 0.012 nan 4.420 nan 0.000 0.269 264 P C -0.596 176.865 177.300 0.267 0.000 1.209 264 P CA -0.042 63.232 63.100 0.290 0.000 0.776 264 P CB 0.373 32.314 31.700 0.401 0.000 0.876 265 T N -0.794 113.889 114.554 0.216 0.000 2.927 265 T HA 0.550 4.899 4.350 -0.002 0.000 0.281 265 T C -0.099 174.710 174.700 0.182 0.000 0.998 265 T CA -0.783 61.404 62.100 0.145 0.000 1.019 265 T CB 1.445 70.371 68.868 0.097 0.000 1.061 265 T HN 0.315 nan 8.240 nan 0.000 0.518 266 V N 0.400 120.389 119.914 0.124 0.000 2.962 266 V HA 0.779 4.898 4.120 -0.002 0.000 0.313 266 V C -1.317 174.827 176.094 0.084 0.000 1.099 266 V CA -0.860 61.452 62.300 0.021 0.000 0.971 266 V CB 2.150 33.985 31.823 0.021 0.000 1.028 266 V HN 1.071 nan 8.190 nan 0.000 0.430 267 K N 3.698 124.099 120.400 0.002 0.000 2.433 267 K HA 0.668 4.987 4.320 -0.002 0.000 0.252 267 K C -1.927 174.613 176.600 -0.099 0.000 1.015 267 K CA -0.494 55.778 56.287 -0.024 0.000 0.860 267 K CB 2.680 35.145 32.500 -0.057 0.000 1.359 267 K HN 0.556 nan 8.250 nan 0.000 0.452 268 F N 1.258 120.889 119.950 -0.532 0.000 2.578 268 F HA 0.615 5.141 4.527 -0.002 0.000 0.311 268 F C -1.787 173.491 175.800 -0.870 0.000 1.094 268 F CA -0.586 57.125 58.000 -0.481 0.000 0.923 268 F CB 1.110 39.934 39.000 -0.293 0.000 1.230 268 F HN 0.398 nan 8.300 nan 0.000 0.450 269 F N 3.768 123.081 119.950 -1.061 0.000 2.613 269 F HA 0.717 5.242 4.527 -0.002 0.000 0.310 269 F C -1.123 174.072 175.800 -1.009 0.000 1.085 269 F CA -1.230 56.255 58.000 -0.857 0.000 0.945 269 F CB 2.152 40.569 39.000 -0.971 0.000 1.298 269 F HN 0.194 nan 8.300 nan 0.000 0.455 270 V N 2.563 122.261 119.914 -0.360 0.000 2.443 270 V HA 0.547 4.666 4.120 -0.002 0.000 0.293 270 V C -0.786 175.325 176.094 0.028 0.000 1.021 270 V CA -0.793 61.338 62.300 -0.281 0.000 0.848 270 V CB 1.529 32.966 31.823 -0.645 0.000 0.998 270 V HN 0.551 nan 8.190 nan 0.000 0.424 271 V N 3.735 123.727 119.914 0.131 0.000 2.427 271 V HA 0.382 4.501 4.120 -0.002 0.000 0.286 271 V C 0.362 176.670 176.094 0.357 0.000 1.034 271 V CA -0.641 61.795 62.300 0.226 0.000 0.893 271 V CB 1.895 33.816 31.823 0.163 0.000 0.982 271 V HN 0.887 nan 8.190 nan 0.000 0.452 272 N N 2.929 121.853 118.700 0.373 0.000 2.399 272 N HA 0.059 4.798 4.740 -0.002 0.000 0.259 272 N C 1.009 176.568 175.510 0.083 0.000 1.160 272 N CA 0.251 53.468 53.050 0.278 0.000 0.946 272 N CB 1.454 40.096 38.487 0.258 0.000 1.156 272 N HN 0.701 nan 8.380 nan 0.000 0.489 273 T N 1.779 116.359 114.554 0.043 0.000 3.051 273 T HA -0.030 4.319 4.350 -0.002 0.000 0.269 273 T C 0.491 175.158 174.700 -0.055 0.000 1.127 273 T CA 0.840 62.954 62.100 0.025 0.000 1.107 273 T CB 0.162 69.147 68.868 0.194 0.000 0.898 273 T HN 0.491 nan 8.240 nan 0.000 0.517 274 D N 0.129 120.478 120.400 -0.085 0.000 2.417 274 D HA 0.095 4.734 4.640 -0.002 0.000 0.207 274 D C 1.524 177.781 176.300 -0.071 0.000 1.075 274 D CA 0.306 54.250 54.000 -0.093 0.000 0.851 274 D CB 0.397 41.128 40.800 -0.116 0.000 0.976 274 D HN 0.417 nan 8.370 nan 0.000 0.505 275 S N 0.020 115.691 115.700 -0.048 0.000 2.583 275 S HA 0.251 4.719 4.470 -0.002 0.000 0.239 275 S C 0.780 175.365 174.600 -0.025 0.000 0.966 275 S CA -0.426 57.768 58.200 -0.010 0.000 0.973 275 S CB -0.017 63.209 63.200 0.043 0.000 0.794 275 S HN 0.044 nan 8.310 nan 0.000 0.463 276 L N 2.628 123.777 121.223 -0.124 0.000 2.397 276 L HA 0.493 4.832 4.340 -0.002 0.000 0.271 276 L C 0.602 177.425 176.870 -0.078 0.000 1.148 276 L CA -0.268 54.454 54.840 -0.197 0.000 0.825 276 L CB 1.102 42.798 42.059 -0.605 0.000 1.117 276 L HN 0.355 nan 8.230 nan 0.000 0.456 277 S N 0.190 115.971 115.700 0.134 0.000 2.600 277 S HA 0.406 4.875 4.470 -0.002 0.000 0.300 277 S C 0.531 175.404 174.600 0.454 0.000 1.087 277 S CA -0.141 58.222 58.200 0.272 0.000 0.965 277 S CB 1.999 65.294 63.200 0.158 0.000 1.089 277 S HN 0.641 nan 8.310 nan 0.000 0.496 278 S N 1.738 117.647 115.700 0.349 0.000 2.517 278 S HA 0.110 4.579 4.470 -0.002 0.000 0.214 278 S C 1.379 176.036 174.600 0.096 0.000 0.991 278 S CA 0.283 58.563 58.200 0.134 0.000 0.906 278 S CB -0.047 63.105 63.200 -0.080 0.000 0.789 278 S HN 0.512 nan 8.310 nan 0.000 0.513 279 V N 2.208 122.187 119.914 0.107 0.000 2.446 279 V HA 0.039 4.158 4.120 -0.002 0.000 0.244 279 V C 1.066 177.214 176.094 0.089 0.000 1.039 279 V CA 1.420 63.768 62.300 0.081 0.000 1.045 279 V CB -0.390 31.471 31.823 0.064 0.000 0.681 279 V HN 0.542 nan 8.190 nan 0.000 0.459 280 T N 0.727 115.348 114.554 0.112 0.000 2.913 280 T HA 0.269 4.618 4.350 -0.002 0.000 0.287 280 T C -0.129 174.656 174.700 0.142 0.000 1.008 280 T CA -0.352 61.810 62.100 0.104 0.000 1.067 280 T CB 0.916 69.840 68.868 0.093 0.000 0.996 280 T HN 0.158 nan 8.240 nan 0.000 0.513 281 N N 0.965 119.733 118.700 0.114 0.000 2.530 281 N HA 0.505 5.243 4.740 -0.002 0.000 0.277 281 N C -0.247 175.354 175.510 0.152 0.000 1.168 281 N CA -0.331 52.813 53.050 0.157 0.000 0.979 281 N CB 0.654 39.181 38.487 0.066 0.000 1.141 281 N HN 0.813 nan 8.380 nan 0.000 0.459 282 A N 1.038 123.969 122.820 0.185 0.000 2.401 282 A HA 0.269 4.588 4.320 -0.002 0.000 0.259 282 A C 0.152 177.806 177.584 0.117 0.000 1.103 282 A CA -0.024 52.093 52.037 0.133 0.000 0.789 282 A CB -0.025 19.037 19.000 0.103 0.000 1.035 282 A HN 0.531 nan 8.150 nan 0.000 0.491 283 T N 2.754 117.377 114.554 0.115 0.000 2.728 283 T HA 0.350 4.698 4.350 -0.002 0.000 0.296 283 T C 0.188 174.975 174.700 0.146 0.000 0.940 283 T CA 0.374 62.548 62.100 0.124 0.000 1.013 283 T CB 0.107 69.053 68.868 0.130 0.000 0.912 283 T HN 0.544 nan 8.240 nan 0.000 0.484 284 S N 4.738 120.518 115.700 0.134 0.000 2.429 284 S HA 0.438 4.907 4.470 -0.002 0.000 0.302 284 S C 0.127 174.868 174.600 0.234 0.000 1.115 284 S CA -0.771 57.520 58.200 0.151 0.000 1.095 284 S CB 0.205 63.426 63.200 0.036 0.000 0.987 284 S HN 0.480 nan 8.310 nan 0.000 0.474 285 I N 3.473 124.189 120.570 0.243 0.000 2.395 285 I HA 0.250 4.418 4.170 -0.002 0.000 0.289 285 I C 0.652 176.885 176.117 0.194 0.000 1.023 285 I CA -0.149 61.303 61.300 0.254 0.000 1.350 285 I CB 0.949 39.163 38.000 0.357 0.000 1.409 285 I HN 0.623 nan 8.210 nan 0.000 0.507 286 Q N 5.970 125.850 119.800 0.133 0.000 2.257 286 Q HA 0.489 4.828 4.340 -0.002 0.000 0.255 286 Q C -1.026 174.915 176.000 -0.097 0.000 0.920 286 Q CA -0.582 55.129 55.803 -0.154 0.000 0.927 286 Q CB 1.426 30.037 28.738 -0.212 0.000 1.229 286 Q HN 0.518 nan 8.270 nan 0.000 0.433 287 I N 3.647 124.145 120.570 -0.120 0.000 2.312 287 I HA 0.183 4.351 4.170 -0.002 0.000 0.290 287 I C 0.602 176.679 176.117 -0.066 0.000 1.008 287 I CA -0.491 60.780 61.300 -0.048 0.000 1.226 287 I CB 1.483 39.449 38.000 -0.056 0.000 1.371 287 I HN 0.630 nan 8.210 nan 0.000 0.468 288 T N 3.821 118.315 114.554 -0.101 0.000 2.902 288 T HA 0.668 5.017 4.350 -0.002 0.000 0.280 288 T C 0.235 174.750 174.700 -0.308 0.000 0.992 288 T CA -0.659 61.337 62.100 -0.175 0.000 1.015 288 T CB 1.568 70.334 68.868 -0.169 0.000 1.044 288 T HN 0.622 nan 8.240 nan 0.000 0.520 289 A N 3.126 125.567 122.820 -0.632 0.000 2.386 289 A HA 0.577 4.895 4.320 -0.002 0.000 0.248 289 A C -2.223 174.916 177.584 -0.741 0.000 1.082 289 A CA -1.483 49.813 52.037 -1.234 0.000 0.789 289 A CB -0.904 17.005 19.000 -1.819 0.000 1.025 289 A HN 0.768 nan 8.150 nan 0.000 0.490 290 P HA 0.040 nan 4.420 nan 0.000 0.264 290 P C 0.947 178.041 177.300 -0.344 0.000 1.179 290 P CA 0.981 63.850 63.100 -0.384 0.000 0.763 290 P CB 0.521 32.044 31.700 -0.295 0.000 0.806 291 A N 3.477 126.162 122.820 -0.225 0.000 1.971 291 A HA -0.271 4.048 4.320 -0.002 0.000 0.222 291 A C 2.092 179.572 177.584 -0.173 0.000 1.182 291 A CA 2.630 54.558 52.037 -0.181 0.000 0.649 291 A CB -1.645 17.281 19.000 -0.122 0.000 0.818 291 A HN 0.628 nan 8.150 nan 0.000 0.458 292 S N -2.081 113.533 115.700 -0.143 0.000 2.522 292 S HA 0.039 4.508 4.470 -0.002 0.000 0.227 292 S C 1.662 176.181 174.600 -0.135 0.000 0.986 292 S CA 1.141 59.276 58.200 -0.109 0.000 0.929 292 S CB -0.179 63.016 63.200 -0.008 0.000 0.769 292 S HN 0.361 nan 8.310 nan 0.000 0.529 293 M N 0.660 120.111 119.600 -0.249 0.000 2.357 293 M HA 0.320 4.799 4.480 -0.002 0.000 0.266 293 M C 1.471 177.517 176.300 -0.423 0.000 1.095 293 M CA 0.570 55.653 55.300 -0.362 0.000 1.156 293 M CB -1.239 30.971 32.600 -0.650 0.000 1.365 293 M HN 0.310 nan 8.290 nan 0.000 0.447 294 L N 1.104 122.077 121.223 -0.416 0.000 2.353 294 L HA -0.114 4.224 4.340 -0.002 0.000 0.220 294 L C 2.186 178.987 176.870 -0.115 0.000 1.133 294 L CA 1.215 55.894 54.840 -0.267 0.000 0.798 294 L CB -1.438 40.475 42.059 -0.244 0.000 0.922 294 L HN 0.279 nan 8.230 nan 0.000 0.445 295 I N -2.589 117.913 120.570 -0.112 0.000 2.286 295 I HA 0.039 4.208 4.170 -0.002 0.000 0.248 295 I C 1.411 177.505 176.117 -0.039 0.000 1.115 295 I CA 1.090 62.345 61.300 -0.074 0.000 1.392 295 I CB -0.861 37.086 38.000 -0.088 0.000 1.065 295 I HN 0.138 nan 8.210 nan 0.000 0.418 296 G N -0.584 108.207 108.800 -0.015 0.000 3.058 296 G HA2 0.394 4.353 3.960 -0.002 0.000 0.282 296 G HA3 0.394 4.353 3.960 -0.002 0.000 0.282 296 G C -1.672 173.269 174.900 0.068 0.000 1.248 296 G CA -0.528 44.578 45.100 0.009 0.000 0.822 296 G HN 0.007 nan 8.290 nan 0.000 0.579 297 D N 0.503 120.902 120.400 -0.001 0.000 2.443 297 D HA 0.495 5.134 4.640 -0.002 0.000 0.239 297 D C 0.177 176.413 176.300 -0.108 0.000 1.136 297 D CA 0.914 54.859 54.000 -0.091 0.000 0.879 297 D CB 0.762 41.481 40.800 -0.136 0.000 1.195 297 D HN 0.632 nan 8.370 nan 0.000 0.443 298 H N -1.627 117.300 119.070 -0.239 0.000 2.981 298 H HA 0.555 5.110 4.556 -0.002 0.000 0.327 298 H C -1.702 173.502 175.328 -0.206 0.000 1.342 298 H CA -0.997 54.916 56.048 -0.226 0.000 1.123 298 H CB 0.285 30.031 29.762 -0.026 0.000 1.851 298 H HN 0.243 nan 8.280 nan 0.000 0.531 299 Y N 0.205 120.725 120.300 0.367 0.000 2.524 299 Y HA 0.372 4.920 4.550 -0.002 0.000 0.344 299 Y C -0.384 175.831 175.900 0.524 0.000 1.012 299 Y CA -1.342 56.982 58.100 0.374 0.000 1.068 299 Y CB 2.069 40.597 38.460 0.113 0.000 1.249 299 Y HN 0.628 nan 8.280 nan 0.000 0.468 300 L N 2.330 123.950 121.223 0.661 0.000 2.265 300 L HA 0.247 4.585 4.340 -0.002 0.000 0.288 300 L C -0.129 176.797 176.870 0.095 0.000 1.058 300 L CA -0.015 54.891 54.840 0.110 0.000 0.809 300 L CB 0.997 43.049 42.059 -0.011 0.000 1.179 300 L HN 0.963 nan 8.230 nan 0.000 0.429 301 C N 3.412 122.607 119.300 -0.175 0.000 2.525 301 C HA 0.265 4.723 4.460 -0.002 0.000 0.291 301 C C 0.537 175.330 174.990 -0.328 0.000 1.351 301 C CA -0.032 58.827 59.018 -0.265 0.000 1.771 301 C CB -0.036 27.610 27.740 -0.157 0.000 2.177 301 C HN 0.859 nan 8.230 nan 0.000 0.510 302 D N -0.734 119.527 120.400 -0.232 0.000 2.787 302 D HA 0.325 4.964 4.640 -0.002 0.000 0.215 302 D C -1.902 174.178 176.300 -0.365 0.000 1.246 302 D CA 0.125 54.028 54.000 -0.162 0.000 0.798 302 D CB 2.105 42.799 40.800 -0.176 0.000 1.649 302 D HN 0.008 nan 8.370 nan 0.000 0.507 303 V N 2.595 122.257 119.914 -0.420 0.000 2.524 303 V HA 0.505 4.624 4.120 -0.002 0.000 0.297 303 V C -0.550 175.224 176.094 -0.533 0.000 1.035 303 V CA -0.400 61.421 62.300 -0.798 0.000 0.867 303 V CB 1.920 32.713 31.823 -1.716 0.000 1.004 303 V HN 0.630 nan 8.190 nan 0.000 0.426 304 T N 3.391 117.692 114.554 -0.422 0.000 2.949 304 T HA 0.349 4.698 4.350 -0.002 0.000 0.300 304 T C -0.761 173.802 174.700 -0.227 0.000 0.988 304 T CA -0.462 61.544 62.100 -0.156 0.000 0.993 304 T CB 0.739 69.609 68.868 0.003 0.000 0.984 304 T HN 0.512 nan 8.240 nan 0.000 0.442 305 W N 2.062 123.320 121.300 -0.071 0.000 2.210 305 W HA 0.444 5.103 4.660 -0.002 0.000 0.330 305 W C 1.189 177.568 176.519 -0.234 0.000 1.334 305 W CA -0.276 57.011 57.345 -0.096 0.000 1.227 305 W CB 0.547 30.035 29.460 0.047 0.000 1.178 305 W HN 0.848 nan 8.180 nan 0.000 0.560 306 A N 1.993 124.670 122.820 -0.238 0.000 1.920 306 A HA 0.154 4.472 4.320 -0.002 0.000 0.209 306 A C 0.971 178.484 177.584 -0.118 0.000 1.229 306 A CA 1.486 53.109 52.037 -0.691 0.000 0.671 306 A CB -0.416 17.681 19.000 -1.506 0.000 0.886 306 A HN 0.528 nan 8.150 nan 0.000 0.461 307 T N -5.138 109.465 114.554 0.082 0.000 2.693 307 T HA 0.341 4.689 4.350 -0.002 0.000 0.278 307 T C 0.328 175.184 174.700 0.260 0.000 0.994 307 T CA -0.333 61.866 62.100 0.165 0.000 1.033 307 T CB 0.771 69.724 68.868 0.140 0.000 1.342 307 T HN 0.024 nan 8.240 nan 0.000 0.538 308 Q N 0.297 120.207 119.800 0.183 0.000 2.297 308 Q HA -0.014 4.325 4.340 -0.002 0.000 0.208 308 Q C 0.690 176.904 176.000 0.356 0.000 0.981 308 Q CA 1.447 57.345 55.803 0.157 0.000 0.876 308 Q CB -0.072 28.726 28.738 0.099 0.000 0.921 308 Q HN 0.805 nan 8.270 nan 0.000 0.446 309 E N -0.159 120.295 120.200 0.422 0.000 3.029 309 E HA 0.203 4.552 4.350 -0.002 0.000 0.196 309 E C -0.277 176.627 176.600 0.507 0.000 0.973 309 E CA -0.161 56.535 56.400 0.493 0.000 1.242 309 E CB 1.017 30.897 29.700 0.300 0.000 1.056 309 E HN 0.002 nan 8.360 nan 0.000 0.469 310 R N 1.779 122.634 120.500 0.591 0.000 2.535 310 R HA 0.430 4.769 4.340 -0.002 0.000 0.274 310 R C -1.605 174.766 176.300 0.119 0.000 1.090 310 R CA -0.412 55.894 56.100 0.342 0.000 0.930 310 R CB 1.106 31.487 30.300 0.135 0.000 1.223 310 R HN 0.013 nan 8.270 nan 0.000 0.441 311 I N 1.492 121.960 120.570 -0.170 0.000 2.509 311 I HA 0.362 4.531 4.170 -0.002 0.000 0.293 311 I C -0.257 175.582 176.117 -0.464 0.000 1.020 311 I CA -1.072 59.862 61.300 -0.610 0.000 1.088 311 I CB 2.071 39.383 38.000 -1.146 0.000 1.267 311 I HN 0.475 nan 8.210 nan 0.000 0.430 312 S N 6.751 122.174 115.700 -0.462 0.000 2.438 312 S HA 0.645 5.114 4.470 -0.002 0.000 0.293 312 S C -0.680 173.633 174.600 -0.477 0.000 1.141 312 S CA -0.531 57.481 58.200 -0.314 0.000 1.080 312 S CB 0.267 63.432 63.200 -0.059 0.000 0.978 312 S HN 0.488 nan 8.310 nan 0.000 0.479 313 L N 4.853 125.790 121.223 -0.475 0.000 2.322 313 L HA 0.541 4.880 4.340 -0.002 0.000 0.281 313 L C 0.039 176.619 176.870 -0.483 0.000 1.014 313 L CA -0.632 53.815 54.840 -0.655 0.000 0.815 313 L CB 1.865 43.459 42.059 -0.774 0.000 1.247 313 L HN 0.573 nan 8.230 nan 0.000 0.421 314 Q N 1.942 121.416 119.800 -0.542 0.000 2.312 314 Q HA 0.441 4.779 4.340 -0.002 0.000 0.263 314 Q C -1.702 174.063 176.000 -0.391 0.000 0.995 314 Q CA -0.585 55.020 55.803 -0.331 0.000 0.853 314 Q CB 2.625 31.226 28.738 -0.228 0.000 1.300 314 Q HN 0.444 nan 8.270 nan 0.000 0.448 315 W N 2.164 123.430 121.300 -0.056 0.000 2.864 315 W HA 0.652 5.310 4.660 -0.002 0.000 0.343 315 W C -0.877 175.683 176.519 0.068 0.000 1.109 315 W CA -0.514 56.848 57.345 0.028 0.000 1.192 315 W CB 1.387 30.843 29.460 -0.007 0.000 1.426 315 W HN 0.293 nan 8.180 nan 0.000 0.529 316 L N 2.601 124.074 121.223 0.416 0.000 2.410 316 L HA 0.545 4.884 4.340 -0.002 0.000 0.270 316 L C -0.029 177.041 176.870 0.334 0.000 0.983 316 L CA -1.119 53.918 54.840 0.329 0.000 0.822 316 L CB 1.780 44.021 42.059 0.302 0.000 1.285 316 L HN 0.481 nan 8.230 nan 0.000 0.409 317 R N 1.810 122.466 120.500 0.261 0.000 2.582 317 R HA 0.158 4.497 4.340 -0.002 0.000 0.271 317 R C 0.886 177.248 176.300 0.103 0.000 1.078 317 R CA -0.221 55.979 56.100 0.166 0.000 1.127 317 R CB 1.048 31.441 30.300 0.155 0.000 1.038 317 R HN 0.568 nan 8.270 nan 0.000 0.500 318 R N 1.741 122.214 120.500 -0.045 0.000 2.120 318 R HA -0.076 4.262 4.340 -0.002 0.000 0.234 318 R C 0.198 176.543 176.300 0.075 0.000 1.123 318 R CA 1.240 57.298 56.100 -0.070 0.000 0.975 318 R CB -0.046 30.158 30.300 -0.159 0.000 0.866 318 R HN 0.463 nan 8.270 nan 0.000 0.446 319 I N 2.374 122.977 120.570 0.054 0.000 2.347 319 I HA -0.007 4.162 4.170 -0.002 0.000 0.294 319 I C 0.273 176.451 176.117 0.102 0.000 1.090 319 I CA 0.405 61.743 61.300 0.064 0.000 1.314 319 I CB 1.451 39.474 38.000 0.040 0.000 1.423 319 I HN 0.157 nan 8.210 nan 0.000 0.503 320 Q N 5.455 125.314 119.800 0.098 0.000 2.639 320 Q HA 0.048 4.387 4.340 -0.002 0.000 0.301 320 Q C 0.318 176.404 176.000 0.142 0.000 1.029 320 Q CA -0.055 55.824 55.803 0.127 0.000 0.936 320 Q CB -0.378 28.399 28.738 0.064 0.000 1.354 320 Q HN 0.677 nan 8.270 nan 0.000 0.417 321 N N -0.754 118.033 118.700 0.145 0.000 2.200 321 N HA -0.003 4.736 4.740 -0.002 0.000 0.224 321 N C -1.003 174.625 175.510 0.195 0.000 1.179 321 N CA -0.223 52.907 53.050 0.134 0.000 0.877 321 N CB 0.345 38.887 38.487 0.091 0.000 1.072 321 N HN 0.212 nan 8.380 nan 0.000 0.519 322 Y N -0.034 120.298 120.300 0.054 0.000 2.504 322 Y HA 0.612 5.161 4.550 -0.002 0.000 0.344 322 Y C -1.252 174.689 175.900 0.069 0.000 1.023 322 Y CA -0.827 57.302 58.100 0.049 0.000 1.020 322 Y CB 2.064 40.544 38.460 0.033 0.000 1.282 322 Y HN 0.032 nan 8.280 nan 0.000 0.454 323 S N 4.040 119.612 115.700 -0.214 0.000 2.535 323 S HA 0.782 5.251 4.470 -0.002 0.000 0.272 323 S C -2.423 172.071 174.600 -0.177 0.000 1.149 323 S CA -0.532 57.627 58.200 -0.068 0.000 0.888 323 S CB 1.253 64.444 63.200 -0.016 0.000 1.110 323 S HN 0.514 nan 8.310 nan 0.000 0.463 324 V N 5.223 125.130 119.914 -0.012 0.000 2.577 324 V HA 0.537 4.656 4.120 -0.002 0.000 0.303 324 V C -0.213 175.928 176.094 0.077 0.000 1.042 324 V CA -0.587 61.715 62.300 0.003 0.000 0.872 324 V CB 1.692 33.539 31.823 0.039 0.000 0.998 324 V HN 0.959 nan 8.190 nan 0.000 0.423 325 M N 3.939 123.554 119.600 0.024 0.000 2.157 325 M HA 0.518 4.997 4.480 -0.002 0.000 0.354 325 M C -1.209 175.112 176.300 0.033 0.000 1.170 325 M CA -0.215 55.075 55.300 -0.015 0.000 1.060 325 M CB 0.961 33.487 32.600 -0.122 0.000 1.615 325 M HN 0.596 nan 8.290 nan 0.000 0.460 326 D N 5.015 125.426 120.400 0.018 0.000 2.192 326 D HA 0.478 5.116 4.640 -0.002 0.000 0.246 326 D C -0.840 175.437 176.300 -0.038 0.000 1.042 326 D CA -0.139 53.870 54.000 0.015 0.000 0.847 326 D CB 1.619 42.447 40.800 0.047 0.000 1.186 326 D HN 0.447 nan 8.370 nan 0.000 0.461 327 I N 2.184 122.759 120.570 0.008 0.000 2.378 327 I HA 0.364 4.533 4.170 -0.002 0.000 0.291 327 I C -0.326 175.797 176.117 0.010 0.000 0.992 327 I CA -0.649 60.656 61.300 0.008 0.000 1.154 327 I CB 0.851 38.914 38.000 0.105 0.000 1.315 327 I HN 0.251 nan 8.210 nan 0.000 0.448 328 c N 4.550 123.147 118.600 -0.006 0.000 2.431 328 c HA 0.493 5.062 4.570 -0.002 0.000 0.321 328 c C -0.267 173.990 174.090 0.279 0.000 1.202 328 c CA -0.837 55.545 56.329 0.089 0.000 1.398 328 c CB 1.623 44.142 42.510 0.016 0.000 2.047 328 c HN 0.673 nan 8.230 nan 0.000 0.465 329 D N 0.860 121.403 120.400 0.238 0.000 2.248 329 D HA 0.186 4.825 4.640 -0.002 0.000 0.246 329 D C -0.936 175.267 176.300 -0.161 0.000 1.027 329 D CA -0.325 53.756 54.000 0.135 0.000 0.853 329 D CB 1.945 42.773 40.800 0.046 0.000 1.243 329 D HN 0.586 nan 8.370 nan 0.000 0.462 330 Y N 1.851 121.693 120.300 -0.763 0.000 2.537 330 Y HA -0.002 4.547 4.550 -0.002 0.000 0.339 330 Y C 0.274 175.894 175.900 -0.468 0.000 1.066 330 Y CA -0.169 57.255 58.100 -1.126 0.000 1.357 330 Y CB 0.276 38.020 38.460 -1.193 0.000 1.175 330 Y HN 0.172 nan 8.280 nan 0.000 0.525 331 D N 5.737 125.629 120.400 -0.846 0.000 2.374 331 D HA -0.015 4.623 4.640 -0.002 0.000 0.240 331 D C 1.054 176.805 176.300 -0.914 0.000 1.229 331 D CA 0.279 53.905 54.000 -0.624 0.000 0.895 331 D CB 0.498 41.052 40.800 -0.411 0.000 1.046 331 D HN 0.880 nan 8.370 nan 0.000 0.498 332 E N 2.096 121.948 120.200 -0.580 0.000 2.097 332 E HA -0.266 4.082 4.350 -0.002 0.000 0.196 332 E C 1.627 178.070 176.600 -0.261 0.000 1.000 332 E CA 1.669 57.857 56.400 -0.354 0.000 0.804 332 E CB 0.271 29.931 29.700 -0.066 0.000 0.740 332 E HN 0.549 nan 8.360 nan 0.000 0.454 333 S N 0.013 115.583 115.700 -0.217 0.000 2.335 333 S HA -0.175 4.294 4.470 -0.002 0.000 0.216 333 S C 2.243 176.763 174.600 -0.133 0.000 1.032 333 S CA 1.702 59.826 58.200 -0.126 0.000 1.000 333 S CB -0.627 62.516 63.200 -0.094 0.000 0.928 333 S HN 0.338 nan 8.310 nan 0.000 0.434 334 S N 0.635 116.226 115.700 -0.181 0.000 2.453 334 S HA 0.303 4.771 4.470 -0.002 0.000 0.231 334 S C 1.826 176.363 174.600 -0.104 0.000 1.005 334 S CA 1.036 59.162 58.200 -0.124 0.000 0.949 334 S CB -1.019 62.113 63.200 -0.113 0.000 0.774 334 S HN 1.819 nan 8.310 nan 0.000 0.510 335 G N 1.090 109.757 108.800 -0.223 0.000 2.176 335 G HA2 -0.212 3.746 3.960 -0.002 0.000 0.253 335 G HA3 -0.212 3.746 3.960 -0.002 0.000 0.253 335 G C 0.315 175.247 174.900 0.054 0.000 0.979 335 G CA 0.198 45.283 45.100 -0.025 0.000 0.641 335 G HN 0.545 nan 8.290 nan 0.000 0.530 336 R N -1.480 118.928 120.500 -0.154 0.000 2.603 336 R HA 0.699 5.038 4.340 -0.002 0.000 0.231 336 R C -0.717 175.486 176.300 -0.162 0.000 1.263 336 R CA -0.477 55.617 56.100 -0.011 0.000 1.102 336 R CB 0.474 30.770 30.300 -0.006 0.000 1.527 336 R HN 0.199 nan 8.270 nan 0.000 0.554 337 W N 0.438 121.745 121.300 0.012 0.000 2.756 337 W HA 0.348 5.007 4.660 -0.002 0.000 0.333 337 W C -0.739 175.762 176.519 -0.031 0.000 1.025 337 W CA -0.515 56.831 57.345 0.003 0.000 1.246 337 W CB 1.237 30.698 29.460 0.001 0.000 1.358 337 W HN 0.234 nan 8.180 nan 0.000 0.444 338 N N 2.456 121.235 118.700 0.131 0.000 2.392 338 N HA 0.410 5.149 4.740 -0.002 0.000 0.283 338 N C -1.282 174.265 175.510 0.063 0.000 1.003 338 N CA -0.474 52.613 53.050 0.061 0.000 0.892 338 N CB 1.748 40.235 38.487 0.001 0.000 1.193 338 N HN 0.206 nan 8.380 nan 0.000 0.487 339 c N 2.881 121.501 118.600 0.033 0.000 2.176 339 c HA 0.310 4.879 4.570 -0.002 0.000 0.329 339 c C 0.444 174.532 174.090 -0.003 0.000 1.113 339 c CA -0.793 55.543 56.329 0.013 0.000 1.562 339 c CB -1.326 41.177 42.510 -0.011 0.000 2.040 339 c HN 0.500 nan 8.230 nan 0.000 0.460 340 L N 3.651 124.877 121.223 0.006 0.000 2.416 340 L HA 0.145 4.483 4.340 -0.002 0.000 0.272 340 L C 1.219 178.080 176.870 -0.014 0.000 1.161 340 L CA 0.490 55.328 54.840 -0.005 0.000 0.845 340 L CB 1.150 43.211 42.059 0.004 0.000 1.119 340 L HN 0.620 nan 8.230 nan 0.000 0.464 341 V N 3.777 123.674 119.914 -0.028 0.000 3.041 341 V HA -0.100 4.019 4.120 -0.002 0.000 0.260 341 V C 2.105 178.166 176.094 -0.055 0.000 1.105 341 V CA 1.089 63.364 62.300 -0.042 0.000 1.125 341 V CB -1.191 30.606 31.823 -0.044 0.000 0.730 341 V HN 0.938 nan 8.190 nan 0.000 0.479 342 A N 2.220 125.015 122.820 -0.043 0.000 1.908 342 A HA -0.197 4.122 4.320 -0.002 0.000 0.218 342 A C 2.271 179.810 177.584 -0.075 0.000 1.181 342 A CA 1.847 53.853 52.037 -0.051 0.000 0.627 342 A CB -0.376 18.609 19.000 -0.025 0.000 0.818 342 A HN 0.669 nan 8.150 nan 0.000 0.445 343 R N -0.175 120.306 120.500 -0.033 0.000 2.388 343 R HA 0.206 4.545 4.340 -0.002 0.000 0.247 343 R C 0.206 176.503 176.300 -0.006 0.000 0.931 343 R CA -0.172 55.939 56.100 0.018 0.000 1.082 343 R CB -0.273 30.098 30.300 0.118 0.000 1.135 343 R HN 0.559 nan 8.270 nan 0.000 0.525 344 Q N 1.260 120.993 119.800 -0.111 0.000 2.340 344 Q HA 0.140 4.478 4.340 -0.002 0.000 0.249 344 Q C -1.144 174.695 176.000 -0.270 0.000 0.957 344 Q CA 0.067 55.818 55.803 -0.086 0.000 0.882 344 Q CB 0.834 29.532 28.738 -0.068 0.000 1.235 344 Q HN 0.341 nan 8.270 nan 0.000 0.439 345 H N 1.392 120.471 119.070 0.015 0.000 2.679 345 H HA 0.458 5.013 4.556 -0.002 0.000 0.360 345 H C -0.954 174.352 175.328 -0.036 0.000 1.105 345 H CA -0.482 55.585 56.048 0.032 0.000 1.196 345 H CB 1.242 31.061 29.762 0.094 0.000 1.636 345 H HN 0.463 nan 8.280 nan 0.000 0.531 346 I N 1.968 122.563 120.570 0.041 0.000 2.460 346 I HA 0.294 4.463 4.170 -0.002 0.000 0.298 346 I C -0.219 175.848 176.117 -0.084 0.000 0.989 346 I CA -0.450 60.775 61.300 -0.125 0.000 1.173 346 I CB 1.642 39.513 38.000 -0.215 0.000 1.338 346 I HN 0.473 nan 8.210 nan 0.000 0.456 347 E N 6.734 126.828 120.200 -0.176 0.000 2.224 347 E HA 0.598 4.947 4.350 -0.002 0.000 0.265 347 E C -1.274 175.242 176.600 -0.140 0.000 0.878 347 E CA -0.655 55.694 56.400 -0.086 0.000 0.759 347 E CB 2.518 32.195 29.700 -0.038 0.000 1.164 347 E HN 0.473 nan 8.360 nan 0.000 0.414 348 M N 1.534 121.100 119.600 -0.057 0.000 2.501 348 M HA 0.318 4.797 4.480 -0.002 0.000 0.293 348 M C -0.769 175.540 176.300 0.014 0.000 1.192 348 M CA -0.704 54.593 55.300 -0.004 0.000 0.886 348 M CB 2.609 35.234 32.600 0.042 0.000 1.710 348 M HN 0.337 nan 8.290 nan 0.000 0.457 349 S N 0.125 115.835 115.700 0.017 0.000 2.500 349 S HA 0.515 4.984 4.470 -0.002 0.000 0.301 349 S C 0.061 174.648 174.600 -0.022 0.000 1.092 349 S CA -0.398 57.788 58.200 -0.023 0.000 1.030 349 S CB 1.657 64.805 63.200 -0.087 0.000 1.031 349 S HN 0.746 nan 8.310 nan 0.000 0.483 350 T N 2.537 117.074 114.554 -0.027 0.000 3.001 350 T HA 0.093 4.442 4.350 -0.002 0.000 0.251 350 T C 1.579 176.250 174.700 -0.049 0.000 1.040 350 T CA 0.907 62.995 62.100 -0.021 0.000 0.985 350 T CB 0.032 68.900 68.868 -0.001 0.000 1.011 350 T HN 0.819 nan 8.240 nan 0.000 0.509 351 T N -1.414 113.089 114.554 -0.086 0.000 3.037 351 T HA 0.496 4.844 4.350 -0.002 0.000 0.252 351 T C 1.253 175.764 174.700 -0.315 0.000 1.073 351 T CA 0.454 62.492 62.100 -0.102 0.000 1.091 351 T CB 0.568 69.446 68.868 0.016 0.000 0.935 351 T HN 0.367 nan 8.240 nan 0.000 0.488 352 G N 0.503 108.949 108.800 -0.590 0.000 3.159 352 G HA2 0.509 4.468 3.960 -0.002 0.000 0.150 352 G HA3 0.509 4.468 3.960 -0.002 0.000 0.150 352 G C -1.666 173.026 174.900 -0.347 0.000 1.193 352 G CA -0.486 44.111 45.100 -0.837 0.000 1.177 352 G HN 0.512 nan 8.290 nan 0.000 0.635 353 W N -0.239 120.799 121.300 -0.437 0.000 2.869 353 W HA 0.799 5.458 4.660 -0.002 0.000 0.345 353 W C -0.707 175.775 176.519 -0.062 0.000 1.191 353 W CA -1.382 55.859 57.345 -0.173 0.000 1.104 353 W CB 1.014 30.374 29.460 -0.166 0.000 1.471 353 W HN 0.294 nan 8.180 nan 0.000 0.612 354 V N 2.908 122.922 119.914 0.165 0.000 2.439 354 V HA 0.736 4.855 4.120 -0.002 0.000 0.282 354 V C 0.803 176.975 176.094 0.129 0.000 1.039 354 V CA 0.364 62.705 62.300 0.069 0.000 0.913 354 V CB 0.000 31.863 31.823 0.067 0.000 0.983 354 V HN 1.368 nan 8.190 nan 0.000 0.460 355 G N 4.990 113.809 108.800 0.032 0.000 2.782 355 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.228 355 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.228 355 G C 0.359 175.313 174.900 0.090 0.000 1.372 355 G CA 0.373 45.514 45.100 0.069 0.000 0.862 355 G HN 0.637 nan 8.290 nan 0.000 0.547 356 R N -1.196 119.377 120.500 0.123 0.000 2.052 356 R HA 0.220 4.559 4.340 -0.002 0.000 0.224 356 R C 1.952 178.263 176.300 0.019 0.000 1.149 356 R CA 1.792 57.929 56.100 0.062 0.000 0.962 356 R CB -0.078 30.257 30.300 0.059 0.000 0.856 356 R HN 0.421 nan 8.270 nan 0.000 0.433 357 F N 0.264 120.376 119.950 0.269 0.000 2.688 357 F HA 0.292 4.818 4.527 -0.002 0.000 0.310 357 F C 0.142 175.996 175.800 0.090 0.000 1.098 357 F CA -0.391 57.721 58.000 0.186 0.000 1.228 357 F CB 0.631 39.726 39.000 0.159 0.000 1.042 357 F HN -0.006 nan 8.300 nan 0.000 0.557 358 R N -2.437 118.211 120.500 0.247 0.000 3.625 358 R HA 0.138 4.476 4.340 -0.002 0.000 0.272 358 R C -3.372 172.994 176.300 0.109 0.000 0.944 358 R CA -1.514 54.664 56.100 0.130 0.000 0.834 358 R CB -0.862 29.463 30.300 0.042 0.000 1.370 358 R HN -0.357 nan 8.270 nan 0.000 0.536 359 P HA -0.082 nan 4.420 nan 0.000 0.259 359 P C -0.163 177.155 177.300 0.030 0.000 1.155 359 P CA 0.709 63.825 63.100 0.027 0.000 0.759 359 P CB 0.495 32.185 31.700 -0.016 0.000 0.753 360 S N 2.114 117.842 115.700 0.045 0.000 2.589 360 S HA 0.109 4.578 4.470 -0.002 0.000 0.265 360 S C 0.087 174.702 174.600 0.024 0.000 1.342 360 S CA -0.726 57.517 58.200 0.070 0.000 1.005 360 S CB 0.774 64.034 63.200 0.100 0.000 0.909 360 S HN 0.550 nan 8.310 nan 0.000 0.555 361 E N 1.530 121.765 120.200 0.058 0.000 2.266 361 E HA 0.386 4.734 4.350 -0.002 0.000 0.277 361 E C -2.601 173.998 176.600 -0.001 0.000 1.018 361 E CA -2.443 53.949 56.400 -0.013 0.000 0.840 361 E CB 1.019 30.714 29.700 -0.010 0.000 1.082 361 E HN 0.454 nan 8.360 nan 0.000 0.395 362 P HA 0.279 nan 4.420 nan 0.000 0.286 362 P C -1.416 175.834 177.300 -0.084 0.000 1.261 362 P CA -0.459 62.545 63.100 -0.159 0.000 0.821 362 P CB 0.870 32.156 31.700 -0.691 0.000 1.013 363 H N 0.949 120.033 119.070 0.023 0.000 2.587 363 H HA 0.439 4.993 4.556 -0.002 0.000 0.325 363 H C -0.494 174.952 175.328 0.197 0.000 1.012 363 H CA -0.254 55.889 56.048 0.158 0.000 1.213 363 H CB 0.106 29.980 29.762 0.186 0.000 1.431 363 H HN 0.223 nan 8.280 nan 0.000 0.492 364 F N 1.521 121.658 119.950 0.311 0.000 2.384 364 F HA 0.223 4.749 4.527 -0.002 0.000 0.338 364 F C 1.203 177.192 175.800 0.315 0.000 1.103 364 F CA -0.745 57.445 58.000 0.316 0.000 1.157 364 F CB 1.054 40.181 39.000 0.211 0.000 1.167 364 F HN 0.445 nan 8.300 nan 0.000 0.529 365 T N 0.671 115.534 114.554 0.515 0.000 2.898 365 T HA 0.173 4.522 4.350 -0.002 0.000 0.301 365 T C 1.286 176.185 174.700 0.331 0.000 1.049 365 T CA -0.697 61.639 62.100 0.392 0.000 1.095 365 T CB 0.675 69.766 68.868 0.373 0.000 0.976 365 T HN 0.588 nan 8.240 nan 0.000 0.539 366 L N 1.261 122.631 121.223 0.245 0.000 2.197 366 L HA -0.147 4.192 4.340 -0.002 0.000 0.215 366 L C 2.379 179.359 176.870 0.183 0.000 1.095 366 L CA 1.886 56.843 54.840 0.196 0.000 0.764 366 L CB -0.788 41.361 42.059 0.150 0.000 0.897 366 L HN 0.842 nan 8.230 nan 0.000 0.436 367 D N -1.081 119.434 120.400 0.192 0.000 2.277 367 D HA -0.009 4.630 4.640 -0.002 0.000 0.208 367 D C 1.613 178.020 176.300 0.178 0.000 0.962 367 D CA 0.879 54.978 54.000 0.165 0.000 0.865 367 D CB -0.200 40.690 40.800 0.151 0.000 0.939 367 D HN 0.229 nan 8.370 nan 0.000 0.510 368 G N -0.053 108.892 108.800 0.242 0.000 2.141 368 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.231 368 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.231 368 G C 0.818 175.911 174.900 0.322 0.000 0.984 368 G CA 0.255 45.497 45.100 0.237 0.000 0.660 368 G HN 0.321 nan 8.290 nan 0.000 0.525 369 N N -0.090 118.795 118.700 0.308 0.000 2.250 369 N HA 0.196 4.934 4.740 -0.002 0.000 0.190 369 N C 0.718 176.368 175.510 0.233 0.000 1.116 369 N CA 1.038 54.235 53.050 0.245 0.000 0.881 369 N CB 0.750 39.336 38.487 0.165 0.000 1.006 369 N HN 0.780 nan 8.380 nan 0.000 0.491 370 S N -0.016 115.854 115.700 0.282 0.000 2.595 370 S HA 0.778 5.247 4.470 -0.002 0.000 0.281 370 S C -0.814 173.892 174.600 0.177 0.000 1.117 370 S CA -0.932 57.333 58.200 0.108 0.000 0.873 370 S CB 1.819 65.063 63.200 0.072 0.000 1.108 370 S HN 0.149 nan 8.310 nan 0.000 0.477 371 F N -1.571 118.235 119.950 -0.241 0.000 2.626 371 F HA 0.837 5.363 4.527 -0.002 0.000 0.311 371 F C -1.989 173.651 175.800 -0.268 0.000 1.088 371 F CA -1.529 56.270 58.000 -0.335 0.000 0.949 371 F CB 0.772 39.220 39.000 -0.919 0.000 1.322 371 F HN 0.565 nan 8.300 nan 0.000 0.461 372 Y N 1.239 121.665 120.300 0.211 0.000 2.409 372 Y HA 0.682 5.230 4.550 -0.002 0.000 0.339 372 Y C -0.236 175.795 175.900 0.219 0.000 1.033 372 Y CA -0.919 57.298 58.100 0.196 0.000 1.094 372 Y CB 2.134 40.661 38.460 0.113 0.000 1.210 372 Y HN 0.756 nan 8.280 nan 0.000 0.456 373 K N 3.155 123.763 120.400 0.347 0.000 2.569 373 K HA 0.413 4.732 4.320 -0.002 0.000 0.259 373 K C -1.920 174.824 176.600 0.240 0.000 0.932 373 K CA -0.527 55.910 56.287 0.251 0.000 0.833 373 K CB 1.573 34.135 32.500 0.104 0.000 1.340 373 K HN 0.767 nan 8.250 nan 0.000 0.429 374 I N 4.722 125.403 120.570 0.185 0.000 2.496 374 I HA 0.207 4.376 4.170 -0.002 0.000 0.285 374 I C 0.015 176.239 176.117 0.179 0.000 1.080 374 I CA -0.363 61.035 61.300 0.164 0.000 1.404 374 I CB 0.547 38.616 38.000 0.114 0.000 1.403 374 I HN 0.361 nan 8.210 nan 0.000 0.539 375 I N 4.587 125.301 120.570 0.240 0.000 2.686 375 I HA 0.150 4.319 4.170 -0.002 0.000 0.295 375 I C 0.078 176.314 176.117 0.199 0.000 1.114 375 I CA -0.579 60.878 61.300 0.262 0.000 1.038 375 I CB 1.982 40.212 38.000 0.383 0.000 1.238 375 I HN 0.403 nan 8.210 nan 0.000 0.420 376 S N 5.459 121.217 115.700 0.097 0.000 2.498 376 S HA 0.115 4.584 4.470 -0.002 0.000 0.281 376 S C 0.395 175.019 174.600 0.040 0.000 1.265 376 S CA -0.271 57.928 58.200 -0.002 0.000 1.071 376 S CB -0.358 62.809 63.200 -0.056 0.000 0.894 376 S HN 0.774 nan 8.310 nan 0.000 0.491 377 N N 2.865 121.482 118.700 -0.137 0.000 2.364 377 N HA 0.132 4.871 4.740 -0.002 0.000 0.264 377 N C 0.926 176.371 175.510 -0.108 0.000 1.263 377 N CA -0.698 52.172 53.050 -0.301 0.000 0.959 377 N CB 0.260 38.191 38.487 -0.925 0.000 1.204 377 N HN 0.742 nan 8.380 nan 0.000 0.550 378 E N -0.237 119.916 120.200 -0.078 0.000 2.418 378 E HA -0.181 4.167 4.350 -0.002 0.000 0.197 378 E C 0.491 177.061 176.600 -0.050 0.000 1.026 378 E CA 0.958 57.340 56.400 -0.030 0.000 0.862 378 E CB 0.031 29.731 29.700 0.001 0.000 0.799 378 E HN 0.651 nan 8.360 nan 0.000 0.518 379 E N -0.561 119.601 120.200 -0.063 0.000 2.479 379 E HA 0.131 4.479 4.350 -0.002 0.000 0.193 379 E C 0.808 177.393 176.600 -0.026 0.000 1.049 379 E CA 0.545 56.946 56.400 0.001 0.000 0.870 379 E CB 0.631 30.366 29.700 0.057 0.000 0.944 379 E HN 0.443 nan 8.360 nan 0.000 0.492 380 G N 0.230 108.962 108.800 -0.113 0.000 2.136 380 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.242 380 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.242 380 G C -0.464 174.180 174.900 -0.426 0.000 0.989 380 G CA -0.042 44.899 45.100 -0.265 0.000 0.682 380 G HN 0.241 nan 8.290 nan 0.000 0.522 381 Y N -0.409 119.769 120.300 -0.203 0.000 2.420 381 Y HA 0.687 5.236 4.550 -0.002 0.000 0.334 381 Y C 1.032 176.798 175.900 -0.222 0.000 1.094 381 Y CA -1.041 56.930 58.100 -0.214 0.000 1.126 381 Y CB 1.184 39.526 38.460 -0.195 0.000 1.217 381 Y HN 0.086 nan 8.280 nan 0.000 0.462 382 R N 3.073 123.481 120.500 -0.153 0.000 2.234 382 R HA 0.333 4.672 4.340 -0.002 0.000 0.324 382 R C -0.920 175.118 176.300 -0.437 0.000 1.054 382 R CA -0.151 55.835 56.100 -0.189 0.000 0.912 382 R CB 0.173 30.402 30.300 -0.119 0.000 1.030 382 R HN 0.645 nan 8.270 nan 0.000 0.455 383 H N 1.795 120.780 119.070 -0.142 0.000 2.928 383 H HA 0.291 4.846 4.556 -0.002 0.000 0.371 383 H C -0.185 175.162 175.328 0.033 0.000 1.186 383 H CA -0.986 54.952 56.048 -0.183 0.000 1.134 383 H CB 1.693 31.206 29.762 -0.415 0.000 1.824 383 H HN 0.317 nan 8.280 nan 0.000 0.554 384 I N 1.400 122.017 120.570 0.077 0.000 2.598 384 I HA -0.041 4.128 4.170 -0.002 0.000 0.284 384 I C 0.557 176.801 176.117 0.210 0.000 1.140 384 I CA 0.529 61.886 61.300 0.095 0.000 1.420 384 I CB 0.063 38.016 38.000 -0.078 0.000 1.387 384 I HN 0.168 nan 8.210 nan 0.000 0.553 385 c N 7.141 125.857 118.600 0.194 0.000 2.456 385 c HA 0.469 5.037 4.570 -0.002 0.000 0.325 385 c C -0.551 173.517 174.090 -0.038 0.000 1.217 385 c CA -0.536 55.743 56.329 -0.085 0.000 1.687 385 c CB 1.075 43.386 42.510 -0.331 0.000 2.270 385 c HN 0.645 nan 8.230 nan 0.000 0.499 386 Y N 4.290 124.306 120.300 -0.473 0.000 2.331 386 Y HA 0.695 5.244 4.550 -0.002 0.000 0.338 386 Y C -1.160 174.308 175.900 -0.720 0.000 0.976 386 Y CA -1.070 56.687 58.100 -0.572 0.000 1.137 386 Y CB 0.346 38.515 38.460 -0.485 0.000 1.172 386 Y HN 0.595 nan 8.280 nan 0.000 0.478 387 F N 3.768 122.954 119.950 -1.274 0.000 2.508 387 F HA 0.530 5.056 4.527 -0.002 0.000 0.325 387 F C -0.326 174.636 175.800 -1.396 0.000 1.090 387 F CA -0.846 56.334 58.000 -1.366 0.000 0.945 387 F CB 1.921 39.708 39.000 -2.023 0.000 1.156 387 F HN 0.348 nan 8.300 nan 0.000 0.463 388 Q N 3.220 122.586 119.800 -0.722 0.000 2.322 388 Q HA 0.346 4.685 4.340 -0.002 0.000 0.265 388 Q C 0.680 176.617 176.000 -0.106 0.000 0.985 388 Q CA -0.807 54.737 55.803 -0.432 0.000 0.849 388 Q CB 2.505 31.032 28.738 -0.352 0.000 1.274 388 Q HN 0.565 nan 8.270 nan 0.000 0.449 389 I N 1.652 122.249 120.570 0.044 0.000 2.143 389 I HA -0.319 3.850 4.170 -0.002 0.000 0.245 389 I C 1.146 177.417 176.117 0.257 0.000 1.068 389 I CA 1.886 63.349 61.300 0.271 0.000 1.326 389 I CB -0.356 37.809 38.000 0.275 0.000 1.028 389 I HN 0.733 nan 8.210 nan 0.000 0.412 390 D N 0.176 120.646 120.400 0.118 0.000 2.339 390 D HA 0.046 4.685 4.640 -0.002 0.000 0.217 390 D C 0.703 177.012 176.300 0.016 0.000 1.050 390 D CA 0.334 54.369 54.000 0.059 0.000 0.856 390 D CB 0.637 41.457 40.800 0.034 0.000 0.922 390 D HN 0.350 nan 8.370 nan 0.000 0.518 391 K N 1.316 121.727 120.400 0.020 0.000 2.203 391 K HA 0.252 4.571 4.320 -0.002 0.000 0.251 391 K C 0.333 176.918 176.600 -0.026 0.000 0.944 391 K CA -0.761 55.508 56.287 -0.031 0.000 0.829 391 K CB 2.289 34.746 32.500 -0.071 0.000 1.125 391 K HN -0.093 nan 8.250 nan 0.000 0.430 392 K N 1.667 122.030 120.400 -0.063 0.000 2.187 392 K HA 0.027 4.346 4.320 -0.002 0.000 0.247 392 K C -0.354 176.176 176.600 -0.117 0.000 1.019 392 K CA -0.346 55.898 56.287 -0.071 0.000 0.893 392 K CB 0.254 32.711 32.500 -0.073 0.000 1.025 392 K HN 0.626 nan 8.250 nan 0.000 0.500 393 D N -1.459 118.869 120.400 -0.121 0.000 3.347 393 D HA -0.307 4.332 4.640 -0.002 0.000 0.234 393 D C 0.026 176.032 176.300 -0.489 0.000 1.753 393 D CA 1.293 55.152 54.000 -0.235 0.000 1.103 393 D CB -1.258 39.405 40.800 -0.229 0.000 0.762 393 D HN 1.067 nan 8.370 nan 0.000 0.910 394 c N -3.607 114.586 118.600 -0.678 0.000 3.292 394 c HA 0.654 5.223 4.570 -0.002 0.000 0.338 394 c C -0.717 172.948 174.090 -0.709 0.000 1.323 394 c CA -0.629 55.117 56.329 -0.972 0.000 1.232 394 c CB 1.574 42.908 42.510 -1.960 0.000 1.517 394 c HN 0.696 nan 8.230 nan 0.000 0.470 395 T N 1.940 116.156 114.554 -0.562 0.000 2.771 395 T HA 0.568 4.917 4.350 -0.002 0.000 0.281 395 T C -0.683 173.784 174.700 -0.389 0.000 0.982 395 T CA 0.109 62.006 62.100 -0.337 0.000 0.978 395 T CB 0.418 69.244 68.868 -0.070 0.000 0.930 395 T HN 0.447 nan 8.240 nan 0.000 0.447 396 F N 3.440 123.273 119.950 -0.195 0.000 2.472 396 F HA 0.251 4.777 4.527 -0.002 0.000 0.364 396 F C 1.558 177.189 175.800 -0.282 0.000 1.090 396 F CA -1.160 56.711 58.000 -0.214 0.000 1.188 396 F CB 0.275 39.152 39.000 -0.204 0.000 1.105 396 F HN 0.565 nan 8.300 nan 0.000 0.536 397 I N 0.139 120.603 120.570 -0.177 0.000 3.883 397 I HA 0.210 4.379 4.170 -0.002 0.000 0.326 397 I C 0.185 176.172 176.117 -0.217 0.000 1.283 397 I CA 0.232 61.240 61.300 -0.485 0.000 1.161 397 I CB -0.076 37.396 38.000 -0.880 0.000 1.012 397 I HN 0.502 nan 8.210 nan 0.000 0.421 398 T N 0.022 114.491 114.554 -0.141 0.000 2.883 398 T HA 0.618 4.967 4.350 -0.002 0.000 0.301 398 T C -0.929 173.440 174.700 -0.550 0.000 1.158 398 T CA -0.755 61.260 62.100 -0.143 0.000 1.007 398 T CB 2.549 71.418 68.868 0.002 0.000 1.186 398 T HN 0.426 nan 8.240 nan 0.000 0.499 399 K N 0.580 120.514 120.400 -0.777 0.000 2.578 399 K HA 0.743 5.062 4.320 -0.002 0.000 0.269 399 K C -0.557 175.449 176.600 -0.991 0.000 0.941 399 K CA -0.883 54.645 56.287 -1.265 0.000 0.847 399 K CB 1.613 33.724 32.500 -0.649 0.000 1.397 399 K HN 1.528 nan 8.250 nan 0.000 0.422 400 G N 0.067 108.216 108.800 -1.086 0.000 2.341 400 G HA2 0.107 4.065 3.960 -0.002 0.000 0.293 400 G HA3 0.107 4.065 3.960 -0.002 0.000 0.293 400 G C -1.147 173.170 174.900 -0.971 0.000 1.298 400 G CA -0.617 43.996 45.100 -0.812 0.000 0.868 400 G HN 0.363 nan 8.290 nan 0.000 0.540 401 T N 2.082 116.196 114.554 -0.732 0.000 3.268 401 T HA 0.451 4.800 4.350 -0.002 0.000 0.244 401 T C -0.335 174.162 174.700 -0.339 0.000 0.915 401 T CA 0.424 62.031 62.100 -0.821 0.000 0.935 401 T CB -1.008 67.657 68.868 -0.337 0.000 1.110 401 T HN 0.563 nan 8.240 nan 0.000 0.573 402 W N -0.360 120.747 121.300 -0.322 0.000 2.895 402 W HA 0.620 5.278 4.660 -0.002 0.000 0.377 402 W C -1.549 174.921 176.519 -0.081 0.000 1.191 402 W CA -0.954 56.336 57.345 -0.092 0.000 1.179 402 W CB 0.796 30.203 29.460 -0.088 0.000 1.469 402 W HN -0.112 nan 8.180 nan 0.000 0.577 403 E N 0.806 121.192 120.200 0.310 0.000 2.340 403 E HA 0.399 4.748 4.350 -0.002 0.000 0.273 403 E C -1.192 175.508 176.600 0.167 0.000 0.891 403 E CA -1.121 55.250 56.400 -0.050 0.000 0.757 403 E CB 3.496 33.222 29.700 0.043 0.000 1.231 403 E HN 0.163 nan 8.360 nan 0.000 0.439 404 V N 3.416 123.281 119.914 -0.081 0.000 2.521 404 V HA -0.027 4.092 4.120 -0.002 0.000 0.286 404 V C 1.035 177.215 176.094 0.144 0.000 1.034 404 V CA 0.513 62.883 62.300 0.116 0.000 1.045 404 V CB 0.559 32.354 31.823 -0.047 0.000 0.974 404 V HN 0.672 nan 8.190 nan 0.000 0.480 405 I N 3.616 124.302 120.570 0.193 0.000 2.339 405 I HA 0.263 4.431 4.170 -0.002 0.000 0.245 405 I C 1.172 177.404 176.117 0.192 0.000 1.096 405 I CA 1.396 62.805 61.300 0.182 0.000 1.408 405 I CB -0.169 37.875 38.000 0.073 0.000 1.092 405 I HN 0.765 nan 8.210 nan 0.000 0.423 406 G N -0.629 108.286 108.800 0.192 0.000 2.673 406 G HA2 0.552 4.511 3.960 -0.002 0.000 0.292 406 G HA3 0.552 4.511 3.960 -0.002 0.000 0.292 406 G C -1.362 173.638 174.900 0.167 0.000 1.450 406 G CA -0.569 44.643 45.100 0.187 0.000 0.837 406 G HN -0.069 nan 8.290 nan 0.000 0.505 407 I N 1.248 121.854 120.570 0.060 0.000 2.365 407 I HA 0.284 4.453 4.170 -0.002 0.000 0.291 407 I C 0.580 176.651 176.117 -0.077 0.000 1.004 407 I CA -0.485 60.732 61.300 -0.138 0.000 1.311 407 I CB 1.783 39.412 38.000 -0.618 0.000 1.401 407 I HN 0.491 nan 8.210 nan 0.000 0.491 408 E N 4.696 124.889 120.200 -0.012 0.000 2.434 408 E HA 0.371 4.720 4.350 -0.002 0.000 0.207 408 E C -0.100 176.425 176.600 -0.126 0.000 0.929 408 E CA 0.118 56.556 56.400 0.063 0.000 1.001 408 E CB 1.252 31.069 29.700 0.195 0.000 1.016 408 E HN 0.653 nan 8.360 nan 0.000 0.502 409 A N 0.933 123.583 122.820 -0.283 0.000 2.565 409 A HA 0.587 4.906 4.320 -0.002 0.000 0.298 409 A C -1.690 175.790 177.584 -0.174 0.000 1.062 409 A CA -0.559 51.196 52.037 -0.469 0.000 0.723 409 A CB 1.115 19.186 19.000 -1.548 0.000 1.282 409 A HN 0.069 nan 8.150 nan 0.000 0.400 410 L N 2.816 123.992 121.223 -0.078 0.000 2.409 410 L HA 0.745 5.084 4.340 -0.002 0.000 0.272 410 L C -0.024 176.875 176.870 0.048 0.000 0.980 410 L CA -0.236 54.601 54.840 -0.004 0.000 0.826 410 L CB 2.337 44.424 42.059 0.047 0.000 1.268 410 L HN 1.111 nan 8.230 nan 0.000 0.407 411 T N -0.978 113.624 114.554 0.081 0.000 2.807 411 T HA 0.268 4.617 4.350 -0.002 0.000 0.277 411 T C 0.874 175.620 174.700 0.077 0.000 1.006 411 T CA -0.434 61.729 62.100 0.106 0.000 1.006 411 T CB 1.676 70.658 68.868 0.190 0.000 1.274 411 T HN 0.362 nan 8.240 nan 0.000 0.569 412 S N 0.025 115.768 115.700 0.070 0.000 2.368 412 S HA -0.112 4.356 4.470 -0.002 0.000 0.225 412 S C 1.328 175.905 174.600 -0.038 0.000 1.030 412 S CA 1.535 59.756 58.200 0.035 0.000 0.999 412 S CB -0.693 62.529 63.200 0.036 0.000 0.844 412 S HN 0.714 nan 8.310 nan 0.000 0.459 413 D N -1.381 118.968 120.400 -0.085 0.000 2.277 413 D HA 0.141 4.780 4.640 -0.002 0.000 0.209 413 D C -0.317 175.655 176.300 -0.547 0.000 0.970 413 D CA 0.660 54.443 54.000 -0.362 0.000 0.874 413 D CB 0.257 40.736 40.800 -0.535 0.000 0.982 413 D HN 0.383 nan 8.370 nan 0.000 0.504 414 Y N -0.198 120.043 120.300 -0.098 0.000 2.545 414 Y HA 0.495 5.044 4.550 -0.002 0.000 0.348 414 Y C -0.407 175.334 175.900 -0.265 0.000 1.002 414 Y CA -1.069 56.886 58.100 -0.241 0.000 1.039 414 Y CB 2.290 40.470 38.460 -0.468 0.000 1.271 414 Y HN -0.283 nan 8.280 nan 0.000 0.467 415 L N 2.687 123.807 121.223 -0.172 0.000 2.313 415 L HA 0.599 4.938 4.340 -0.002 0.000 0.283 415 L C -1.797 174.967 176.870 -0.176 0.000 1.013 415 L CA -0.577 54.139 54.840 -0.206 0.000 0.816 415 L CB 0.697 42.532 42.059 -0.373 0.000 1.236 415 L HN 0.595 nan 8.230 nan 0.000 0.419 416 Y N 4.753 124.969 120.300 -0.140 0.000 2.387 416 Y HA 0.602 5.151 4.550 -0.002 0.000 0.336 416 Y C -0.373 175.527 175.900 -0.001 0.000 1.067 416 Y CA -0.487 57.537 58.100 -0.127 0.000 1.114 416 Y CB 1.412 39.667 38.460 -0.342 0.000 1.208 416 Y HN 0.553 nan 8.280 nan 0.000 0.458 417 Y N -0.389 119.972 120.300 0.101 0.000 2.689 417 Y HA 0.800 5.349 4.550 -0.002 0.000 0.333 417 Y C -2.134 173.851 175.900 0.143 0.000 1.208 417 Y CA -1.800 56.346 58.100 0.077 0.000 1.055 417 Y CB 1.160 39.636 38.460 0.027 0.000 1.304 417 Y HN 0.467 nan 8.280 nan 0.000 0.455 418 I N 2.590 123.333 120.570 0.289 0.000 2.509 418 I HA 0.666 4.835 4.170 -0.002 0.000 0.293 418 I C -0.609 175.660 176.117 0.253 0.000 1.020 418 I CA -0.603 60.797 61.300 0.166 0.000 1.088 418 I CB 2.173 40.233 38.000 0.100 0.000 1.267 418 I HN 0.820 nan 8.210 nan 0.000 0.430 419 S N 3.893 119.687 115.700 0.157 0.000 2.638 419 S HA 0.369 4.838 4.470 -0.002 0.000 0.274 419 S C -0.601 174.009 174.600 0.017 0.000 1.157 419 S CA -0.865 57.408 58.200 0.122 0.000 0.826 419 S CB 1.650 64.805 63.200 -0.075 0.000 1.139 419 S HN 0.788 nan 8.310 nan 0.000 0.474 420 N N 0.390 119.101 118.700 0.019 0.000 2.321 420 N HA 0.164 4.903 4.740 -0.002 0.000 0.242 420 N C 0.846 176.285 175.510 -0.118 0.000 1.141 420 N CA -0.291 52.737 53.050 -0.036 0.000 0.864 420 N CB 0.359 38.827 38.487 -0.030 0.000 1.100 420 N HN 0.741 nan 8.380 nan 0.000 0.510 421 E N 0.825 120.765 120.200 -0.432 0.000 2.058 421 E HA -0.255 4.094 4.350 -0.002 0.000 0.194 421 E C -0.190 176.243 176.600 -0.277 0.000 0.997 421 E CA 0.653 56.575 56.400 -0.798 0.000 0.801 421 E CB -0.136 28.599 29.700 -1.608 0.000 0.746 421 E HN 0.429 nan 8.360 nan 0.000 0.450 422 Y N 2.243 122.423 120.300 -0.199 0.000 2.847 422 Y HA -0.181 4.367 4.550 -0.002 0.000 0.370 422 Y C 0.147 176.001 175.900 -0.077 0.000 1.335 422 Y CA 0.969 59.014 58.100 -0.092 0.000 1.693 422 Y CB -0.370 38.065 38.460 -0.042 0.000 1.209 422 Y HN 0.141 nan 8.280 nan 0.000 0.517 423 K N 3.506 123.604 120.400 -0.504 0.000 3.230 423 K HA -0.198 4.121 4.320 -0.002 0.000 0.285 423 K C 0.799 177.308 176.600 -0.151 0.000 1.196 423 K CA 0.641 56.685 56.287 -0.404 0.000 0.838 423 K CB -1.721 30.479 32.500 -0.499 0.000 1.262 423 K HN 1.235 nan 8.250 nan 0.000 0.492 424 G N 0.882 109.615 108.800 -0.111 0.000 2.361 424 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.294 424 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.294 424 G C 0.031 174.915 174.900 -0.025 0.000 1.004 424 G CA 0.987 46.075 45.100 -0.021 0.000 0.870 424 G HN 0.350 nan 8.290 nan 0.000 0.510 425 M N 0.693 120.200 119.600 -0.154 0.000 2.080 425 M HA 0.279 4.757 4.480 -0.002 0.000 0.350 425 M C -1.094 174.937 176.300 -0.447 0.000 1.143 425 M CA -2.176 52.873 55.300 -0.419 0.000 1.064 425 M CB 1.913 34.367 32.600 -0.244 0.000 1.429 425 M HN -0.051 nan 8.290 nan 0.000 0.418 426 P HA 0.033 nan 4.420 nan 0.000 0.229 426 P C 1.009 178.130 177.300 -0.298 0.000 1.160 426 P CA 0.781 63.662 63.100 -0.365 0.000 0.777 426 P CB 0.149 31.642 31.700 -0.344 0.000 0.814 427 G N -0.502 108.053 108.800 -0.408 0.000 3.262 427 G HA2 0.325 4.283 3.960 -0.002 0.000 0.228 427 G HA3 0.325 4.283 3.960 -0.002 0.000 0.228 427 G C 0.605 175.514 174.900 0.014 0.000 1.197 427 G CA 0.076 45.088 45.100 -0.146 0.000 0.819 427 G HN 0.427 nan 8.290 nan 0.000 0.531 428 G N -0.391 108.359 108.800 -0.083 0.000 2.600 428 G HA2 0.722 4.681 3.960 -0.002 0.000 0.303 428 G HA3 0.722 4.681 3.960 -0.002 0.000 0.303 428 G C -0.978 173.790 174.900 -0.220 0.000 1.253 428 G CA -1.020 44.054 45.100 -0.043 0.000 0.974 428 G HN 0.215 nan 8.290 nan 0.000 0.483 429 R N 0.629 120.946 120.500 -0.305 0.000 2.515 429 R HA 0.350 4.688 4.340 -0.002 0.000 0.278 429 R C -1.372 174.865 176.300 -0.104 0.000 1.107 429 R CA -0.834 55.080 56.100 -0.309 0.000 0.945 429 R CB 2.219 32.120 30.300 -0.664 0.000 1.219 429 R HN 0.528 nan 8.270 nan 0.000 0.434 430 N N 1.951 120.635 118.700 -0.027 0.000 2.405 430 N HA 0.399 5.138 4.740 -0.002 0.000 0.285 430 N C -1.095 174.291 175.510 -0.207 0.000 1.262 430 N CA -0.752 52.213 53.050 -0.143 0.000 0.773 430 N CB 2.463 40.748 38.487 -0.337 0.000 1.490 430 N HN 0.250 nan 8.380 nan 0.000 0.486 431 L N 1.679 122.634 121.223 -0.447 0.000 2.371 431 L HA 0.371 4.709 4.340 -0.002 0.000 0.272 431 L C -1.090 175.394 176.870 -0.644 0.000 1.124 431 L CA -0.118 54.486 54.840 -0.393 0.000 0.816 431 L CB 0.288 42.102 42.059 -0.407 0.000 1.129 431 L HN 0.551 nan 8.230 nan 0.000 0.448 432 Y N 2.903 122.869 120.300 -0.557 0.000 2.609 432 Y HA 0.456 5.005 4.550 -0.002 0.000 0.342 432 Y C -0.464 175.135 175.900 -0.502 0.000 1.058 432 Y CA -0.869 56.825 58.100 -0.676 0.000 1.055 432 Y CB 1.976 39.679 38.460 -1.261 0.000 1.292 432 Y HN 0.370 nan 8.280 nan 0.000 0.476 433 K N 2.426 122.714 120.400 -0.186 0.000 2.507 433 K HA 0.631 4.950 4.320 -0.002 0.000 0.251 433 K C -1.881 174.706 176.600 -0.021 0.000 0.943 433 K CA -0.371 55.750 56.287 -0.277 0.000 0.794 433 K CB 1.296 33.555 32.500 -0.401 0.000 1.188 433 K HN 0.587 nan 8.250 nan 0.000 0.428 434 I N 3.164 123.750 120.570 0.026 0.000 2.406 434 I HA 0.226 4.395 4.170 -0.002 0.000 0.290 434 I C 0.001 176.189 176.117 0.117 0.000 0.999 434 I CA -0.947 60.428 61.300 0.126 0.000 1.124 434 I CB 1.896 39.977 38.000 0.136 0.000 1.289 434 I HN 0.447 nan 8.210 nan 0.000 0.441 435 Q N 4.952 124.817 119.800 0.107 0.000 2.281 435 Q HA 0.214 4.553 4.340 -0.002 0.000 0.267 435 Q C 0.932 176.882 176.000 -0.083 0.000 1.053 435 Q CA -0.069 55.681 55.803 -0.087 0.000 0.905 435 Q CB 1.486 30.175 28.738 -0.081 0.000 1.195 435 Q HN 0.698 nan 8.270 nan 0.000 0.398 436 L N 1.910 123.032 121.223 -0.168 0.000 2.191 436 L HA -0.196 4.143 4.340 -0.002 0.000 0.212 436 L C 2.298 179.067 176.870 -0.168 0.000 1.103 436 L CA 1.332 56.135 54.840 -0.063 0.000 0.769 436 L CB -0.289 41.717 42.059 -0.089 0.000 0.908 436 L HN 0.607 nan 8.230 nan 0.000 0.438 437 S N -2.101 113.468 115.700 -0.219 0.000 2.527 437 S HA -0.068 4.400 4.470 -0.002 0.000 0.222 437 S C 0.540 174.969 174.600 -0.285 0.000 0.985 437 S CA 0.147 58.202 58.200 -0.243 0.000 0.921 437 S CB 0.050 63.141 63.200 -0.182 0.000 0.772 437 S HN 0.381 nan 8.310 nan 0.000 0.529 438 D N -0.304 119.945 120.400 -0.253 0.000 2.478 438 D HA 0.234 4.873 4.640 -0.002 0.000 0.240 438 D C -0.059 176.176 176.300 -0.108 0.000 1.364 438 D CA -0.691 53.169 54.000 -0.234 0.000 0.987 438 D CB 0.400 41.126 40.800 -0.123 0.000 1.328 438 D HN -0.035 nan 8.370 nan 0.000 0.584 439 Y N 1.394 121.676 120.300 -0.030 0.000 2.193 439 Y HA -0.214 4.335 4.550 -0.002 0.000 0.285 439 Y C 2.687 178.596 175.900 0.014 0.000 1.166 439 Y CA 1.834 59.928 58.100 -0.010 0.000 1.181 439 Y CB -1.318 37.138 38.460 -0.008 0.000 0.976 439 Y HN 0.526 nan 8.280 nan 0.000 0.520 440 T N -1.697 112.936 114.554 0.131 0.000 3.051 440 T HA -0.110 4.238 4.350 -0.002 0.000 0.269 440 T C 0.765 175.516 174.700 0.086 0.000 1.127 440 T CA 0.436 62.594 62.100 0.097 0.000 1.107 440 T CB -0.355 68.547 68.868 0.058 0.000 0.898 440 T HN 0.147 nan 8.240 nan 0.000 0.517 441 K N 2.222 122.668 120.400 0.077 0.000 2.127 441 K HA 0.377 4.696 4.320 -0.002 0.000 0.261 441 K C -1.115 175.546 176.600 0.102 0.000 1.129 441 K CA -0.229 56.101 56.287 0.071 0.000 0.993 441 K CB 0.645 33.172 32.500 0.043 0.000 1.410 441 K HN 0.206 nan 8.250 nan 0.000 0.380 442 V N 2.304 122.284 119.914 0.109 0.000 2.378 442 V HA 0.191 4.309 4.120 -0.002 0.000 0.288 442 V C 0.076 176.227 176.094 0.096 0.000 1.016 442 V CA -0.843 61.538 62.300 0.136 0.000 0.840 442 V CB 1.651 33.589 31.823 0.191 0.000 0.994 442 V HN 0.484 nan 8.190 nan 0.000 0.431 443 T N 3.658 118.237 114.554 0.041 0.000 2.767 443 T HA 0.202 4.551 4.350 -0.002 0.000 0.284 443 T C -0.098 174.512 174.700 -0.151 0.000 0.973 443 T CA -0.183 61.889 62.100 -0.046 0.000 0.996 443 T CB 1.067 69.882 68.868 -0.089 0.000 0.927 443 T HN 0.805 nan 8.240 nan 0.000 0.456 444 C N 5.979 125.127 119.300 -0.254 0.000 2.555 444 C HA 0.303 4.761 4.460 -0.002 0.000 0.385 444 C C 1.875 176.543 174.990 -0.537 0.000 1.296 444 C CA -0.550 58.077 59.018 -0.652 0.000 1.757 444 C CB -1.987 25.310 27.740 -0.738 0.000 2.445 444 C HN 0.960 nan 8.230 nan 0.000 0.571 445 L N 4.558 125.431 121.223 -0.585 0.000 2.240 445 L HA 0.023 4.361 4.340 -0.002 0.000 0.211 445 L C 2.300 178.871 176.870 -0.498 0.000 1.106 445 L CA 1.538 56.121 54.840 -0.429 0.000 0.793 445 L CB -0.314 41.530 42.059 -0.358 0.000 0.927 445 L HN 0.901 nan 8.230 nan 0.000 0.446 446 S N -3.001 112.294 115.700 -0.674 0.000 2.649 446 S HA -0.015 4.453 4.470 -0.002 0.000 0.246 446 S C 1.822 176.076 174.600 -0.577 0.000 1.057 446 S CA -0.180 57.549 58.200 -0.785 0.000 1.051 446 S CB -0.251 62.106 63.200 -1.404 0.000 1.018 446 S HN 0.309 nan 8.310 nan 0.000 0.569 447 C N 2.405 121.320 119.300 -0.642 0.000 2.403 447 C HA 0.022 4.481 4.460 -0.002 0.000 0.277 447 C C 2.206 176.913 174.990 -0.473 0.000 1.248 447 C CA 1.050 59.606 59.018 -0.770 0.000 1.762 447 C CB -0.853 26.141 27.740 -1.242 0.000 2.014 447 C HN 0.610 nan 8.230 nan 0.000 0.486 448 E N -0.117 119.895 120.200 -0.313 0.000 2.526 448 E HA 0.210 4.559 4.350 -0.002 0.000 0.208 448 E C 1.848 178.398 176.600 -0.083 0.000 0.997 448 E CA -0.097 56.211 56.400 -0.154 0.000 0.961 448 E CB -0.243 29.385 29.700 -0.119 0.000 1.030 448 E HN 0.608 nan 8.360 nan 0.000 0.483 449 L N 0.677 121.850 121.223 -0.083 0.000 1.971 449 L HA -0.132 4.207 4.340 -0.002 0.000 0.215 449 L C 1.126 178.008 176.870 0.019 0.000 1.072 449 L CA 1.157 55.989 54.840 -0.013 0.000 0.758 449 L CB -0.164 41.906 42.059 0.018 0.000 0.889 449 L HN 0.036 nan 8.230 nan 0.000 0.433 450 N N -1.185 117.539 118.700 0.040 0.000 2.640 450 N HA 0.149 4.888 4.740 -0.002 0.000 0.262 450 N C -2.120 173.399 175.510 0.015 0.000 1.174 450 N CA -1.278 51.782 53.050 0.015 0.000 0.791 450 N CB 1.444 39.931 38.487 -0.000 0.000 1.279 450 N HN -0.158 nan 8.380 nan 0.000 0.535 451 P HA -0.065 nan 4.420 nan 0.000 0.222 451 P C 0.442 177.769 177.300 0.045 0.000 1.147 451 P CA 1.198 64.328 63.100 0.049 0.000 0.790 451 P CB 0.835 32.577 31.700 0.070 0.000 0.780 452 E N -0.743 119.466 120.200 0.015 0.000 2.127 452 E HA 0.052 4.401 4.350 -0.002 0.000 0.191 452 E C 2.347 178.931 176.600 -0.026 0.000 0.964 452 E CA 0.271 56.672 56.400 0.002 0.000 0.832 452 E CB -0.199 29.498 29.700 -0.006 0.000 0.790 452 E HN 0.036 nan 8.360 nan 0.000 0.465 453 R N -0.573 119.900 120.500 -0.046 0.000 2.153 453 R HA 0.120 4.458 4.340 -0.002 0.000 0.218 453 R C -0.341 175.893 176.300 -0.110 0.000 1.072 453 R CA 0.589 56.636 56.100 -0.087 0.000 0.990 453 R CB 0.298 30.543 30.300 -0.093 0.000 0.889 453 R HN 0.133 nan 8.270 nan 0.000 0.452 454 c N 0.399 118.943 118.600 -0.094 0.000 2.478 454 c HA 0.356 4.925 4.570 -0.002 0.000 0.334 454 c C -0.213 173.821 174.090 -0.094 0.000 1.106 454 c CA -0.706 55.511 56.329 -0.187 0.000 1.363 454 c CB 1.371 43.727 42.510 -0.258 0.000 1.941 454 c HN 0.466 nan 8.230 nan 0.000 0.436 455 Q N 0.593 120.351 119.800 -0.069 0.000 2.086 455 Q HA 0.227 4.565 4.340 -0.002 0.000 0.220 455 Q C -0.913 175.123 176.000 0.060 0.000 0.792 455 Q CA 0.019 55.851 55.803 0.048 0.000 1.062 455 Q CB 1.232 30.032 28.738 0.104 0.000 1.198 455 Q HN 0.771 nan 8.270 nan 0.000 0.466 456 Y N 0.482 120.655 120.300 -0.212 0.000 2.541 456 Y HA 0.342 4.891 4.550 -0.002 0.000 0.350 456 Y C -1.601 174.153 175.900 -0.244 0.000 1.075 456 Y CA -1.056 56.950 58.100 -0.155 0.000 1.302 456 Y CB 0.543 38.931 38.460 -0.121 0.000 1.094 456 Y HN -0.023 nan 8.280 nan 0.000 0.579 457 Y N 1.599 121.808 120.300 -0.152 0.000 2.453 457 Y HA 0.642 5.190 4.550 -0.002 0.000 0.326 457 Y C 0.575 176.413 175.900 -0.103 0.000 1.186 457 Y CA -0.394 57.644 58.100 -0.104 0.000 1.200 457 Y CB 1.967 40.340 38.460 -0.145 0.000 1.247 457 Y HN 0.451 nan 8.280 nan 0.000 0.482 458 S N 0.682 116.479 115.700 0.161 0.000 2.671 458 S HA 0.867 5.336 4.470 -0.002 0.000 0.299 458 S C -1.551 173.127 174.600 0.129 0.000 1.116 458 S CA -0.733 57.544 58.200 0.129 0.000 0.912 458 S CB 1.832 65.116 63.200 0.141 0.000 1.130 458 S HN 0.637 nan 8.310 nan 0.000 0.501 459 V N 0.405 120.393 119.914 0.123 0.000 3.049 459 V HA 0.860 4.979 4.120 -0.002 0.000 0.309 459 V C -1.271 174.907 176.094 0.141 0.000 1.148 459 V CA -0.114 62.230 62.300 0.074 0.000 0.990 459 V CB 2.277 34.074 31.823 -0.044 0.000 1.039 459 V HN 1.286 nan 8.190 nan 0.000 0.430 460 S N 5.165 120.938 115.700 0.122 0.000 2.746 460 S HA 0.613 5.082 4.470 -0.002 0.000 0.273 460 S C -1.132 173.657 174.600 0.314 0.000 1.172 460 S CA -0.406 57.966 58.200 0.287 0.000 1.116 460 S CB 0.336 63.734 63.200 0.330 0.000 1.057 460 S HN 0.516 nan 8.310 nan 0.000 0.483 461 F N 3.604 123.659 119.950 0.175 0.000 2.412 461 F HA 0.366 4.892 4.527 -0.002 0.000 0.348 461 F C 1.507 177.057 175.800 -0.417 0.000 1.102 461 F CA -0.005 57.964 58.000 -0.053 0.000 1.196 461 F CB 1.249 40.163 39.000 -0.143 0.000 1.144 461 F HN 0.692 nan 8.300 nan 0.000 0.541 462 S N 2.732 117.891 115.700 -0.902 0.000 2.587 462 S HA 0.192 4.660 4.470 -0.002 0.000 0.260 462 S C -0.200 174.157 174.600 -0.405 0.000 1.353 462 S CA -0.883 56.466 58.200 -1.418 0.000 0.995 462 S CB 0.439 62.753 63.200 -1.476 0.000 0.912 462 S HN 0.572 nan 8.310 nan 0.000 0.568 463 K N 1.332 121.613 120.400 -0.198 0.000 2.350 463 K HA 0.154 4.473 4.320 -0.002 0.000 0.279 463 K C 0.474 177.067 176.600 -0.011 0.000 1.027 463 K CA 0.277 56.555 56.287 -0.016 0.000 0.969 463 K CB 0.088 32.630 32.500 0.070 0.000 0.954 463 K HN 0.730 nan 8.250 nan 0.000 0.474 464 E N 1.374 121.582 120.200 0.014 0.000 3.286 464 E HA -0.339 4.010 4.350 -0.002 0.000 0.292 464 E C 0.031 176.614 176.600 -0.028 0.000 0.928 464 E CA 0.523 56.931 56.400 0.012 0.000 0.982 464 E CB -1.536 28.182 29.700 0.029 0.000 1.500 464 E HN 0.901 nan 8.360 nan 0.000 0.441 465 A N -0.333 122.452 122.820 -0.057 0.000 2.799 465 A HA -0.380 3.939 4.320 -0.002 0.000 0.274 465 A C 1.476 179.023 177.584 -0.062 0.000 1.393 465 A CA 2.174 54.180 52.037 -0.052 0.000 0.909 465 A CB -1.049 17.805 19.000 -0.243 0.000 1.012 465 A HN 0.284 nan 8.150 nan 0.000 0.653 466 K N -1.798 118.506 120.400 -0.160 0.000 2.152 466 K HA -0.049 4.270 4.320 -0.002 0.000 0.206 466 K C 0.303 176.449 176.600 -0.757 0.000 1.048 466 K CA 1.664 57.699 56.287 -0.419 0.000 0.933 466 K CB -0.249 31.992 32.500 -0.432 0.000 0.721 466 K HN 0.786 nan 8.250 nan 0.000 0.447 467 Y N -1.067 119.182 120.300 -0.085 0.000 2.609 467 Y HA 0.367 4.916 4.550 -0.002 0.000 0.342 467 Y C -0.515 175.354 175.900 -0.051 0.000 1.058 467 Y CA -1.796 56.265 58.100 -0.066 0.000 1.055 467 Y CB 1.611 40.046 38.460 -0.042 0.000 1.292 467 Y HN -0.011 nan 8.280 nan 0.000 0.476 468 Y N -1.259 119.022 120.300 -0.031 0.000 2.513 468 Y HA 0.488 5.037 4.550 -0.002 0.000 0.340 468 Y C -1.097 174.823 175.900 0.034 0.000 1.055 468 Y CA -1.688 56.258 58.100 -0.256 0.000 1.020 468 Y CB 1.434 39.227 38.460 -1.111 0.000 1.301 468 Y HN 0.603 nan 8.280 nan 0.000 0.453 469 Q N 3.662 123.579 119.800 0.195 0.000 2.322 469 Q HA 0.465 4.803 4.340 -0.002 0.000 0.256 469 Q C -1.505 174.555 176.000 0.101 0.000 0.960 469 Q CA -0.505 55.359 55.803 0.102 0.000 0.934 469 Q CB 0.874 29.638 28.738 0.043 0.000 1.200 469 Q HN 0.947 nan 8.270 nan 0.000 0.435 470 L N 4.234 125.527 121.223 0.117 0.000 2.326 470 L HA 0.419 4.758 4.340 -0.002 0.000 0.278 470 L C 0.010 176.941 176.870 0.102 0.000 1.092 470 L CA -0.253 54.659 54.840 0.120 0.000 0.810 470 L CB 0.956 43.053 42.059 0.064 0.000 1.153 470 L HN 0.577 nan 8.230 nan 0.000 0.439 471 R N 3.336 123.883 120.500 0.079 0.000 2.435 471 R HA 0.381 4.719 4.340 -0.002 0.000 0.308 471 R C -1.233 174.931 176.300 -0.227 0.000 0.975 471 R CA -0.455 55.521 56.100 -0.207 0.000 0.867 471 R CB 1.187 31.455 30.300 -0.053 0.000 1.171 471 R HN 0.646 nan 8.270 nan 0.000 0.470 472 c N 3.741 122.061 118.600 -0.466 0.000 2.347 472 c HA 0.457 5.026 4.570 -0.002 0.000 0.353 472 c C 0.727 174.586 174.090 -0.385 0.000 1.273 472 c CA -0.303 55.671 56.329 -0.591 0.000 1.861 472 c CB 0.577 42.684 42.510 -0.672 0.000 2.420 472 c HN 1.023 nan 8.230 nan 0.000 0.542 473 S N 3.241 118.821 115.700 -0.200 0.000 2.535 473 S HA 0.484 4.953 4.470 -0.002 0.000 0.214 473 S C 0.663 175.228 174.600 -0.058 0.000 0.980 473 S CA 0.416 58.563 58.200 -0.088 0.000 0.907 473 S CB 0.305 63.481 63.200 -0.039 0.000 0.790 473 S HN 1.360 nan 8.310 nan 0.000 0.510 474 G N 1.557 110.303 108.800 -0.089 0.000 2.320 474 G HA2 0.279 4.237 3.960 -0.002 0.000 0.297 474 G HA3 0.279 4.237 3.960 -0.002 0.000 0.297 474 G C -2.983 171.891 174.900 -0.043 0.000 1.344 474 G CA -0.642 44.434 45.100 -0.040 0.000 0.851 474 G HN -0.176 nan 8.290 nan 0.000 0.567 475 P HA 0.139 nan 4.420 nan 0.000 0.233 475 P C 1.271 178.537 177.300 -0.056 0.000 1.167 475 P CA 1.342 64.450 63.100 0.013 0.000 0.770 475 P CB 0.315 32.026 31.700 0.017 0.000 0.837 476 G N 0.342 109.048 108.800 -0.157 0.000 2.535 476 G HA2 0.422 4.381 3.960 -0.002 0.000 0.282 476 G HA3 0.422 4.381 3.960 -0.002 0.000 0.282 476 G C -0.272 174.351 174.900 -0.460 0.000 1.350 476 G CA -0.744 44.164 45.100 -0.320 0.000 1.039 476 G HN 0.039 nan 8.290 nan 0.000 0.509 477 L N 0.863 121.761 121.223 -0.542 0.000 2.483 477 L HA 0.169 4.508 4.340 -0.002 0.000 0.276 477 L C -1.924 174.839 176.870 -0.178 0.000 1.213 477 L CA -1.265 53.311 54.840 -0.440 0.000 0.843 477 L CB 0.419 42.296 42.059 -0.303 0.000 1.107 477 L HN 0.231 nan 8.230 nan 0.000 0.487 478 P HA 0.046 nan 4.420 nan 0.000 0.265 478 P C -0.774 176.492 177.300 -0.057 0.000 1.193 478 P CA 0.249 63.306 63.100 -0.071 0.000 0.765 478 P CB 0.536 32.311 31.700 0.124 0.000 0.823 479 L N 4.092 125.169 121.223 -0.245 0.000 2.342 479 L HA 0.514 4.852 4.340 -0.002 0.000 0.271 479 L C -1.134 175.543 176.870 -0.321 0.000 1.008 479 L CA -0.863 53.900 54.840 -0.129 0.000 0.818 479 L CB 1.437 43.426 42.059 -0.118 0.000 1.296 479 L HN 0.385 nan 8.230 nan 0.000 0.427 480 Y N 0.807 121.074 120.300 -0.055 0.000 2.331 480 Y HA 0.415 4.964 4.550 -0.002 0.000 0.326 480 Y C 0.070 175.875 175.900 -0.159 0.000 1.020 480 Y CA -0.718 57.326 58.100 -0.094 0.000 1.136 480 Y CB 2.274 40.653 38.460 -0.136 0.000 1.157 480 Y HN 0.490 nan 8.280 nan 0.000 0.444 481 T N 1.543 116.098 114.554 0.001 0.000 2.900 481 T HA 0.670 5.019 4.350 -0.002 0.000 0.295 481 T C -1.315 173.319 174.700 -0.110 0.000 1.044 481 T CA -0.846 61.205 62.100 -0.082 0.000 0.995 481 T CB 1.700 70.575 68.868 0.011 0.000 1.072 481 T HN 0.534 nan 8.240 nan 0.000 0.473 482 L N 2.218 123.272 121.223 -0.281 0.000 2.317 482 L HA 0.623 4.962 4.340 -0.002 0.000 0.281 482 L C -0.829 175.748 176.870 -0.490 0.000 1.024 482 L CA -0.694 54.010 54.840 -0.226 0.000 0.810 482 L CB 1.367 43.341 42.059 -0.141 0.000 1.240 482 L HN 0.900 nan 8.230 nan 0.000 0.427 483 H N 0.549 119.378 119.070 -0.402 0.000 2.894 483 H HA 0.455 5.010 4.556 -0.002 0.000 0.368 483 H C -0.698 174.416 175.328 -0.356 0.000 1.181 483 H CA -0.571 55.146 56.048 -0.550 0.000 1.146 483 H CB 2.066 31.147 29.762 -1.135 0.000 1.839 483 H HN 0.430 nan 8.280 nan 0.000 0.557 484 S N -0.064 115.598 115.700 -0.062 0.000 2.519 484 S HA 0.288 4.756 4.470 -0.002 0.000 0.309 484 S C 0.250 174.860 174.600 0.017 0.000 1.100 484 S CA -0.578 57.626 58.200 0.007 0.000 1.059 484 S CB 1.463 64.721 63.200 0.096 0.000 1.008 484 S HN 0.574 nan 8.310 nan 0.000 0.478 485 S N 3.260 118.965 115.700 0.008 0.000 2.383 485 S HA -0.085 4.384 4.470 -0.002 0.000 0.227 485 S C 1.990 176.615 174.600 0.043 0.000 1.026 485 S CA 1.136 59.413 58.200 0.129 0.000 0.981 485 S CB -0.590 62.650 63.200 0.067 0.000 0.818 485 S HN 0.649 nan 8.310 nan 0.000 0.472 486 V N 2.595 122.494 119.914 -0.025 0.000 2.233 486 V HA -0.329 3.790 4.120 -0.002 0.000 0.256 486 V C 1.184 177.286 176.094 0.015 0.000 1.069 486 V CA 2.384 64.682 62.300 -0.003 0.000 1.054 486 V CB -0.665 31.142 31.823 -0.026 0.000 0.664 486 V HN 0.589 nan 8.190 nan 0.000 0.453 487 N N -1.815 116.893 118.700 0.013 0.000 2.194 487 N HA 0.138 4.877 4.740 -0.002 0.000 0.231 487 N C -0.487 175.034 175.510 0.020 0.000 1.247 487 N CA 0.117 53.175 53.050 0.013 0.000 0.884 487 N CB 0.746 39.241 38.487 0.013 0.000 1.146 487 N HN 0.347 nan 8.380 nan 0.000 0.516 488 D N 1.084 121.513 120.400 0.050 0.000 2.811 488 D HA -0.203 4.436 4.640 -0.002 0.000 0.231 488 D C -0.018 176.328 176.300 0.077 0.000 1.157 488 D CA 1.135 55.191 54.000 0.094 0.000 0.716 488 D CB -0.592 40.244 40.800 0.060 0.000 1.077 488 D HN 0.444 nan 8.370 nan 0.000 0.428 489 K N 0.445 120.871 120.400 0.044 0.000 2.326 489 K HA 0.316 4.634 4.320 -0.002 0.000 0.275 489 K C 0.754 177.340 176.600 -0.024 0.000 1.018 489 K CA 0.187 56.483 56.287 0.014 0.000 0.962 489 K CB 0.708 33.207 32.500 -0.003 0.000 0.953 489 K HN 0.104 nan 8.250 nan 0.000 0.475 490 G N 4.340 113.090 108.800 -0.083 0.000 2.546 490 G HA2 0.199 4.158 3.960 -0.002 0.000 0.320 490 G HA3 0.199 4.158 3.960 -0.002 0.000 0.320 490 G C 0.749 175.489 174.900 -0.268 0.000 0.984 490 G CA -0.431 44.481 45.100 -0.314 0.000 1.183 490 G HN 0.671 nan 8.290 nan 0.000 0.443 491 L N 1.380 122.432 121.223 -0.285 0.000 2.046 491 L HA 0.083 4.422 4.340 -0.002 0.000 0.208 491 L C 1.726 178.505 176.870 -0.152 0.000 1.077 491 L CA 1.265 56.007 54.840 -0.164 0.000 0.747 491 L CB -0.250 41.737 42.059 -0.120 0.000 0.896 491 L HN 0.730 nan 8.230 nan 0.000 0.432 492 R N -2.634 117.741 120.500 -0.208 0.000 2.833 492 R HA 0.334 4.673 4.340 -0.002 0.000 0.259 492 R C -1.595 174.592 176.300 -0.187 0.000 1.047 492 R CA -0.902 55.106 56.100 -0.153 0.000 0.916 492 R CB 0.823 31.065 30.300 -0.096 0.000 1.259 492 R HN -0.295 nan 8.270 nan 0.000 0.482 493 V N 3.939 123.772 119.914 -0.135 0.000 2.470 493 V HA 0.074 4.192 4.120 -0.002 0.000 0.276 493 V C 1.336 177.335 176.094 -0.158 0.000 1.040 493 V CA -0.019 62.207 62.300 -0.124 0.000 1.008 493 V CB 0.855 32.636 31.823 -0.069 0.000 0.990 493 V HN 0.658 nan 8.190 nan 0.000 0.477 494 L N 3.161 124.231 121.223 -0.254 0.000 2.202 494 L HA 0.260 4.599 4.340 -0.002 0.000 0.205 494 L C 0.758 177.435 176.870 -0.323 0.000 1.083 494 L CA 0.726 55.270 54.840 -0.492 0.000 0.790 494 L CB 0.159 41.587 42.059 -1.052 0.000 0.942 494 L HN 0.710 nan 8.230 nan 0.000 0.452 495 E N -0.286 119.845 120.200 -0.116 0.000 2.397 495 E HA 0.064 4.413 4.350 -0.002 0.000 0.293 495 E C -1.087 175.590 176.600 0.130 0.000 0.930 495 E CA -0.298 56.122 56.400 0.033 0.000 0.793 495 E CB 1.065 30.781 29.700 0.027 0.000 1.259 495 E HN 0.162 nan 8.360 nan 0.000 0.406 496 D N 3.760 124.212 120.400 0.087 0.000 2.469 496 D HA 0.074 4.713 4.640 -0.002 0.000 0.215 496 D C -0.402 175.938 176.300 0.066 0.000 1.154 496 D CA -0.231 53.810 54.000 0.068 0.000 0.832 496 D CB -0.020 40.795 40.800 0.025 0.000 1.008 496 D HN 0.485 nan 8.370 nan 0.000 0.506 497 N N 0.949 119.704 118.700 0.093 0.000 2.735 497 N HA -0.184 4.554 4.740 -0.002 0.000 0.248 497 N C 1.029 176.573 175.510 0.056 0.000 1.083 497 N CA 0.920 54.023 53.050 0.087 0.000 0.703 497 N CB -1.388 37.163 38.487 0.107 0.000 1.005 497 N HN 0.469 nan 8.380 nan 0.000 0.550 498 S N -1.094 114.635 115.700 0.049 0.000 2.387 498 S HA 0.026 4.495 4.470 -0.002 0.000 0.226 498 S C 2.141 176.770 174.600 0.048 0.000 1.026 498 S CA 0.823 59.045 58.200 0.035 0.000 0.972 498 S CB -0.174 63.045 63.200 0.031 0.000 0.814 498 S HN 0.507 nan 8.310 nan 0.000 0.477 499 A N 2.325 125.182 122.820 0.061 0.000 1.892 499 A HA -0.000 4.318 4.320 -0.002 0.000 0.218 499 A C 2.252 179.894 177.584 0.097 0.000 1.188 499 A CA 1.559 53.640 52.037 0.073 0.000 0.631 499 A CB -0.950 18.093 19.000 0.072 0.000 0.822 499 A HN 0.511 nan 8.150 nan 0.000 0.447 500 L N -0.691 120.598 121.223 0.110 0.000 2.027 500 L HA -0.195 4.144 4.340 -0.002 0.000 0.206 500 L C 2.348 179.279 176.870 0.102 0.000 1.074 500 L CA 2.480 57.407 54.840 0.145 0.000 0.745 500 L CB -0.613 41.540 42.059 0.156 0.000 0.898 500 L HN 0.477 nan 8.230 nan 0.000 0.433 501 D N 0.373 120.803 120.400 0.049 0.000 2.126 501 D HA -0.286 4.352 4.640 -0.002 0.000 0.190 501 D C 2.120 178.435 176.300 0.026 0.000 1.001 501 D CA 2.249 56.254 54.000 0.008 0.000 0.841 501 D CB 0.057 40.848 40.800 -0.015 0.000 0.949 501 D HN 0.448 nan 8.370 nan 0.000 0.446 502 K N -0.186 120.240 120.400 0.044 0.000 2.057 502 K HA -0.155 4.163 4.320 -0.002 0.000 0.207 502 K C 2.332 178.981 176.600 0.082 0.000 1.049 502 K CA 1.556 57.875 56.287 0.053 0.000 0.931 502 K CB -0.481 32.050 32.500 0.052 0.000 0.714 502 K HN 0.197 nan 8.250 nan 0.000 0.440 503 M N 0.945 120.621 119.600 0.126 0.000 2.073 503 M HA -0.149 4.330 4.480 -0.002 0.000 0.258 503 M C 2.285 178.674 176.300 0.149 0.000 1.070 503 M CA 1.789 57.213 55.300 0.206 0.000 1.103 503 M CB -0.561 32.258 32.600 0.364 0.000 1.321 503 M HN 0.136 nan 8.290 nan 0.000 0.405 504 L N -0.372 120.888 121.223 0.061 0.000 2.275 504 L HA -0.204 4.134 4.340 -0.002 0.000 0.215 504 L C 2.380 179.241 176.870 -0.016 0.000 1.119 504 L CA 0.920 55.731 54.840 -0.048 0.000 0.790 504 L CB -0.583 41.443 42.059 -0.054 0.000 0.919 504 L HN 0.398 nan 8.230 nan 0.000 0.443 505 Q N -0.281 119.527 119.800 0.014 0.000 2.234 505 Q HA -0.200 4.139 4.340 -0.002 0.000 0.206 505 Q C 1.580 177.599 176.000 0.031 0.000 0.980 505 Q CA 1.202 57.014 55.803 0.015 0.000 0.869 505 Q CB -0.037 28.714 28.738 0.022 0.000 0.912 505 Q HN 0.318 nan 8.270 nan 0.000 0.436 506 N N -0.639 118.092 118.700 0.052 0.000 2.270 506 N HA 0.055 4.794 4.740 -0.002 0.000 0.198 506 N C -1.159 174.396 175.510 0.076 0.000 1.117 506 N CA 0.070 53.163 53.050 0.073 0.000 0.845 506 N CB 0.765 39.310 38.487 0.097 0.000 0.980 506 N HN -0.097 nan 8.380 nan 0.000 0.486 507 V N 0.985 120.919 119.914 0.034 0.000 2.547 507 V HA 0.278 4.396 4.120 -0.002 0.000 0.299 507 V C 0.518 176.628 176.094 0.026 0.000 1.040 507 V CA -0.806 61.513 62.300 0.031 0.000 0.913 507 V CB 2.026 33.818 31.823 -0.051 0.000 0.992 507 V HN 0.013 nan 8.190 nan 0.000 0.449 508 Q N 3.622 123.455 119.800 0.055 0.000 2.815 508 Q HA 0.205 4.543 4.340 -0.002 0.000 0.235 508 Q C -0.244 175.751 176.000 -0.009 0.000 1.354 508 Q CA -0.210 55.608 55.803 0.025 0.000 0.953 508 Q CB 0.120 28.913 28.738 0.092 0.000 1.613 508 Q HN 0.526 nan 8.270 nan 0.000 0.572 509 M N 3.178 122.752 119.600 -0.044 0.000 2.243 509 M HA 0.234 4.713 4.480 -0.002 0.000 0.341 509 M C -1.950 174.301 176.300 -0.081 0.000 1.130 509 M CA -2.040 53.225 55.300 -0.058 0.000 1.162 509 M CB -0.015 32.551 32.600 -0.057 0.000 1.497 509 M HN 0.281 nan 8.290 nan 0.000 0.456 510 P HA 0.233 nan 4.420 nan 0.000 0.276 510 P C -0.896 176.347 177.300 -0.094 0.000 1.261 510 P CA -0.415 62.626 63.100 -0.099 0.000 0.800 510 P CB 0.612 32.243 31.700 -0.115 0.000 1.066 511 S N -0.775 114.857 115.700 -0.114 0.000 2.568 511 S HA 0.498 4.967 4.470 -0.002 0.000 0.302 511 S C -0.522 174.008 174.600 -0.116 0.000 1.082 511 S CA -0.871 57.267 58.200 -0.104 0.000 1.009 511 S CB 1.707 64.834 63.200 -0.122 0.000 1.069 511 S HN 0.402 nan 8.310 nan 0.000 0.500 512 K N 1.425 121.781 120.400 -0.074 0.000 2.240 512 K HA 0.297 4.615 4.320 -0.002 0.000 0.271 512 K C -0.974 175.588 176.600 -0.063 0.000 1.018 512 K CA -0.539 55.712 56.287 -0.059 0.000 0.874 512 K CB 0.810 33.302 32.500 -0.014 0.000 1.098 512 K HN 0.549 nan 8.250 nan 0.000 0.458 513 K N 5.382 125.737 120.400 -0.074 0.000 2.240 513 K HA 0.278 4.597 4.320 -0.002 0.000 0.271 513 K C -1.011 175.584 176.600 -0.008 0.000 1.018 513 K CA -0.518 55.733 56.287 -0.059 0.000 0.874 513 K CB 0.873 33.317 32.500 -0.093 0.000 1.098 513 K HN 0.631 nan 8.250 nan 0.000 0.458 514 L N 4.959 126.183 121.223 0.002 0.000 2.294 514 L HA 0.319 4.657 4.340 -0.002 0.000 0.283 514 L C -0.315 176.551 176.870 -0.006 0.000 1.015 514 L CA -0.047 54.820 54.840 0.044 0.000 0.831 514 L CB 0.838 42.982 42.059 0.141 0.000 1.217 514 L HN 0.754 nan 8.230 nan 0.000 0.420 515 D N 3.138 123.336 120.400 -0.335 0.000 3.402 515 D HA 0.529 5.168 4.640 -0.002 0.000 0.287 515 D C -1.506 174.408 176.300 -0.644 0.000 1.365 515 D CA 0.016 53.719 54.000 -0.495 0.000 1.012 515 D CB 2.418 42.873 40.800 -0.576 0.000 1.325 515 D HN 0.246 nan 8.370 nan 0.000 0.627 516 F N -0.135 119.414 119.950 -0.667 0.000 2.770 516 F HA 0.579 5.104 4.527 -0.002 0.000 0.313 516 F C -1.565 174.296 175.800 0.102 0.000 1.154 516 F CA -1.069 56.684 58.000 -0.413 0.000 0.923 516 F CB 0.511 38.795 39.000 -1.193 0.000 1.301 516 F HN 0.246 nan 8.300 nan 0.000 0.449 517 I N -0.422 120.426 120.570 0.463 0.000 3.042 517 I HA 0.768 4.936 4.170 -0.002 0.000 0.310 517 I C -1.497 174.883 176.117 0.438 0.000 1.117 517 I CA -1.421 60.092 61.300 0.355 0.000 1.003 517 I CB 2.510 40.698 38.000 0.313 0.000 1.228 517 I HN 0.622 nan 8.210 nan 0.000 0.443 518 I N 3.009 123.764 120.570 0.308 0.000 2.330 518 I HA 0.325 4.494 4.170 -0.002 0.000 0.289 518 I C 0.502 176.781 176.117 0.269 0.000 1.001 518 I CA -0.253 61.218 61.300 0.286 0.000 1.193 518 I CB 1.665 39.776 38.000 0.186 0.000 1.345 518 I HN 0.624 nan 8.210 nan 0.000 0.461 519 L N 4.507 125.974 121.223 0.406 0.000 2.189 519 L HA 0.097 4.436 4.340 -0.002 0.000 0.199 519 L C 1.449 178.427 176.870 0.180 0.000 1.074 519 L CA 0.892 55.888 54.840 0.260 0.000 0.783 519 L CB -0.088 42.085 42.059 0.190 0.000 0.955 519 L HN 0.611 nan 8.230 nan 0.000 0.460 520 N N -0.087 118.752 118.700 0.232 0.000 2.219 520 N HA 0.010 4.748 4.740 -0.002 0.000 0.238 520 N C 0.307 175.873 175.510 0.095 0.000 1.061 520 N CA 0.597 53.719 53.050 0.120 0.000 1.162 520 N CB 0.231 38.776 38.487 0.096 0.000 1.518 520 N HN 0.018 nan 8.380 nan 0.000 0.609 521 E N -0.571 119.672 120.200 0.071 0.000 3.157 521 E HA 0.322 4.670 4.350 -0.002 0.000 0.203 521 E C -1.126 175.479 176.600 0.007 0.000 0.982 521 E CA -0.076 56.349 56.400 0.042 0.000 1.217 521 E CB 0.789 30.503 29.700 0.023 0.000 1.123 521 E HN 0.158 nan 8.360 nan 0.000 0.457 522 T N 0.612 115.171 114.554 0.009 0.000 2.841 522 T HA 0.305 4.654 4.350 -0.002 0.000 0.283 522 T C -0.305 174.245 174.700 -0.251 0.000 1.000 522 T CA -0.794 61.190 62.100 -0.193 0.000 0.977 522 T CB 1.611 70.260 68.868 -0.364 0.000 0.979 522 T HN -0.065 nan 8.240 nan 0.000 0.446 523 K N 2.651 122.858 120.400 -0.322 0.000 2.312 523 K HA 0.385 4.704 4.320 -0.002 0.000 0.287 523 K C -1.068 175.302 176.600 -0.382 0.000 1.062 523 K CA -0.022 56.113 56.287 -0.255 0.000 0.934 523 K CB 0.452 32.718 32.500 -0.389 0.000 1.027 523 K HN 0.446 nan 8.250 nan 0.000 0.478 524 F N 1.938 121.985 119.950 0.162 0.000 2.507 524 F HA 0.322 4.847 4.527 -0.002 0.000 0.325 524 F C -0.405 175.502 175.800 0.179 0.000 1.116 524 F CA -0.968 57.127 58.000 0.159 0.000 0.930 524 F CB 1.032 40.095 39.000 0.106 0.000 1.146 524 F HN 0.403 nan 8.300 nan 0.000 0.447 525 W N 3.711 125.102 121.300 0.152 0.000 2.417 525 W HA 0.517 5.176 4.660 -0.002 0.000 0.317 525 W C -0.427 176.199 176.519 0.178 0.000 1.121 525 W CA -0.885 56.567 57.345 0.178 0.000 1.208 525 W CB 0.651 30.171 29.460 0.099 0.000 1.253 525 W HN 0.485 nan 8.180 nan 0.000 0.533 526 Y N -0.038 120.562 120.300 0.499 0.000 2.686 526 Y HA 0.789 5.337 4.550 -0.002 0.000 0.330 526 Y C -0.600 175.523 175.900 0.372 0.000 1.082 526 Y CA -1.778 56.620 58.100 0.497 0.000 1.158 526 Y CB 1.199 40.111 38.460 0.752 0.000 1.333 526 Y HN 0.493 nan 8.280 nan 0.000 0.519 527 Q N 1.188 121.312 119.800 0.541 0.000 2.377 527 Q HA 0.647 4.985 4.340 -0.002 0.000 0.279 527 Q C -2.186 173.988 176.000 0.291 0.000 1.049 527 Q CA -0.987 54.992 55.803 0.293 0.000 0.825 527 Q CB 2.773 31.629 28.738 0.197 0.000 1.401 527 Q HN 0.946 nan 8.270 nan 0.000 0.404 528 M N 2.860 122.549 119.600 0.148 0.000 2.326 528 M HA 0.451 4.930 4.480 -0.002 0.000 0.292 528 M C -1.578 174.700 176.300 -0.036 0.000 1.081 528 M CA -0.600 54.718 55.300 0.031 0.000 0.919 528 M CB 2.273 34.865 32.600 -0.013 0.000 1.634 528 M HN 0.717 nan 8.290 nan 0.000 0.451 529 I N 4.495 125.035 120.570 -0.050 0.000 2.312 529 I HA 0.338 4.507 4.170 -0.002 0.000 0.291 529 I C -0.898 175.137 176.117 -0.137 0.000 1.031 529 I CA 0.179 61.424 61.300 -0.091 0.000 1.293 529 I CB 0.603 38.554 38.000 -0.082 0.000 1.403 529 I HN 0.506 nan 8.210 nan 0.000 0.484 530 L N 8.704 129.812 121.223 -0.192 0.000 2.329 530 L HA 0.534 4.872 4.340 -0.002 0.000 0.279 530 L C -2.287 174.483 176.870 -0.167 0.000 1.014 530 L CA -2.051 52.627 54.840 -0.270 0.000 0.814 530 L CB 1.452 43.182 42.059 -0.549 0.000 1.257 530 L HN 0.286 nan 8.230 nan 0.000 0.424 531 P HA 0.024 nan 4.420 nan 0.000 0.266 531 P C -2.356 174.947 177.300 0.006 0.000 1.195 531 P CA -0.636 62.450 63.100 -0.024 0.000 0.768 531 P CB -0.144 31.569 31.700 0.022 0.000 0.838 532 P HA -0.066 nan 4.420 nan 0.000 0.270 532 P C -0.328 176.939 177.300 -0.055 0.000 1.227 532 P CA 0.267 63.286 63.100 -0.135 0.000 0.788 532 P CB -0.113 31.474 31.700 -0.188 0.000 0.926 533 H N -2.922 116.189 119.070 0.069 0.000 2.594 533 H HA -0.226 4.329 4.556 -0.002 0.000 0.316 533 H C 0.073 175.460 175.328 0.097 0.000 1.107 533 H CA 0.035 56.125 56.048 0.070 0.000 1.133 533 H CB -2.532 27.261 29.762 0.052 0.000 1.459 533 H HN 0.313 nan 8.280 nan 0.000 0.411 534 F N 2.035 121.976 119.950 -0.014 0.000 2.623 534 F HA 0.079 4.605 4.527 -0.002 0.000 0.383 534 F C 0.594 176.400 175.800 0.011 0.000 1.077 534 F CA -0.088 57.863 58.000 -0.082 0.000 1.268 534 F CB 0.504 39.357 39.000 -0.245 0.000 1.053 534 F HN 0.273 nan 8.300 nan 0.000 0.571 535 D N 5.845 125.874 120.400 -0.618 0.000 2.438 535 D HA 0.118 4.757 4.640 -0.002 0.000 0.257 535 D C 0.572 176.521 176.300 -0.584 0.000 1.148 535 D CA -0.637 53.122 54.000 -0.403 0.000 0.902 535 D CB 0.814 41.537 40.800 -0.128 0.000 1.062 535 D HN 0.650 nan 8.370 nan 0.000 0.518 536 K N 0.843 120.919 120.400 -0.540 0.000 2.589 536 K HA -0.136 4.183 4.320 -0.002 0.000 0.195 536 K C 0.956 177.544 176.600 -0.019 0.000 1.042 536 K CA 1.236 57.365 56.287 -0.263 0.000 0.940 536 K CB -0.108 32.401 32.500 0.014 0.000 0.776 536 K HN 0.147 nan 8.250 nan 0.000 0.487 537 S N -0.726 114.939 115.700 -0.058 0.000 2.593 537 S HA 0.214 4.683 4.470 -0.002 0.000 0.236 537 S C -0.078 174.496 174.600 -0.043 0.000 0.991 537 S CA -0.860 57.334 58.200 -0.010 0.000 0.963 537 S CB 0.222 63.412 63.200 -0.017 0.000 0.865 537 S HN 0.099 nan 8.310 nan 0.000 0.488 538 K N 1.543 121.896 120.400 -0.077 0.000 2.185 538 K HA 0.470 4.788 4.320 -0.002 0.000 0.240 538 K C -0.708 175.804 176.600 -0.147 0.000 0.983 538 K CA -0.537 55.629 56.287 -0.202 0.000 0.873 538 K CB 1.352 33.594 32.500 -0.430 0.000 1.118 538 K HN 0.225 nan 8.250 nan 0.000 0.441 539 K N 2.294 122.547 120.400 -0.245 0.000 2.367 539 K HA 0.286 4.605 4.320 -0.002 0.000 0.263 539 K C -0.970 175.515 176.600 -0.192 0.000 1.000 539 K CA -0.504 55.719 56.287 -0.106 0.000 0.891 539 K CB 0.791 33.240 32.500 -0.085 0.000 1.117 539 K HN 0.387 nan 8.250 nan 0.000 0.443 540 Y N 2.984 123.278 120.300 -0.009 0.000 2.342 540 Y HA 0.227 4.775 4.550 -0.002 0.000 0.334 540 Y C -1.926 173.894 175.900 -0.134 0.000 1.067 540 Y CA -2.592 55.489 58.100 -0.032 0.000 1.128 540 Y CB 0.855 39.372 38.460 0.095 0.000 1.200 540 Y HN 0.472 nan 8.280 nan 0.000 0.464 541 P HA 0.023 nan 4.420 nan 0.000 0.266 541 P C -0.881 176.258 177.300 -0.268 0.000 1.195 541 P CA 0.095 62.892 63.100 -0.505 0.000 0.768 541 P CB 1.166 32.295 31.700 -0.951 0.000 0.838 542 L N 3.710 124.801 121.223 -0.221 0.000 2.349 542 L HA 0.432 4.770 4.340 -0.002 0.000 0.278 542 L C -0.579 176.458 176.870 0.277 0.000 0.996 542 L CA -0.937 53.928 54.840 0.041 0.000 0.825 542 L CB 1.204 43.287 42.059 0.040 0.000 1.243 542 L HN 0.260 nan 8.230 nan 0.000 0.412 543 L N 6.540 127.937 121.223 0.291 0.000 2.265 543 L HA 0.378 4.716 4.340 -0.002 0.000 0.289 543 L C -0.999 176.070 176.870 0.332 0.000 1.033 543 L CA -0.487 54.572 54.840 0.366 0.000 0.814 543 L CB 1.482 43.704 42.059 0.273 0.000 1.203 543 L HN 0.636 nan 8.230 nan 0.000 0.423 544 L N 5.453 126.912 121.223 0.393 0.000 2.278 544 L HA 0.221 4.560 4.340 -0.002 0.000 0.287 544 L C -0.398 176.703 176.870 0.386 0.000 1.072 544 L CA -0.085 54.980 54.840 0.376 0.000 0.819 544 L CB 1.085 43.399 42.059 0.424 0.000 1.176 544 L HN 0.623 nan 8.230 nan 0.000 0.435 545 D N 4.941 125.562 120.400 0.368 0.000 2.479 545 D HA 0.205 4.844 4.640 -0.002 0.000 0.218 545 D C -0.485 175.907 176.300 0.152 0.000 1.131 545 D CA -0.252 53.933 54.000 0.308 0.000 0.916 545 D CB 0.892 41.950 40.800 0.431 0.000 1.022 545 D HN 0.119 nan 8.370 nan 0.000 0.515 546 V N 4.390 124.335 119.914 0.052 0.000 2.644 546 V HA 0.216 4.334 4.120 -0.002 0.000 0.295 546 V C 0.274 176.470 176.094 0.170 0.000 1.053 546 V CA -0.465 61.914 62.300 0.132 0.000 0.987 546 V CB 1.340 33.225 31.823 0.103 0.000 1.006 546 V HN 0.507 nan 8.190 nan 0.000 0.472 547 Y N 3.041 123.415 120.300 0.123 0.000 3.224 547 Y HA 0.550 5.098 4.550 -0.002 0.000 0.184 547 Y C 1.459 177.502 175.900 0.238 0.000 0.891 547 Y CA 0.743 58.943 58.100 0.167 0.000 1.736 547 Y CB -0.151 38.390 38.460 0.135 0.000 1.411 547 Y HN 0.730 nan 8.280 nan 0.000 0.402 548 A N 0.853 123.767 122.820 0.158 0.000 2.996 548 A HA -0.051 4.268 4.320 -0.002 0.000 0.257 548 A C 0.650 178.067 177.584 -0.278 0.000 1.394 548 A CA 0.820 52.896 52.037 0.065 0.000 0.820 548 A CB -2.295 16.809 19.000 0.173 0.000 1.054 548 A HN 1.013 nan 8.150 nan 0.000 0.619 549 G N -1.005 107.370 108.800 -0.709 0.000 2.557 549 G HA2 0.604 4.562 3.960 -0.002 0.000 0.292 549 G HA3 0.604 4.562 3.960 -0.002 0.000 0.292 549 G C -2.591 171.970 174.900 -0.565 0.000 1.237 549 G CA -1.288 42.961 45.100 -1.417 0.000 0.978 549 G HN 0.285 nan 8.290 nan 0.000 0.498 550 P HA 0.176 nan 4.420 nan 0.000 0.271 550 P C 0.322 177.478 177.300 -0.240 0.000 1.226 550 P CA 0.015 62.839 63.100 -0.460 0.000 0.765 550 P CB 0.909 31.931 31.700 -1.130 0.000 0.835 551 C N 2.599 121.825 119.300 -0.123 0.000 4.529 551 C HA -0.119 4.340 4.460 -0.002 0.000 0.296 551 C C 0.688 175.736 174.990 0.097 0.000 1.353 551 C CA 1.092 60.013 59.018 -0.160 0.000 2.011 551 C CB -2.775 24.717 27.740 -0.413 0.000 1.235 551 C HN 0.770 nan 8.230 nan 0.000 0.784 552 S N 0.016 115.821 115.700 0.175 0.000 2.690 552 S HA 0.722 5.190 4.470 -0.002 0.000 0.291 552 S C -0.753 174.039 174.600 0.319 0.000 1.138 552 S CA -0.176 58.227 58.200 0.338 0.000 1.013 552 S CB 1.888 65.350 63.200 0.437 0.000 1.053 552 S HN 0.848 nan 8.310 nan 0.000 0.539 553 Q N 0.227 120.229 119.800 0.338 0.000 2.350 553 Q HA 0.391 4.730 4.340 -0.002 0.000 0.255 553 Q C -0.695 175.429 176.000 0.206 0.000 0.951 553 Q CA -0.666 55.306 55.803 0.280 0.000 0.751 553 Q CB 1.053 29.986 28.738 0.324 0.000 1.296 553 Q HN 0.635 nan 8.270 nan 0.000 0.453 554 K N 1.357 121.880 120.400 0.205 0.000 2.354 554 K HA 0.308 4.626 4.320 -0.002 0.000 0.194 554 K C -0.191 176.514 176.600 0.175 0.000 1.038 554 K CA 0.407 56.806 56.287 0.187 0.000 1.052 554 K CB 1.359 34.000 32.500 0.235 0.000 0.861 554 K HN 0.520 nan 8.250 nan 0.000 0.535 555 A N 2.983 125.913 122.820 0.183 0.000 2.412 555 A HA 0.371 4.690 4.320 -0.002 0.000 0.334 555 A C -0.743 176.909 177.584 0.114 0.000 1.419 555 A CA -0.548 51.601 52.037 0.186 0.000 0.930 555 A CB -0.071 19.091 19.000 0.271 0.000 1.149 555 A HN 0.225 nan 8.150 nan 0.000 0.515 556 D N -0.134 120.309 120.400 0.072 0.000 2.732 556 D HA 0.447 5.085 4.640 -0.002 0.000 0.292 556 D C 0.454 176.764 176.300 0.017 0.000 1.135 556 D CA 0.212 54.235 54.000 0.038 0.000 1.071 556 D CB 0.271 41.086 40.800 0.025 0.000 1.457 556 D HN 0.115 nan 8.370 nan 0.000 0.547 557 T N -2.226 112.347 114.554 0.031 0.000 3.244 557 T HA 0.323 4.672 4.350 -0.002 0.000 0.254 557 T C 0.444 175.089 174.700 -0.091 0.000 1.024 557 T CA -0.452 61.661 62.100 0.022 0.000 0.920 557 T CB -0.778 68.154 68.868 0.106 0.000 1.042 557 T HN 0.255 nan 8.240 nan 0.000 0.572 558 V N 2.389 122.133 119.914 -0.283 0.000 2.686 558 V HA 0.339 4.458 4.120 -0.002 0.000 0.295 558 V C 0.084 176.120 176.094 -0.098 0.000 1.055 558 V CA -0.978 61.115 62.300 -0.345 0.000 1.050 558 V CB 0.259 31.757 31.823 -0.542 0.000 0.984 558 V HN 0.549 nan 8.190 nan 0.000 0.482 559 F N 6.234 126.081 119.950 -0.171 0.000 2.424 559 F HA 0.570 5.095 4.527 -0.002 0.000 0.356 559 F C 0.456 176.200 175.800 -0.093 0.000 1.110 559 F CA -0.414 57.517 58.000 -0.115 0.000 1.161 559 F CB 0.290 39.233 39.000 -0.094 0.000 1.115 559 F HN 0.440 nan 8.300 nan 0.000 0.507 560 R N 6.789 126.788 120.500 -0.834 0.000 2.686 560 R HA 0.582 4.921 4.340 -0.002 0.000 0.283 560 R C -1.661 174.165 176.300 -0.790 0.000 0.978 560 R CA -1.130 54.580 56.100 -0.650 0.000 0.897 560 R CB 2.165 32.280 30.300 -0.307 0.000 1.192 560 R HN 0.640 nan 8.270 nan 0.000 0.457 561 L N 3.758 124.688 121.223 -0.488 0.000 2.295 561 L HA 0.421 4.760 4.340 -0.002 0.000 0.281 561 L C -0.487 176.355 176.870 -0.047 0.000 1.018 561 L CA -0.597 54.051 54.840 -0.320 0.000 0.841 561 L CB 0.688 42.675 42.059 -0.120 0.000 1.218 561 L HN 0.811 nan 8.230 nan 0.000 0.424 562 N N 0.765 119.380 118.700 -0.141 0.000 3.526 562 N HA 0.121 4.860 4.740 -0.002 0.000 0.328 562 N C 0.025 175.237 175.510 -0.496 0.000 1.601 562 N CA -0.834 52.029 53.050 -0.312 0.000 0.834 562 N CB 0.196 38.580 38.487 -0.171 0.000 1.983 562 N HN 0.319 nan 8.380 nan 0.000 0.579 563 W N 0.730 121.482 121.300 -0.913 0.000 2.379 563 W HA 0.303 4.962 4.660 -0.002 0.000 0.307 563 W C 2.135 178.598 176.519 -0.093 0.000 1.200 563 W CA 2.960 59.965 57.345 -0.567 0.000 1.297 563 W CB -1.091 28.105 29.460 -0.441 0.000 1.140 563 W HN 0.716 nan 8.180 nan 0.000 0.507 564 A N -0.226 122.529 122.820 -0.109 0.000 1.978 564 A HA -0.229 4.090 4.320 -0.002 0.000 0.220 564 A C 1.914 179.380 177.584 -0.197 0.000 1.170 564 A CA 2.597 54.510 52.037 -0.207 0.000 0.636 564 A CB -1.303 17.670 19.000 -0.046 0.000 0.810 564 A HN 0.330 nan 8.150 nan 0.000 0.448 565 T N -1.206 113.247 114.554 -0.168 0.000 2.684 565 T HA -0.222 4.126 4.350 -0.002 0.000 0.267 565 T C 1.804 176.518 174.700 0.024 0.000 1.036 565 T CA 1.766 63.727 62.100 -0.232 0.000 1.148 565 T CB -0.514 67.999 68.868 -0.591 0.000 0.863 565 T HN 0.708 nan 8.240 nan 0.000 0.436 566 Y N 2.109 122.538 120.300 0.215 0.000 2.114 566 Y HA -0.030 4.519 4.550 -0.002 0.000 0.284 566 Y C 2.042 177.965 175.900 0.038 0.000 1.143 566 Y CA 0.917 59.201 58.100 0.306 0.000 1.135 566 Y CB -0.825 37.806 38.460 0.284 0.000 0.980 566 Y HN 0.092 nan 8.280 nan 0.000 0.499 567 L N 0.238 120.982 121.223 -0.799 0.000 2.081 567 L HA -0.294 4.045 4.340 -0.002 0.000 0.212 567 L C 2.754 179.362 176.870 -0.437 0.000 1.080 567 L CA 1.469 55.806 54.840 -0.837 0.000 0.754 567 L CB -0.967 40.658 42.059 -0.722 0.000 0.893 567 L HN 0.498 nan 8.230 nan 0.000 0.433 568 A N -1.273 121.381 122.820 -0.275 0.000 1.861 568 A HA -0.162 4.157 4.320 -0.002 0.000 0.212 568 A C 2.499 180.030 177.584 -0.088 0.000 1.199 568 A CA 1.566 53.514 52.037 -0.149 0.000 0.613 568 A CB -0.560 18.361 19.000 -0.131 0.000 0.846 568 A HN 0.364 nan 8.150 nan 0.000 0.446 569 S N -1.076 114.591 115.700 -0.055 0.000 2.345 569 S HA -0.114 4.355 4.470 -0.002 0.000 0.219 569 S C 2.015 176.646 174.600 0.051 0.000 1.031 569 S CA 2.230 60.449 58.200 0.030 0.000 0.984 569 S CB -0.572 62.697 63.200 0.115 0.000 0.874 569 S HN 0.504 nan 8.310 nan 0.000 0.451 570 T N 1.320 115.889 114.554 0.024 0.000 2.937 570 T HA 0.154 4.503 4.350 -0.002 0.000 0.260 570 T C 1.403 176.093 174.700 -0.016 0.000 1.051 570 T CA 0.888 63.022 62.100 0.056 0.000 1.141 570 T CB -0.140 68.866 68.868 0.231 0.000 0.879 570 T HN 0.322 nan 8.240 nan 0.000 0.459 571 E N 1.083 121.187 120.200 -0.161 0.000 2.481 571 E HA 0.164 4.512 4.350 -0.002 0.000 0.198 571 E C 0.238 176.833 176.600 -0.009 0.000 1.027 571 E CA -0.091 56.256 56.400 -0.089 0.000 0.900 571 E CB -0.070 29.525 29.700 -0.175 0.000 0.993 571 E HN 0.387 nan 8.360 nan 0.000 0.482 572 N N 0.877 119.583 118.700 0.011 0.000 2.721 572 N HA -0.227 4.512 4.740 -0.002 0.000 0.249 572 N C -0.360 175.235 175.510 0.141 0.000 1.072 572 N CA 0.644 53.764 53.050 0.116 0.000 0.710 572 N CB -1.646 36.960 38.487 0.198 0.000 0.993 572 N HN 0.277 nan 8.380 nan 0.000 0.547 573 I N 0.997 121.583 120.570 0.027 0.000 2.396 573 I HA 0.271 4.440 4.170 -0.002 0.000 0.292 573 I C 1.117 177.235 176.117 0.001 0.000 0.999 573 I CA -0.574 60.745 61.300 0.031 0.000 1.310 573 I CB 1.053 39.066 38.000 0.021 0.000 1.404 573 I HN -0.026 nan 8.210 nan 0.000 0.496 574 I N 6.453 127.040 120.570 0.028 0.000 2.396 574 I HA 0.149 4.318 4.170 -0.002 0.000 0.289 574 I C -0.423 175.693 176.117 -0.001 0.000 1.056 574 I CA -0.346 60.949 61.300 -0.009 0.000 1.365 574 I CB 0.855 38.870 38.000 0.025 0.000 1.407 574 I HN 0.199 nan 8.210 nan 0.000 0.509 575 V N 6.508 126.410 119.914 -0.021 0.000 2.398 575 V HA 0.648 4.767 4.120 -0.002 0.000 0.286 575 V C 0.289 176.406 176.094 0.038 0.000 1.026 575 V CA -0.529 61.792 62.300 0.034 0.000 0.868 575 V CB 1.291 33.133 31.823 0.032 0.000 0.982 575 V HN 0.820 nan 8.190 nan 0.000 0.443 576 A N 3.848 126.709 122.820 0.069 0.000 2.342 576 A HA 0.875 5.194 4.320 -0.002 0.000 0.323 576 A C -0.151 177.565 177.584 0.219 0.000 1.125 576 A CA -0.459 51.603 52.037 0.042 0.000 0.785 576 A CB 1.466 20.314 19.000 -0.255 0.000 1.221 576 A HN 0.718 nan 8.150 nan 0.000 0.463 577 S N 0.546 116.420 115.700 0.290 0.000 2.568 577 S HA 0.809 5.278 4.470 -0.002 0.000 0.302 577 S C -1.150 173.774 174.600 0.539 0.000 1.082 577 S CA -0.349 58.073 58.200 0.370 0.000 1.009 577 S CB 1.285 64.658 63.200 0.288 0.000 1.069 577 S HN 0.749 nan 8.310 nan 0.000 0.500 578 F N 1.424 121.595 119.950 0.369 0.000 2.581 578 F HA 0.443 4.969 4.527 -0.002 0.000 0.311 578 F C -1.663 174.341 175.800 0.341 0.000 1.113 578 F CA -0.694 57.556 58.000 0.417 0.000 0.935 578 F CB 1.552 40.802 39.000 0.416 0.000 1.232 578 F HN 0.382 nan 8.300 nan 0.000 0.445 579 D N 4.561 124.730 120.400 -0.385 0.000 2.467 579 D HA 0.366 5.005 4.640 -0.002 0.000 0.220 579 D C 0.390 176.450 176.300 -0.400 0.000 1.103 579 D CA 0.140 54.016 54.000 -0.207 0.000 0.886 579 D CB 1.375 42.196 40.800 0.036 0.000 1.025 579 D HN 0.760 nan 8.370 nan 0.000 0.514 580 G N 1.277 110.003 108.800 -0.125 0.000 2.773 580 G HA2 0.272 4.231 3.960 -0.002 0.000 0.186 580 G HA3 0.272 4.231 3.960 -0.002 0.000 0.186 580 G C 0.234 175.248 174.900 0.189 0.000 1.411 580 G CA -0.656 44.463 45.100 0.031 0.000 1.054 580 G HN 0.280 nan 8.290 nan 0.000 0.579 581 R N -0.882 119.702 120.500 0.141 0.000 2.734 581 R HA 0.368 4.706 4.340 -0.002 0.000 0.266 581 R C 1.370 177.785 176.300 0.192 0.000 1.044 581 R CA 1.389 57.626 56.100 0.228 0.000 1.128 581 R CB 0.382 30.808 30.300 0.210 0.000 1.010 581 R HN 1.035 nan 8.270 nan 0.000 0.461 582 G N 0.682 109.582 108.800 0.167 0.000 2.267 582 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.257 582 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.257 582 G C 0.234 175.161 174.900 0.046 0.000 0.998 582 G CA 0.423 45.587 45.100 0.106 0.000 0.620 582 G HN 0.757 nan 8.290 nan 0.000 0.529 583 S N 0.196 115.943 115.700 0.079 0.000 2.617 583 S HA 0.651 5.120 4.470 -0.002 0.000 0.259 583 S C 0.825 175.418 174.600 -0.011 0.000 1.301 583 S CA 0.556 58.796 58.200 0.067 0.000 0.984 583 S CB 1.651 64.927 63.200 0.126 0.000 0.954 583 S HN 1.727 nan 8.310 nan 0.000 0.572 584 G N -1.373 107.402 108.800 -0.042 0.000 2.667 584 G HA2 0.520 4.479 3.960 -0.002 0.000 0.310 584 G HA3 0.520 4.479 3.960 -0.002 0.000 0.310 584 G C -1.044 173.771 174.900 -0.141 0.000 1.259 584 G CA -1.010 43.904 45.100 -0.310 0.000 1.019 584 G HN 0.995 nan 8.290 nan 0.000 0.496 585 Y N -2.452 117.843 120.300 -0.007 0.000 4.668 585 Y HA -0.215 4.334 4.550 -0.002 0.000 0.234 585 Y C 1.283 177.188 175.900 0.007 0.000 1.056 585 Y CA 1.010 59.113 58.100 0.005 0.000 2.025 585 Y CB -2.133 36.346 38.460 0.032 0.000 1.613 585 Y HN 0.504 nan 8.280 nan 0.000 0.653 586 Q N 0.193 120.018 119.800 0.042 0.000 2.115 586 Q HA 0.509 4.848 4.340 -0.002 0.000 0.249 586 Q C 1.061 176.985 176.000 -0.126 0.000 0.830 586 Q CA 0.248 56.085 55.803 0.057 0.000 1.104 586 Q CB 1.336 30.096 28.738 0.037 0.000 1.207 586 Q HN 0.597 nan 8.270 nan 0.000 0.464 587 G N 0.728 109.359 108.800 -0.281 0.000 2.828 587 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.463 587 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.463 587 G C -0.229 174.309 174.900 -0.603 0.000 1.394 587 G CA -0.261 44.419 45.100 -0.701 0.000 0.862 587 G HN 0.244 nan 8.290 nan 0.000 0.540 588 D N -0.168 119.831 120.400 -0.668 0.000 2.234 588 D HA -0.002 4.637 4.640 -0.002 0.000 0.205 588 D C 2.242 178.306 176.300 -0.394 0.000 0.962 588 D CA 1.386 55.003 54.000 -0.638 0.000 0.855 588 D CB -0.034 40.417 40.800 -0.583 0.000 0.951 588 D HN 0.554 nan 8.370 nan 0.000 0.500 589 K N 1.043 121.254 120.400 -0.314 0.000 2.044 589 K HA -0.126 4.193 4.320 -0.002 0.000 0.210 589 K C 1.908 178.457 176.600 -0.085 0.000 1.049 589 K CA 1.183 57.379 56.287 -0.152 0.000 0.927 589 K CB -0.412 32.011 32.500 -0.128 0.000 0.713 589 K HN 0.092 nan 8.250 nan 0.000 0.443 590 I N 0.133 120.636 120.570 -0.112 0.000 2.193 590 I HA -0.205 3.964 4.170 -0.002 0.000 0.240 590 I C 2.691 178.793 176.117 -0.024 0.000 1.084 590 I CA 1.463 62.758 61.300 -0.008 0.000 1.365 590 I CB -0.201 37.804 38.000 0.007 0.000 1.064 590 I HN 0.312 nan 8.210 nan 0.000 0.410 591 M N -0.104 119.389 119.600 -0.179 0.000 2.159 591 M HA -0.230 4.249 4.480 -0.002 0.000 0.263 591 M C 1.803 178.071 176.300 -0.053 0.000 1.063 591 M CA 1.809 56.994 55.300 -0.192 0.000 1.110 591 M CB -0.172 32.168 32.600 -0.434 0.000 1.374 591 M HN 0.261 nan 8.290 nan 0.000 0.411 592 H N -0.674 118.302 119.070 -0.157 0.000 2.539 592 H HA 0.300 4.855 4.556 -0.002 0.000 0.269 592 H C 1.730 177.091 175.328 0.054 0.000 0.980 592 H CA 0.646 56.623 56.048 -0.118 0.000 1.152 592 H CB -0.301 29.316 29.762 -0.242 0.000 1.407 592 H HN 0.450 nan 8.280 nan 0.000 0.564 593 A N 0.333 123.281 122.820 0.213 0.000 2.067 593 A HA -0.077 4.242 4.320 -0.002 0.000 0.219 593 A C 1.901 179.693 177.584 0.346 0.000 1.158 593 A CA 0.932 53.144 52.037 0.293 0.000 0.661 593 A CB -0.198 18.977 19.000 0.291 0.000 0.801 593 A HN 0.200 nan 8.150 nan 0.000 0.452 594 I N -0.393 120.326 120.570 0.249 0.000 3.860 594 I HA 0.081 4.250 4.170 -0.002 0.000 0.319 594 I C 0.633 176.786 176.117 0.060 0.000 1.279 594 I CA -0.846 60.528 61.300 0.123 0.000 1.220 594 I CB -0.923 37.155 38.000 0.129 0.000 1.027 594 I HN 0.342 nan 8.210 nan 0.000 0.428 595 N N 1.977 120.782 118.700 0.175 0.000 2.294 595 N HA -0.150 4.589 4.740 -0.002 0.000 0.263 595 N C 0.520 176.026 175.510 -0.007 0.000 1.281 595 N CA 0.562 53.712 53.050 0.166 0.000 0.846 595 N CB 0.101 38.691 38.487 0.172 0.000 1.061 595 N HN 0.165 nan 8.380 nan 0.000 0.478 596 R N 0.716 121.191 120.500 -0.042 0.000 3.946 596 R HA -0.236 4.102 4.340 -0.002 0.000 0.329 596 R C 0.195 176.335 176.300 -0.267 0.000 1.209 596 R CA 0.979 57.012 56.100 -0.112 0.000 0.909 596 R CB -1.401 28.854 30.300 -0.076 0.000 1.355 596 R HN 0.687 nan 8.270 nan 0.000 0.539 597 R N 0.438 120.768 120.500 -0.285 0.000 2.527 597 R HA 0.223 4.561 4.340 -0.002 0.000 0.402 597 R C -0.039 176.172 176.300 -0.148 0.000 0.933 597 R CA -0.293 55.480 56.100 -0.546 0.000 1.171 597 R CB 0.592 30.578 30.300 -0.524 0.000 1.612 597 R HN 0.049 nan 8.270 nan 0.000 0.546 598 L N 0.691 121.929 121.223 0.025 0.000 2.628 598 L HA -0.086 4.253 4.340 -0.002 0.000 0.292 598 L C 1.285 178.428 176.870 0.454 0.000 1.250 598 L CA 1.608 56.559 54.840 0.186 0.000 0.892 598 L CB 0.054 42.061 42.059 -0.086 0.000 1.138 598 L HN 0.537 nan 8.230 nan 0.000 0.502 599 G N 1.365 110.420 108.800 0.426 0.000 2.147 599 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.244 599 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.244 599 G C 0.492 175.493 174.900 0.168 0.000 1.005 599 G CA 0.570 45.829 45.100 0.266 0.000 0.713 599 G HN 0.842 nan 8.290 nan 0.000 0.515 600 T N -3.212 111.416 114.554 0.124 0.000 3.166 600 T HA 0.463 4.812 4.350 -0.002 0.000 0.182 600 T C 1.687 176.472 174.700 0.141 0.000 0.810 600 T CA 0.849 62.967 62.100 0.030 0.000 1.441 600 T CB -0.122 68.599 68.868 -0.244 0.000 2.201 600 T HN 0.078 nan 8.240 nan 0.000 0.414 601 F N 3.522 123.510 119.950 0.065 0.000 2.120 601 F HA -0.036 4.489 4.527 -0.002 0.000 0.300 601 F C 2.811 178.644 175.800 0.055 0.000 1.095 601 F CA 1.327 59.356 58.000 0.048 0.000 1.249 601 F CB -0.903 38.127 39.000 0.051 0.000 0.995 601 F HN 0.552 nan 8.300 nan 0.000 0.480 602 E N 0.788 121.155 120.200 0.278 0.000 2.106 602 E HA -0.123 4.226 4.350 -0.002 0.000 0.192 602 E C 2.123 178.824 176.600 0.167 0.000 0.984 602 E CA 1.568 58.096 56.400 0.214 0.000 0.806 602 E CB -1.062 28.766 29.700 0.214 0.000 0.750 602 E HN 0.282 nan 8.360 nan 0.000 0.458 603 V N 1.661 121.653 119.914 0.130 0.000 2.307 603 V HA -0.208 3.910 4.120 -0.002 0.000 0.245 603 V C 2.537 178.672 176.094 0.068 0.000 1.045 603 V CA 2.070 64.404 62.300 0.057 0.000 1.024 603 V CB -0.725 31.090 31.823 -0.014 0.000 0.651 603 V HN 0.210 nan 8.190 nan 0.000 0.449 604 E N 0.068 120.326 120.200 0.097 0.000 2.097 604 E HA -0.287 4.061 4.350 -0.002 0.000 0.196 604 E C 1.922 178.532 176.600 0.017 0.000 1.000 604 E CA 1.819 58.260 56.400 0.069 0.000 0.804 604 E CB -0.108 29.661 29.700 0.115 0.000 0.740 604 E HN 0.604 nan 8.360 nan 0.000 0.454 605 D N -0.307 120.111 120.400 0.031 0.000 2.123 605 D HA -0.129 4.509 4.640 -0.002 0.000 0.200 605 D C 2.000 178.239 176.300 -0.102 0.000 0.976 605 D CA 0.641 54.619 54.000 -0.037 0.000 0.831 605 D CB -0.118 40.710 40.800 0.046 0.000 0.974 605 D HN 0.088 nan 8.370 nan 0.000 0.469 606 Q N 0.155 119.982 119.800 0.044 0.000 2.133 606 Q HA -0.163 4.176 4.340 -0.002 0.000 0.208 606 Q C 2.495 178.500 176.000 0.008 0.000 0.991 606 Q CA 0.925 56.758 55.803 0.049 0.000 0.867 606 Q CB -0.347 28.471 28.738 0.133 0.000 0.911 606 Q HN 0.442 nan 8.270 nan 0.000 0.417 607 I N 0.540 121.132 120.570 0.037 0.000 2.163 607 I HA -0.224 3.945 4.170 -0.002 0.000 0.240 607 I C 2.421 178.446 176.117 -0.154 0.000 1.081 607 I CA 0.960 62.294 61.300 0.058 0.000 1.353 607 I CB -0.283 37.764 38.000 0.078 0.000 1.054 607 I HN 0.097 nan 8.210 nan 0.000 0.407 608 E N 1.445 121.522 120.200 -0.204 0.000 2.130 608 E HA -0.235 4.113 4.350 -0.002 0.000 0.196 608 E C 2.070 178.389 176.600 -0.468 0.000 0.998 608 E CA 1.771 58.002 56.400 -0.281 0.000 0.806 608 E CB -0.206 29.347 29.700 -0.246 0.000 0.738 608 E HN 0.469 nan 8.360 nan 0.000 0.459 609 A N 0.285 122.706 122.820 -0.666 0.000 1.929 609 A HA 0.097 4.416 4.320 -0.002 0.000 0.216 609 A C 2.382 179.215 177.584 -1.250 0.000 1.176 609 A CA 1.753 53.098 52.037 -1.154 0.000 0.628 609 A CB -0.635 17.374 19.000 -1.652 0.000 0.816 609 A HN 0.319 nan 8.150 nan 0.000 0.444 610 A N -0.300 122.162 122.820 -0.597 0.000 1.898 610 A HA -0.102 4.217 4.320 -0.002 0.000 0.216 610 A C 2.224 179.580 177.584 -0.380 0.000 1.181 610 A CA 1.293 53.154 52.037 -0.294 0.000 0.620 610 A CB -0.483 18.442 19.000 -0.125 0.000 0.819 610 A HN 0.473 nan 8.150 nan 0.000 0.442 611 R N -0.530 119.737 120.500 -0.389 0.000 2.103 611 R HA -0.174 4.165 4.340 -0.002 0.000 0.242 611 R C 2.355 178.463 176.300 -0.321 0.000 1.142 611 R CA 1.726 57.639 56.100 -0.313 0.000 0.960 611 R CB -0.297 29.846 30.300 -0.262 0.000 0.858 611 R HN 0.614 nan 8.270 nan 0.000 0.439 612 Q N -0.613 118.910 119.800 -0.463 0.000 2.167 612 Q HA -0.134 4.204 4.340 -0.002 0.000 0.202 612 Q C 1.963 177.768 176.000 -0.325 0.000 0.970 612 Q CA 1.181 56.733 55.803 -0.418 0.000 0.855 612 Q CB -0.097 28.327 28.738 -0.524 0.000 0.911 612 Q HN 0.309 nan 8.270 nan 0.000 0.438 613 F N 0.965 120.752 119.950 -0.272 0.000 2.206 613 F HA -0.072 4.454 4.527 -0.002 0.000 0.298 613 F C 2.563 178.185 175.800 -0.297 0.000 1.090 613 F CA 0.444 58.264 58.000 -0.301 0.000 1.323 613 F CB -1.067 37.779 39.000 -0.257 0.000 1.028 613 F HN -0.078 nan 8.300 nan 0.000 0.492 614 S N 0.621 116.268 115.700 -0.089 0.000 2.389 614 S HA -0.298 4.170 4.470 -0.002 0.000 0.229 614 S C 2.028 176.545 174.600 -0.139 0.000 1.048 614 S CA 1.877 59.999 58.200 -0.129 0.000 1.117 614 S CB -0.485 62.625 63.200 -0.150 0.000 1.020 614 S HN 0.342 nan 8.310 nan 0.000 0.430 615 K N 0.624 120.944 120.400 -0.132 0.000 2.049 615 K HA -0.162 4.156 4.320 -0.002 0.000 0.219 615 K C 0.637 177.171 176.600 -0.110 0.000 1.056 615 K CA 1.135 57.358 56.287 -0.107 0.000 0.946 615 K CB -0.527 31.915 32.500 -0.096 0.000 0.723 615 K HN 0.420 nan 8.250 nan 0.000 0.453 616 M N 1.007 120.515 119.600 -0.154 0.000 2.290 616 M HA -0.035 4.443 4.480 -0.002 0.000 0.356 616 M C 1.064 177.206 176.300 -0.264 0.000 1.448 616 M CA 0.270 55.450 55.300 -0.201 0.000 0.993 616 M CB 0.391 32.770 32.600 -0.368 0.000 1.934 616 M HN 0.196 nan 8.290 nan 0.000 0.461 617 G N 3.358 112.140 108.800 -0.029 0.000 3.340 617 G HA2 0.193 4.152 3.960 -0.002 0.000 0.240 617 G HA3 0.193 4.152 3.960 -0.002 0.000 0.240 617 G C 0.294 175.283 174.900 0.149 0.000 1.327 617 G CA -0.188 44.932 45.100 0.034 0.000 1.170 617 G HN 0.885 nan 8.290 nan 0.000 0.520 618 F N -2.458 117.553 119.950 0.102 0.000 2.817 618 F HA 0.595 5.121 4.527 -0.002 0.000 0.319 618 F C -0.577 175.342 175.800 0.199 0.000 1.136 618 F CA -1.098 57.004 58.000 0.169 0.000 1.177 618 F CB 0.422 39.583 39.000 0.269 0.000 1.088 618 F HN -0.136 nan 8.300 nan 0.000 0.520 619 V N 1.663 121.486 119.914 -0.152 0.000 2.483 619 V HA 0.262 4.381 4.120 -0.002 0.000 0.297 619 V C -1.011 175.027 176.094 -0.093 0.000 1.027 619 V CA -0.612 61.614 62.300 -0.123 0.000 0.855 619 V CB 1.627 33.293 31.823 -0.260 0.000 0.995 619 V HN 0.145 nan 8.190 nan 0.000 0.424 620 D N 3.846 124.200 120.400 -0.077 0.000 2.336 620 D HA 0.093 4.732 4.640 -0.002 0.000 0.249 620 D C 1.326 177.563 176.300 -0.104 0.000 1.213 620 D CA -0.026 53.914 54.000 -0.100 0.000 0.870 620 D CB 0.669 41.392 40.800 -0.129 0.000 1.076 620 D HN 0.695 nan 8.370 nan 0.000 0.483 621 N N 2.826 121.473 118.700 -0.089 0.000 2.521 621 N HA -0.103 4.636 4.740 -0.002 0.000 0.188 621 N C 0.529 176.001 175.510 -0.062 0.000 1.146 621 N CA 0.073 53.071 53.050 -0.086 0.000 0.893 621 N CB 0.236 38.664 38.487 -0.098 0.000 0.975 621 N HN 0.274 nan 8.380 nan 0.000 0.451 622 K N 0.495 120.865 120.400 -0.050 0.000 2.432 622 K HA 0.097 4.416 4.320 -0.002 0.000 0.196 622 K C 0.605 177.219 176.600 0.024 0.000 1.038 622 K CA 0.536 56.813 56.287 -0.016 0.000 0.986 622 K CB 0.258 32.748 32.500 -0.017 0.000 0.782 622 K HN 0.122 nan 8.250 nan 0.000 0.485 623 R N 1.260 121.745 120.500 -0.026 0.000 2.782 623 R HA 0.326 4.664 4.340 -0.002 0.000 0.293 623 R C -0.936 175.341 176.300 -0.038 0.000 1.333 623 R CA -0.125 55.950 56.100 -0.041 0.000 1.479 623 R CB 0.499 30.578 30.300 -0.367 0.000 1.306 623 R HN 0.054 nan 8.270 nan 0.000 0.654 624 I N 0.976 121.665 120.570 0.197 0.000 2.377 624 I HA 0.568 4.736 4.170 -0.002 0.000 0.293 624 I C 0.150 176.614 176.117 0.578 0.000 0.987 624 I CA -0.770 60.719 61.300 0.315 0.000 1.185 624 I CB 1.805 39.872 38.000 0.112 0.000 1.341 624 I HN 0.212 nan 8.210 nan 0.000 0.455 625 A N 7.049 130.268 122.820 0.664 0.000 2.430 625 A HA 0.880 5.199 4.320 -0.002 0.000 0.300 625 A C -1.163 176.682 177.584 0.436 0.000 1.124 625 A CA -0.621 51.718 52.037 0.502 0.000 0.766 625 A CB 2.123 21.266 19.000 0.238 0.000 1.328 625 A HN 0.743 nan 8.150 nan 0.000 0.424 626 I N 1.213 121.935 120.570 0.253 0.000 2.647 626 I HA 0.736 4.905 4.170 -0.002 0.000 0.295 626 I C -1.567 174.767 176.117 0.362 0.000 1.078 626 I CA -0.647 60.752 61.300 0.165 0.000 1.048 626 I CB 1.538 39.346 38.000 -0.321 0.000 1.239 626 I HN 0.900 nan 8.210 nan 0.000 0.421 627 W N 7.144 128.548 121.300 0.174 0.000 3.083 627 W HA 0.862 5.521 4.660 -0.002 0.000 0.333 627 W C -1.465 175.202 176.519 0.247 0.000 1.217 627 W CA -1.108 56.368 57.345 0.220 0.000 1.170 627 W CB 1.131 30.780 29.460 0.315 0.000 1.437 627 W HN 0.802 nan 8.180 nan 0.000 0.557 628 G N 0.720 109.422 108.800 -0.163 0.000 2.547 628 G HA2 0.418 4.377 3.960 -0.002 0.000 0.291 628 G HA3 0.418 4.377 3.960 -0.002 0.000 0.291 628 G C -2.807 172.031 174.900 -0.103 0.000 1.471 628 G CA -0.762 44.092 45.100 -0.410 0.000 0.798 628 G HN 0.598 nan 8.290 nan 0.000 0.504 629 W N 1.082 122.248 121.300 -0.223 0.000 2.666 629 W HA 0.615 5.274 4.660 -0.002 0.000 0.334 629 W C 0.917 177.505 176.519 0.116 0.000 1.051 629 W CA 0.419 57.734 57.345 -0.050 0.000 1.224 629 W CB 1.933 31.346 29.460 -0.078 0.000 1.405 629 W HN 1.359 nan 8.180 nan 0.000 0.513 630 S N 2.715 118.733 115.700 0.530 0.000 4.139 630 S HA -0.435 4.033 4.470 -0.002 0.000 0.603 630 S C 1.197 175.972 174.600 0.292 0.000 1.897 630 S CA 1.884 60.392 58.200 0.513 0.000 4.241 630 S CB -1.858 61.793 63.200 0.752 0.000 0.221 630 S HN 0.701 nan 8.310 nan 0.000 0.488 631 Y N 2.341 122.737 120.300 0.160 0.000 2.207 631 Y HA 0.038 4.586 4.550 -0.002 0.000 0.287 631 Y C 2.468 178.343 175.900 -0.042 0.000 1.156 631 Y CA 2.657 60.727 58.100 -0.049 0.000 1.182 631 Y CB -1.024 37.173 38.460 -0.438 0.000 0.979 631 Y HN 0.548 nan 8.280 nan 0.000 0.521 632 G N -1.326 107.578 108.800 0.173 0.000 2.448 632 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.218 632 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.218 632 G C 1.904 176.855 174.900 0.084 0.000 1.135 632 G CA 0.625 45.811 45.100 0.144 0.000 0.784 632 G HN 0.568 nan 8.290 nan 0.000 0.543 633 G N 0.088 108.954 108.800 0.110 0.000 2.402 633 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.216 633 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.216 633 G C 1.603 176.555 174.900 0.086 0.000 1.162 633 G CA 1.100 46.246 45.100 0.077 0.000 0.777 633 G HN 0.389 nan 8.290 nan 0.000 0.539 634 Y N 1.502 121.736 120.300 -0.110 0.000 2.145 634 Y HA -0.139 4.410 4.550 -0.002 0.000 0.286 634 Y C 2.775 178.596 175.900 -0.132 0.000 1.145 634 Y CA 1.543 59.523 58.100 -0.200 0.000 1.148 634 Y CB -0.571 37.626 38.460 -0.438 0.000 0.981 634 Y HN 0.033 nan 8.280 nan 0.000 0.507 635 V N -0.344 119.408 119.914 -0.271 0.000 2.343 635 V HA -0.328 3.790 4.120 -0.002 0.000 0.247 635 V C 2.364 178.336 176.094 -0.204 0.000 1.051 635 V CA 2.381 64.508 62.300 -0.289 0.000 1.036 635 V CB -1.214 30.593 31.823 -0.026 0.000 0.654 635 V HN 0.479 nan 8.190 nan 0.000 0.451 636 T N 0.111 114.604 114.554 -0.101 0.000 2.652 636 T HA -0.206 4.143 4.350 -0.002 0.000 0.267 636 T C 2.144 176.779 174.700 -0.107 0.000 1.039 636 T CA 2.118 64.168 62.100 -0.084 0.000 1.153 636 T CB -0.287 68.606 68.868 0.042 0.000 0.863 636 T HN 0.579 nan 8.240 nan 0.000 0.428 637 S N 1.323 117.010 115.700 -0.022 0.000 2.359 637 S HA -0.082 4.387 4.470 -0.002 0.000 0.224 637 S C 2.165 176.693 174.600 -0.120 0.000 1.035 637 S CA 1.062 59.273 58.200 0.019 0.000 1.018 637 S CB -0.368 62.917 63.200 0.142 0.000 0.876 637 S HN 0.290 nan 8.310 nan 0.000 0.448 638 M N 1.146 120.618 119.600 -0.213 0.000 2.082 638 M HA -0.088 4.390 4.480 -0.002 0.000 0.258 638 M C 2.254 178.419 176.300 -0.225 0.000 1.069 638 M CA 1.220 56.370 55.300 -0.251 0.000 1.102 638 M CB -1.642 30.698 32.600 -0.433 0.000 1.336 638 M HN 0.184 nan 8.290 nan 0.000 0.404 639 V N 0.796 120.573 119.914 -0.228 0.000 2.214 639 V HA -0.311 3.807 4.120 -0.002 0.000 0.244 639 V C 2.620 178.560 176.094 -0.257 0.000 1.045 639 V CA 1.839 64.021 62.300 -0.197 0.000 0.993 639 V CB -0.912 30.750 31.823 -0.268 0.000 0.633 639 V HN 0.426 nan 8.190 nan 0.000 0.449 640 L N 0.358 121.354 121.223 -0.378 0.000 2.077 640 L HA -0.282 4.057 4.340 -0.002 0.000 0.231 640 L C 2.178 178.548 176.870 -0.833 0.000 1.100 640 L CA 2.133 56.639 54.840 -0.557 0.000 0.819 640 L CB -1.224 40.420 42.059 -0.692 0.000 0.913 640 L HN 0.594 nan 8.230 nan 0.000 0.446 641 G N -1.591 106.572 108.800 -1.061 0.000 3.234 641 G HA2 0.008 3.966 3.960 -0.002 0.000 0.221 641 G HA3 0.008 3.966 3.960 -0.002 0.000 0.221 641 G C 1.356 176.090 174.900 -0.275 0.000 1.229 641 G CA 0.636 45.293 45.100 -0.737 0.000 0.909 641 G HN 0.543 nan 8.290 nan 0.000 0.510 642 S N -1.051 114.520 115.700 -0.216 0.000 2.486 642 S HA 0.334 4.802 4.470 -0.002 0.000 0.220 642 S C 1.746 176.306 174.600 -0.067 0.000 1.011 642 S CA 0.901 59.041 58.200 -0.099 0.000 0.921 642 S CB 0.038 63.203 63.200 -0.059 0.000 0.785 642 S HN 1.383 nan 8.310 nan 0.000 0.517 643 G N 1.629 110.381 108.800 -0.081 0.000 2.225 643 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.264 643 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.264 643 G C 0.734 175.618 174.900 -0.026 0.000 1.060 643 G CA 0.695 45.766 45.100 -0.048 0.000 0.833 643 G HN 1.209 nan 8.290 nan 0.000 0.498 644 S N -1.248 114.445 115.700 -0.012 0.000 2.446 644 S HA 0.354 4.823 4.470 -0.002 0.000 0.225 644 S C 2.500 177.073 174.600 -0.046 0.000 1.016 644 S CA 1.501 59.689 58.200 -0.019 0.000 0.943 644 S CB 0.030 63.237 63.200 0.011 0.000 0.786 644 S HN 2.383 nan 8.310 nan 0.000 0.508 645 G N 0.476 109.258 108.800 -0.029 0.000 2.184 645 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.264 645 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.264 645 G C 0.848 175.686 174.900 -0.104 0.000 0.975 645 G CA 0.450 45.524 45.100 -0.043 0.000 0.642 645 G HN 0.699 nan 8.290 nan 0.000 0.536 646 V N -0.470 119.314 119.914 -0.215 0.000 2.427 646 V HA 0.148 4.266 4.120 -0.002 0.000 0.248 646 V C 1.335 177.103 176.094 -0.542 0.000 1.051 646 V CA 1.755 63.763 62.300 -0.487 0.000 1.048 646 V CB -0.467 30.883 31.823 -0.789 0.000 0.666 646 V HN 0.347 nan 8.190 nan 0.000 0.456 647 F N -0.325 119.636 119.950 0.018 0.000 2.443 647 F HA 0.401 4.927 4.527 -0.002 0.000 0.335 647 F C 1.113 176.953 175.800 0.066 0.000 1.104 647 F CA -0.564 57.472 58.000 0.060 0.000 1.013 647 F CB 1.479 40.515 39.000 0.059 0.000 1.136 647 F HN -0.276 nan 8.300 nan 0.000 0.470 648 K N 1.591 122.162 120.400 0.285 0.000 2.076 648 K HA 0.044 4.362 4.320 -0.002 0.000 0.204 648 K C 0.102 176.816 176.600 0.189 0.000 1.051 648 K CA 1.204 57.610 56.287 0.199 0.000 0.949 648 K CB 0.212 32.839 32.500 0.212 0.000 0.726 648 K HN 0.845 nan 8.250 nan 0.000 0.443 649 c N -3.845 114.892 118.600 0.228 0.000 3.272 649 c HA 0.876 5.444 4.570 -0.002 0.000 0.363 649 c C -0.397 173.862 174.090 0.282 0.000 1.514 649 c CA -0.447 56.028 56.329 0.243 0.000 1.185 649 c CB 0.994 43.585 42.510 0.135 0.000 1.716 649 c HN 0.394 nan 8.230 nan 0.000 0.440 650 G N -0.188 108.851 108.800 0.398 0.000 2.411 650 G HA2 0.598 4.557 3.960 -0.002 0.000 0.295 650 G HA3 0.598 4.557 3.960 -0.002 0.000 0.295 650 G C -2.051 173.110 174.900 0.436 0.000 1.542 650 G CA -0.624 44.703 45.100 0.378 0.000 0.814 650 G HN 1.019 nan 8.290 nan 0.000 0.557 651 I N 0.652 121.447 120.570 0.375 0.000 2.474 651 I HA 0.696 4.865 4.170 -0.002 0.000 0.294 651 I C 0.298 176.567 176.117 0.253 0.000 1.005 651 I CA -0.971 60.454 61.300 0.208 0.000 1.113 651 I CB 2.277 40.402 38.000 0.210 0.000 1.289 651 I HN 0.732 nan 8.210 nan 0.000 0.436 652 A N 6.049 128.916 122.820 0.078 0.000 2.353 652 A HA 0.764 5.082 4.320 -0.002 0.000 0.299 652 A C -0.970 176.543 177.584 -0.118 0.000 1.089 652 A CA -0.501 51.577 52.037 0.067 0.000 0.736 652 A CB 1.243 20.364 19.000 0.201 0.000 1.195 652 A HN 0.414 nan 8.150 nan 0.000 0.447 653 V N 1.901 121.678 119.914 -0.228 0.000 2.435 653 V HA 0.589 4.707 4.120 -0.002 0.000 0.290 653 V C 1.076 176.797 176.094 -0.622 0.000 1.030 653 V CA 0.236 62.182 62.300 -0.591 0.000 0.881 653 V CB 1.073 32.185 31.823 -1.185 0.000 0.983 653 V HN 2.124 nan 8.190 nan 0.000 0.445 654 A N 5.451 127.875 122.820 -0.660 0.000 2.311 654 A HA -0.114 4.205 4.320 -0.002 0.000 0.284 654 A C -1.792 175.691 177.584 -0.169 0.000 1.409 654 A CA 0.375 51.949 52.037 -0.771 0.000 0.764 654 A CB -1.558 17.119 19.000 -0.540 0.000 1.095 654 A HN 0.620 nan 8.150 nan 0.000 0.369 655 P HA 0.413 nan 4.420 nan 0.000 0.278 655 P C 0.225 177.505 177.300 -0.033 0.000 1.238 655 P CA -0.235 62.872 63.100 0.011 0.000 0.794 655 P CB 1.265 32.995 31.700 0.050 0.000 0.955 656 V N 2.210 122.004 119.914 -0.200 0.000 2.775 656 V HA 0.107 4.225 4.120 -0.002 0.000 0.299 656 V C 1.697 177.535 176.094 -0.428 0.000 1.062 656 V CA 1.005 63.001 62.300 -0.508 0.000 1.063 656 V CB 0.794 31.919 31.823 -1.163 0.000 0.994 656 V HN 0.856 nan 8.190 nan 0.000 0.483 657 S N 2.988 118.439 115.700 -0.415 0.000 2.631 657 S HA 0.300 4.769 4.470 -0.002 0.000 0.246 657 S C 0.450 174.816 174.600 -0.390 0.000 1.068 657 S CA -0.316 57.738 58.200 -0.243 0.000 0.995 657 S CB 0.334 63.490 63.200 -0.075 0.000 0.944 657 S HN 0.761 nan 8.310 nan 0.000 0.529 658 R N -0.765 119.356 120.500 -0.632 0.000 2.725 658 R HA 0.230 4.569 4.340 -0.002 0.000 0.276 658 R C -1.232 174.714 176.300 -0.591 0.000 1.189 658 R CA -0.560 55.156 56.100 -0.639 0.000 1.083 658 R CB -0.079 29.767 30.300 -0.757 0.000 1.262 658 R HN 0.245 nan 8.270 nan 0.000 0.415 659 W N 2.308 123.506 121.300 -0.171 0.000 2.425 659 W HA -0.039 4.620 4.660 -0.002 0.000 0.277 659 W C 1.342 177.990 176.519 0.215 0.000 1.231 659 W CA 0.776 58.128 57.345 0.011 0.000 1.248 659 W CB 0.341 29.752 29.460 -0.082 0.000 1.117 659 W HN 0.709 nan 8.180 nan 0.000 0.568 660 E N -0.836 119.554 120.200 0.316 0.000 2.267 660 E HA -0.223 4.126 4.350 -0.002 0.000 0.197 660 E C 1.333 178.064 176.600 0.218 0.000 0.998 660 E CA 1.091 57.593 56.400 0.170 0.000 0.830 660 E CB -0.335 29.359 29.700 -0.010 0.000 0.751 660 E HN 0.362 nan 8.360 nan 0.000 0.491 661 Y N -1.518 118.860 120.300 0.129 0.000 2.544 661 Y HA 0.066 4.615 4.550 -0.002 0.000 0.286 661 Y C 0.558 176.543 175.900 0.142 0.000 1.141 661 Y CA -0.220 57.926 58.100 0.076 0.000 1.299 661 Y CB -0.423 38.023 38.460 -0.022 0.000 1.030 661 Y HN 0.025 nan 8.280 nan 0.000 0.543 662 Y N 1.458 121.910 120.300 0.252 0.000 2.519 662 Y HA 0.347 4.896 4.550 -0.002 0.000 0.324 662 Y C 0.184 176.307 175.900 0.370 0.000 1.214 662 Y CA -2.402 55.860 58.100 0.270 0.000 1.260 662 Y CB 0.556 39.198 38.460 0.304 0.000 1.311 662 Y HN 0.164 nan 8.280 nan 0.000 0.505 663 D N -0.679 119.461 120.400 -0.434 0.000 2.371 663 D HA 0.136 4.775 4.640 -0.002 0.000 0.242 663 D C 0.774 177.036 176.300 -0.063 0.000 1.218 663 D CA 0.314 54.121 54.000 -0.321 0.000 0.945 663 D CB 0.878 41.225 40.800 -0.754 0.000 1.137 663 D HN 0.446 nan 8.370 nan 0.000 0.464 664 S N 0.040 115.722 115.700 -0.031 0.000 2.377 664 S HA -0.120 4.349 4.470 -0.002 0.000 0.223 664 S C 1.904 176.523 174.600 0.032 0.000 1.030 664 S CA 0.704 58.943 58.200 0.065 0.000 0.970 664 S CB -0.796 62.460 63.200 0.093 0.000 0.830 664 S HN 0.408 nan 8.310 nan 0.000 0.473 665 V N 0.866 120.736 119.914 -0.073 0.000 2.295 665 V HA -0.171 3.947 4.120 -0.002 0.000 0.246 665 V C 2.305 178.299 176.094 -0.167 0.000 1.049 665 V CA 2.176 64.336 62.300 -0.232 0.000 1.024 665 V CB -1.117 30.424 31.823 -0.470 0.000 0.648 665 V HN 0.575 nan 8.190 nan 0.000 0.447 666 Y N 1.304 121.519 120.300 -0.142 0.000 2.153 666 Y HA -0.212 4.337 4.550 -0.002 0.000 0.289 666 Y C 2.729 178.573 175.900 -0.094 0.000 1.127 666 Y CA 2.294 60.375 58.100 -0.032 0.000 1.131 666 Y CB -0.476 38.186 38.460 0.337 0.000 0.995 666 Y HN 0.201 nan 8.280 nan 0.000 0.505 667 T N 0.158 114.891 114.554 0.297 0.000 2.674 667 T HA -0.184 4.165 4.350 -0.002 0.000 0.265 667 T C 1.548 176.201 174.700 -0.079 0.000 1.039 667 T CA 1.907 64.131 62.100 0.206 0.000 1.150 667 T CB -0.293 68.834 68.868 0.432 0.000 0.864 667 T HN 0.383 nan 8.240 nan 0.000 0.427 668 E N 0.433 120.621 120.200 -0.021 0.000 2.268 668 E HA -0.042 4.307 4.350 -0.002 0.000 0.195 668 E C 2.276 178.745 176.600 -0.218 0.000 0.995 668 E CA 0.328 56.714 56.400 -0.023 0.000 0.836 668 E CB -0.073 29.662 29.700 0.057 0.000 0.763 668 E HN 0.284 nan 8.360 nan 0.000 0.491 669 R N -0.237 119.966 120.500 -0.495 0.000 2.120 669 R HA -0.171 4.167 4.340 -0.002 0.000 0.234 669 R C 0.956 176.642 176.300 -1.023 0.000 1.123 669 R CA 1.407 56.999 56.100 -0.846 0.000 0.975 669 R CB 0.092 29.601 30.300 -1.319 0.000 0.866 669 R HN 0.239 nan 8.270 nan 0.000 0.446 670 Y N -2.739 117.236 120.300 -0.541 0.000 2.483 670 Y HA 0.234 4.783 4.550 -0.002 0.000 0.258 670 Y C 1.501 177.204 175.900 -0.328 0.000 1.083 670 Y CA -0.069 57.701 58.100 -0.550 0.000 1.283 670 Y CB 0.539 38.565 38.460 -0.724 0.000 1.178 670 Y HN -0.044 nan 8.280 nan 0.000 0.515 671 M N -0.606 118.880 119.600 -0.189 0.000 2.304 671 M HA 0.379 4.858 4.480 -0.002 0.000 0.281 671 M C 1.122 177.435 176.300 0.021 0.000 1.014 671 M CA 0.675 55.864 55.300 -0.185 0.000 1.054 671 M CB -0.314 32.015 32.600 -0.451 0.000 1.551 671 M HN 0.295 nan 8.290 nan 0.000 0.548 672 G N 1.858 110.683 108.800 0.040 0.000 2.641 672 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.254 672 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.254 672 G C -0.423 174.609 174.900 0.221 0.000 1.315 672 G CA -0.581 44.582 45.100 0.106 0.000 0.907 672 G HN 0.370 nan 8.290 nan 0.000 0.572 673 L N 1.441 122.760 121.223 0.161 0.000 2.343 673 L HA 0.435 4.774 4.340 -0.002 0.000 0.275 673 L C -1.393 175.465 176.870 -0.020 0.000 1.056 673 L CA -1.845 53.041 54.840 0.076 0.000 0.804 673 L CB 2.109 44.181 42.059 0.022 0.000 1.203 673 L HN 0.393 nan 8.230 nan 0.000 0.440 674 P HA 0.032 nan 4.420 nan 0.000 0.253 674 P C -0.016 177.141 177.300 -0.238 0.000 1.508 674 P CA -0.076 62.632 63.100 -0.653 0.000 0.883 674 P CB -0.497 30.612 31.700 -0.984 0.000 1.519 675 T N -3.904 110.589 114.554 -0.103 0.000 2.918 675 T HA 0.352 4.701 4.350 -0.002 0.000 0.283 675 T C -1.869 172.828 174.700 -0.005 0.000 1.001 675 T CA -2.148 59.925 62.100 -0.044 0.000 1.041 675 T CB 1.172 70.025 68.868 -0.026 0.000 1.028 675 T HN -0.245 nan 8.240 nan 0.000 0.511 676 P HA -0.122 nan 4.420 nan 0.000 0.216 676 P C 1.513 178.827 177.300 0.023 0.000 1.150 676 P CA 1.051 64.161 63.100 0.017 0.000 0.837 676 P CB 0.023 31.730 31.700 0.011 0.000 0.786 677 E N -0.744 119.466 120.200 0.016 0.000 2.204 677 E HA -0.178 4.170 4.350 -0.002 0.000 0.194 677 E C 1.224 177.840 176.600 0.026 0.000 0.989 677 E CA 1.052 57.462 56.400 0.017 0.000 0.824 677 E CB -0.362 29.344 29.700 0.009 0.000 0.756 677 E HN 0.157 nan 8.360 nan 0.000 0.477 678 D N 0.921 121.342 120.400 0.034 0.000 2.525 678 D HA 0.029 4.668 4.640 -0.002 0.000 0.261 678 D C 0.655 177.005 176.300 0.082 0.000 1.379 678 D CA 0.387 54.418 54.000 0.052 0.000 1.074 678 D CB -0.084 40.747 40.800 0.053 0.000 0.939 678 D HN 0.137 nan 8.370 nan 0.000 0.272 679 N N -0.357 118.424 118.700 0.135 0.000 2.305 679 N HA 0.051 4.789 4.740 -0.002 0.000 0.248 679 N C 1.141 176.838 175.510 0.312 0.000 1.290 679 N CA -0.160 53.015 53.050 0.209 0.000 0.873 679 N CB 0.735 39.362 38.487 0.233 0.000 1.261 679 N HN -0.021 nan 8.380 nan 0.000 0.504 680 L N 1.194 122.529 121.223 0.186 0.000 2.137 680 L HA -0.208 4.131 4.340 -0.002 0.000 0.213 680 L C 1.374 178.358 176.870 0.191 0.000 1.085 680 L CA 1.937 56.871 54.840 0.156 0.000 0.760 680 L CB -0.331 41.754 42.059 0.044 0.000 0.893 680 L HN 0.223 nan 8.230 nan 0.000 0.434 681 D N -1.752 118.743 120.400 0.159 0.000 2.097 681 D HA -0.232 4.407 4.640 -0.002 0.000 0.195 681 D C 2.014 178.411 176.300 0.161 0.000 0.989 681 D CA 1.655 55.735 54.000 0.132 0.000 0.827 681 D CB -0.214 40.650 40.800 0.106 0.000 0.966 681 D HN 0.535 nan 8.370 nan 0.000 0.456 682 H N -0.874 118.253 119.070 0.095 0.000 2.502 682 H HA -0.031 4.524 4.556 -0.002 0.000 0.283 682 H C 1.539 176.916 175.328 0.081 0.000 1.015 682 H CA 0.944 57.025 56.048 0.055 0.000 1.298 682 H CB -0.170 29.583 29.762 -0.015 0.000 1.411 682 H HN 0.133 nan 8.280 nan 0.000 0.556 683 Y N -0.005 120.317 120.300 0.036 0.000 2.224 683 Y HA -0.151 4.398 4.550 -0.002 0.000 0.289 683 Y C 2.215 178.089 175.900 -0.044 0.000 1.146 683 Y CA 1.256 59.372 58.100 0.027 0.000 1.182 683 Y CB 0.194 38.688 38.460 0.056 0.000 0.983 683 Y HN 0.116 nan 8.280 nan 0.000 0.524 684 R N -0.463 120.103 120.500 0.111 0.000 2.240 684 R HA -0.026 4.313 4.340 -0.002 0.000 0.203 684 R C 1.340 177.630 176.300 -0.016 0.000 1.011 684 R CA 0.874 56.995 56.100 0.036 0.000 1.007 684 R CB -0.574 29.753 30.300 0.045 0.000 0.911 684 R HN 0.341 nan 8.270 nan 0.000 0.468 685 N N 0.690 119.352 118.700 -0.063 0.000 2.353 685 N HA -0.069 4.670 4.740 -0.002 0.000 0.185 685 N C 0.054 175.490 175.510 -0.124 0.000 1.098 685 N CA 0.382 53.395 53.050 -0.063 0.000 0.872 685 N CB 0.379 38.870 38.487 0.006 0.000 0.970 685 N HN 0.010 nan 8.380 nan 0.000 0.467 686 S N -1.148 114.436 115.700 -0.194 0.000 2.668 686 S HA 0.205 4.673 4.470 -0.002 0.000 0.244 686 S C -0.057 174.548 174.600 0.009 0.000 1.140 686 S CA -0.598 57.528 58.200 -0.124 0.000 1.134 686 S CB -0.894 62.123 63.200 -0.304 0.000 0.954 686 S HN 0.206 nan 8.310 nan 0.000 0.490 687 T N -1.638 112.900 114.554 -0.028 0.000 2.928 687 T HA 0.541 4.890 4.350 -0.002 0.000 0.284 687 T C 1.357 176.060 174.700 0.005 0.000 1.008 687 T CA -0.636 61.437 62.100 -0.045 0.000 1.057 687 T CB 1.385 70.197 68.868 -0.093 0.000 1.018 687 T HN -0.016 nan 8.240 nan 0.000 0.493 688 V N 1.784 121.707 119.914 0.016 0.000 2.392 688 V HA -0.181 3.938 4.120 -0.002 0.000 0.249 688 V C 2.595 178.679 176.094 -0.016 0.000 1.059 688 V CA 1.913 64.223 62.300 0.018 0.000 1.051 688 V CB -0.963 30.868 31.823 0.013 0.000 0.658 688 V HN 0.830 nan 8.190 nan 0.000 0.455 689 M N 0.916 120.487 119.600 -0.048 0.000 2.108 689 M HA -0.157 4.322 4.480 -0.002 0.000 0.261 689 M C 2.272 178.556 176.300 -0.028 0.000 1.066 689 M CA 2.197 57.462 55.300 -0.058 0.000 1.107 689 M CB -0.952 31.617 32.600 -0.051 0.000 1.356 689 M HN 0.503 nan 8.290 nan 0.000 0.406 690 S N -0.560 115.132 115.700 -0.013 0.000 2.547 690 S HA -0.046 4.423 4.470 -0.002 0.000 0.235 690 S C 1.747 176.358 174.600 0.020 0.000 0.980 690 S CA 0.672 58.872 58.200 0.000 0.000 0.941 690 S CB -0.489 62.709 63.200 -0.004 0.000 0.763 690 S HN 0.507 nan 8.310 nan 0.000 0.532 691 R N 0.199 120.725 120.500 0.044 0.000 2.362 691 R HA 0.413 4.752 4.340 -0.002 0.000 0.227 691 R C 2.316 178.716 176.300 0.167 0.000 0.905 691 R CA 0.468 56.619 56.100 0.085 0.000 1.067 691 R CB -0.252 30.096 30.300 0.080 0.000 1.078 691 R HN 0.443 nan 8.270 nan 0.000 0.516 692 A N 2.080 124.963 122.820 0.105 0.000 1.896 692 A HA -0.270 4.049 4.320 -0.002 0.000 0.220 692 A C 1.810 179.487 177.584 0.154 0.000 1.206 692 A CA 1.644 53.724 52.037 0.072 0.000 0.647 692 A CB -0.341 18.622 19.000 -0.060 0.000 0.828 692 A HN 0.230 nan 8.150 nan 0.000 0.455 693 E N -0.037 120.219 120.200 0.093 0.000 2.187 693 E HA -0.226 4.122 4.350 -0.002 0.000 0.199 693 E C 1.462 178.122 176.600 0.101 0.000 1.004 693 E CA 1.492 57.942 56.400 0.083 0.000 0.813 693 E CB -0.431 29.300 29.700 0.051 0.000 0.736 693 E HN 0.667 nan 8.360 nan 0.000 0.468 694 N N -0.085 118.676 118.700 0.102 0.000 2.457 694 N HA -0.059 4.679 4.740 -0.002 0.000 0.180 694 N C 1.310 176.817 175.510 -0.005 0.000 1.050 694 N CA 0.388 53.450 53.050 0.021 0.000 0.906 694 N CB -0.346 38.106 38.487 -0.058 0.000 0.968 694 N HN 0.146 nan 8.380 nan 0.000 0.445 695 F N 1.728 121.644 119.950 -0.056 0.000 2.604 695 F HA -0.041 4.485 4.527 -0.002 0.000 0.298 695 F C 1.786 177.599 175.800 0.021 0.000 1.131 695 F CA 0.520 58.487 58.000 -0.055 0.000 1.457 695 F CB -0.064 38.863 39.000 -0.121 0.000 1.095 695 F HN 0.079 nan 8.300 nan 0.000 0.574 696 K N 0.159 120.672 120.400 0.187 0.000 2.211 696 K HA -0.223 4.095 4.320 -0.002 0.000 0.204 696 K C 1.379 178.047 176.600 0.114 0.000 1.047 696 K CA 1.571 57.944 56.287 0.143 0.000 0.935 696 K CB -0.675 31.886 32.500 0.102 0.000 0.728 696 K HN 0.349 nan 8.250 nan 0.000 0.452 697 Q N 0.905 120.752 119.800 0.077 0.000 2.432 697 Q HA 0.067 4.406 4.340 -0.002 0.000 0.205 697 Q C 0.591 176.632 176.000 0.068 0.000 0.945 697 Q CA 0.519 56.353 55.803 0.052 0.000 0.924 697 Q CB 0.335 29.081 28.738 0.014 0.000 1.016 697 Q HN 0.371 nan 8.270 nan 0.000 0.503 698 V N -2.928 117.043 119.914 0.096 0.000 3.158 698 V HA 0.474 4.593 4.120 -0.002 0.000 0.311 698 V C -1.452 174.776 176.094 0.223 0.000 1.181 698 V CA -1.270 61.108 62.300 0.129 0.000 1.054 698 V CB 2.380 34.240 31.823 0.062 0.000 1.085 698 V HN -0.040 nan 8.190 nan 0.000 0.446 699 E N 1.384 121.745 120.200 0.268 0.000 2.113 699 E HA 0.424 4.773 4.350 -0.002 0.000 0.273 699 E C -1.892 175.057 176.600 0.582 0.000 0.924 699 E CA -0.443 56.186 56.400 0.382 0.000 0.764 699 E CB 1.795 31.671 29.700 0.293 0.000 1.104 699 E HN 0.662 nan 8.360 nan 0.000 0.406 700 Y N 3.351 123.899 120.300 0.412 0.000 2.360 700 Y HA 0.439 4.987 4.550 -0.002 0.000 0.337 700 Y C -1.307 174.695 175.900 0.169 0.000 1.039 700 Y CA -1.525 56.782 58.100 0.345 0.000 1.109 700 Y CB 0.950 39.641 38.460 0.384 0.000 1.201 700 Y HN 0.379 nan 8.280 nan 0.000 0.458 701 L N 7.409 128.457 121.223 -0.292 0.000 2.333 701 L HA 0.607 4.946 4.340 -0.002 0.000 0.280 701 L C -2.121 174.342 176.870 -0.678 0.000 1.004 701 L CA -0.931 53.531 54.840 -0.630 0.000 0.820 701 L CB 1.324 42.704 42.059 -1.131 0.000 1.247 701 L HN 0.616 nan 8.230 nan 0.000 0.416 702 L N 6.467 127.373 121.223 -0.529 0.000 2.381 702 L HA 0.720 5.059 4.340 -0.002 0.000 0.274 702 L C -1.310 175.456 176.870 -0.173 0.000 0.988 702 L CA -0.081 54.485 54.840 -0.457 0.000 0.824 702 L CB 1.568 43.323 42.059 -0.506 0.000 1.263 702 L HN 0.583 nan 8.230 nan 0.000 0.410 703 I N 4.021 124.509 120.570 -0.136 0.000 2.619 703 I HA 0.466 4.635 4.170 -0.002 0.000 0.292 703 I C -1.330 174.799 176.117 0.019 0.000 1.100 703 I CA -0.647 60.628 61.300 -0.043 0.000 1.043 703 I CB 2.276 40.204 38.000 -0.121 0.000 1.239 703 I HN 0.677 nan 8.210 nan 0.000 0.420 704 H N 2.025 121.184 119.070 0.148 0.000 3.085 704 H HA 0.492 5.047 4.556 -0.002 0.000 0.356 704 H C -0.337 175.246 175.328 0.426 0.000 1.178 704 H CA -0.567 55.626 56.048 0.243 0.000 1.214 704 H CB 2.096 31.994 29.762 0.226 0.000 1.881 704 H HN 0.730 nan 8.280 nan 0.000 0.538 705 G N 0.874 110.023 108.800 0.581 0.000 2.355 705 G HA2 0.191 4.150 3.960 -0.002 0.000 0.276 705 G HA3 0.191 4.150 3.960 -0.002 0.000 0.276 705 G C 1.161 176.359 174.900 0.497 0.000 1.198 705 G CA 0.152 45.560 45.100 0.512 0.000 0.876 705 G HN 0.764 nan 8.290 nan 0.000 0.478 706 T N -0.522 114.197 114.554 0.276 0.000 2.977 706 T HA 0.020 4.369 4.350 -0.002 0.000 0.271 706 T C 1.664 176.373 174.700 0.016 0.000 1.105 706 T CA 1.471 63.560 62.100 -0.019 0.000 1.116 706 T CB 0.129 68.937 68.868 -0.100 0.000 0.878 706 T HN 0.724 nan 8.240 nan 0.000 0.509 707 A N 0.584 123.467 122.820 0.105 0.000 2.564 707 A HA 0.307 4.626 4.320 -0.002 0.000 0.279 707 A C 0.477 177.968 177.584 -0.155 0.000 1.232 707 A CA -0.440 51.551 52.037 -0.078 0.000 0.950 707 A CB -0.071 19.165 19.000 0.394 0.000 1.138 707 A HN 0.394 nan 8.150 nan 0.000 0.526 708 D N 2.016 122.445 120.400 0.048 0.000 2.455 708 D HA -0.070 4.568 4.640 -0.002 0.000 0.265 708 D C 0.195 176.511 176.300 0.027 0.000 1.284 708 D CA 0.672 54.788 54.000 0.193 0.000 0.944 708 D CB 0.545 41.620 40.800 0.458 0.000 1.121 708 D HN 0.582 nan 8.370 nan 0.000 0.525 709 D N 2.147 122.600 120.400 0.089 0.000 2.360 709 D HA -0.114 4.525 4.640 -0.002 0.000 0.210 709 D C 1.022 177.370 176.300 0.080 0.000 1.047 709 D CA -0.200 53.818 54.000 0.030 0.000 0.854 709 D CB 0.256 41.038 40.800 -0.030 0.000 0.936 709 D HN 0.258 nan 8.370 nan 0.000 0.514 710 N N 1.041 119.865 118.700 0.207 0.000 2.324 710 N HA -0.076 4.663 4.740 -0.002 0.000 0.192 710 N C -0.037 175.506 175.510 0.054 0.000 1.046 710 N CA 0.646 53.852 53.050 0.260 0.000 0.898 710 N CB 0.059 38.687 38.487 0.234 0.000 1.079 710 N HN -0.105 nan 8.380 nan 0.000 0.456 711 V N 2.577 122.455 119.914 -0.060 0.000 2.348 711 V HA 0.227 4.346 4.120 -0.002 0.000 0.270 711 V C -0.458 175.725 176.094 0.148 0.000 1.037 711 V CA -0.493 61.807 62.300 0.000 0.000 0.872 711 V CB 0.029 31.876 31.823 0.040 0.000 1.002 711 V HN 0.321 nan 8.190 nan 0.000 0.464 712 H N 3.545 122.616 119.070 0.001 0.000 2.707 712 H HA 0.066 4.621 4.556 -0.002 0.000 0.359 712 H C 0.723 175.890 175.328 -0.268 0.000 1.113 712 H CA -0.364 55.597 56.048 -0.145 0.000 1.422 712 H CB 0.957 30.554 29.762 -0.274 0.000 1.443 712 H HN 0.658 nan 8.280 nan 0.000 0.591 713 F N 2.200 121.957 119.950 -0.321 0.000 2.184 713 F HA -0.324 4.202 4.527 -0.002 0.000 0.301 713 F C 2.598 178.123 175.800 -0.459 0.000 1.076 713 F CA 1.915 59.534 58.000 -0.635 0.000 1.295 713 F CB -0.172 38.637 39.000 -0.319 0.000 1.026 713 F HN 0.666 nan 8.300 nan 0.000 0.494 714 Q N 0.043 119.668 119.800 -0.293 0.000 2.173 714 Q HA -0.292 4.047 4.340 -0.002 0.000 0.208 714 Q C 2.008 177.756 176.000 -0.419 0.000 0.989 714 Q CA 2.019 57.611 55.803 -0.352 0.000 0.872 714 Q CB -0.405 28.103 28.738 -0.385 0.000 0.909 714 Q HN 0.576 nan 8.270 nan 0.000 0.420 715 Q N -0.053 119.549 119.800 -0.330 0.000 2.084 715 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 715 Q C 2.218 178.119 176.000 -0.164 0.000 0.978 715 Q CA 1.810 57.549 55.803 -0.107 0.000 0.844 715 Q CB -0.047 28.681 28.738 -0.015 0.000 0.898 715 Q HN 0.386 nan 8.270 nan 0.000 0.426 716 S N 0.690 116.175 115.700 -0.358 0.000 2.436 716 S HA 0.036 4.504 4.470 -0.002 0.000 0.228 716 S C 2.013 176.358 174.600 -0.425 0.000 1.014 716 S CA 0.652 58.643 58.200 -0.348 0.000 0.950 716 S CB -0.001 62.977 63.200 -0.371 0.000 0.784 716 S HN 0.444 nan 8.310 nan 0.000 0.504 717 A N 1.622 124.086 122.820 -0.592 0.000 1.930 717 A HA -0.100 4.218 4.320 -0.002 0.000 0.217 717 A C 2.137 179.611 177.584 -0.183 0.000 1.175 717 A CA 0.999 52.818 52.037 -0.364 0.000 0.627 717 A CB -0.390 18.455 19.000 -0.258 0.000 0.815 717 A HN 0.351 nan 8.150 nan 0.000 0.443 718 Q N -0.319 119.383 119.800 -0.163 0.000 2.167 718 Q HA -0.040 4.299 4.340 -0.002 0.000 0.202 718 Q C 2.114 178.064 176.000 -0.084 0.000 0.970 718 Q CA 1.031 56.798 55.803 -0.060 0.000 0.855 718 Q CB -0.335 28.450 28.738 0.077 0.000 0.911 718 Q HN 0.771 nan 8.270 nan 0.000 0.438 719 I N 1.141 121.635 120.570 -0.127 0.000 2.226 719 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 719 I C 2.568 178.529 176.117 -0.259 0.000 1.100 719 I CA 1.544 62.733 61.300 -0.183 0.000 1.374 719 I CB -0.436 37.466 38.000 -0.163 0.000 1.057 719 I HN 0.200 nan 8.210 nan 0.000 0.413 720 S N 0.691 116.267 115.700 -0.207 0.000 2.371 720 S HA -0.213 4.256 4.470 -0.002 0.000 0.224 720 S C 2.006 176.579 174.600 -0.045 0.000 1.029 720 S CA 0.981 59.087 58.200 -0.158 0.000 0.978 720 S CB -0.339 62.932 63.200 0.117 0.000 0.833 720 S HN 0.303 nan 8.310 nan 0.000 0.466 721 K N 1.930 122.310 120.400 -0.032 0.000 2.001 721 K HA -0.104 4.215 4.320 -0.002 0.000 0.214 721 K C 2.369 178.949 176.600 -0.033 0.000 1.050 721 K CA 1.590 57.872 56.287 -0.009 0.000 0.934 721 K CB -0.885 31.607 32.500 -0.013 0.000 0.718 721 K HN 0.438 nan 8.250 nan 0.000 0.443 722 A N 0.917 123.692 122.820 -0.075 0.000 1.948 722 A HA -0.172 4.146 4.320 -0.002 0.000 0.220 722 A C 2.164 179.686 177.584 -0.103 0.000 1.177 722 A CA 1.713 53.702 52.037 -0.081 0.000 0.636 722 A CB -0.749 18.190 19.000 -0.101 0.000 0.815 722 A HN 0.364 nan 8.150 nan 0.000 0.449 723 L N -0.726 120.380 121.223 -0.194 0.000 2.017 723 L HA -0.171 4.168 4.340 -0.002 0.000 0.208 723 L C 2.540 179.422 176.870 0.020 0.000 1.073 723 L CA 1.217 55.942 54.840 -0.191 0.000 0.745 723 L CB -0.764 40.969 42.059 -0.543 0.000 0.894 723 L HN 0.250 nan 8.230 nan 0.000 0.432 724 V N -0.058 119.906 119.914 0.085 0.000 2.332 724 V HA -0.310 3.809 4.120 -0.002 0.000 0.248 724 V C 1.935 178.069 176.094 0.067 0.000 1.055 724 V CA 2.027 64.401 62.300 0.124 0.000 1.038 724 V CB -0.546 31.349 31.823 0.119 0.000 0.651 724 V HN 0.422 nan 8.190 nan 0.000 0.450 725 D N -0.832 119.588 120.400 0.034 0.000 2.310 725 D HA -0.065 4.574 4.640 -0.002 0.000 0.212 725 D C 1.556 177.872 176.300 0.026 0.000 0.965 725 D CA 0.760 54.775 54.000 0.024 0.000 0.879 725 D CB 0.255 41.062 40.800 0.011 0.000 0.921 725 D HN 0.347 nan 8.370 nan 0.000 0.510 726 V N -1.273 118.659 119.914 0.029 0.000 3.432 726 V HA 0.281 4.400 4.120 -0.002 0.000 0.298 726 V C 1.256 177.380 176.094 0.049 0.000 1.464 726 V CA 0.561 62.880 62.300 0.032 0.000 1.046 726 V CB 0.804 32.640 31.823 0.022 0.000 0.887 726 V HN 0.289 nan 8.190 nan 0.000 0.441 727 G N 0.876 109.713 108.800 0.063 0.000 2.137 727 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.237 727 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.237 727 G C 0.092 175.055 174.900 0.104 0.000 1.002 727 G CA 0.250 45.396 45.100 0.077 0.000 0.702 727 G HN 0.409 nan 8.290 nan 0.000 0.515 728 V N 0.588 120.579 119.914 0.130 0.000 2.465 728 V HA 0.491 4.610 4.120 -0.002 0.000 0.279 728 V C 0.493 176.754 176.094 0.279 0.000 1.045 728 V CA -0.432 61.974 62.300 0.176 0.000 0.938 728 V CB 1.720 33.638 31.823 0.159 0.000 0.986 728 V HN 0.378 nan 8.190 nan 0.000 0.467 729 D N 3.597 124.147 120.400 0.250 0.000 2.264 729 D HA 0.631 5.269 4.640 -0.002 0.000 0.249 729 D C -0.689 175.849 176.300 0.396 0.000 1.070 729 D CA 0.207 54.357 54.000 0.249 0.000 0.912 729 D CB 0.881 41.759 40.800 0.130 0.000 1.193 729 D HN 0.381 nan 8.370 nan 0.000 0.427 730 F N -0.847 119.174 119.950 0.118 0.000 2.744 730 F HA 0.394 4.919 4.527 -0.002 0.000 0.311 730 F C -1.557 174.284 175.800 0.068 0.000 1.144 730 F CA -1.070 57.014 58.000 0.141 0.000 0.938 730 F CB 0.646 39.752 39.000 0.176 0.000 1.292 730 F HN 0.211 nan 8.300 nan 0.000 0.444 731 Q N 1.654 121.472 119.800 0.029 0.000 2.226 731 Q HA 0.875 5.214 4.340 -0.002 0.000 0.256 731 Q C -0.892 175.049 176.000 -0.099 0.000 0.962 731 Q CA -1.139 54.591 55.803 -0.123 0.000 0.887 731 Q CB 2.249 30.973 28.738 -0.024 0.000 1.282 731 Q HN 0.982 nan 8.270 nan 0.000 0.449 732 A N 1.529 124.273 122.820 -0.127 0.000 2.527 732 A HA 0.886 5.205 4.320 -0.002 0.000 0.293 732 A C -1.454 176.067 177.584 -0.106 0.000 1.117 732 A CA -0.643 51.366 52.037 -0.047 0.000 0.723 732 A CB 1.949 20.972 19.000 0.037 0.000 1.313 732 A HN 0.659 nan 8.150 nan 0.000 0.411 733 M N 0.997 120.537 119.600 -0.101 0.000 2.298 733 M HA 0.502 4.981 4.480 -0.002 0.000 0.255 733 M C -1.792 174.437 176.300 -0.118 0.000 1.021 733 M CA -0.255 54.860 55.300 -0.309 0.000 0.968 733 M CB 0.987 33.292 32.600 -0.491 0.000 2.037 733 M HN 0.965 nan 8.290 nan 0.000 0.478 734 W N 4.371 125.591 121.300 -0.133 0.000 2.303 734 W HA 0.724 5.383 4.660 -0.002 0.000 0.334 734 W C -1.892 174.431 176.519 -0.327 0.000 1.197 734 W CA -0.547 56.777 57.345 -0.035 0.000 1.262 734 W CB 0.217 29.663 29.460 -0.024 0.000 1.153 734 W HN 0.606 nan 8.180 nan 0.000 0.596 735 Y N 2.530 122.967 120.300 0.228 0.000 2.338 735 Y HA 0.295 4.844 4.550 -0.002 0.000 0.328 735 Y C 0.802 176.866 175.900 0.274 0.000 0.965 735 Y CA -1.064 57.114 58.100 0.131 0.000 1.208 735 Y CB 1.568 40.083 38.460 0.092 0.000 1.132 735 Y HN 0.634 nan 8.280 nan 0.000 0.469 736 T N 0.157 114.943 114.554 0.387 0.000 2.901 736 T HA 0.161 4.510 4.350 -0.002 0.000 0.301 736 T C 0.371 175.218 174.700 0.246 0.000 1.012 736 T CA -0.089 62.196 62.100 0.308 0.000 1.135 736 T CB 0.454 69.437 68.868 0.192 0.000 0.936 736 T HN 0.782 nan 8.240 nan 0.000 0.539 737 D N 0.060 120.608 120.400 0.247 0.000 2.978 737 D HA -0.122 4.517 4.640 -0.002 0.000 0.205 737 D C -0.038 176.471 176.300 0.348 0.000 1.093 737 D CA 1.248 55.401 54.000 0.255 0.000 1.006 737 D CB -0.737 40.050 40.800 -0.021 0.000 1.116 737 D HN 0.729 nan 8.370 nan 0.000 0.419 738 E N 1.229 121.617 120.200 0.313 0.000 2.354 738 E HA 0.261 4.610 4.350 -0.002 0.000 0.269 738 E C 0.850 177.638 176.600 0.314 0.000 1.036 738 E CA -0.090 56.487 56.400 0.295 0.000 0.876 738 E CB 1.013 30.872 29.700 0.265 0.000 1.009 738 E HN 0.377 nan 8.360 nan 0.000 0.416 739 D N 0.459 121.044 120.400 0.308 0.000 2.406 739 D HA -0.036 4.603 4.640 -0.002 0.000 0.288 739 D C 1.191 177.715 176.300 0.374 0.000 1.186 739 D CA 0.043 54.243 54.000 0.334 0.000 1.098 739 D CB -0.247 40.765 40.800 0.353 0.000 1.160 739 D HN 0.429 nan 8.370 nan 0.000 0.561 740 H N -1.392 117.854 119.070 0.293 0.000 2.357 740 H HA 0.144 4.698 4.556 -0.002 0.000 0.301 740 H C 2.018 177.594 175.328 0.413 0.000 1.082 740 H CA 2.211 58.455 56.048 0.326 0.000 1.342 740 H CB -0.539 29.404 29.762 0.302 0.000 1.389 740 H HN 0.458 nan 8.280 nan 0.000 0.511 741 G N 0.125 109.068 108.800 0.239 0.000 2.650 741 G HA2 0.004 3.962 3.960 -0.002 0.000 0.214 741 G HA3 0.004 3.962 3.960 -0.002 0.000 0.214 741 G C 0.493 175.568 174.900 0.292 0.000 1.136 741 G CA 0.340 45.497 45.100 0.095 0.000 0.789 741 G HN 0.546 nan 8.290 nan 0.000 0.536 742 I N -0.276 120.488 120.570 0.324 0.000 6.945 742 I HA -0.312 3.857 4.170 -0.002 0.000 0.126 742 I C 1.360 177.591 176.117 0.190 0.000 1.748 742 I CA 0.293 61.734 61.300 0.235 0.000 2.254 742 I CB -1.565 36.554 38.000 0.198 0.000 3.408 742 I HN 0.285 nan 8.210 nan 0.000 0.230 743 A N 1.721 124.622 122.820 0.134 0.000 2.382 743 A HA 0.238 4.557 4.320 -0.002 0.000 0.228 743 A C 1.186 178.803 177.584 0.055 0.000 1.217 743 A CA 0.645 52.716 52.037 0.057 0.000 0.923 743 A CB 0.270 19.268 19.000 -0.003 0.000 0.979 743 A HN 0.721 nan 8.150 nan 0.000 0.515 744 S N 0.992 116.747 115.700 0.091 0.000 2.558 744 S HA 0.089 4.558 4.470 -0.002 0.000 0.291 744 S C 1.353 176.009 174.600 0.093 0.000 1.306 744 S CA 0.446 58.698 58.200 0.086 0.000 1.056 744 S CB 0.686 63.946 63.200 0.099 0.000 0.836 744 S HN 0.969 nan 8.310 nan 0.000 0.504 745 S N 2.464 118.208 115.700 0.074 0.000 2.382 745 S HA -0.177 4.292 4.470 -0.002 0.000 0.228 745 S C 2.015 176.677 174.600 0.104 0.000 1.027 745 S CA 1.410 59.665 58.200 0.091 0.000 0.991 745 S CB -1.873 61.356 63.200 0.049 0.000 0.823 745 S HN 1.095 nan 8.310 nan 0.000 0.469 746 T N 0.602 115.200 114.554 0.073 0.000 2.746 746 T HA 0.129 4.478 4.350 -0.002 0.000 0.267 746 T C 2.017 176.766 174.700 0.081 0.000 1.039 746 T CA 1.139 63.277 62.100 0.064 0.000 1.142 746 T CB -0.915 67.977 68.868 0.041 0.000 0.866 746 T HN 0.575 nan 8.240 nan 0.000 0.444 747 A N 1.196 124.058 122.820 0.070 0.000 1.968 747 A HA -0.033 4.285 4.320 -0.002 0.000 0.217 747 A C 2.198 179.757 177.584 -0.042 0.000 1.169 747 A CA 1.780 53.810 52.037 -0.012 0.000 0.638 747 A CB -1.084 17.883 19.000 -0.055 0.000 0.812 747 A HN 0.719 nan 8.150 nan 0.000 0.446 748 H N 0.222 119.283 119.070 -0.015 0.000 2.321 748 H HA -0.101 4.454 4.556 -0.002 0.000 0.300 748 H C 2.035 177.427 175.328 0.107 0.000 1.087 748 H CA 2.281 58.370 56.048 0.069 0.000 1.319 748 H CB -0.233 29.570 29.762 0.069 0.000 1.379 748 H HN 0.580 nan 8.280 nan 0.000 0.501 749 Q N -1.414 118.361 119.800 -0.040 0.000 2.167 749 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 749 Q C 2.012 177.985 176.000 -0.044 0.000 0.970 749 Q CA 1.396 57.133 55.803 -0.111 0.000 0.855 749 Q CB -0.107 28.604 28.738 -0.044 0.000 0.911 749 Q HN 0.620 nan 8.270 nan 0.000 0.438 750 H N 0.728 119.758 119.070 -0.068 0.000 2.395 750 H HA 0.014 4.568 4.556 -0.002 0.000 0.299 750 H C 1.751 177.063 175.328 -0.026 0.000 1.070 750 H CA 1.159 57.199 56.048 -0.014 0.000 1.356 750 H CB 0.092 29.910 29.762 0.093 0.000 1.401 750 H HN 0.195 nan 8.280 nan 0.000 0.524 751 I N -0.645 119.826 120.570 -0.165 0.000 2.500 751 I HA -0.237 3.931 4.170 -0.002 0.000 0.252 751 I C 1.121 176.956 176.117 -0.469 0.000 1.142 751 I CA 1.004 62.128 61.300 -0.293 0.000 1.451 751 I CB -0.112 37.593 38.000 -0.491 0.000 1.093 751 I HN 0.265 nan 8.210 nan 0.000 0.430 752 Y N 1.211 121.280 120.300 -0.385 0.000 2.220 752 Y HA -0.183 4.366 4.550 -0.002 0.000 0.291 752 Y C 2.727 178.391 175.900 -0.393 0.000 1.129 752 Y CA 1.868 59.622 58.100 -0.577 0.000 1.161 752 Y CB -1.025 37.092 38.460 -0.572 0.000 0.997 752 Y HN 0.095 nan 8.280 nan 0.000 0.522 753 T N -1.079 113.361 114.554 -0.190 0.000 2.570 753 T HA -0.332 4.017 4.350 -0.002 0.000 0.266 753 T C 1.621 176.087 174.700 -0.390 0.000 1.071 753 T CA 2.194 64.109 62.100 -0.307 0.000 1.172 753 T CB -0.735 67.968 68.868 -0.275 0.000 0.864 753 T HN 0.411 nan 8.240 nan 0.000 0.421 754 H N 0.537 119.354 119.070 -0.422 0.000 2.321 754 H HA -0.013 4.542 4.556 -0.002 0.000 0.295 754 H C 2.224 177.465 175.328 -0.144 0.000 1.102 754 H CA 1.875 57.745 56.048 -0.296 0.000 1.266 754 H CB -0.337 29.238 29.762 -0.312 0.000 1.363 754 H HN 0.294 nan 8.280 nan 0.000 0.492 755 M N -1.137 118.346 119.600 -0.195 0.000 2.175 755 M HA -0.154 4.325 4.480 -0.002 0.000 0.264 755 M C 2.497 178.904 176.300 0.179 0.000 1.063 755 M CA 1.431 56.650 55.300 -0.134 0.000 1.119 755 M CB 0.088 32.392 32.600 -0.494 0.000 1.377 755 M HN 0.196 nan 8.290 nan 0.000 0.415 756 S N -0.571 115.266 115.700 0.229 0.000 2.359 756 S HA -0.179 4.290 4.470 -0.002 0.000 0.224 756 S C 1.663 176.440 174.600 0.295 0.000 1.035 756 S CA 1.195 59.652 58.200 0.429 0.000 1.018 756 S CB -0.520 62.895 63.200 0.358 0.000 0.876 756 S HN 0.456 nan 8.310 nan 0.000 0.448 757 H N 0.081 119.221 119.070 0.117 0.000 2.321 757 H HA -0.019 4.536 4.556 -0.002 0.000 0.300 757 H C 1.870 177.214 175.328 0.028 0.000 1.087 757 H CA 1.178 57.256 56.048 0.051 0.000 1.319 757 H CB -1.004 28.756 29.762 -0.003 0.000 1.379 757 H HN 0.453 nan 8.280 nan 0.000 0.501 758 F N 1.042 120.972 119.950 -0.034 0.000 2.091 758 F HA -0.226 4.300 4.527 -0.002 0.000 0.299 758 F C 2.248 178.000 175.800 -0.079 0.000 1.103 758 F CA 1.151 59.093 58.000 -0.097 0.000 1.228 758 F CB -0.162 38.734 39.000 -0.174 0.000 0.984 758 F HN -0.001 nan 8.300 nan 0.000 0.477 759 I N 0.585 121.155 120.570 0.001 0.000 2.179 759 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 759 I C 2.229 178.193 176.117 -0.254 0.000 1.088 759 I CA 1.467 62.616 61.300 -0.251 0.000 1.357 759 I CB -1.274 36.672 38.000 -0.090 0.000 1.051 759 I HN 0.221 nan 8.210 nan 0.000 0.409 760 K N 0.818 121.211 120.400 -0.012 0.000 2.103 760 K HA -0.235 4.083 4.320 -0.002 0.000 0.207 760 K C 2.020 178.622 176.600 0.003 0.000 1.048 760 K CA 1.741 58.064 56.287 0.060 0.000 0.930 760 K CB -0.173 32.415 32.500 0.146 0.000 0.716 760 K HN 0.519 nan 8.250 nan 0.000 0.444 761 Q N 0.327 120.080 119.800 -0.078 0.000 2.212 761 Q HA -0.056 4.282 4.340 -0.002 0.000 0.199 761 Q C 2.186 178.089 176.000 -0.161 0.000 0.950 761 Q CA 1.165 56.910 55.803 -0.098 0.000 0.863 761 Q CB -0.849 27.835 28.738 -0.091 0.000 0.944 761 Q HN 0.255 nan 8.270 nan 0.000 0.465 762 c N -0.078 118.311 118.600 -0.351 0.000 2.411 762 c HA -0.017 4.552 4.570 -0.002 0.000 0.279 762 c C 1.437 175.491 174.090 -0.061 0.000 1.288 762 c CA 0.498 56.605 56.329 -0.370 0.000 1.764 762 c CB -1.135 40.952 42.510 -0.706 0.000 1.974 762 c HN 0.611 nan 8.230 nan 0.000 0.498 763 F N 1.496 121.399 119.950 -0.078 0.000 2.693 763 F HA 0.266 4.792 4.527 -0.002 0.000 0.303 763 F C 1.636 177.418 175.800 -0.030 0.000 1.097 763 F CA 0.321 58.299 58.000 -0.037 0.000 1.330 763 F CB -1.125 37.864 39.000 -0.019 0.000 1.067 763 F HN 0.192 nan 8.300 nan 0.000 0.565 764 S N 1.055 116.833 115.700 0.129 0.000 3.614 764 S HA -0.207 4.261 4.470 -0.002 0.000 0.360 764 S C -0.043 174.595 174.600 0.063 0.000 1.023 764 S CA 0.194 58.433 58.200 0.065 0.000 1.114 764 S CB -1.869 61.356 63.200 0.043 0.000 0.907 764 S HN 0.231 nan 8.310 nan 0.000 0.470 765 L N 1.190 122.464 121.223 0.085 0.000 2.305 765 L HA 0.523 4.861 4.340 -0.002 0.000 0.284 765 L C -1.869 175.038 176.870 0.061 0.000 1.013 765 L CA -1.944 52.943 54.840 0.079 0.000 0.819 765 L CB 1.419 43.551 42.059 0.121 0.000 1.227 765 L HN 0.028 nan 8.230 nan 0.000 0.417 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.124 63.100 0.040 0.000 0.800 766 P CB 0.000 31.716 31.700 0.026 0.000 0.726