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 2fjp_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.741 174.700 0.068 0.000 1.109 39 T CA 0.000 62.129 62.100 0.048 0.000 1.349 39 T CB 0.000 68.889 68.868 0.035 0.000 0.612 40 R N 1.893 122.435 120.500 0.070 0.000 1.156 40 R HA -0.097 4.244 4.340 0.001 0.000 0.422 40 R C -0.057 176.299 176.300 0.094 0.000 1.346 40 R CA 0.833 56.983 56.100 0.083 0.000 1.139 40 R CB -0.275 30.078 30.300 0.089 0.000 3.355 40 R HN 0.816 nan 8.270 nan 0.000 0.502 41 K N 0.769 121.230 120.400 0.102 0.000 2.136 41 K HA 0.437 4.758 4.320 0.001 0.000 0.237 41 K C 0.517 177.192 176.600 0.125 0.000 1.048 41 K CA -0.199 56.157 56.287 0.114 0.000 0.880 41 K CB 0.562 33.140 32.500 0.130 0.000 1.105 41 K HN 0.668 nan 8.250 nan 0.000 0.507 42 T N -3.029 111.610 114.554 0.141 0.000 2.927 42 T HA 0.204 4.555 4.350 0.001 0.000 0.286 42 T C -1.019 173.815 174.700 0.224 0.000 1.040 42 T CA -0.840 61.356 62.100 0.159 0.000 1.010 42 T CB 0.668 69.623 68.868 0.146 0.000 1.177 42 T HN 0.519 nan 8.240 nan 0.000 0.546 43 Y N 2.685 123.054 120.300 0.115 0.000 2.504 43 Y HA 0.397 4.947 4.550 0.001 0.000 0.351 43 Y C 1.012 177.075 175.900 0.273 0.000 0.988 43 Y CA -0.324 57.882 58.100 0.177 0.000 1.239 43 Y CB -0.156 38.367 38.460 0.104 0.000 1.128 43 Y HN 1.025 nan 8.280 nan 0.000 0.525 44 T N 2.218 116.784 114.554 0.021 0.000 2.824 44 T HA 0.110 4.461 4.350 0.001 0.000 0.277 44 T C 1.005 175.646 174.700 -0.097 0.000 0.975 44 T CA -0.586 61.581 62.100 0.112 0.000 0.966 44 T CB 1.071 69.963 68.868 0.039 0.000 1.054 44 T HN 0.686 nan 8.240 nan 0.000 0.533 45 L N 0.778 121.782 121.223 -0.365 0.000 2.056 45 L HA 0.057 4.398 4.340 0.001 0.000 0.207 45 L C 2.590 179.303 176.870 -0.261 0.000 1.078 45 L CA 2.091 56.534 54.840 -0.660 0.000 0.749 45 L CB -1.474 40.052 42.059 -0.887 0.000 0.901 45 L HN 0.939 nan 8.230 nan 0.000 0.433 46 T N -0.521 113.915 114.554 -0.197 0.000 2.788 46 T HA -0.144 4.207 4.350 0.001 0.000 0.268 46 T C 1.462 176.069 174.700 -0.156 0.000 1.044 46 T CA 1.385 63.399 62.100 -0.144 0.000 1.139 46 T CB -0.376 68.433 68.868 -0.099 0.000 0.867 46 T HN 0.382 nan 8.240 nan 0.000 0.454 47 D N 0.232 120.507 120.400 -0.207 0.000 2.117 47 D HA -0.085 4.556 4.640 0.001 0.000 0.197 47 D C 1.698 177.892 176.300 -0.177 0.000 0.987 47 D CA 0.953 54.800 54.000 -0.254 0.000 0.829 47 D CB -0.358 40.198 40.800 -0.406 0.000 0.961 47 D HN 0.443 nan 8.370 nan 0.000 0.460 48 Y N 1.323 121.439 120.300 -0.306 0.000 2.200 48 Y HA -0.063 4.488 4.550 0.001 0.000 0.290 48 Y C 2.036 177.940 175.900 0.008 0.000 1.137 48 Y CA 1.153 59.248 58.100 -0.008 0.000 1.163 48 Y CB -0.466 38.057 38.460 0.106 0.000 0.988 48 Y HN -0.091 nan 8.280 nan 0.000 0.518 49 L N -0.071 120.952 121.223 -0.334 0.000 2.217 49 L HA -0.102 4.239 4.340 0.001 0.000 0.211 49 L C 1.779 178.534 176.870 -0.192 0.000 1.107 49 L CA 1.013 55.636 54.840 -0.362 0.000 0.783 49 L CB -0.356 41.556 42.059 -0.245 0.000 0.919 49 L HN 0.021 nan 8.230 nan 0.000 0.442 50 K N -0.491 119.824 120.400 -0.143 0.000 2.358 50 K HA 0.148 4.469 4.320 0.001 0.000 0.197 50 K C 0.136 176.689 176.600 -0.079 0.000 1.025 50 K CA -0.089 56.139 56.287 -0.097 0.000 1.104 50 K CB 0.134 32.579 32.500 -0.093 0.000 0.855 50 K HN 0.174 nan 8.250 nan 0.000 0.531 51 N N 1.558 120.222 118.700 -0.060 0.000 2.735 51 N HA -0.175 4.566 4.740 0.001 0.000 0.248 51 N C 0.939 176.435 175.510 -0.023 0.000 1.083 51 N CA 1.249 54.306 53.050 0.010 0.000 0.703 51 N CB -1.552 36.938 38.487 0.005 0.000 1.005 51 N HN 0.457 nan 8.380 nan 0.000 0.550 52 T N -3.083 111.395 114.554 -0.127 0.000 2.929 52 T HA -0.172 4.179 4.350 0.001 0.000 0.271 52 T C 0.473 174.948 174.700 -0.375 0.000 1.085 52 T CA 1.090 63.009 62.100 -0.302 0.000 1.125 52 T CB -0.153 68.434 68.868 -0.469 0.000 0.874 52 T HN 0.316 nan 8.240 nan 0.000 0.494 53 Y N 1.449 121.838 120.300 0.148 0.000 2.721 53 Y HA 0.633 5.183 4.550 0.001 0.000 0.328 53 Y C 0.312 176.319 175.900 0.178 0.000 1.003 53 Y CA -1.418 56.794 58.100 0.187 0.000 1.275 53 Y CB 0.610 39.245 38.460 0.292 0.000 1.097 53 Y HN -0.031 nan 8.280 nan 0.000 0.514 54 R N 2.085 122.722 120.500 0.228 0.000 2.254 54 R HA 0.464 4.805 4.340 0.001 0.000 0.318 54 R C -1.122 175.286 176.300 0.180 0.000 1.031 54 R CA -0.611 55.593 56.100 0.174 0.000 0.905 54 R CB 0.496 30.858 30.300 0.103 0.000 1.050 54 R HN 0.460 nan 8.270 nan 0.000 0.456 55 L N 3.802 125.136 121.223 0.185 0.000 2.367 55 L HA 0.247 4.588 4.340 0.001 0.000 0.275 55 L C 0.360 177.315 176.870 0.142 0.000 1.129 55 L CA 0.506 55.453 54.840 0.178 0.000 0.839 55 L CB 0.730 42.914 42.059 0.209 0.000 1.133 55 L HN 0.432 nan 8.230 nan 0.000 0.453 56 K N 2.758 123.236 120.400 0.130 0.000 2.144 56 K HA 0.612 4.933 4.320 0.001 0.000 0.270 56 K C -0.813 175.846 176.600 0.097 0.000 1.005 56 K CA -0.639 55.707 56.287 0.098 0.000 0.932 56 K CB 1.116 33.667 32.500 0.085 0.000 1.021 56 K HN 0.225 nan 8.250 nan 0.000 0.462 57 L N 1.072 122.291 121.223 -0.007 0.000 2.183 57 L HA 0.456 4.796 4.340 0.001 0.000 0.253 57 L C -1.230 175.430 176.870 -0.350 0.000 1.048 57 L CA -0.640 54.078 54.840 -0.203 0.000 0.890 57 L CB 0.762 42.802 42.059 -0.032 0.000 1.476 57 L HN 0.537 nan 8.230 nan 0.000 0.455 58 Y N -0.133 119.721 120.300 -0.744 0.000 2.532 58 Y HA 0.372 4.923 4.550 0.001 0.000 0.318 58 Y C -0.865 174.898 175.900 -0.227 0.000 1.138 58 Y CA -0.367 57.472 58.100 -0.435 0.000 1.306 58 Y CB 1.104 39.103 38.460 -0.768 0.000 1.106 58 Y HN 0.422 nan 8.280 nan 0.000 0.588 59 S N 5.617 121.267 115.700 -0.082 0.000 2.400 59 S HA 0.455 4.926 4.470 0.001 0.000 0.295 59 S C -0.404 174.154 174.600 -0.069 0.000 1.113 59 S CA -0.525 57.652 58.200 -0.039 0.000 1.064 59 S CB -0.351 62.832 63.200 -0.028 0.000 0.990 59 S HN 0.544 nan 8.310 nan 0.000 0.502 60 L N 1.907 123.046 121.223 -0.140 0.000 2.335 60 L HA 0.799 5.139 4.340 0.001 0.000 0.268 60 L C -0.159 176.589 176.870 -0.202 0.000 1.016 60 L CA -0.856 53.835 54.840 -0.249 0.000 0.805 60 L CB 0.651 42.230 42.059 -0.801 0.000 1.311 60 L HN 0.312 nan 8.230 nan 0.000 0.456 61 R N 0.187 120.595 120.500 -0.153 0.000 2.473 61 R HA 0.351 4.692 4.340 0.001 0.000 0.303 61 R C -1.807 174.488 176.300 -0.009 0.000 1.002 61 R CA -0.274 55.803 56.100 -0.039 0.000 0.884 61 R CB 1.096 31.427 30.300 0.051 0.000 1.173 61 R HN 0.654 nan 8.270 nan 0.000 0.464 62 W N 4.526 125.920 121.300 0.157 0.000 2.308 62 W HA 0.121 4.782 4.660 0.001 0.000 0.324 62 W C 1.470 178.068 176.519 0.132 0.000 1.387 62 W CA -0.382 57.069 57.345 0.177 0.000 1.250 62 W CB 0.457 30.023 29.460 0.177 0.000 1.257 62 W HN 0.657 nan 8.180 nan 0.000 0.554 63 I N 0.473 121.253 120.570 0.350 0.000 4.139 63 I HA 0.304 4.475 4.170 0.001 0.000 0.335 63 I C 0.696 176.932 176.117 0.199 0.000 1.327 63 I CA -0.110 61.308 61.300 0.196 0.000 1.112 63 I CB -0.156 37.884 38.000 0.066 0.000 1.058 63 I HN 0.263 nan 8.210 nan 0.000 0.396 64 S N -0.471 115.395 115.700 0.276 0.000 2.755 64 S HA 0.264 4.735 4.470 0.001 0.000 0.286 64 S C -0.214 174.557 174.600 0.285 0.000 1.207 64 S CA -0.196 58.151 58.200 0.246 0.000 0.892 64 S CB 1.324 64.657 63.200 0.222 0.000 1.240 64 S HN 0.056 nan 8.310 nan 0.000 0.525 65 D N -0.114 120.468 120.400 0.303 0.000 2.340 65 D HA 0.143 4.783 4.640 0.001 0.000 0.220 65 D C 1.109 177.666 176.300 0.429 0.000 1.039 65 D CA 1.070 55.222 54.000 0.254 0.000 0.866 65 D CB 0.014 40.929 40.800 0.192 0.000 0.913 65 D HN 0.660 nan 8.370 nan 0.000 0.523 66 H N -2.167 117.097 119.070 0.323 0.000 3.650 66 H HA 0.387 4.944 4.556 0.001 0.000 0.260 66 H C -0.424 175.078 175.328 0.289 0.000 1.194 66 H CA -0.286 55.970 56.048 0.347 0.000 1.135 66 H CB 0.115 30.045 29.762 0.280 0.000 1.612 66 H HN 0.018 nan 8.280 nan 0.000 0.703 67 E N 0.841 121.032 120.200 -0.015 0.000 2.367 67 E HA 0.412 4.763 4.350 0.001 0.000 0.273 67 E C -1.590 175.123 176.600 0.189 0.000 0.903 67 E CA -1.183 55.174 56.400 -0.072 0.000 0.764 67 E CB 3.039 32.548 29.700 -0.318 0.000 1.252 67 E HN 0.261 nan 8.360 nan 0.000 0.446 68 Y N -0.850 119.419 120.300 -0.052 0.000 2.615 68 Y HA 0.662 5.213 4.550 0.001 0.000 0.341 68 Y C -1.669 174.197 175.900 -0.055 0.000 1.089 68 Y CA -1.335 56.648 58.100 -0.196 0.000 1.049 68 Y CB 0.869 38.868 38.460 -0.767 0.000 1.296 68 Y HN 0.342 nan 8.280 nan 0.000 0.470 69 L N 2.801 124.153 121.223 0.215 0.000 2.325 69 L HA 0.521 4.862 4.340 0.001 0.000 0.278 69 L C -1.376 175.697 176.870 0.339 0.000 1.023 69 L CA -0.992 53.960 54.840 0.186 0.000 0.811 69 L CB 1.657 43.739 42.059 0.037 0.000 1.249 69 L HN 0.778 nan 8.230 nan 0.000 0.431 70 Y N 2.530 122.941 120.300 0.184 0.000 2.433 70 Y HA 0.324 4.875 4.550 0.001 0.000 0.337 70 Y C -0.722 175.203 175.900 0.042 0.000 1.026 70 Y CA -1.154 56.969 58.100 0.038 0.000 1.037 70 Y CB 1.711 40.146 38.460 -0.042 0.000 1.245 70 Y HN 0.436 nan 8.280 nan 0.000 0.443 71 K N 5.114 125.175 120.400 -0.565 0.000 2.248 71 K HA 0.320 4.641 4.320 0.001 0.000 0.281 71 K C -1.103 175.137 176.600 -0.601 0.000 1.054 71 K CA -0.350 55.681 56.287 -0.426 0.000 0.903 71 K CB 0.711 33.054 32.500 -0.261 0.000 1.077 71 K HN 0.843 nan 8.250 nan 0.000 0.474 72 Q N 3.381 123.022 119.800 -0.265 0.000 2.292 72 Q HA 0.104 4.445 4.340 0.001 0.000 0.270 72 Q C -1.172 174.786 176.000 -0.070 0.000 1.024 72 Q CA -0.295 55.427 55.803 -0.136 0.000 0.768 72 Q CB 1.372 30.164 28.738 0.089 0.000 1.250 72 Q HN 0.714 nan 8.270 nan 0.000 0.447 73 E N 3.073 123.235 120.200 -0.063 0.000 2.320 73 E HA -0.371 3.980 4.350 0.001 0.000 0.234 73 E C -0.411 176.154 176.600 -0.058 0.000 1.183 73 E CA 0.458 56.832 56.400 -0.043 0.000 0.713 73 E CB -1.140 28.549 29.700 -0.019 0.000 1.226 73 E HN 0.861 nan 8.360 nan 0.000 0.382 74 N N -1.265 117.387 118.700 -0.081 0.000 2.815 74 N HA -0.171 4.570 4.740 0.001 0.000 0.247 74 N C -0.451 174.999 175.510 -0.100 0.000 1.030 74 N CA 1.315 54.315 53.050 -0.083 0.000 0.881 74 N CB -0.750 37.705 38.487 -0.054 0.000 1.134 74 N HN 0.429 nan 8.380 nan 0.000 0.582 75 N N 0.575 119.216 118.700 -0.098 0.000 2.466 75 N HA 0.479 5.220 4.740 0.001 0.000 0.294 75 N C 0.094 175.538 175.510 -0.109 0.000 1.129 75 N CA -0.244 52.751 53.050 -0.093 0.000 0.931 75 N CB 1.344 39.796 38.487 -0.058 0.000 1.193 75 N HN 0.086 nan 8.380 nan 0.000 0.500 76 I N 2.396 122.912 120.570 -0.091 0.000 2.355 76 I HA 0.325 4.496 4.170 0.001 0.000 0.288 76 I C -0.266 175.879 176.117 0.047 0.000 0.999 76 I CA -0.473 60.786 61.300 -0.067 0.000 1.163 76 I CB 1.008 38.920 38.000 -0.146 0.000 1.316 76 I HN 0.160 nan 8.210 nan 0.000 0.454 77 L N 6.492 127.765 121.223 0.082 0.000 2.322 77 L HA 0.660 5.001 4.340 0.001 0.000 0.269 77 L C -0.406 176.498 176.870 0.055 0.000 1.012 77 L CA -1.127 53.737 54.840 0.039 0.000 0.815 77 L CB 2.182 44.209 42.059 -0.053 0.000 1.295 77 L HN 0.272 nan 8.230 nan 0.000 0.438 78 V N 1.702 121.575 119.914 -0.068 0.000 2.417 78 V HA 0.505 4.626 4.120 0.001 0.000 0.291 78 V C -0.944 174.978 176.094 -0.286 0.000 1.024 78 V CA -0.188 62.065 62.300 -0.079 0.000 0.861 78 V CB 1.285 33.119 31.823 0.018 0.000 0.985 78 V HN 0.471 nan 8.190 nan 0.000 0.436 79 F N 5.476 125.136 119.950 -0.484 0.000 2.450 79 F HA 0.490 5.018 4.527 0.001 0.000 0.332 79 F C 0.570 176.047 175.800 -0.538 0.000 1.093 79 F CA -0.458 57.166 58.000 -0.626 0.000 1.003 79 F CB 1.576 39.848 39.000 -1.214 0.000 1.151 79 F HN 0.517 nan 8.300 nan 0.000 0.474 80 N N 2.081 120.700 118.700 -0.135 0.000 2.414 80 N HA 0.239 4.980 4.740 0.001 0.000 0.256 80 N C 0.426 175.881 175.510 -0.092 0.000 1.029 80 N CA 0.079 53.090 53.050 -0.065 0.000 0.948 80 N CB 1.788 40.313 38.487 0.063 0.000 1.102 80 N HN 0.812 nan 8.380 nan 0.000 0.496 81 A N 3.833 126.546 122.820 -0.179 0.000 1.902 81 A HA -0.188 4.133 4.320 0.001 0.000 0.217 81 A C 1.896 179.238 177.584 -0.403 0.000 1.181 81 A CA 1.673 53.508 52.037 -0.335 0.000 0.623 81 A CB -0.494 18.034 19.000 -0.787 0.000 0.818 81 A HN 0.836 nan 8.150 nan 0.000 0.443 82 E N -1.056 118.905 120.200 -0.399 0.000 2.058 82 E HA -0.195 4.156 4.350 0.001 0.000 0.194 82 E C 1.399 177.733 176.600 -0.443 0.000 0.997 82 E CA 1.964 58.125 56.400 -0.398 0.000 0.801 82 E CB -0.365 29.010 29.700 -0.542 0.000 0.746 82 E HN 0.770 nan 8.360 nan 0.000 0.450 83 Y N -2.451 117.854 120.300 0.009 0.000 2.444 83 Y HA 0.343 4.894 4.550 0.001 0.000 0.252 83 Y C 1.596 177.502 175.900 0.010 0.000 1.091 83 Y CA -0.062 58.045 58.100 0.012 0.000 1.276 83 Y CB 1.348 39.818 38.460 0.016 0.000 1.170 83 Y HN 0.225 nan 8.280 nan 0.000 0.517 84 G N 1.046 109.930 108.800 0.139 0.000 2.195 84 G HA2 -0.304 3.657 3.960 0.001 0.000 0.246 84 G HA3 -0.304 3.657 3.960 0.001 0.000 0.246 84 G C -0.031 174.963 174.900 0.157 0.000 0.984 84 G CA 0.111 45.301 45.100 0.149 0.000 0.633 84 G HN 0.433 nan 8.290 nan 0.000 0.525 85 N N 0.777 119.533 118.700 0.092 0.000 2.482 85 N HA 0.503 5.244 4.740 0.001 0.000 0.260 85 N C 0.121 175.529 175.510 -0.170 0.000 1.236 85 N CA 0.833 53.873 53.050 -0.016 0.000 0.938 85 N CB 1.455 39.937 38.487 -0.008 0.000 1.128 85 N HN 0.958 nan 8.380 nan 0.000 0.448 86 S N -0.272 115.241 115.700 -0.311 0.000 2.697 86 S HA 0.737 5.207 4.470 0.001 0.000 0.289 86 S C -0.898 173.507 174.600 -0.325 0.000 1.149 86 S CA -0.838 57.037 58.200 -0.542 0.000 0.850 86 S CB 1.696 64.140 63.200 -1.259 0.000 1.151 86 S HN 0.628 nan 8.310 nan 0.000 0.491 87 S N -0.125 115.398 115.700 -0.296 0.000 2.579 87 S HA 0.615 5.086 4.470 0.001 0.000 0.272 87 S C -0.951 173.572 174.600 -0.129 0.000 1.141 87 S CA -0.673 57.428 58.200 -0.165 0.000 0.843 87 S CB 1.656 64.794 63.200 -0.103 0.000 1.122 87 S HN 0.746 nan 8.310 nan 0.000 0.468 88 V N 2.799 122.657 119.914 -0.092 0.000 2.614 88 V HA 0.234 4.355 4.120 0.001 0.000 0.291 88 V C 0.283 176.369 176.094 -0.014 0.000 1.049 88 V CA 0.385 62.654 62.300 -0.053 0.000 1.038 88 V CB 0.702 32.482 31.823 -0.071 0.000 0.980 88 V HN 0.957 nan 8.190 nan 0.000 0.481 89 F N 4.617 124.508 119.950 -0.099 0.000 2.602 89 F HA 0.519 5.046 4.527 0.001 0.000 0.284 89 F C 0.145 175.897 175.800 -0.080 0.000 1.111 89 F CA 0.201 58.153 58.000 -0.079 0.000 1.405 89 F CB 0.722 39.688 39.000 -0.057 0.000 1.121 89 F HN 0.360 nan 8.300 nan 0.000 0.603 90 L N 1.108 122.375 121.223 0.074 0.000 2.543 90 L HA 0.330 4.671 4.340 0.001 0.000 0.265 90 L C -1.036 175.782 176.870 -0.088 0.000 0.945 90 L CA -0.480 54.342 54.840 -0.029 0.000 0.869 90 L CB 1.493 43.593 42.059 0.069 0.000 1.294 90 L HN -0.192 nan 8.230 nan 0.000 0.405 91 E N 3.210 123.321 120.200 -0.149 0.000 2.344 91 E HA 0.063 4.414 4.350 0.001 0.000 0.270 91 E C 0.616 177.127 176.600 -0.149 0.000 1.021 91 E CA -0.019 56.294 56.400 -0.145 0.000 0.887 91 E CB 0.852 30.454 29.700 -0.164 0.000 0.997 91 E HN 0.659 nan 8.360 nan 0.000 0.429 92 N N 1.359 119.997 118.700 -0.104 0.000 2.430 92 N HA -0.173 4.567 4.740 0.001 0.000 0.186 92 N C 1.038 176.504 175.510 -0.073 0.000 1.032 92 N CA 1.165 54.168 53.050 -0.079 0.000 0.893 92 N CB -0.031 38.418 38.487 -0.063 0.000 0.957 92 N HN 0.256 nan 8.380 nan 0.000 0.442 93 S N -1.939 113.697 115.700 -0.107 0.000 2.539 93 S HA 0.140 4.610 4.470 0.001 0.000 0.221 93 S C 1.337 175.826 174.600 -0.185 0.000 0.987 93 S CA -0.260 57.877 58.200 -0.103 0.000 0.929 93 S CB -0.150 62.999 63.200 -0.084 0.000 0.832 93 S HN 0.139 nan 8.310 nan 0.000 0.492 94 T N 1.873 116.229 114.554 -0.330 0.000 2.759 94 T HA 0.014 4.365 4.350 0.001 0.000 0.269 94 T C 0.238 174.490 174.700 -0.748 0.000 1.042 94 T CA 1.332 63.066 62.100 -0.611 0.000 1.140 94 T CB -0.452 67.856 68.868 -0.933 0.000 0.864 94 T HN 0.575 nan 8.240 nan 0.000 0.455 95 F N 0.896 120.743 119.950 -0.172 0.000 2.750 95 F HA 0.349 4.877 4.527 0.001 0.000 0.297 95 F C 1.240 177.034 175.800 -0.009 0.000 1.138 95 F CA -1.258 56.679 58.000 -0.106 0.000 1.346 95 F CB -0.279 38.594 39.000 -0.211 0.000 0.965 95 F HN -0.037 nan 8.300 nan 0.000 0.514 96 D N 1.152 121.575 120.400 0.038 0.000 2.271 96 D HA -0.177 4.464 4.640 0.001 0.000 0.207 96 D C 0.833 177.167 176.300 0.055 0.000 0.983 96 D CA 1.463 55.483 54.000 0.032 0.000 0.878 96 D CB 0.141 40.930 40.800 -0.018 0.000 0.920 96 D HN 0.419 nan 8.370 nan 0.000 0.479 97 E N -1.352 118.897 120.200 0.082 0.000 3.157 97 E HA 0.059 4.410 4.350 0.001 0.000 0.203 97 E C 0.264 176.923 176.600 0.098 0.000 0.982 97 E CA -0.350 56.084 56.400 0.057 0.000 1.217 97 E CB 0.214 29.927 29.700 0.022 0.000 1.123 97 E HN 0.164 nan 8.360 nan 0.000 0.457 98 F N 1.025 120.986 119.950 0.018 0.000 2.325 98 F HA 0.060 4.588 4.527 0.001 0.000 0.299 98 F C 1.560 177.296 175.800 -0.106 0.000 1.090 98 F CA 1.933 59.935 58.000 0.004 0.000 1.392 98 F CB 0.235 39.240 39.000 0.010 0.000 1.053 98 F HN 0.256 nan 8.300 nan 0.000 0.521 99 G N -0.775 107.834 108.800 -0.318 0.000 4.391 99 G HA2 -0.235 3.725 3.960 0.001 0.000 0.210 99 G HA3 -0.235 3.725 3.960 0.001 0.000 0.210 99 G C 0.304 174.894 174.900 -0.516 0.000 1.547 99 G CA 0.041 44.822 45.100 -0.532 0.000 1.103 99 G HN 0.481 nan 8.290 nan 0.000 0.637 100 H N 1.071 119.866 119.070 -0.459 0.000 2.603 100 H HA 0.555 5.111 4.556 0.001 0.000 0.370 100 H C 0.240 175.590 175.328 0.036 0.000 1.225 100 H CA 0.719 56.647 56.048 -0.201 0.000 1.410 100 H CB 1.263 30.802 29.762 -0.372 0.000 1.495 100 H HN 0.352 nan 8.280 nan 0.000 0.602 101 S N 1.619 117.440 115.700 0.201 0.000 2.439 101 S HA 0.207 4.678 4.470 0.001 0.000 0.282 101 S C 0.283 174.989 174.600 0.178 0.000 1.170 101 S CA -0.820 57.471 58.200 0.153 0.000 1.054 101 S CB -0.709 62.551 63.200 0.101 0.000 0.956 101 S HN 0.349 nan 8.310 nan 0.000 0.490 102 I N 5.614 126.256 120.570 0.121 0.000 2.505 102 I HA 0.083 4.254 4.170 0.001 0.000 0.287 102 I C 1.483 177.620 176.117 0.033 0.000 1.104 102 I CA -0.272 61.058 61.300 0.050 0.000 1.387 102 I CB 0.449 38.391 38.000 -0.098 0.000 1.404 102 I HN 0.691 nan 8.210 nan 0.000 0.528 103 N N 3.850 122.569 118.700 0.032 0.000 2.207 103 N HA -0.074 4.667 4.740 0.001 0.000 0.182 103 N C -0.019 175.464 175.510 -0.044 0.000 1.020 103 N CA 1.174 54.196 53.050 -0.045 0.000 0.858 103 N CB 0.370 38.801 38.487 -0.094 0.000 0.991 103 N HN 0.719 nan 8.380 nan 0.000 0.427 104 D N -2.856 117.544 120.400 -0.000 0.000 2.671 104 D HA 0.176 4.817 4.640 0.001 0.000 0.273 104 D C -1.631 174.729 176.300 0.100 0.000 1.264 104 D CA -0.591 53.431 54.000 0.036 0.000 0.788 104 D CB 0.589 41.368 40.800 -0.035 0.000 1.324 104 D HN 0.077 nan 8.370 nan 0.000 0.424 105 Y N -0.902 119.408 120.300 0.016 0.000 2.633 105 Y HA 0.820 5.371 4.550 0.001 0.000 0.339 105 Y C -0.890 175.079 175.900 0.115 0.000 1.045 105 Y CA -1.128 56.999 58.100 0.045 0.000 1.098 105 Y CB 1.788 40.264 38.460 0.027 0.000 1.296 105 Y HN 0.178 nan 8.280 nan 0.000 0.494 106 S N 1.716 117.542 115.700 0.210 0.000 2.545 106 S HA 0.485 4.956 4.470 0.001 0.000 0.259 106 S C -1.716 173.195 174.600 0.519 0.000 1.092 106 S CA -0.492 57.833 58.200 0.208 0.000 1.054 106 S CB -0.176 63.128 63.200 0.173 0.000 1.146 106 S HN 0.653 nan 8.310 nan 0.000 0.447 107 I N 4.469 125.270 120.570 0.384 0.000 2.474 107 I HA 0.277 4.448 4.170 0.001 0.000 0.287 107 I C 1.081 177.158 176.117 -0.067 0.000 1.048 107 I CA 0.196 61.646 61.300 0.250 0.000 1.383 107 I CB 1.545 39.617 38.000 0.120 0.000 1.412 107 I HN 0.738 nan 8.210 nan 0.000 0.531 108 S N 5.873 121.241 115.700 -0.554 0.000 2.573 108 S HA 0.177 4.647 4.470 0.001 0.000 0.277 108 S C -1.815 172.493 174.600 -0.487 0.000 1.346 108 S CA -0.879 56.516 58.200 -1.341 0.000 1.034 108 S CB 0.369 62.643 63.200 -1.543 0.000 0.879 108 S HN 0.451 nan 8.310 nan 0.000 0.528 109 P HA -0.138 nan 4.420 nan 0.000 0.217 109 P C 0.601 177.859 177.300 -0.070 0.000 1.148 109 P CA 1.571 64.597 63.100 -0.124 0.000 0.828 109 P CB -0.190 31.460 31.700 -0.084 0.000 0.783 110 D N -2.262 118.091 120.400 -0.079 0.000 2.328 110 D HA 0.120 4.760 4.640 0.001 0.000 0.226 110 D C 1.383 177.682 176.300 -0.001 0.000 1.066 110 D CA 0.349 54.343 54.000 -0.008 0.000 0.861 110 D CB -1.205 39.620 40.800 0.041 0.000 0.912 110 D HN 0.167 nan 8.370 nan 0.000 0.521 111 G N 0.391 109.188 108.800 -0.005 0.000 2.186 111 G HA2 -0.439 3.522 3.960 0.001 0.000 0.266 111 G HA3 -0.439 3.522 3.960 0.001 0.000 0.266 111 G C 0.981 175.923 174.900 0.070 0.000 0.982 111 G CA 0.774 45.956 45.100 0.136 0.000 0.670 111 G HN 0.481 nan 8.290 nan 0.000 0.533 112 Q N -1.669 118.059 119.800 -0.120 0.000 2.269 112 Q HA 0.349 4.690 4.340 0.001 0.000 0.201 112 Q C 0.436 175.995 176.000 -0.735 0.000 0.946 112 Q CA 0.655 56.199 55.803 -0.433 0.000 0.877 112 Q CB 0.319 28.720 28.738 -0.562 0.000 0.963 112 Q HN 0.598 nan 8.270 nan 0.000 0.472 113 F N -0.773 119.120 119.950 -0.095 0.000 2.640 113 F HA 0.556 5.084 4.527 0.001 0.000 0.324 113 F C -0.639 175.285 175.800 0.207 0.000 1.077 113 F CA -1.240 56.791 58.000 0.052 0.000 0.965 113 F CB 1.775 40.812 39.000 0.062 0.000 1.351 113 F HN -0.233 nan 8.300 nan 0.000 0.487 114 I N 2.285 123.231 120.570 0.626 0.000 2.571 114 I HA 0.433 4.604 4.170 0.001 0.000 0.289 114 I C -1.976 174.475 176.117 0.557 0.000 1.115 114 I CA -0.919 60.735 61.300 0.591 0.000 1.045 114 I CB 1.520 39.817 38.000 0.495 0.000 1.238 114 I HN 0.519 nan 8.210 nan 0.000 0.424 115 L N 8.209 129.758 121.223 0.543 0.000 2.290 115 L HA 0.507 4.848 4.340 0.001 0.000 0.284 115 L C -1.225 175.766 176.870 0.202 0.000 1.078 115 L CA 0.059 55.066 54.840 0.279 0.000 0.815 115 L CB 1.014 43.099 42.059 0.043 0.000 1.162 115 L HN 0.489 nan 8.230 nan 0.000 0.435 116 L N 5.060 126.344 121.223 0.103 0.000 2.296 116 L HA 0.509 4.850 4.340 0.001 0.000 0.286 116 L C -0.134 176.784 176.870 0.079 0.000 1.023 116 L CA -0.476 54.332 54.840 -0.054 0.000 0.812 116 L CB 1.558 43.331 42.059 -0.477 0.000 1.223 116 L HN 0.619 nan 8.230 nan 0.000 0.421 117 E N 3.775 123.990 120.200 0.025 0.000 2.175 117 E HA 0.494 4.845 4.350 0.001 0.000 0.278 117 E C -1.647 174.956 176.600 0.005 0.000 0.969 117 E CA -0.487 55.802 56.400 -0.186 0.000 0.796 117 E CB 1.232 30.874 29.700 -0.098 0.000 1.104 117 E HN 0.448 nan 8.360 nan 0.000 0.395 118 Y N 1.440 121.565 120.300 -0.292 0.000 2.705 118 Y HA 0.424 4.975 4.550 0.001 0.000 0.332 118 Y C -0.264 175.561 175.900 -0.125 0.000 1.221 118 Y CA -1.606 56.422 58.100 -0.120 0.000 1.059 118 Y CB 0.458 38.922 38.460 0.006 0.000 1.298 118 Y HN 0.541 nan 8.280 nan 0.000 0.459 119 N N -0.322 118.406 118.700 0.048 0.000 2.754 119 N HA -0.293 4.448 4.740 0.001 0.000 0.248 119 N C -0.929 174.550 175.510 -0.051 0.000 1.093 119 N CA 0.995 54.018 53.050 -0.045 0.000 0.699 119 N CB -1.499 36.852 38.487 -0.228 0.000 1.016 119 N HN 0.886 nan 8.380 nan 0.000 0.552 120 Y N 0.218 120.441 120.300 -0.128 0.000 2.620 120 Y HA 0.244 4.795 4.550 0.001 0.000 0.330 120 Y C 0.086 175.934 175.900 -0.086 0.000 1.186 120 Y CA 0.129 58.140 58.100 -0.149 0.000 1.467 120 Y CB 0.660 38.986 38.460 -0.222 0.000 1.262 120 Y HN -0.019 nan 8.280 nan 0.000 0.550 121 V N 7.978 127.542 119.914 -0.584 0.000 2.482 121 V HA 0.211 4.331 4.120 0.001 0.000 0.295 121 V C -0.337 175.367 176.094 -0.650 0.000 1.026 121 V CA -1.394 60.645 62.300 -0.435 0.000 0.856 121 V CB 1.406 33.102 31.823 -0.211 0.000 1.001 121 V HN 0.758 nan 8.190 nan 0.000 0.424 122 K N 3.613 123.682 120.400 -0.552 0.000 2.295 122 K HA 0.300 4.621 4.320 0.001 0.000 0.270 122 K C 0.338 176.797 176.600 -0.236 0.000 1.011 122 K CA 0.111 56.207 56.287 -0.319 0.000 0.953 122 K CB 1.271 33.789 32.500 0.030 0.000 0.956 122 K HN 0.820 nan 8.250 nan 0.000 0.477 123 Q N 2.493 122.135 119.800 -0.264 0.000 2.653 123 Q HA 0.183 4.523 4.340 0.001 0.000 0.212 123 Q C -0.035 175.734 176.000 -0.385 0.000 0.951 123 Q CA -0.455 55.003 55.803 -0.574 0.000 0.535 123 Q CB 0.172 28.398 28.738 -0.853 0.000 3.737 123 Q HN 0.728 nan 8.270 nan 0.000 0.401 124 W N 0.257 121.560 121.300 0.006 0.000 1.756 124 W HA 0.318 4.978 4.660 0.001 0.000 0.638 124 W C 1.837 178.344 176.519 -0.022 0.000 1.472 124 W CA -0.492 56.879 57.345 0.044 0.000 1.437 124 W CB -0.197 29.247 29.460 -0.028 0.000 3.368 124 W HN 0.337 nan 8.180 nan 0.000 0.771 125 R N -0.634 119.959 120.500 0.156 0.000 2.092 125 R HA -0.135 4.206 4.340 0.001 0.000 0.231 125 R C 1.695 177.804 176.300 -0.319 0.000 1.119 125 R CA 1.967 57.970 56.100 -0.161 0.000 0.970 125 R CB -0.451 29.610 30.300 -0.399 0.000 0.864 125 R HN 0.461 nan 8.270 nan 0.000 0.440 126 H N -1.219 117.918 119.070 0.111 0.000 2.927 126 H HA 0.218 4.775 4.556 0.001 0.000 0.255 126 H C 0.390 175.785 175.328 0.111 0.000 0.974 126 H CA 0.501 56.630 56.048 0.135 0.000 1.199 126 H CB 0.239 30.051 29.762 0.084 0.000 1.447 126 H HN 0.217 nan 8.280 nan 0.000 0.467 127 S N 1.293 116.966 115.700 -0.046 0.000 2.592 127 S HA 0.387 4.858 4.470 0.001 0.000 0.271 127 S C -0.316 174.161 174.600 -0.205 0.000 1.326 127 S CA -0.436 57.460 58.200 -0.505 0.000 1.024 127 S CB 0.783 63.091 63.200 -1.487 0.000 0.921 127 S HN 0.436 nan 8.310 nan 0.000 0.527 128 Y N -2.324 117.852 120.300 -0.207 0.000 2.732 128 Y HA 0.622 5.173 4.550 0.001 0.000 0.342 128 Y C -0.777 175.111 175.900 -0.019 0.000 1.203 128 Y CA -0.839 57.126 58.100 -0.224 0.000 1.092 128 Y CB 0.403 38.643 38.460 -0.367 0.000 1.345 128 Y HN 0.910 nan 8.280 nan 0.000 0.458 129 T N 0.012 114.641 114.554 0.125 0.000 2.950 129 T HA 1.029 5.379 4.350 0.001 0.000 0.288 129 T C -0.403 174.388 174.700 0.152 0.000 1.035 129 T CA -0.114 62.072 62.100 0.143 0.000 1.028 129 T CB 1.767 70.661 68.868 0.043 0.000 1.109 129 T HN 1.953 nan 8.240 nan 0.000 0.514 130 A N 0.767 123.646 122.820 0.098 0.000 2.540 130 A HA 0.750 5.071 4.320 0.001 0.000 0.291 130 A C -0.721 176.656 177.584 -0.347 0.000 1.083 130 A CA -0.996 50.951 52.037 -0.151 0.000 0.650 130 A CB 0.963 19.855 19.000 -0.180 0.000 1.292 130 A HN 0.879 nan 8.150 nan 0.000 0.435 131 S N -0.571 114.681 115.700 -0.747 0.000 2.549 131 S HA 0.806 5.277 4.470 0.001 0.000 0.297 131 S C -1.427 172.507 174.600 -1.111 0.000 1.115 131 S CA -0.108 57.566 58.200 -0.876 0.000 1.059 131 S CB 0.727 63.147 63.200 -1.300 0.000 1.046 131 S HN 0.456 nan 8.310 nan 0.000 0.506 132 Y N 0.210 120.296 120.300 -0.357 0.000 2.576 132 Y HA 0.608 5.159 4.550 0.001 0.000 0.346 132 Y C -0.123 175.831 175.900 0.090 0.000 1.018 132 Y CA -0.893 57.149 58.100 -0.097 0.000 1.050 132 Y CB 1.739 40.078 38.460 -0.201 0.000 1.280 132 Y HN 0.488 nan 8.280 nan 0.000 0.474 133 D N 1.119 121.701 120.400 0.304 0.000 2.753 133 D HA 0.487 5.128 4.640 0.001 0.000 0.224 133 D C -1.264 175.140 176.300 0.172 0.000 1.213 133 D CA -0.332 53.810 54.000 0.237 0.000 0.833 133 D CB 2.673 43.674 40.800 0.334 0.000 1.607 133 D HN 0.393 nan 8.370 nan 0.000 0.463 134 I N 1.860 122.541 120.570 0.186 0.000 2.404 134 I HA 0.292 4.463 4.170 0.001 0.000 0.293 134 I C -0.946 175.392 176.117 0.368 0.000 0.992 134 I CA -0.949 60.510 61.300 0.264 0.000 1.149 134 I CB 1.598 39.724 38.000 0.210 0.000 1.315 134 I HN 0.241 nan 8.210 nan 0.000 0.446 135 Y N 5.564 126.044 120.300 0.299 0.000 2.341 135 Y HA 0.288 4.839 4.550 0.001 0.000 0.338 135 Y C -0.233 175.862 175.900 0.325 0.000 0.965 135 Y CA -0.733 57.554 58.100 0.312 0.000 1.108 135 Y CB 1.163 39.857 38.460 0.389 0.000 1.180 135 Y HN 0.493 nan 8.280 nan 0.000 0.458 136 D N 6.452 126.731 120.400 -0.202 0.000 2.339 136 D HA 0.077 4.718 4.640 0.001 0.000 0.256 136 D C 0.724 176.678 176.300 -0.576 0.000 1.214 136 D CA 0.327 54.141 54.000 -0.310 0.000 0.877 136 D CB 1.048 41.725 40.800 -0.205 0.000 1.111 136 D HN 0.890 nan 8.370 nan 0.000 0.478 137 L N 3.712 124.709 121.223 -0.377 0.000 2.217 137 L HA -0.114 4.226 4.340 0.001 0.000 0.211 137 L C 2.086 178.787 176.870 -0.283 0.000 1.107 137 L CA 0.393 55.105 54.840 -0.214 0.000 0.783 137 L CB -0.260 41.719 42.059 -0.133 0.000 0.919 137 L HN 0.376 nan 8.230 nan 0.000 0.442 138 N N 1.404 119.890 118.700 -0.358 0.000 2.092 138 N HA -0.158 4.583 4.740 0.001 0.000 0.189 138 N C 1.492 176.868 175.510 -0.224 0.000 1.040 138 N CA 1.353 54.239 53.050 -0.275 0.000 0.845 138 N CB -0.235 38.082 38.487 -0.284 0.000 1.017 138 N HN 0.440 nan 8.380 nan 0.000 0.426 139 K N 1.321 121.577 120.400 -0.240 0.000 2.504 139 K HA 0.175 4.496 4.320 0.001 0.000 0.199 139 K C -0.299 176.172 176.600 -0.215 0.000 1.028 139 K CA -0.221 55.956 56.287 -0.182 0.000 1.164 139 K CB 0.275 32.692 32.500 -0.139 0.000 0.877 139 K HN -0.159 nan 8.250 nan 0.000 0.508 140 R N 1.346 121.675 120.500 -0.285 0.000 3.266 140 R HA -0.169 4.171 4.340 0.001 0.000 0.245 140 R C -0.807 175.288 176.300 -0.342 0.000 0.941 140 R CA 0.941 56.872 56.100 -0.282 0.000 0.638 140 R CB -1.828 28.434 30.300 -0.063 0.000 1.019 140 R HN 0.604 nan 8.270 nan 0.000 0.462 141 Q N -0.203 119.248 119.800 -0.582 0.000 2.423 141 Q HA 0.430 4.771 4.340 0.001 0.000 0.278 141 Q C -0.549 175.294 176.000 -0.261 0.000 1.097 141 Q CA -1.220 54.420 55.803 -0.271 0.000 0.809 141 Q CB 2.165 30.837 28.738 -0.110 0.000 1.391 141 Q HN 0.112 nan 8.270 nan 0.000 0.428 142 L N 2.504 123.806 121.223 0.131 0.000 2.255 142 L HA 0.379 4.720 4.340 0.001 0.000 0.289 142 L C -0.362 176.617 176.870 0.181 0.000 1.046 142 L CA -0.035 54.985 54.840 0.300 0.000 0.816 142 L CB 0.390 42.714 42.059 0.441 0.000 1.197 142 L HN 0.539 nan 8.230 nan 0.000 0.427 143 I N 4.250 124.920 120.570 0.167 0.000 2.741 143 I HA -0.037 4.134 4.170 0.001 0.000 0.288 143 I C 1.255 177.436 176.117 0.107 0.000 1.192 143 I CA 0.651 62.024 61.300 0.121 0.000 1.426 143 I CB 0.436 38.508 38.000 0.120 0.000 1.367 143 I HN 0.784 nan 8.210 nan 0.000 0.563 144 T N 1.232 115.831 114.554 0.075 0.000 2.985 144 T HA 0.165 4.516 4.350 0.001 0.000 0.254 144 T C 0.429 175.144 174.700 0.025 0.000 1.021 144 T CA -0.457 61.678 62.100 0.057 0.000 0.957 144 T CB 0.037 68.938 68.868 0.054 0.000 1.047 144 T HN 0.664 nan 8.240 nan 0.000 0.511 145 E N 1.450 121.660 120.200 0.017 0.000 2.250 145 E HA 0.427 4.778 4.350 0.001 0.000 0.269 145 E C -0.613 175.972 176.600 -0.025 0.000 1.018 145 E CA -1.052 55.346 56.400 -0.004 0.000 0.873 145 E CB 0.530 30.230 29.700 0.001 0.000 1.134 145 E HN -0.028 nan 8.360 nan 0.000 0.403 146 E N 0.884 121.055 120.200 -0.048 0.000 2.165 146 E HA -0.250 4.101 4.350 0.001 0.000 0.203 146 E C -0.636 175.903 176.600 -0.103 0.000 1.335 146 E CA 0.894 57.248 56.400 -0.076 0.000 0.708 146 E CB -1.553 28.111 29.700 -0.060 0.000 1.105 146 E HN 0.582 nan 8.360 nan 0.000 0.346 147 R N -0.686 119.742 120.500 -0.120 0.000 2.500 147 R HA 0.556 4.897 4.340 0.001 0.000 0.275 147 R C 0.560 176.681 176.300 -0.299 0.000 1.051 147 R CA -1.015 54.993 56.100 -0.153 0.000 1.088 147 R CB 0.606 30.857 30.300 -0.081 0.000 1.063 147 R HN -0.122 nan 8.270 nan 0.000 0.511 148 I N 2.833 123.168 120.570 -0.392 0.000 2.919 148 I HA -0.059 4.112 4.170 0.001 0.000 0.303 148 I C -1.781 173.995 176.117 -0.569 0.000 1.221 148 I CA -0.846 60.029 61.300 -0.708 0.000 1.444 148 I CB -0.173 37.420 38.000 -0.678 0.000 1.331 148 I HN 0.566 nan 8.210 nan 0.000 0.572 149 P HA 0.067 nan 4.420 nan 0.000 0.271 149 P C -0.646 176.443 177.300 -0.351 0.000 1.244 149 P CA -0.323 62.358 63.100 -0.698 0.000 0.793 149 P CB 0.430 31.219 31.700 -1.518 0.000 0.984 150 N N 1.826 120.430 118.700 -0.160 0.000 2.515 150 N HA 0.107 4.848 4.740 0.001 0.000 0.279 150 N C 0.071 175.681 175.510 0.167 0.000 1.164 150 N CA -0.007 53.018 53.050 -0.042 0.000 0.982 150 N CB 0.029 38.490 38.487 -0.043 0.000 1.170 150 N HN 0.407 nan 8.380 nan 0.000 0.474 151 N N -0.302 118.447 118.700 0.082 0.000 2.780 151 N HA -0.145 4.596 4.740 0.001 0.000 0.248 151 N C -0.861 174.798 175.510 0.248 0.000 1.102 151 N CA 0.639 53.765 53.050 0.126 0.000 0.697 151 N CB -1.542 37.012 38.487 0.112 0.000 1.028 151 N HN 0.470 nan 8.380 nan 0.000 0.554 152 T N 0.845 115.550 114.554 0.251 0.000 2.870 152 T HA 0.121 4.472 4.350 0.001 0.000 0.300 152 T C 1.706 176.550 174.700 0.240 0.000 0.989 152 T CA 0.090 62.364 62.100 0.291 0.000 1.139 152 T CB 1.159 70.121 68.868 0.156 0.000 0.920 152 T HN 0.160 nan 8.240 nan 0.000 0.537 153 Q N 1.916 121.837 119.800 0.202 0.000 2.354 153 Q HA 0.151 4.491 4.340 0.001 0.000 0.203 153 Q C 0.132 176.233 176.000 0.168 0.000 0.933 153 Q CA 0.386 56.297 55.803 0.180 0.000 0.901 153 Q CB 0.745 29.517 28.738 0.056 0.000 1.007 153 Q HN 0.697 nan 8.270 nan 0.000 0.495 154 W N -0.588 120.635 121.300 -0.129 0.000 3.700 154 W HA 0.447 5.107 4.660 0.001 0.000 0.279 154 W C -2.408 173.997 176.519 -0.190 0.000 1.270 154 W CA -0.673 56.551 57.345 -0.200 0.000 1.216 154 W CB 0.949 30.223 29.460 -0.310 0.000 1.292 154 W HN -0.282 nan 8.180 nan 0.000 0.557 155 V N 3.960 123.093 119.914 -1.302 0.000 3.087 155 V HA 0.857 4.977 4.120 0.001 0.000 0.306 155 V C -1.503 173.877 176.094 -1.191 0.000 1.187 155 V CA -0.062 61.634 62.300 -1.007 0.000 0.999 155 V CB 2.368 33.563 31.823 -1.047 0.000 1.049 155 V HN 0.661 nan 8.190 nan 0.000 0.431 156 T N 4.351 118.550 114.554 -0.592 0.000 3.087 156 T HA 0.437 4.788 4.350 0.001 0.000 0.351 156 T C -1.442 173.268 174.700 0.016 0.000 1.520 156 T CA -0.328 61.611 62.100 -0.268 0.000 1.111 156 T CB 0.732 69.665 68.868 0.108 0.000 1.353 156 T HN 0.719 nan 8.240 nan 0.000 0.481 157 W N 2.909 124.232 121.300 0.038 0.000 2.093 157 W HA 0.460 5.121 4.660 0.001 0.000 0.352 157 W C 1.239 177.636 176.519 -0.204 0.000 1.294 157 W CA -0.616 56.715 57.345 -0.023 0.000 1.290 157 W CB 0.592 30.031 29.460 -0.035 0.000 1.149 157 W HN 0.794 nan 8.180 nan 0.000 0.606 158 S N 1.680 117.172 115.700 -0.348 0.000 2.603 158 S HA 0.142 4.612 4.470 0.001 0.000 0.268 158 S C -1.414 172.855 174.600 -0.552 0.000 1.317 158 S CA -1.092 56.262 58.200 -1.410 0.000 1.012 158 S CB 0.998 63.286 63.200 -1.520 0.000 0.926 158 S HN 0.385 nan 8.310 nan 0.000 0.539 159 P HA -0.039 nan 4.420 nan 0.000 0.218 159 P C 0.102 177.337 177.300 -0.109 0.000 1.148 159 P CA 0.911 63.936 63.100 -0.125 0.000 0.822 159 P CB -0.006 31.668 31.700 -0.043 0.000 0.784 160 V N -1.644 118.158 119.914 -0.186 0.000 3.001 160 V HA 0.627 4.748 4.120 0.001 0.000 0.314 160 V C 0.981 176.977 176.094 -0.164 0.000 1.099 160 V CA 0.067 62.291 62.300 -0.126 0.000 0.989 160 V CB 0.904 32.669 31.823 -0.096 0.000 1.040 160 V HN 0.467 nan 8.190 nan 0.000 0.434 161 G N 2.289 111.036 108.800 -0.089 0.000 2.556 161 G HA2 -0.224 3.737 3.960 0.001 0.000 0.283 161 G HA3 -0.224 3.737 3.960 0.001 0.000 0.283 161 G C 0.151 175.032 174.900 -0.031 0.000 1.177 161 G CA 0.672 45.744 45.100 -0.047 0.000 0.978 161 G HN 1.879 nan 8.290 nan 0.000 0.554 162 H N -0.189 118.811 119.070 -0.117 0.000 3.233 162 H HA 0.411 4.968 4.556 0.001 0.000 0.232 162 H C 0.174 175.581 175.328 0.133 0.000 1.322 162 H CA -0.005 55.974 56.048 -0.115 0.000 1.043 162 H CB -0.524 29.148 29.762 -0.150 0.000 2.572 162 H HN 0.584 nan 8.280 nan 0.000 0.597 163 K N 1.430 121.793 120.400 -0.061 0.000 2.126 163 K HA 0.566 4.887 4.320 0.001 0.000 0.257 163 K C -0.271 176.481 176.600 0.253 0.000 1.007 163 K CA -0.549 55.755 56.287 0.029 0.000 0.928 163 K CB 1.786 34.217 32.500 -0.116 0.000 1.013 163 K HN 0.075 nan 8.250 nan 0.000 0.473 164 L N 0.657 122.045 121.223 0.274 0.000 2.354 164 L HA 0.649 4.989 4.340 0.001 0.000 0.264 164 L C -0.972 176.095 176.870 0.328 0.000 1.008 164 L CA -0.917 54.046 54.840 0.206 0.000 0.819 164 L CB 2.172 44.203 42.059 -0.046 0.000 1.339 164 L HN 0.722 nan 8.230 nan 0.000 0.420 165 A N 2.020 124.986 122.820 0.243 0.000 2.381 165 A HA 0.778 5.098 4.320 0.001 0.000 0.299 165 A C -1.666 175.911 177.584 -0.011 0.000 1.049 165 A CA -0.381 51.684 52.037 0.045 0.000 0.715 165 A CB 1.150 20.081 19.000 -0.116 0.000 1.222 165 A HN 0.641 nan 8.150 nan 0.000 0.428 166 Y N -0.369 119.863 120.300 -0.114 0.000 2.588 166 Y HA 0.808 5.359 4.550 0.001 0.000 0.343 166 Y C -1.188 174.707 175.900 -0.008 0.000 1.065 166 Y CA -1.584 56.427 58.100 -0.149 0.000 1.038 166 Y CB 1.254 39.559 38.460 -0.259 0.000 1.297 166 Y HN 0.405 nan 8.280 nan 0.000 0.467 167 V N 2.069 122.089 119.914 0.176 0.000 2.495 167 V HA 0.418 4.538 4.120 0.001 0.000 0.298 167 V C -1.439 174.850 176.094 0.325 0.000 1.031 167 V CA -0.658 61.732 62.300 0.150 0.000 0.871 167 V CB 1.498 33.325 31.823 0.006 0.000 0.988 167 V HN 0.895 nan 8.190 nan 0.000 0.432 168 W N 4.258 125.626 121.300 0.112 0.000 3.129 168 W HA 0.455 5.115 4.660 0.001 0.000 0.333 168 W C 0.291 176.845 176.519 0.057 0.000 1.141 168 W CA -0.805 56.578 57.345 0.063 0.000 1.224 168 W CB 1.323 30.778 29.460 -0.008 0.000 1.393 168 W HN 0.775 nan 8.180 nan 0.000 0.499 169 N N 5.245 123.621 118.700 -0.539 0.000 2.708 169 N HA -0.371 4.370 4.740 0.001 0.000 0.251 169 N C 0.169 175.540 175.510 -0.232 0.000 1.017 169 N CA 1.106 53.839 53.050 -0.529 0.000 0.742 169 N CB -1.023 36.958 38.487 -0.843 0.000 0.943 169 N HN 0.782 nan 8.380 nan 0.000 0.539 170 N N -2.268 116.349 118.700 -0.137 0.000 2.863 170 N HA -0.175 4.566 4.740 0.001 0.000 0.245 170 N C -1.199 174.257 175.510 -0.090 0.000 1.001 170 N CA 1.099 54.085 53.050 -0.106 0.000 0.901 170 N CB -0.366 38.017 38.487 -0.172 0.000 1.124 170 N HN 0.464 nan 8.380 nan 0.000 0.582 171 D N 0.500 120.868 120.400 -0.052 0.000 2.350 171 D HA 0.499 5.139 4.640 0.001 0.000 0.238 171 D C 0.183 176.356 176.300 -0.212 0.000 0.989 171 D CA -0.365 53.530 54.000 -0.174 0.000 0.921 171 D CB 1.666 42.314 40.800 -0.254 0.000 1.297 171 D HN 0.017 nan 8.370 nan 0.000 0.490 172 I N 1.695 121.969 120.570 -0.493 0.000 2.385 172 I HA 0.240 4.410 4.170 0.001 0.000 0.294 172 I C -0.726 174.939 176.117 -0.752 0.000 0.988 172 I CA -0.486 60.495 61.300 -0.532 0.000 1.265 172 I CB 0.588 38.170 38.000 -0.697 0.000 1.388 172 I HN 0.162 nan 8.210 nan 0.000 0.480 173 Y N 4.250 124.150 120.300 -0.667 0.000 2.536 173 Y HA 0.681 5.231 4.550 0.001 0.000 0.347 173 Y C -0.288 175.267 175.900 -0.575 0.000 1.000 173 Y CA -0.981 56.683 58.100 -0.726 0.000 1.051 173 Y CB 2.077 39.793 38.460 -1.240 0.000 1.259 173 Y HN 0.111 nan 8.280 nan 0.000 0.468 174 V N 2.144 121.988 119.914 -0.117 0.000 2.686 174 V HA 0.470 4.590 4.120 0.001 0.000 0.306 174 V C -1.080 175.147 176.094 0.222 0.000 1.065 174 V CA -1.461 60.868 62.300 0.049 0.000 0.894 174 V CB 2.134 33.991 31.823 0.058 0.000 1.004 174 V HN 0.618 nan 8.190 nan 0.000 0.424 175 K N 4.323 124.857 120.400 0.224 0.000 2.450 175 K HA 0.512 4.833 4.320 0.001 0.000 0.257 175 K C 0.367 177.084 176.600 0.195 0.000 0.953 175 K CA -0.740 55.673 56.287 0.210 0.000 0.844 175 K CB 1.841 34.428 32.500 0.146 0.000 1.103 175 K HN 0.411 nan 8.250 nan 0.000 0.429 176 I N 1.175 121.874 120.570 0.214 0.000 2.394 176 I HA -0.078 4.093 4.170 0.001 0.000 0.251 176 I C 0.327 176.475 176.117 0.053 0.000 1.136 176 I CA 1.446 62.817 61.300 0.117 0.000 1.425 176 I CB -0.422 37.662 38.000 0.138 0.000 1.079 176 I HN 0.581 nan 8.210 nan 0.000 0.425 177 E N -0.482 119.771 120.200 0.088 0.000 2.292 177 E HA 0.278 4.628 4.350 0.001 0.000 0.272 177 E C -1.900 174.712 176.600 0.020 0.000 0.881 177 E CA -1.909 54.536 56.400 0.076 0.000 0.754 177 E CB 2.053 31.809 29.700 0.093 0.000 1.201 177 E HN -0.181 nan 8.360 nan 0.000 0.425 178 P HA -0.196 nan 4.420 nan 0.000 0.217 178 P C 0.848 178.122 177.300 -0.044 0.000 1.151 178 P CA 1.509 64.536 63.100 -0.122 0.000 0.849 178 P CB 0.303 31.768 31.700 -0.392 0.000 0.787 179 N N -1.295 117.398 118.700 -0.012 0.000 2.280 179 N HA 0.004 4.745 4.740 0.001 0.000 0.192 179 N C 0.224 175.735 175.510 0.003 0.000 1.109 179 N CA 0.209 53.265 53.050 0.010 0.000 0.855 179 N CB -0.325 38.184 38.487 0.038 0.000 0.974 179 N HN 0.178 nan 8.380 nan 0.000 0.482 180 L N 1.604 122.830 121.223 0.005 0.000 2.399 180 L HA 0.448 4.789 4.340 0.001 0.000 0.265 180 L C -2.006 174.837 176.870 -0.045 0.000 1.089 180 L CA -2.138 52.698 54.840 -0.008 0.000 0.802 180 L CB 1.169 43.239 42.059 0.020 0.000 1.180 180 L HN -0.095 nan 8.230 nan 0.000 0.454 181 P HA 0.030 nan 4.420 nan 0.000 0.269 181 P C -0.788 176.377 177.300 -0.225 0.000 1.209 181 P CA -0.305 62.711 63.100 -0.141 0.000 0.776 181 P CB 0.867 32.474 31.700 -0.154 0.000 0.876 182 S N 2.153 117.769 115.700 -0.139 0.000 2.610 182 S HA 0.386 4.857 4.470 0.001 0.000 0.273 182 S C -0.555 173.926 174.600 -0.199 0.000 1.274 182 S CA -0.499 57.653 58.200 -0.080 0.000 1.023 182 S CB 0.098 63.369 63.200 0.118 0.000 0.962 182 S HN 0.311 nan 8.310 nan 0.000 0.523 183 Y N 0.431 120.737 120.300 0.010 0.000 2.320 183 Y HA 0.421 4.971 4.550 0.001 0.000 0.334 183 Y C 1.107 176.899 175.900 -0.180 0.000 1.055 183 Y CA -0.827 57.253 58.100 -0.034 0.000 1.143 183 Y CB 0.861 39.305 38.460 -0.026 0.000 1.193 183 Y HN 0.512 nan 8.280 nan 0.000 0.477 184 R N 3.895 124.299 120.500 -0.160 0.000 2.267 184 R HA 0.169 4.510 4.340 0.001 0.000 0.319 184 R C 0.311 176.331 176.300 -0.466 0.000 1.067 184 R CA 0.066 55.752 56.100 -0.689 0.000 0.936 184 R CB 0.494 30.136 30.300 -1.096 0.000 1.006 184 R HN 0.795 nan 8.270 nan 0.000 0.452 185 I N 1.607 121.831 120.570 -0.576 0.000 2.585 185 I HA -0.056 4.115 4.170 0.001 0.000 0.254 185 I C 1.317 177.237 176.117 -0.327 0.000 1.129 185 I CA 1.091 62.180 61.300 -0.352 0.000 1.455 185 I CB -0.549 37.201 38.000 -0.417 0.000 1.111 185 I HN 0.515 nan 8.210 nan 0.000 0.433 186 T N -3.835 110.386 114.554 -0.556 0.000 2.924 186 T HA 0.421 4.771 4.350 0.001 0.000 0.291 186 T C -0.601 173.805 174.700 -0.491 0.000 1.045 186 T CA -0.507 61.383 62.100 -0.351 0.000 1.015 186 T CB 2.109 70.758 68.868 -0.365 0.000 1.103 186 T HN 0.182 nan 8.240 nan 0.000 0.496 187 W N -0.230 120.961 121.300 -0.181 0.000 2.324 187 W HA 0.226 4.887 4.660 0.001 0.000 0.316 187 W C 1.893 178.362 176.519 -0.083 0.000 0.927 187 W CA -0.036 57.237 57.345 -0.120 0.000 1.438 187 W CB 0.036 29.442 29.460 -0.089 0.000 1.085 187 W HN 0.901 nan 8.180 nan 0.000 0.532 188 T N -2.351 112.261 114.554 0.096 0.000 3.129 188 T HA 0.248 4.599 4.350 0.001 0.000 0.251 188 T C 1.281 175.989 174.700 0.013 0.000 1.117 188 T CA 0.304 62.439 62.100 0.058 0.000 1.034 188 T CB -0.236 68.661 68.868 0.049 0.000 0.968 188 T HN 0.032 nan 8.240 nan 0.000 0.526 189 G N 1.422 110.204 108.800 -0.030 0.000 2.225 189 G HA2 0.307 4.268 3.960 0.001 0.000 0.245 189 G HA3 0.307 4.268 3.960 0.001 0.000 0.245 189 G C -0.556 174.295 174.900 -0.082 0.000 1.249 189 G CA -0.343 44.715 45.100 -0.070 0.000 0.919 189 G HN 0.550 nan 8.290 nan 0.000 0.486 190 K N 2.355 122.686 120.400 -0.115 0.000 2.581 190 K HA 0.163 4.484 4.320 0.001 0.000 0.249 190 K C -0.037 176.447 176.600 -0.193 0.000 0.966 190 K CA -0.672 55.544 56.287 -0.119 0.000 0.811 190 K CB 1.522 33.987 32.500 -0.058 0.000 1.223 190 K HN 0.620 nan 8.250 nan 0.000 0.438 191 E N 2.963 123.052 120.200 -0.185 0.000 2.708 191 E HA -0.175 4.176 4.350 0.001 0.000 0.260 191 E C -0.541 175.963 176.600 -0.161 0.000 0.937 191 E CA 1.122 57.406 56.400 -0.194 0.000 0.953 191 E CB 0.261 29.884 29.700 -0.128 0.000 0.915 191 E HN 0.651 nan 8.360 nan 0.000 0.487 192 D N 2.445 122.730 120.400 -0.193 0.000 3.070 192 D HA -0.245 4.395 4.640 0.001 0.000 0.220 192 D C 0.486 176.819 176.300 0.055 0.000 1.176 192 D CA 1.140 55.146 54.000 0.011 0.000 0.924 192 D CB -0.404 40.446 40.800 0.084 0.000 1.124 192 D HN 0.394 nan 8.370 nan 0.000 0.411 193 I N -1.146 119.371 120.570 -0.089 0.000 3.669 193 I HA 0.098 4.268 4.170 0.001 0.000 0.255 193 I C 0.647 176.842 176.117 0.129 0.000 1.144 193 I CA 0.394 61.733 61.300 0.066 0.000 1.447 193 I CB 0.250 38.269 38.000 0.031 0.000 1.622 193 I HN -0.139 nan 8.210 nan 0.000 0.435 194 I N 1.807 122.371 120.570 -0.010 0.000 2.389 194 I HA 0.263 4.434 4.170 0.001 0.000 0.288 194 I C -1.266 174.871 176.117 0.033 0.000 0.999 194 I CA -0.538 60.828 61.300 0.110 0.000 1.129 194 I CB 0.940 38.981 38.000 0.068 0.000 1.288 194 I HN 0.036 nan 8.210 nan 0.000 0.444 195 Y N 4.773 125.175 120.300 0.169 0.000 2.328 195 Y HA 0.404 4.955 4.550 0.001 0.000 0.333 195 Y C 0.356 176.334 175.900 0.130 0.000 0.958 195 Y CA -0.837 57.365 58.100 0.170 0.000 1.167 195 Y CB 1.007 39.643 38.460 0.292 0.000 1.151 195 Y HN 0.409 nan 8.280 nan 0.000 0.470 196 N N 2.054 120.839 118.700 0.142 0.000 2.424 196 N HA 0.361 5.102 4.740 0.001 0.000 0.271 196 N C 0.912 176.381 175.510 -0.067 0.000 0.985 196 N CA 0.438 53.506 53.050 0.031 0.000 0.921 196 N CB 1.918 40.329 38.487 -0.127 0.000 1.149 196 N HN 0.953 nan 8.380 nan 0.000 0.492 197 G N 1.463 110.239 108.800 -0.040 0.000 2.212 197 G HA2 -0.267 3.694 3.960 0.001 0.000 0.266 197 G HA3 -0.267 3.694 3.960 0.001 0.000 0.266 197 G C 0.151 174.916 174.900 -0.226 0.000 0.978 197 G CA 0.837 45.835 45.100 -0.170 0.000 0.632 197 G HN 0.679 nan 8.290 nan 0.000 0.537 198 I N -1.486 119.024 120.570 -0.101 0.000 2.828 198 I HA 0.809 4.980 4.170 0.001 0.000 0.302 198 I C 0.279 176.460 176.117 0.106 0.000 1.101 198 I CA -0.588 60.585 61.300 -0.211 0.000 1.031 198 I CB 2.116 39.818 38.000 -0.497 0.000 1.231 198 I HN 0.176 nan 8.210 nan 0.000 0.427 199 T N -0.076 114.481 114.554 0.005 0.000 2.899 199 T HA 0.360 4.711 4.350 0.001 0.000 0.284 199 T C -0.108 174.403 174.700 -0.314 0.000 1.004 199 T CA -0.648 61.292 62.100 -0.268 0.000 1.043 199 T CB 1.316 70.085 68.868 -0.166 0.000 1.013 199 T HN 0.770 nan 8.240 nan 0.000 0.518 200 D N 0.492 120.408 120.400 -0.807 0.000 2.440 200 D HA 0.028 4.669 4.640 0.001 0.000 0.269 200 D C 0.992 177.215 176.300 -0.127 0.000 1.249 200 D CA -1.024 52.507 54.000 -0.782 0.000 1.055 200 D CB 0.038 40.304 40.800 -0.890 0.000 1.104 200 D HN 0.692 nan 8.370 nan 0.000 0.561 201 W N -0.102 121.153 121.300 -0.076 0.000 2.332 201 W HA -0.201 4.460 4.660 0.001 0.000 0.321 201 W C 2.269 178.695 176.519 -0.155 0.000 1.219 201 W CA 2.235 59.537 57.345 -0.071 0.000 1.277 201 W CB -0.530 28.838 29.460 -0.154 0.000 1.161 201 W HN 0.166 nan 8.180 nan 0.000 0.476 202 V N -0.096 119.919 119.914 0.169 0.000 2.407 202 V HA -0.315 3.805 4.120 0.001 0.000 0.248 202 V C 1.907 177.855 176.094 -0.243 0.000 1.055 202 V CA 2.066 64.341 62.300 -0.043 0.000 1.049 202 V CB -0.769 31.013 31.823 -0.069 0.000 0.662 202 V HN 0.305 nan 8.190 nan 0.000 0.455 203 Y N 0.427 120.564 120.300 -0.271 0.000 2.293 203 Y HA -0.165 4.386 4.550 0.001 0.000 0.291 203 Y C 2.566 178.379 175.900 -0.146 0.000 1.137 203 Y CA 2.008 59.962 58.100 -0.242 0.000 1.202 203 Y CB 0.014 38.201 38.460 -0.456 0.000 0.990 203 Y HN 0.396 nan 8.280 nan 0.000 0.537 204 E N 0.316 120.477 120.200 -0.065 0.000 2.028 204 E HA -0.263 4.087 4.350 0.001 0.000 0.191 204 E C 2.032 178.586 176.600 -0.077 0.000 0.988 204 E CA 1.415 57.798 56.400 -0.028 0.000 0.799 204 E CB 0.007 29.674 29.700 -0.054 0.000 0.755 204 E HN 0.363 nan 8.360 nan 0.000 0.447 205 E N 0.658 120.631 120.200 -0.378 0.000 2.015 205 E HA -0.171 4.180 4.350 0.001 0.000 0.191 205 E C 1.717 178.198 176.600 -0.198 0.000 0.991 205 E CA 1.745 57.905 56.400 -0.400 0.000 0.802 205 E CB 0.027 29.137 29.700 -0.984 0.000 0.759 205 E HN 0.241 nan 8.360 nan 0.000 0.447 206 E N -0.636 119.427 120.200 -0.229 0.000 2.452 206 E HA 0.073 4.424 4.350 0.001 0.000 0.197 206 E C 1.635 178.108 176.600 -0.212 0.000 1.022 206 E CA 0.312 56.620 56.400 -0.153 0.000 0.890 206 E CB 0.981 30.591 29.700 -0.150 0.000 0.918 206 E HN 0.215 nan 8.360 nan 0.000 0.496 207 V N -0.705 119.053 119.914 -0.260 0.000 3.001 207 V HA 0.052 4.173 4.120 0.001 0.000 0.228 207 V C 1.403 177.267 176.094 -0.383 0.000 1.204 207 V CA 0.481 62.545 62.300 -0.394 0.000 1.247 207 V CB -0.309 31.163 31.823 -0.585 0.000 1.093 207 V HN 0.013 nan 8.190 nan 0.000 0.504 208 F N 0.775 120.748 119.950 0.038 0.000 2.754 208 F HA 0.269 4.797 4.527 0.001 0.000 0.297 208 F C 1.593 177.355 175.800 -0.063 0.000 1.122 208 F CA 0.429 58.460 58.000 0.051 0.000 1.400 208 F CB -0.274 38.798 39.000 0.120 0.000 1.117 208 F HN 0.077 nan 8.300 nan 0.000 0.587 209 S N 0.418 116.126 115.700 0.013 0.000 3.549 209 S HA 0.003 4.474 4.470 0.001 0.000 0.366 209 S C 0.058 174.234 174.600 -0.707 0.000 1.012 209 S CA 0.398 58.458 58.200 -0.232 0.000 1.141 209 S CB -1.632 61.487 63.200 -0.136 0.000 0.910 209 S HN 0.665 nan 8.310 nan 0.000 0.471 210 A N -0.524 122.106 122.820 -0.318 0.000 2.601 210 A HA 0.702 5.023 4.320 0.001 0.000 0.291 210 A C -0.365 177.178 177.584 -0.069 0.000 1.075 210 A CA -0.461 51.413 52.037 -0.272 0.000 0.671 210 A CB 0.258 19.108 19.000 -0.250 0.000 1.277 210 A HN 0.359 nan 8.150 nan 0.000 0.417 211 Y N 1.060 121.168 120.300 -0.320 0.000 2.476 211 Y HA 0.252 4.802 4.550 0.001 0.000 0.283 211 Y C 1.536 177.114 175.900 -0.536 0.000 1.109 211 Y CA 0.699 58.623 58.100 -0.294 0.000 1.246 211 Y CB -0.035 38.294 38.460 -0.218 0.000 1.068 211 Y HN 0.729 nan 8.280 nan 0.000 0.552 212 S N 0.822 115.972 115.700 -0.917 0.000 2.560 212 S HA 0.407 4.877 4.470 0.001 0.000 0.284 212 S C 0.361 174.418 174.600 -0.904 0.000 1.327 212 S CA 0.310 57.718 58.200 -1.320 0.000 1.055 212 S CB 0.483 62.656 63.200 -1.712 0.000 0.868 212 S HN 0.454 nan 8.310 nan 0.000 0.506 213 A N 5.007 127.289 122.820 -0.896 0.000 2.843 213 A HA 0.457 4.778 4.320 0.001 0.000 0.248 213 A C -0.334 176.584 177.584 -1.110 0.000 0.904 213 A CA -0.675 50.789 52.037 -0.955 0.000 1.091 213 A CB -0.243 18.619 19.000 -0.231 0.000 1.208 213 A HN 1.049 nan 8.150 nan 0.000 0.476 214 L N -4.521 115.910 121.223 -1.320 0.000 2.422 214 L HA 0.842 5.182 4.340 0.001 0.000 0.264 214 L C -1.737 174.688 176.870 -0.742 0.000 0.984 214 L CA -0.833 53.575 54.840 -0.719 0.000 0.819 214 L CB 1.764 43.600 42.059 -0.370 0.000 1.330 214 L HN 0.306 nan 8.230 nan 0.000 0.410 215 W N 2.096 123.446 121.300 0.084 0.000 2.587 215 W HA 0.317 4.978 4.660 0.001 0.000 0.324 215 W C -1.236 175.514 176.519 0.385 0.000 1.008 215 W CA -0.728 56.783 57.345 0.277 0.000 1.265 215 W CB 1.455 31.135 29.460 0.366 0.000 1.328 215 W HN 0.651 nan 8.180 nan 0.000 0.432 216 W N 2.366 123.872 121.300 0.343 0.000 2.158 216 W HA 0.172 4.833 4.660 0.001 0.000 0.339 216 W C 1.344 177.695 176.519 -0.280 0.000 1.294 216 W CA 0.395 57.804 57.345 0.107 0.000 1.231 216 W CB 0.733 30.226 29.460 0.054 0.000 1.143 216 W HN 0.186 nan 8.180 nan 0.000 0.571 217 S N 2.073 117.517 115.700 -0.427 0.000 2.614 217 S HA 0.222 4.693 4.470 0.001 0.000 0.265 217 S C -1.803 172.494 174.600 -0.504 0.000 1.303 217 S CA -1.082 56.239 58.200 -1.464 0.000 1.000 217 S CB 1.165 63.600 63.200 -1.274 0.000 0.935 217 S HN 0.275 nan 8.310 nan 0.000 0.551 218 P HA -0.164 nan 4.420 nan 0.000 0.216 218 P C 0.723 177.973 177.300 -0.083 0.000 1.154 218 P CA 1.693 64.738 63.100 -0.092 0.000 0.865 218 P CB -0.217 31.487 31.700 0.007 0.000 0.789 219 N N -2.261 116.373 118.700 -0.110 0.000 2.235 219 N HA 0.167 4.908 4.740 0.001 0.000 0.209 219 N C 1.049 176.459 175.510 -0.166 0.000 1.122 219 N CA 0.307 53.292 53.050 -0.109 0.000 0.845 219 N CB -0.703 37.739 38.487 -0.075 0.000 1.004 219 N HN 0.156 nan 8.380 nan 0.000 0.499 220 G N -0.873 107.820 108.800 -0.178 0.000 2.184 220 G HA2 -0.369 3.592 3.960 0.001 0.000 0.264 220 G HA3 -0.369 3.592 3.960 0.001 0.000 0.264 220 G C 1.011 175.893 174.900 -0.030 0.000 0.975 220 G CA 0.900 45.879 45.100 -0.202 0.000 0.642 220 G HN 0.384 nan 8.290 nan 0.000 0.536 221 T N 0.076 114.548 114.554 -0.136 0.000 2.674 221 T HA 0.165 4.516 4.350 0.001 0.000 0.265 221 T C 0.934 175.486 174.700 -0.246 0.000 1.039 221 T CA 1.352 63.285 62.100 -0.278 0.000 1.150 221 T CB -0.101 68.447 68.868 -0.533 0.000 0.864 221 T HN 0.271 nan 8.240 nan 0.000 0.427 222 F N 0.480 120.457 119.950 0.045 0.000 2.397 222 F HA 0.602 5.130 4.527 0.001 0.000 0.331 222 F C -0.110 175.775 175.800 0.141 0.000 1.090 222 F CA -1.748 56.318 58.000 0.109 0.000 1.065 222 F CB 0.941 40.059 39.000 0.197 0.000 1.184 222 F HN -0.075 nan 8.300 nan 0.000 0.499 223 L N 2.822 124.228 121.223 0.305 0.000 2.372 223 L HA 0.785 5.126 4.340 0.001 0.000 0.273 223 L C -0.691 176.281 176.870 0.170 0.000 0.989 223 L CA -0.561 54.283 54.840 0.007 0.000 0.841 223 L CB 0.658 42.467 42.059 -0.417 0.000 1.225 223 L HN 0.640 nan 8.230 nan 0.000 0.414 224 A N 4.677 127.675 122.820 0.297 0.000 2.303 224 A HA 0.814 5.135 4.320 0.001 0.000 0.317 224 A C -1.375 176.333 177.584 0.207 0.000 1.149 224 A CA -0.228 51.867 52.037 0.097 0.000 0.822 224 A CB 0.628 19.722 19.000 0.157 0.000 1.131 224 A HN 0.924 nan 8.150 nan 0.000 0.493 225 Y N -1.933 118.216 120.300 -0.253 0.000 2.656 225 Y HA 0.754 5.305 4.550 0.001 0.000 0.334 225 Y C -0.376 175.454 175.900 -0.116 0.000 1.179 225 Y CA -0.895 57.170 58.100 -0.059 0.000 1.050 225 Y CB 0.779 39.142 38.460 -0.162 0.000 1.308 225 Y HN 0.956 nan 8.280 nan 0.000 0.456 226 A N 1.837 124.788 122.820 0.218 0.000 2.330 226 A HA 0.739 5.060 4.320 0.001 0.000 0.329 226 A C -1.271 176.243 177.584 -0.117 0.000 1.135 226 A CA -0.874 51.142 52.037 -0.035 0.000 0.817 226 A CB 1.870 20.784 19.000 -0.144 0.000 1.269 226 A HN 0.825 nan 8.150 nan 0.000 0.469 227 Q N 0.738 120.371 119.800 -0.277 0.000 2.304 227 Q HA 0.599 4.940 4.340 0.001 0.000 0.270 227 Q C -2.103 173.689 176.000 -0.348 0.000 1.035 227 Q CA -0.358 55.381 55.803 -0.107 0.000 0.781 227 Q CB 1.134 30.035 28.738 0.273 0.000 1.261 227 Q HN 0.590 nan 8.270 nan 0.000 0.444 228 F N 2.150 122.199 119.950 0.165 0.000 2.450 228 F HA 0.447 4.975 4.527 0.001 0.000 0.332 228 F C 0.427 176.377 175.800 0.250 0.000 1.093 228 F CA -0.879 57.194 58.000 0.122 0.000 1.003 228 F CB 1.460 40.430 39.000 -0.049 0.000 1.151 228 F HN 0.430 nan 8.300 nan 0.000 0.474 229 N N 1.786 120.714 118.700 0.379 0.000 2.483 229 N HA 0.219 4.960 4.740 0.001 0.000 0.267 229 N C -1.070 174.618 175.510 0.296 0.000 0.998 229 N CA -0.323 52.912 53.050 0.308 0.000 0.918 229 N CB 1.060 39.673 38.487 0.210 0.000 1.215 229 N HN 0.546 nan 8.380 nan 0.000 0.500 230 D N 1.556 122.155 120.400 0.331 0.000 2.463 230 D HA 0.143 4.784 4.640 0.001 0.000 0.224 230 D C 1.224 177.646 176.300 0.204 0.000 1.174 230 D CA 0.081 54.248 54.000 0.278 0.000 0.829 230 D CB 0.552 41.566 40.800 0.357 0.000 0.993 230 D HN 0.449 nan 8.370 nan 0.000 0.497 231 T N 0.389 115.046 114.554 0.172 0.000 2.649 231 T HA -0.221 4.130 4.350 0.001 0.000 0.268 231 T C 1.304 176.065 174.700 0.101 0.000 1.036 231 T CA 1.387 63.561 62.100 0.122 0.000 1.157 231 T CB -0.048 68.881 68.868 0.102 0.000 0.861 231 T HN 0.309 nan 8.240 nan 0.000 0.445 232 E N 0.372 120.632 120.200 0.099 0.000 2.465 232 E HA 0.178 4.529 4.350 0.001 0.000 0.195 232 E C -0.522 176.128 176.600 0.083 0.000 1.028 232 E CA -0.264 56.184 56.400 0.079 0.000 0.899 232 E CB 0.545 30.284 29.700 0.066 0.000 1.032 232 E HN 0.205 nan 8.360 nan 0.000 0.468 233 V N 3.428 123.405 119.914 0.105 0.000 2.470 233 V HA 0.109 4.230 4.120 0.001 0.000 0.276 233 V C -1.970 174.180 176.094 0.093 0.000 1.040 233 V CA -1.571 60.793 62.300 0.107 0.000 1.008 233 V CB 0.336 32.242 31.823 0.137 0.000 0.990 233 V HN 0.047 nan 8.190 nan 0.000 0.477 234 P HA 0.235 nan 4.420 nan 0.000 0.270 234 P C -0.751 176.585 177.300 0.059 0.000 1.223 234 P CA -0.191 62.944 63.100 0.059 0.000 0.785 234 P CB 0.501 32.233 31.700 0.053 0.000 0.923 235 L N 1.783 123.020 121.223 0.022 0.000 2.317 235 L HA 0.468 4.809 4.340 0.001 0.000 0.281 235 L C 0.224 177.045 176.870 -0.081 0.000 1.024 235 L CA -0.986 53.851 54.840 -0.006 0.000 0.810 235 L CB 1.206 43.258 42.059 -0.012 0.000 1.240 235 L HN 0.282 nan 8.230 nan 0.000 0.427 236 I N 2.314 122.786 120.570 -0.163 0.000 2.472 236 I HA 0.277 4.448 4.170 0.001 0.000 0.290 236 I C -0.389 175.573 176.117 -0.259 0.000 1.016 236 I CA 0.196 61.295 61.300 -0.334 0.000 1.348 236 I CB 0.841 38.369 38.000 -0.787 0.000 1.417 236 I HN 0.588 nan 8.210 nan 0.000 0.521 237 E N 7.165 127.231 120.200 -0.223 0.000 2.272 237 E HA 0.501 4.852 4.350 0.001 0.000 0.269 237 E C -1.826 174.698 176.600 -0.127 0.000 0.877 237 E CA -0.588 55.680 56.400 -0.220 0.000 0.755 237 E CB 2.117 31.721 29.700 -0.160 0.000 1.192 237 E HN 0.568 nan 8.360 nan 0.000 0.422 238 Y N -1.776 118.434 120.300 -0.149 0.000 2.609 238 Y HA 0.561 5.112 4.550 0.001 0.000 0.336 238 Y C -0.630 175.194 175.900 -0.126 0.000 1.129 238 Y CA -1.243 56.773 58.100 -0.140 0.000 1.040 238 Y CB 0.880 39.262 38.460 -0.130 0.000 1.310 238 Y HN 0.223 nan 8.280 nan 0.000 0.460 239 S N 1.702 117.382 115.700 -0.034 0.000 2.592 239 S HA 0.487 4.958 4.470 0.001 0.000 0.271 239 S C -1.391 173.042 174.600 -0.279 0.000 1.326 239 S CA -0.345 57.699 58.200 -0.261 0.000 1.024 239 S CB 0.470 63.376 63.200 -0.490 0.000 0.921 239 S HN 0.535 nan 8.310 nan 0.000 0.527 240 F N 1.628 121.300 119.950 -0.464 0.000 2.518 240 F HA 0.425 4.952 4.527 0.001 0.000 0.323 240 F C -0.297 175.257 175.800 -0.409 0.000 1.129 240 F CA -0.794 57.024 58.000 -0.303 0.000 0.920 240 F CB 0.950 39.901 39.000 -0.081 0.000 1.160 240 F HN 0.665 nan 8.300 nan 0.000 0.440 241 Y N 2.508 122.686 120.300 -0.203 0.000 2.448 241 Y HA 0.149 4.699 4.550 0.001 0.000 0.289 241 Y C 1.665 177.587 175.900 0.038 0.000 1.114 241 Y CA 0.985 59.044 58.100 -0.069 0.000 1.235 241 Y CB -0.386 37.992 38.460 -0.136 0.000 1.045 241 Y HN 0.732 nan 8.280 nan 0.000 0.554 242 S N -0.325 115.474 115.700 0.165 0.000 3.443 242 S HA -0.216 4.255 4.470 0.001 0.000 0.635 242 S C -0.568 174.136 174.600 0.173 0.000 2.555 242 S CA 0.242 58.624 58.200 0.304 0.000 2.778 242 S CB -1.152 62.244 63.200 0.327 0.000 0.331 242 S HN 0.457 nan 8.310 nan 0.000 1.765 243 D N 1.525 122.018 120.400 0.155 0.000 2.368 243 D HA 0.151 4.792 4.640 0.001 0.000 0.240 243 D C 1.395 177.743 176.300 0.081 0.000 1.169 243 D CA 0.403 54.464 54.000 0.102 0.000 0.906 243 D CB 0.194 41.047 40.800 0.088 0.000 1.187 243 D HN 0.647 nan 8.370 nan 0.000 0.435 244 E N 0.400 120.632 120.200 0.054 0.000 2.219 244 E HA -0.234 4.117 4.350 0.001 0.000 0.198 244 E C 1.545 178.165 176.600 0.034 0.000 0.998 244 E CA 1.417 57.837 56.400 0.034 0.000 0.818 244 E CB 0.148 29.860 29.700 0.019 0.000 0.741 244 E HN 0.432 nan 8.360 nan 0.000 0.477 245 S N 0.194 115.920 115.700 0.043 0.000 2.423 245 S HA -0.131 4.340 4.470 0.001 0.000 0.231 245 S C 0.959 175.589 174.600 0.050 0.000 1.014 245 S CA 0.012 58.236 58.200 0.040 0.000 0.965 245 S CB -0.233 62.992 63.200 0.041 0.000 0.785 245 S HN 0.255 nan 8.310 nan 0.000 0.495 246 L N 2.701 123.966 121.223 0.069 0.000 2.530 246 L HA 0.248 4.589 4.340 0.001 0.000 0.273 246 L C 1.446 178.357 176.870 0.068 0.000 1.141 246 L CA 0.191 55.084 54.840 0.087 0.000 0.905 246 L CB 0.408 42.537 42.059 0.117 0.000 1.202 246 L HN 0.310 nan 8.230 nan 0.000 0.473 247 Q N 3.948 123.787 119.800 0.065 0.000 2.079 247 Q HA -0.096 4.245 4.340 0.001 0.000 0.200 247 Q C -0.490 175.422 176.000 -0.146 0.000 0.974 247 Q CA 1.326 57.110 55.803 -0.032 0.000 0.840 247 Q CB 0.126 28.865 28.738 0.002 0.000 0.898 247 Q HN 0.685 nan 8.270 nan 0.000 0.430 248 Y N 0.739 121.060 120.300 0.035 0.000 2.335 248 Y HA 0.375 4.926 4.550 0.001 0.000 0.338 248 Y C -2.054 173.868 175.900 0.036 0.000 0.977 248 Y CA -2.908 55.210 58.100 0.030 0.000 1.114 248 Y CB 1.375 39.842 38.460 0.012 0.000 1.182 248 Y HN 0.152 nan 8.280 nan 0.000 0.463 249 P HA 0.012 nan 4.420 nan 0.000 0.267 249 P C -0.976 176.350 177.300 0.044 0.000 1.200 249 P CA -0.318 62.824 63.100 0.070 0.000 0.772 249 P CB 0.509 32.214 31.700 0.008 0.000 0.855 250 K N 0.206 120.615 120.400 0.015 0.000 2.098 250 K HA 0.604 4.925 4.320 0.001 0.000 0.258 250 K C -0.709 175.852 176.600 -0.064 0.000 0.973 250 K CA -0.717 55.569 56.287 -0.002 0.000 0.898 250 K CB 0.631 33.139 32.500 0.013 0.000 1.057 250 K HN 0.171 nan 8.250 nan 0.000 0.447 251 T N 1.686 116.184 114.554 -0.093 0.000 2.758 251 T HA 0.245 4.595 4.350 0.001 0.000 0.285 251 T C -0.393 174.181 174.700 -0.210 0.000 0.981 251 T CA -0.732 61.276 62.100 -0.153 0.000 0.965 251 T CB 1.128 69.920 68.868 -0.127 0.000 0.927 251 T HN 0.361 nan 8.240 nan 0.000 0.448 252 V N 5.247 124.938 119.914 -0.373 0.000 2.509 252 V HA 0.491 4.612 4.120 0.001 0.000 0.284 252 V C 0.329 176.162 176.094 -0.436 0.000 1.047 252 V CA -0.602 61.433 62.300 -0.440 0.000 0.952 252 V CB 1.057 32.454 31.823 -0.710 0.000 0.988 252 V HN 0.726 nan 8.190 nan 0.000 0.469 253 R N 3.080 123.447 120.500 -0.222 0.000 2.502 253 R HA 0.734 5.075 4.340 0.001 0.000 0.300 253 R C -1.528 174.757 176.300 -0.024 0.000 0.984 253 R CA -0.565 55.450 56.100 -0.142 0.000 0.882 253 R CB 2.329 32.575 30.300 -0.090 0.000 1.180 253 R HN 0.520 nan 8.270 nan 0.000 0.444 254 V N 3.308 123.211 119.914 -0.017 0.000 2.733 254 V HA 0.480 4.601 4.120 0.001 0.000 0.306 254 V C -2.715 173.430 176.094 0.084 0.000 1.084 254 V CA -2.613 59.747 62.300 0.101 0.000 0.905 254 V CB 2.582 34.491 31.823 0.144 0.000 1.010 254 V HN 0.523 nan 8.190 nan 0.000 0.424 255 P HA 0.183 nan 4.420 nan 0.000 0.260 255 P C -1.744 175.660 177.300 0.173 0.000 1.207 255 P CA 0.659 63.866 63.100 0.179 0.000 0.780 255 P CB -0.399 31.455 31.700 0.256 0.000 0.789 256 Y N 6.662 126.930 120.300 -0.052 0.000 2.315 256 Y HA 0.376 4.927 4.550 0.001 0.000 0.324 256 Y C -2.705 173.158 175.900 -0.061 0.000 1.062 256 Y CA -2.912 55.102 58.100 -0.143 0.000 1.159 256 Y CB 1.780 40.019 38.460 -0.369 0.000 1.145 256 Y HN 0.278 nan 8.280 nan 0.000 0.442 257 P HA 0.246 nan 4.420 nan 0.000 0.286 257 P C -0.938 176.395 177.300 0.054 0.000 1.321 257 P CA -0.185 62.944 63.100 0.049 0.000 0.790 257 P CB 1.311 33.027 31.700 0.027 0.000 0.897 258 K N 2.070 122.582 120.400 0.187 0.000 2.102 258 K HA 0.503 4.824 4.320 0.001 0.000 0.244 258 K C 0.579 177.268 176.600 0.149 0.000 1.021 258 K CA -0.727 55.689 56.287 0.216 0.000 0.913 258 K CB 0.526 33.181 32.500 0.257 0.000 1.062 258 K HN 0.442 nan 8.250 nan 0.000 0.485 259 A N 0.763 123.697 122.820 0.191 0.000 2.580 259 A HA 0.268 4.589 4.320 0.001 0.000 0.244 259 A C 1.218 178.837 177.584 0.059 0.000 1.045 259 A CA 1.074 53.212 52.037 0.169 0.000 0.761 259 A CB -1.257 17.930 19.000 0.310 0.000 0.962 259 A HN 0.900 nan 8.150 nan 0.000 0.512 260 G N 1.075 109.898 108.800 0.038 0.000 2.225 260 G HA2 0.090 4.051 3.960 0.001 0.000 0.254 260 G HA3 0.090 4.051 3.960 0.001 0.000 0.254 260 G C 0.772 175.684 174.900 0.020 0.000 0.988 260 G CA 0.778 45.876 45.100 -0.004 0.000 0.625 260 G HN 2.208 nan 8.290 nan 0.000 0.527 261 A N -0.227 122.621 122.820 0.046 0.000 2.292 261 A HA 0.683 5.004 4.320 0.001 0.000 0.265 261 A C 0.860 178.475 177.584 0.052 0.000 1.133 261 A CA 0.484 52.552 52.037 0.052 0.000 0.807 261 A CB 0.474 19.519 19.000 0.075 0.000 1.102 261 A HN 1.160 nan 8.150 nan 0.000 0.502 262 V N 2.311 122.258 119.914 0.054 0.000 2.508 262 V HA 0.075 4.195 4.120 0.001 0.000 0.281 262 V C 0.316 176.455 176.094 0.076 0.000 1.041 262 V CA -0.268 62.066 62.300 0.056 0.000 1.016 262 V CB 0.176 32.032 31.823 0.055 0.000 0.984 262 V HN 0.799 nan 8.190 nan 0.000 0.478 263 N N 6.249 124.994 118.700 0.076 0.000 2.476 263 N HA 0.479 5.220 4.740 0.001 0.000 0.275 263 N C -2.372 173.224 175.510 0.142 0.000 1.190 263 N CA -1.444 51.674 53.050 0.114 0.000 0.977 263 N CB 1.125 39.679 38.487 0.111 0.000 1.200 263 N HN 0.394 nan 8.380 nan 0.000 0.515 264 P HA 0.148 nan 4.420 nan 0.000 0.276 264 P C -0.520 176.939 177.300 0.266 0.000 1.244 264 P CA -0.203 63.053 63.100 0.260 0.000 0.801 264 P CB 0.550 32.448 31.700 0.330 0.000 1.006 265 T N -1.737 112.952 114.554 0.225 0.000 2.948 265 T HA 0.623 4.974 4.350 0.001 0.000 0.285 265 T C -0.288 174.538 174.700 0.209 0.000 1.019 265 T CA -0.866 61.324 62.100 0.150 0.000 1.013 265 T CB 1.485 70.407 68.868 0.089 0.000 1.117 265 T HN 0.356 nan 8.240 nan 0.000 0.533 266 V N 0.139 120.141 119.914 0.146 0.000 2.971 266 V HA 0.718 4.839 4.120 0.001 0.000 0.309 266 V C -1.693 174.463 176.094 0.104 0.000 1.130 266 V CA -0.849 61.497 62.300 0.077 0.000 0.964 266 V CB 2.146 34.033 31.823 0.107 0.000 1.029 266 V HN 1.049 nan 8.190 nan 0.000 0.427 267 K N 4.412 124.800 120.400 -0.019 0.000 2.385 267 K HA 0.608 4.928 4.320 0.001 0.000 0.248 267 K C -1.900 174.570 176.600 -0.216 0.000 0.955 267 K CA -0.539 55.693 56.287 -0.091 0.000 0.816 267 K CB 2.776 35.174 32.500 -0.170 0.000 1.250 267 K HN 0.535 nan 8.250 nan 0.000 0.434 268 F N 2.098 121.707 119.950 -0.568 0.000 2.520 268 F HA 0.563 5.091 4.527 0.001 0.000 0.322 268 F C -1.439 173.798 175.800 -0.938 0.000 1.103 268 F CA -0.824 56.822 58.000 -0.590 0.000 0.926 268 F CB 0.826 39.608 39.000 -0.364 0.000 1.154 268 F HN 0.379 nan 8.300 nan 0.000 0.453 269 F N 3.821 123.019 119.950 -1.253 0.000 2.603 269 F HA 0.765 5.293 4.527 0.001 0.000 0.317 269 F C -0.971 174.133 175.800 -1.160 0.000 1.066 269 F CA -1.228 56.126 58.000 -1.077 0.000 0.941 269 F CB 2.102 40.404 39.000 -1.163 0.000 1.291 269 F HN 0.122 nan 8.300 nan 0.000 0.472 270 V N 2.455 122.106 119.914 -0.438 0.000 2.623 270 V HA 0.644 4.765 4.120 0.001 0.000 0.304 270 V C -1.187 174.947 176.094 0.068 0.000 1.054 270 V CA -0.812 61.299 62.300 -0.315 0.000 0.882 270 V CB 1.876 33.263 31.823 -0.726 0.000 1.002 270 V HN 0.630 nan 8.190 nan 0.000 0.424 271 V N 4.030 124.072 119.914 0.213 0.000 2.735 271 V HA 0.602 4.723 4.120 0.001 0.000 0.310 271 V C -0.546 175.780 176.094 0.387 0.000 1.061 271 V CA -0.584 61.886 62.300 0.284 0.000 0.913 271 V CB 2.190 34.133 31.823 0.201 0.000 1.005 271 V HN 0.935 nan 8.190 nan 0.000 0.428 272 N N 3.411 122.332 118.700 0.367 0.000 2.406 272 N HA 0.143 4.884 4.740 0.001 0.000 0.251 272 N C 0.984 176.520 175.510 0.043 0.000 1.069 272 N CA 0.564 53.751 53.050 0.227 0.000 0.947 272 N CB 1.745 40.337 38.487 0.175 0.000 1.111 272 N HN 0.928 nan 8.380 nan 0.000 0.497 273 T N -0.223 114.335 114.554 0.006 0.000 3.113 273 T HA 0.041 4.392 4.350 0.001 0.000 0.256 273 T C 0.707 175.349 174.700 -0.096 0.000 1.131 273 T CA 0.504 62.587 62.100 -0.029 0.000 1.074 273 T CB 0.157 69.091 68.868 0.110 0.000 0.944 273 T HN 0.226 nan 8.240 nan 0.000 0.516 274 D N 2.078 122.406 120.400 -0.121 0.000 2.347 274 D HA 0.052 4.693 4.640 0.001 0.000 0.213 274 D C 1.075 177.310 176.300 -0.108 0.000 0.985 274 D CA 0.697 54.622 54.000 -0.125 0.000 0.879 274 D CB 0.146 40.849 40.800 -0.161 0.000 0.919 274 D HN 0.636 nan 8.370 nan 0.000 0.526 275 S N -0.050 115.590 115.700 -0.099 0.000 2.384 275 S HA 0.363 4.834 4.470 0.001 0.000 0.227 275 S C -0.019 174.522 174.600 -0.099 0.000 1.257 275 S CA -0.690 57.468 58.200 -0.069 0.000 1.249 275 S CB -0.298 62.894 63.200 -0.013 0.000 1.018 275 S HN -0.045 nan 8.310 nan 0.000 0.478 276 L N 1.783 122.869 121.223 -0.229 0.000 2.325 276 L HA 0.672 5.013 4.340 0.001 0.000 0.279 276 L C 0.370 177.099 176.870 -0.235 0.000 1.054 276 L CA -0.407 54.216 54.840 -0.361 0.000 0.804 276 L CB 1.747 43.274 42.059 -0.887 0.000 1.200 276 L HN 0.423 nan 8.230 nan 0.000 0.436 277 S N -0.137 115.556 115.700 -0.012 0.000 2.503 277 S HA 0.335 4.806 4.470 0.001 0.000 0.301 277 S C 0.681 175.477 174.600 0.327 0.000 1.087 277 S CA -0.527 57.766 58.200 0.155 0.000 1.042 277 S CB 1.670 64.929 63.200 0.097 0.000 1.043 277 S HN 0.654 nan 8.310 nan 0.000 0.489 278 S N 2.958 118.852 115.700 0.323 0.000 2.593 278 S HA 0.085 4.556 4.470 0.001 0.000 0.217 278 S C 1.121 175.803 174.600 0.136 0.000 0.966 278 S CA 0.060 58.389 58.200 0.214 0.000 0.914 278 S CB 0.079 63.338 63.200 0.097 0.000 0.776 278 S HN 0.495 nan 8.310 nan 0.000 0.523 279 V N 1.094 121.083 119.914 0.124 0.000 3.085 279 V HA 0.161 4.282 4.120 0.001 0.000 0.245 279 V C 0.733 176.872 176.094 0.076 0.000 1.114 279 V CA 0.993 63.343 62.300 0.083 0.000 1.108 279 V CB 0.205 32.066 31.823 0.064 0.000 0.798 279 V HN 0.478 nan 8.190 nan 0.000 0.471 280 T N 0.648 115.256 114.554 0.090 0.000 2.885 280 T HA 0.377 4.727 4.350 0.001 0.000 0.285 280 T C -0.370 174.391 174.700 0.101 0.000 1.019 280 T CA -0.522 61.619 62.100 0.069 0.000 1.010 280 T CB 1.306 70.204 68.868 0.051 0.000 1.022 280 T HN 0.061 nan 8.240 nan 0.000 0.466 281 N N 2.211 120.954 118.700 0.072 0.000 2.468 281 N HA 0.321 5.062 4.740 0.001 0.000 0.265 281 N C 0.350 175.929 175.510 0.115 0.000 1.199 281 N CA -0.091 53.035 53.050 0.126 0.000 0.928 281 N CB 0.599 39.088 38.487 0.004 0.000 1.059 281 N HN 0.877 nan 8.380 nan 0.000 0.467 282 A N 2.568 125.475 122.820 0.145 0.000 2.613 282 A HA 0.055 4.376 4.320 0.001 0.000 0.230 282 A C 0.345 177.980 177.584 0.084 0.000 1.051 282 A CA 0.432 52.523 52.037 0.089 0.000 0.754 282 A CB -0.065 18.970 19.000 0.059 0.000 0.979 282 A HN 0.561 nan 8.150 nan 0.000 0.510 283 T N 2.508 117.112 114.554 0.084 0.000 2.771 283 T HA 0.488 4.839 4.350 0.001 0.000 0.281 283 T C -0.096 174.680 174.700 0.127 0.000 0.982 283 T CA -0.131 62.027 62.100 0.096 0.000 0.978 283 T CB 0.987 69.917 68.868 0.103 0.000 0.930 283 T HN 0.552 nan 8.240 nan 0.000 0.447 284 S N 3.599 119.368 115.700 0.115 0.000 2.456 284 S HA 0.475 4.946 4.470 0.001 0.000 0.316 284 S C -0.007 174.723 174.600 0.217 0.000 1.089 284 S CA -0.801 57.486 58.200 0.146 0.000 1.101 284 S CB 0.399 63.620 63.200 0.035 0.000 0.995 284 S HN 0.484 nan 8.310 nan 0.000 0.468 285 I N 3.387 124.104 120.570 0.245 0.000 2.342 285 I HA 0.277 4.447 4.170 0.001 0.000 0.291 285 I C 0.592 176.822 176.117 0.189 0.000 1.010 285 I CA -0.260 61.194 61.300 0.257 0.000 1.308 285 I CB 0.815 39.040 38.000 0.375 0.000 1.400 285 I HN 0.665 nan 8.210 nan 0.000 0.488 286 Q N 6.182 126.075 119.800 0.154 0.000 2.259 286 Q HA 0.546 4.887 4.340 0.001 0.000 0.246 286 Q C -1.196 174.763 176.000 -0.068 0.000 0.920 286 Q CA -0.480 55.255 55.803 -0.115 0.000 0.895 286 Q CB 1.523 30.154 28.738 -0.178 0.000 1.220 286 Q HN 0.580 nan 8.270 nan 0.000 0.439 287 I N 3.752 124.259 120.570 -0.106 0.000 2.411 287 I HA 0.227 4.398 4.170 0.001 0.000 0.284 287 I C -0.092 176.042 176.117 0.029 0.000 1.012 287 I CA -0.749 60.566 61.300 0.025 0.000 1.119 287 I CB 1.724 39.786 38.000 0.105 0.000 1.261 287 I HN 0.693 nan 8.210 nan 0.000 0.448 288 T N 2.802 117.336 114.554 -0.032 0.000 2.904 288 T HA 0.661 5.012 4.350 0.001 0.000 0.290 288 T C 0.395 174.952 174.700 -0.238 0.000 1.018 288 T CA -0.790 61.240 62.100 -0.118 0.000 1.075 288 T CB 1.716 70.502 68.868 -0.137 0.000 0.986 288 T HN 0.578 nan 8.240 nan 0.000 0.523 289 A N 3.294 125.727 122.820 -0.645 0.000 2.366 289 A HA 0.570 4.891 4.320 0.001 0.000 0.249 289 A C -1.793 175.312 177.584 -0.799 0.000 1.084 289 A CA -1.526 49.669 52.037 -1.404 0.000 0.794 289 A CB -0.665 16.857 19.000 -2.463 0.000 1.034 289 A HN 0.800 nan 8.150 nan 0.000 0.491 290 P HA 0.143 nan 4.420 nan 0.000 0.271 290 P C 0.638 177.714 177.300 -0.374 0.000 1.233 290 P CA 0.546 63.416 63.100 -0.384 0.000 0.789 290 P CB 0.816 32.367 31.700 -0.250 0.000 0.951 291 A N 2.095 124.770 122.820 -0.242 0.000 1.972 291 A HA -0.170 4.151 4.320 0.001 0.000 0.219 291 A C 2.235 179.697 177.584 -0.204 0.000 1.169 291 A CA 2.179 54.092 52.037 -0.208 0.000 0.635 291 A CB -1.730 17.186 19.000 -0.140 0.000 0.810 291 A HN 0.676 nan 8.150 nan 0.000 0.446 292 S N -1.833 113.767 115.700 -0.167 0.000 2.469 292 S HA -0.104 4.366 4.470 0.001 0.000 0.238 292 S C 1.644 176.129 174.600 -0.192 0.000 0.998 292 S CA 1.729 59.843 58.200 -0.143 0.000 0.957 292 S CB -0.254 62.926 63.200 -0.033 0.000 0.764 292 S HN 0.359 nan 8.310 nan 0.000 0.514 293 M N 0.913 120.337 119.600 -0.294 0.000 2.556 293 M HA 0.476 4.957 4.480 0.001 0.000 0.264 293 M C 1.668 177.614 176.300 -0.591 0.000 1.163 293 M CA 0.883 55.920 55.300 -0.437 0.000 1.186 293 M CB -0.444 31.768 32.600 -0.646 0.000 1.321 293 M HN 0.247 nan 8.290 nan 0.000 0.485 294 L N 0.428 121.330 121.223 -0.536 0.000 2.353 294 L HA -0.130 4.211 4.340 0.001 0.000 0.220 294 L C 2.087 178.852 176.870 -0.174 0.000 1.133 294 L CA 0.755 55.376 54.840 -0.365 0.000 0.798 294 L CB -1.062 40.829 42.059 -0.281 0.000 0.922 294 L HN 0.394 nan 8.230 nan 0.000 0.445 295 I N -2.320 118.150 120.570 -0.167 0.000 2.657 295 I HA 0.032 4.203 4.170 0.001 0.000 0.261 295 I C 1.051 177.129 176.117 -0.065 0.000 1.212 295 I CA 0.876 62.112 61.300 -0.106 0.000 1.453 295 I CB -0.549 37.381 38.000 -0.116 0.000 1.092 295 I HN 0.115 nan 8.210 nan 0.000 0.452 296 G N -0.057 108.720 108.800 -0.039 0.000 2.619 296 G HA2 0.270 4.231 3.960 0.001 0.000 0.305 296 G HA3 0.270 4.231 3.960 0.001 0.000 0.305 296 G C -1.758 173.209 174.900 0.112 0.000 1.330 296 G CA -0.632 44.473 45.100 0.009 0.000 0.789 296 G HN 0.037 nan 8.290 nan 0.000 0.487 297 D N 1.134 121.554 120.400 0.032 0.000 2.449 297 D HA 0.392 5.033 4.640 0.001 0.000 0.236 297 D C 0.408 176.683 176.300 -0.041 0.000 1.149 297 D CA 0.926 54.897 54.000 -0.049 0.000 0.878 297 D CB 0.404 41.126 40.800 -0.130 0.000 1.198 297 D HN 0.585 nan 8.370 nan 0.000 0.446 298 H N -1.330 117.583 119.070 -0.261 0.000 2.902 298 H HA 0.389 4.946 4.556 0.001 0.000 0.297 298 H C -1.470 173.697 175.328 -0.269 0.000 1.406 298 H CA -0.795 55.094 56.048 -0.265 0.000 1.134 298 H CB 0.207 29.954 29.762 -0.026 0.000 1.833 298 H HN 0.320 nan 8.280 nan 0.000 0.527 299 Y N -0.037 120.484 120.300 0.368 0.000 2.576 299 Y HA 0.457 5.008 4.550 0.001 0.000 0.346 299 Y C -0.441 175.743 175.900 0.475 0.000 1.018 299 Y CA -1.178 57.153 58.100 0.385 0.000 1.050 299 Y CB 1.898 40.438 38.460 0.134 0.000 1.280 299 Y HN 0.490 nan 8.280 nan 0.000 0.474 300 L N 2.681 124.256 121.223 0.586 0.000 2.264 300 L HA 0.460 4.801 4.340 0.001 0.000 0.289 300 L C 0.321 177.276 176.870 0.141 0.000 1.044 300 L CA -0.350 54.494 54.840 0.007 0.000 0.807 300 L CB 0.596 42.563 42.059 -0.154 0.000 1.192 300 L HN 0.986 nan 8.230 nan 0.000 0.425 301 C N 1.229 120.465 119.300 -0.108 0.000 3.403 301 C HA 0.522 4.982 4.460 0.001 0.000 0.317 301 C C 0.206 175.022 174.990 -0.291 0.000 1.346 301 C CA -0.374 58.504 59.018 -0.233 0.000 1.743 301 C CB -0.622 27.036 27.740 -0.137 0.000 2.308 301 C HN 0.848 nan 8.230 nan 0.000 0.675 302 D N -0.018 120.247 120.400 -0.226 0.000 2.717 302 D HA 0.490 5.130 4.640 0.001 0.000 0.223 302 D C -1.931 174.121 176.300 -0.413 0.000 1.240 302 D CA 0.083 53.976 54.000 -0.178 0.000 0.801 302 D CB 2.816 43.508 40.800 -0.179 0.000 1.556 302 D HN 0.050 nan 8.370 nan 0.000 0.462 303 V N 1.989 121.617 119.914 -0.476 0.000 2.612 303 V HA 0.501 4.622 4.120 0.001 0.000 0.301 303 V C -0.706 175.054 176.094 -0.556 0.000 1.059 303 V CA -0.438 61.351 62.300 -0.852 0.000 0.886 303 V CB 2.010 32.817 31.823 -1.692 0.000 1.007 303 V HN 0.654 nan 8.190 nan 0.000 0.426 304 T N 3.424 117.724 114.554 -0.424 0.000 3.031 304 T HA 0.355 4.706 4.350 0.001 0.000 0.305 304 T C -0.873 173.727 174.700 -0.168 0.000 0.985 304 T CA -0.477 61.532 62.100 -0.152 0.000 1.008 304 T CB 0.845 69.689 68.868 -0.040 0.000 1.005 304 T HN 0.504 nan 8.240 nan 0.000 0.444 305 W N 1.988 123.256 121.300 -0.054 0.000 2.190 305 W HA 0.473 5.134 4.660 0.001 0.000 0.330 305 W C 1.163 177.574 176.519 -0.180 0.000 1.299 305 W CA -0.220 57.076 57.345 -0.082 0.000 1.215 305 W CB 0.563 30.053 29.460 0.050 0.000 1.147 305 W HN 0.834 nan 8.180 nan 0.000 0.563 306 A N 1.733 124.447 122.820 -0.177 0.000 1.963 306 A HA 0.244 4.565 4.320 0.001 0.000 0.207 306 A C 0.776 178.335 177.584 -0.041 0.000 1.243 306 A CA 1.462 53.168 52.037 -0.552 0.000 0.728 306 A CB -0.269 17.885 19.000 -1.410 0.000 0.895 306 A HN 0.541 nan 8.150 nan 0.000 0.467 307 T N -5.720 108.916 114.554 0.136 0.000 2.645 307 T HA 0.321 4.671 4.350 0.001 0.000 0.300 307 T C 0.017 174.899 174.700 0.304 0.000 1.210 307 T CA -0.370 61.848 62.100 0.197 0.000 1.034 307 T CB 0.611 69.575 68.868 0.161 0.000 1.537 307 T HN -0.077 nan 8.240 nan 0.000 0.492 308 Q N 0.337 120.273 119.800 0.226 0.000 2.226 308 Q HA 0.010 4.350 4.340 0.001 0.000 0.204 308 Q C 0.965 177.232 176.000 0.446 0.000 0.975 308 Q CA 1.568 57.505 55.803 0.223 0.000 0.866 308 Q CB -0.142 28.683 28.738 0.145 0.000 0.915 308 Q HN 0.832 nan 8.270 nan 0.000 0.440 309 E N -0.323 120.147 120.200 0.450 0.000 2.714 309 E HA 0.187 4.538 4.350 0.001 0.000 0.219 309 E C -0.157 176.754 176.600 0.519 0.000 0.979 309 E CA -0.183 56.525 56.400 0.513 0.000 1.092 309 E CB 1.024 30.926 29.700 0.337 0.000 1.049 309 E HN -0.033 nan 8.360 nan 0.000 0.487 310 R N 1.615 122.410 120.500 0.492 0.000 2.532 310 R HA 0.544 4.884 4.340 0.001 0.000 0.297 310 R C -1.659 174.679 176.300 0.064 0.000 0.984 310 R CA -0.451 55.806 56.100 0.261 0.000 0.884 310 R CB 1.330 31.674 30.300 0.074 0.000 1.182 310 R HN 0.052 nan 8.270 nan 0.000 0.442 311 I N 2.922 123.365 120.570 -0.212 0.000 2.608 311 I HA 0.450 4.621 4.170 0.001 0.000 0.295 311 I C -0.987 174.826 176.117 -0.506 0.000 1.049 311 I CA -0.505 60.387 61.300 -0.680 0.000 1.063 311 I CB 2.287 39.452 38.000 -1.392 0.000 1.248 311 I HN 0.856 nan 8.210 nan 0.000 0.424 312 S N 7.081 122.469 115.700 -0.520 0.000 2.532 312 S HA 0.832 5.303 4.470 0.001 0.000 0.301 312 S C -1.176 173.121 174.600 -0.505 0.000 1.083 312 S CA -0.669 57.311 58.200 -0.367 0.000 1.025 312 S CB 1.976 65.083 63.200 -0.154 0.000 1.056 312 S HN 0.424 nan 8.310 nan 0.000 0.494 313 L N 1.732 122.673 121.223 -0.470 0.000 2.431 313 L HA 0.523 4.864 4.340 0.001 0.000 0.266 313 L C -0.480 176.102 176.870 -0.480 0.000 0.978 313 L CA -0.227 54.217 54.840 -0.660 0.000 0.822 313 L CB 2.178 43.706 42.059 -0.885 0.000 1.310 313 L HN 0.816 nan 8.230 nan 0.000 0.409 314 Q N 1.792 121.283 119.800 -0.514 0.000 2.322 314 Q HA 0.487 4.828 4.340 0.001 0.000 0.265 314 Q C -1.615 174.194 176.000 -0.319 0.000 0.985 314 Q CA -0.473 55.157 55.803 -0.289 0.000 0.849 314 Q CB 1.999 30.616 28.738 -0.202 0.000 1.274 314 Q HN 0.484 nan 8.270 nan 0.000 0.449 315 W N 2.481 123.745 121.300 -0.060 0.000 2.639 315 W HA 0.614 5.274 4.660 0.001 0.000 0.347 315 W C -0.802 175.761 176.519 0.073 0.000 1.067 315 W CA -0.674 56.684 57.345 0.022 0.000 1.218 315 W CB 1.079 30.537 29.460 -0.004 0.000 1.393 315 W HN 0.394 nan 8.180 nan 0.000 0.557 316 L N 2.651 124.122 121.223 0.413 0.000 2.410 316 L HA 0.558 4.899 4.340 0.001 0.000 0.270 316 L C -0.130 176.935 176.870 0.325 0.000 0.983 316 L CA -1.062 53.975 54.840 0.329 0.000 0.822 316 L CB 1.322 43.559 42.059 0.297 0.000 1.285 316 L HN 0.400 nan 8.230 nan 0.000 0.409 317 R N 2.438 123.092 120.500 0.255 0.000 2.694 317 R HA 0.211 4.552 4.340 0.001 0.000 0.268 317 R C 1.022 177.374 176.300 0.088 0.000 1.061 317 R CA -0.087 56.102 56.100 0.148 0.000 1.133 317 R CB 0.553 30.921 30.300 0.113 0.000 1.020 317 R HN 0.656 nan 8.270 nan 0.000 0.475 318 R N 1.304 121.772 120.500 -0.055 0.000 2.127 318 R HA -0.074 4.267 4.340 0.001 0.000 0.238 318 R C 0.387 176.735 176.300 0.080 0.000 1.134 318 R CA 1.120 57.171 56.100 -0.081 0.000 0.975 318 R CB 0.173 30.393 30.300 -0.133 0.000 0.865 318 R HN 0.385 nan 8.270 nan 0.000 0.447 319 I N 2.783 123.388 120.570 0.059 0.000 2.278 319 I HA 0.001 4.172 4.170 0.001 0.000 0.296 319 I C 0.292 176.473 176.117 0.106 0.000 1.121 319 I CA 0.406 61.746 61.300 0.067 0.000 1.267 319 I CB 0.914 38.938 38.000 0.040 0.000 1.447 319 I HN 0.275 nan 8.210 nan 0.000 0.509 320 Q N 4.403 124.269 119.800 0.109 0.000 2.285 320 Q HA -0.100 4.241 4.340 0.001 0.000 0.191 320 Q C 0.484 176.572 176.000 0.145 0.000 0.860 320 Q CA 0.219 56.100 55.803 0.130 0.000 1.015 320 Q CB -0.360 28.415 28.738 0.061 0.000 1.118 320 Q HN 0.625 nan 8.270 nan 0.000 0.455 321 N N -0.948 117.840 118.700 0.147 0.000 2.291 321 N HA -0.013 4.728 4.740 0.001 0.000 0.244 321 N C -1.249 174.373 175.510 0.187 0.000 1.216 321 N CA -0.311 52.818 53.050 0.131 0.000 0.879 321 N CB 0.303 38.843 38.487 0.087 0.000 1.167 321 N HN 0.150 nan 8.380 nan 0.000 0.515 322 Y N 1.054 121.386 120.300 0.053 0.000 2.323 322 Y HA 0.522 5.073 4.550 0.001 0.000 0.322 322 Y C -1.295 174.645 175.900 0.066 0.000 1.133 322 Y CA -0.937 57.191 58.100 0.047 0.000 1.093 322 Y CB 1.229 39.707 38.460 0.030 0.000 1.203 322 Y HN 0.185 nan 8.280 nan 0.000 0.427 323 S N 4.146 119.771 115.700 -0.125 0.000 2.599 323 S HA 0.948 5.419 4.470 0.001 0.000 0.287 323 S C -1.885 172.651 174.600 -0.105 0.000 1.105 323 S CA -0.752 57.449 58.200 0.002 0.000 0.899 323 S CB 2.080 65.298 63.200 0.030 0.000 1.100 323 S HN 0.470 nan 8.310 nan 0.000 0.482 324 V N 2.359 122.302 119.914 0.049 0.000 2.709 324 V HA 0.557 4.678 4.120 0.001 0.000 0.308 324 V C -0.634 175.512 176.094 0.086 0.000 1.062 324 V CA -0.644 61.684 62.300 0.046 0.000 0.901 324 V CB 1.883 33.767 31.823 0.102 0.000 1.003 324 V HN 1.031 nan 8.190 nan 0.000 0.425 325 M N 3.545 123.167 119.600 0.037 0.000 2.268 325 M HA 0.568 5.049 4.480 0.001 0.000 0.344 325 M C -1.475 174.850 176.300 0.042 0.000 1.106 325 M CA -0.310 54.992 55.300 0.003 0.000 1.010 325 M CB 1.333 33.895 32.600 -0.063 0.000 1.649 325 M HN 0.607 nan 8.290 nan 0.000 0.443 326 D N 4.929 125.341 120.400 0.021 0.000 2.248 326 D HA 0.542 5.182 4.640 0.001 0.000 0.246 326 D C -0.998 175.288 176.300 -0.024 0.000 1.027 326 D CA -0.046 53.968 54.000 0.023 0.000 0.853 326 D CB 1.918 42.754 40.800 0.060 0.000 1.243 326 D HN 0.589 nan 8.370 nan 0.000 0.462 327 I N 2.300 122.881 120.570 0.018 0.000 2.411 327 I HA 0.289 4.460 4.170 0.001 0.000 0.284 327 I C -0.606 175.523 176.117 0.019 0.000 1.012 327 I CA -0.622 60.686 61.300 0.013 0.000 1.119 327 I CB 1.253 39.324 38.000 0.118 0.000 1.261 327 I HN 0.141 nan 8.210 nan 0.000 0.448 328 c N 3.981 122.580 118.600 -0.002 0.000 2.351 328 c HA 0.523 5.093 4.570 0.001 0.000 0.326 328 c C -0.169 174.060 174.090 0.232 0.000 1.272 328 c CA -0.681 55.711 56.329 0.104 0.000 1.650 328 c CB 0.909 43.483 42.510 0.106 0.000 2.257 328 c HN 0.592 nan 8.230 nan 0.000 0.505 329 D N 0.367 120.889 120.400 0.203 0.000 2.185 329 D HA 0.320 4.961 4.640 0.001 0.000 0.247 329 D C -0.655 175.618 176.300 -0.046 0.000 1.027 329 D CA -0.221 53.867 54.000 0.148 0.000 0.861 329 D CB 0.804 41.637 40.800 0.055 0.000 1.202 329 D HN 0.575 nan 8.370 nan 0.000 0.453 330 Y N 1.522 121.514 120.300 -0.514 0.000 2.402 330 Y HA 0.197 4.747 4.550 0.001 0.000 0.333 330 Y C -0.192 175.422 175.900 -0.477 0.000 1.076 330 Y CA -0.269 57.181 58.100 -1.083 0.000 1.299 330 Y CB 0.664 38.346 38.460 -1.296 0.000 1.197 330 Y HN 0.162 nan 8.280 nan 0.000 0.517 331 D N 5.461 125.235 120.400 -1.044 0.000 2.428 331 D HA 0.075 4.715 4.640 0.001 0.000 0.221 331 D C 0.842 176.577 176.300 -0.942 0.000 1.123 331 D CA 0.026 53.603 54.000 -0.704 0.000 0.869 331 D CB 0.853 41.397 40.800 -0.426 0.000 1.032 331 D HN 0.878 nan 8.370 nan 0.000 0.506 332 E N 1.596 121.415 120.200 -0.634 0.000 2.097 332 E HA -0.236 4.115 4.350 0.001 0.000 0.196 332 E C 1.699 178.163 176.600 -0.227 0.000 1.000 332 E CA 1.887 58.070 56.400 -0.361 0.000 0.804 332 E CB 0.326 29.988 29.700 -0.063 0.000 0.740 332 E HN 0.524 nan 8.360 nan 0.000 0.454 333 S N -0.773 114.814 115.700 -0.188 0.000 2.357 333 S HA -0.110 4.361 4.470 0.001 0.000 0.221 333 S C 2.198 176.726 174.600 -0.120 0.000 1.031 333 S CA 1.159 59.292 58.200 -0.112 0.000 0.982 333 S CB -0.245 62.905 63.200 -0.084 0.000 0.853 333 S HN 0.179 nan 8.310 nan 0.000 0.458 334 S N 1.000 116.594 115.700 -0.178 0.000 2.357 334 S HA 0.227 4.697 4.470 0.001 0.000 0.221 334 S C 1.734 176.251 174.600 -0.138 0.000 1.031 334 S CA 1.617 59.730 58.200 -0.146 0.000 0.982 334 S CB -1.069 62.033 63.200 -0.163 0.000 0.853 334 S HN 1.529 nan 8.310 nan 0.000 0.458 335 G N 0.772 109.408 108.800 -0.273 0.000 2.176 335 G HA2 -0.177 3.784 3.960 0.001 0.000 0.253 335 G HA3 -0.177 3.784 3.960 0.001 0.000 0.253 335 G C 0.103 174.962 174.900 -0.069 0.000 0.979 335 G CA 0.225 45.250 45.100 -0.125 0.000 0.641 335 G HN 0.508 nan 8.290 nan 0.000 0.530 336 R N -1.062 119.324 120.500 -0.190 0.000 2.691 336 R HA 0.653 4.994 4.340 0.001 0.000 0.259 336 R C -0.693 175.479 176.300 -0.215 0.000 1.048 336 R CA -1.050 55.016 56.100 -0.056 0.000 1.086 336 R CB 0.417 30.712 30.300 -0.010 0.000 1.166 336 R HN 0.183 nan 8.270 nan 0.000 0.526 337 W N 0.628 121.934 121.300 0.009 0.000 2.376 337 W HA 0.376 5.037 4.660 0.001 0.000 0.312 337 W C -0.281 176.224 176.519 -0.024 0.000 1.060 337 W CA -0.378 56.967 57.345 0.001 0.000 1.221 337 W CB 0.890 30.348 29.460 -0.003 0.000 1.281 337 W HN 0.395 nan 8.180 nan 0.000 0.456 338 N N 2.205 120.972 118.700 0.111 0.000 2.372 338 N HA 0.509 5.250 4.740 0.001 0.000 0.291 338 N C -1.468 174.085 175.510 0.072 0.000 1.024 338 N CA -0.579 52.507 53.050 0.060 0.000 0.873 338 N CB 1.131 39.614 38.487 -0.006 0.000 1.206 338 N HN 0.192 nan 8.380 nan 0.000 0.486 339 c N 2.968 121.599 118.600 0.051 0.000 2.317 339 c HA 0.366 4.937 4.570 0.001 0.000 0.306 339 c C 0.379 174.477 174.090 0.012 0.000 1.087 339 c CA -1.133 55.218 56.329 0.037 0.000 1.529 339 c CB -1.405 41.123 42.510 0.031 0.000 1.880 339 c HN 0.630 nan 8.230 nan 0.000 0.417 340 L N 2.329 123.560 121.223 0.012 0.000 2.559 340 L HA -0.007 4.334 4.340 0.001 0.000 0.274 340 L C 1.741 178.601 176.870 -0.016 0.000 1.205 340 L CA 0.337 55.175 54.840 -0.002 0.000 0.907 340 L CB 0.518 42.579 42.059 0.003 0.000 1.153 340 L HN 0.657 nan 8.230 nan 0.000 0.490 341 V N 4.561 124.458 119.914 -0.028 0.000 2.392 341 V HA -0.309 3.812 4.120 0.001 0.000 0.249 341 V C 2.293 178.352 176.094 -0.058 0.000 1.059 341 V CA 2.269 64.544 62.300 -0.043 0.000 1.051 341 V CB -0.141 31.658 31.823 -0.041 0.000 0.658 341 V HN 1.014 nan 8.190 nan 0.000 0.455 342 A N -0.020 122.772 122.820 -0.046 0.000 2.070 342 A HA -0.155 4.166 4.320 0.001 0.000 0.220 342 A C 2.148 179.682 177.584 -0.084 0.000 1.159 342 A CA 1.637 53.640 52.037 -0.056 0.000 0.656 342 A CB -0.494 18.488 19.000 -0.030 0.000 0.800 342 A HN 0.655 nan 8.150 nan 0.000 0.453 343 R N -0.503 119.961 120.500 -0.060 0.000 2.480 343 R HA 0.169 4.510 4.340 0.001 0.000 0.277 343 R C 0.085 176.301 176.300 -0.140 0.000 1.008 343 R CA -0.145 55.930 56.100 -0.041 0.000 1.090 343 R CB 0.111 30.452 30.300 0.069 0.000 1.234 343 R HN 0.573 nan 8.270 nan 0.000 0.549 344 Q N 0.339 119.999 119.800 -0.233 0.000 2.259 344 Q HA 0.162 4.503 4.340 0.001 0.000 0.249 344 Q C -1.016 174.707 176.000 -0.463 0.000 0.914 344 Q CA -0.184 55.493 55.803 -0.210 0.000 0.904 344 Q CB 1.023 29.695 28.738 -0.111 0.000 1.213 344 Q HN 0.269 nan 8.270 nan 0.000 0.428 345 H N 1.893 120.964 119.070 0.002 0.000 2.658 345 H HA 0.402 4.959 4.556 0.001 0.000 0.337 345 H C -0.818 174.481 175.328 -0.049 0.000 1.009 345 H CA -0.429 55.618 56.048 -0.002 0.000 1.231 345 H CB 1.074 30.824 29.762 -0.020 0.000 1.508 345 H HN 0.457 nan 8.280 nan 0.000 0.517 346 I N 2.278 122.860 120.570 0.020 0.000 2.385 346 I HA 0.238 4.409 4.170 0.001 0.000 0.294 346 I C 0.004 176.063 176.117 -0.096 0.000 0.988 346 I CA -0.236 60.989 61.300 -0.125 0.000 1.265 346 I CB 1.459 39.346 38.000 -0.188 0.000 1.388 346 I HN 0.594 nan 8.210 nan 0.000 0.480 347 E N 8.121 128.209 120.200 -0.187 0.000 2.241 347 E HA 0.582 4.933 4.350 0.001 0.000 0.263 347 E C -1.227 175.266 176.600 -0.179 0.000 0.882 347 E CA -0.701 55.637 56.400 -0.103 0.000 0.769 347 E CB 1.498 31.176 29.700 -0.036 0.000 1.185 347 E HN 0.635 nan 8.360 nan 0.000 0.415 348 M N 1.396 120.929 119.600 -0.113 0.000 2.704 348 M HA 0.667 5.148 4.480 0.001 0.000 0.284 348 M C -1.177 175.118 176.300 -0.009 0.000 1.275 348 M CA -0.959 54.303 55.300 -0.064 0.000 0.811 348 M CB 2.301 34.880 32.600 -0.034 0.000 1.741 348 M HN 0.263 nan 8.290 nan 0.000 0.458 349 S N -0.470 115.236 115.700 0.010 0.000 2.575 349 S HA 0.517 4.988 4.470 0.001 0.000 0.278 349 S C 0.182 174.778 174.600 -0.006 0.000 1.139 349 S CA 0.026 58.220 58.200 -0.010 0.000 0.954 349 S CB 1.740 64.911 63.200 -0.048 0.000 1.054 349 S HN 0.930 nan 8.310 nan 0.000 0.483 350 T N 0.139 114.689 114.554 -0.007 0.000 3.065 350 T HA 0.074 4.425 4.350 0.001 0.000 0.252 350 T C 1.435 176.121 174.700 -0.024 0.000 1.099 350 T CA 0.962 63.059 62.100 -0.004 0.000 1.063 350 T CB -0.330 68.541 68.868 0.004 0.000 0.948 350 T HN 0.697 nan 8.240 nan 0.000 0.506 351 T N -2.450 112.079 114.554 -0.042 0.000 2.990 351 T HA 0.615 4.966 4.350 0.001 0.000 0.250 351 T C 1.107 175.633 174.700 -0.291 0.000 1.041 351 T CA 0.344 62.412 62.100 -0.053 0.000 1.010 351 T CB 0.516 69.425 68.868 0.069 0.000 1.003 351 T HN 0.577 nan 8.240 nan 0.000 0.499 352 G N 0.324 108.794 108.800 -0.550 0.000 2.791 352 G HA2 0.497 4.457 3.960 0.001 0.000 0.158 352 G HA3 0.497 4.457 3.960 0.001 0.000 0.158 352 G C -1.508 173.143 174.900 -0.415 0.000 1.193 352 G CA -0.558 43.983 45.100 -0.931 0.000 1.032 352 G HN 0.472 nan 8.290 nan 0.000 0.557 353 W N -0.327 120.747 121.300 -0.377 0.000 2.380 353 W HA 0.754 5.414 4.660 0.001 0.000 0.441 353 W C -0.441 176.051 176.519 -0.046 0.000 1.762 353 W CA -1.221 56.025 57.345 -0.166 0.000 1.905 353 W CB 0.435 29.769 29.460 -0.210 0.000 1.624 353 W HN 0.267 nan 8.180 nan 0.000 0.717 354 V N 2.476 122.486 119.914 0.160 0.000 2.398 354 V HA 0.740 4.861 4.120 0.001 0.000 0.286 354 V C 0.659 176.829 176.094 0.126 0.000 1.026 354 V CA 0.100 62.440 62.300 0.066 0.000 0.868 354 V CB 0.023 31.885 31.823 0.065 0.000 0.982 354 V HN 1.300 nan 8.190 nan 0.000 0.443 355 G N 4.998 113.821 108.800 0.039 0.000 2.796 355 G HA2 -0.183 3.778 3.960 0.001 0.000 0.571 355 G HA3 -0.183 3.778 3.960 0.001 0.000 0.571 355 G C 0.352 175.320 174.900 0.113 0.000 1.370 355 G CA 0.175 45.320 45.100 0.074 0.000 0.856 355 G HN 0.643 nan 8.290 nan 0.000 0.538 356 R N -0.887 119.669 120.500 0.092 0.000 2.066 356 R HA 0.091 4.432 4.340 0.001 0.000 0.232 356 R C 1.977 178.220 176.300 -0.095 0.000 1.131 356 R CA 2.224 58.319 56.100 -0.008 0.000 0.955 356 R CB -0.109 30.180 30.300 -0.018 0.000 0.851 356 R HN 0.479 nan 8.270 nan 0.000 0.432 357 F N -1.103 118.992 119.950 0.242 0.000 2.819 357 F HA 0.249 4.777 4.527 0.001 0.000 0.325 357 F C 0.379 176.212 175.800 0.056 0.000 1.041 357 F CA -0.439 57.646 58.000 0.141 0.000 1.184 357 F CB 0.747 39.816 39.000 0.117 0.000 1.019 357 F HN -0.111 nan 8.300 nan 0.000 0.590 358 R N -1.146 119.493 120.500 0.232 0.000 2.728 358 R HA 0.432 4.772 4.340 0.001 0.000 0.274 358 R C -3.322 173.034 176.300 0.093 0.000 1.032 358 R CA -1.909 54.255 56.100 0.106 0.000 0.866 358 R CB 0.271 30.574 30.300 0.005 0.000 1.263 358 R HN -0.364 nan 8.270 nan 0.000 0.475 359 P HA -0.042 nan 4.420 nan 0.000 0.262 359 P C -0.274 177.042 177.300 0.026 0.000 1.182 359 P CA 0.272 63.389 63.100 0.028 0.000 0.761 359 P CB 0.702 32.398 31.700 -0.008 0.000 0.795 360 S N 2.245 117.973 115.700 0.047 0.000 2.584 360 S HA 0.123 4.593 4.470 0.001 0.000 0.270 360 S C 0.219 174.837 174.600 0.031 0.000 1.346 360 S CA -0.703 57.540 58.200 0.073 0.000 1.018 360 S CB 0.404 63.667 63.200 0.104 0.000 0.899 360 S HN 0.521 nan 8.310 nan 0.000 0.542 361 E N 1.410 121.650 120.200 0.066 0.000 2.301 361 E HA 0.366 4.717 4.350 0.001 0.000 0.275 361 E C -2.726 173.870 176.600 -0.007 0.000 1.030 361 E CA -2.217 54.178 56.400 -0.008 0.000 0.852 361 E CB 0.385 30.087 29.700 0.003 0.000 1.060 361 E HN 0.450 nan 8.360 nan 0.000 0.401 362 P HA 0.183 nan 4.420 nan 0.000 0.276 362 P C -0.689 176.461 177.300 -0.250 0.000 1.244 362 P CA -0.261 62.640 63.100 -0.331 0.000 0.801 362 P CB 0.751 31.810 31.700 -1.069 0.000 1.006 363 H N 1.392 120.418 119.070 -0.074 0.000 2.866 363 H HA 0.276 4.833 4.556 0.001 0.000 0.287 363 H C -0.245 175.191 175.328 0.180 0.000 1.106 363 H CA -0.351 55.772 56.048 0.125 0.000 1.396 363 H CB 0.121 30.003 29.762 0.199 0.000 1.469 363 H HN 0.294 nan 8.280 nan 0.000 0.500 364 F N 1.774 121.888 119.950 0.273 0.000 2.410 364 F HA 0.047 4.575 4.527 0.001 0.000 0.334 364 F C 1.722 177.714 175.800 0.319 0.000 1.134 364 F CA -0.302 57.883 58.000 0.309 0.000 1.227 364 F CB 0.790 39.906 39.000 0.193 0.000 1.194 364 F HN 0.338 nan 8.300 nan 0.000 0.571 365 T N 0.255 115.120 114.554 0.518 0.000 2.788 365 T HA 0.155 4.505 4.350 0.001 0.000 0.287 365 T C 1.091 175.983 174.700 0.321 0.000 1.007 365 T CA -0.835 61.502 62.100 0.396 0.000 1.005 365 T CB 0.769 69.858 68.868 0.368 0.000 1.012 365 T HN 0.567 nan 8.240 nan 0.000 0.530 366 L N 1.375 122.744 121.223 0.243 0.000 1.978 366 L HA -0.153 4.188 4.340 0.001 0.000 0.218 366 L C 2.010 178.992 176.870 0.186 0.000 1.075 366 L CA 2.671 57.628 54.840 0.194 0.000 0.767 366 L CB -1.341 40.809 42.059 0.153 0.000 0.890 366 L HN 0.952 nan 8.230 nan 0.000 0.434 367 D N -1.307 119.203 120.400 0.182 0.000 2.363 367 D HA 0.087 4.728 4.640 0.001 0.000 0.226 367 D C 1.632 178.041 176.300 0.182 0.000 1.020 367 D CA 0.773 54.870 54.000 0.162 0.000 0.892 367 D CB -0.671 40.214 40.800 0.142 0.000 0.900 367 D HN 0.559 nan 8.370 nan 0.000 0.531 368 G N 0.543 109.489 108.800 0.243 0.000 2.166 368 G HA2 -0.379 3.582 3.960 0.001 0.000 0.260 368 G HA3 -0.379 3.582 3.960 0.001 0.000 0.260 368 G C 0.987 176.083 174.900 0.326 0.000 0.986 368 G CA 0.474 45.740 45.100 0.276 0.000 0.683 368 G HN 0.384 nan 8.290 nan 0.000 0.527 369 N N 0.135 118.997 118.700 0.271 0.000 2.446 369 N HA 0.132 4.873 4.740 0.001 0.000 0.179 369 N C 1.133 176.763 175.510 0.200 0.000 1.054 369 N CA 1.238 54.418 53.050 0.216 0.000 0.905 369 N CB 0.295 38.868 38.487 0.143 0.000 0.973 369 N HN 0.888 nan 8.380 nan 0.000 0.448 370 S N -0.475 115.369 115.700 0.240 0.000 2.638 370 S HA 0.780 5.251 4.470 0.001 0.000 0.274 370 S C -0.912 173.773 174.600 0.142 0.000 1.157 370 S CA -0.976 57.231 58.200 0.012 0.000 0.826 370 S CB 1.973 65.084 63.200 -0.148 0.000 1.139 370 S HN 0.135 nan 8.310 nan 0.000 0.474 371 F N -2.124 117.682 119.950 -0.240 0.000 2.713 371 F HA 0.798 5.325 4.527 0.001 0.000 0.311 371 F C -2.292 173.327 175.800 -0.302 0.000 1.141 371 F CA -1.581 56.230 58.000 -0.314 0.000 0.939 371 F CB 0.514 38.953 39.000 -0.936 0.000 1.325 371 F HN 0.597 nan 8.300 nan 0.000 0.453 372 Y N 1.221 121.721 120.300 0.333 0.000 2.409 372 Y HA 0.707 5.258 4.550 0.001 0.000 0.339 372 Y C -0.244 175.838 175.900 0.302 0.000 1.033 372 Y CA -0.850 57.410 58.100 0.266 0.000 1.094 372 Y CB 2.163 40.703 38.460 0.133 0.000 1.210 372 Y HN 0.761 nan 8.280 nan 0.000 0.456 373 K N 2.826 123.460 120.400 0.391 0.000 2.543 373 K HA 0.525 4.846 4.320 0.001 0.000 0.255 373 K C -1.821 174.914 176.600 0.224 0.000 0.934 373 K CA -0.517 55.947 56.287 0.296 0.000 0.810 373 K CB 1.458 34.107 32.500 0.248 0.000 1.315 373 K HN 0.720 nan 8.250 nan 0.000 0.433 374 I N 6.463 127.131 120.570 0.163 0.000 2.396 374 I HA 0.267 4.438 4.170 0.001 0.000 0.289 374 I C 0.162 176.361 176.117 0.137 0.000 1.056 374 I CA -0.250 61.126 61.300 0.127 0.000 1.365 374 I CB 0.290 38.340 38.000 0.085 0.000 1.407 374 I HN 0.493 nan 8.210 nan 0.000 0.509 375 I N 1.877 122.556 120.570 0.182 0.000 3.095 375 I HA 0.491 4.662 4.170 0.001 0.000 0.310 375 I C -0.321 175.907 176.117 0.185 0.000 1.196 375 I CA -0.831 60.573 61.300 0.173 0.000 0.985 375 I CB 2.137 40.257 38.000 0.200 0.000 1.250 375 I HN 0.338 nan 8.210 nan 0.000 0.446 376 S N 2.772 118.519 115.700 0.078 0.000 2.505 376 S HA 0.255 4.726 4.470 0.001 0.000 0.276 376 S C -0.067 174.566 174.600 0.054 0.000 1.274 376 S CA -0.511 57.679 58.200 -0.016 0.000 1.053 376 S CB -0.234 62.894 63.200 -0.119 0.000 0.919 376 S HN 0.815 nan 8.310 nan 0.000 0.490 377 N N 3.987 122.624 118.700 -0.106 0.000 2.418 377 N HA 0.217 4.958 4.740 0.001 0.000 0.283 377 N C 0.733 176.146 175.510 -0.162 0.000 1.267 377 N CA -0.478 52.389 53.050 -0.305 0.000 0.975 377 N CB -0.009 37.898 38.487 -0.968 0.000 1.167 377 N HN 0.507 nan 8.380 nan 0.000 0.581 378 E N -0.354 119.751 120.200 -0.158 0.000 2.267 378 E HA -0.149 4.201 4.350 0.001 0.000 0.197 378 E C 0.655 177.202 176.600 -0.090 0.000 0.998 378 E CA 1.020 57.366 56.400 -0.090 0.000 0.830 378 E CB -0.089 29.567 29.700 -0.073 0.000 0.751 378 E HN 0.624 nan 8.360 nan 0.000 0.491 379 E N -0.524 119.618 120.200 -0.097 0.000 2.478 379 E HA 0.059 4.410 4.350 0.001 0.000 0.194 379 E C 1.336 177.921 176.600 -0.024 0.000 1.045 379 E CA 0.689 57.084 56.400 -0.007 0.000 0.868 379 E CB 0.293 30.030 29.700 0.062 0.000 0.885 379 E HN 0.335 nan 8.360 nan 0.000 0.505 380 G N 0.829 109.554 108.800 -0.126 0.000 2.141 380 G HA2 -0.270 3.691 3.960 0.001 0.000 0.231 380 G HA3 -0.270 3.691 3.960 0.001 0.000 0.231 380 G C -0.344 174.280 174.900 -0.459 0.000 0.984 380 G CA -0.094 44.827 45.100 -0.298 0.000 0.660 380 G HN 0.215 nan 8.290 nan 0.000 0.525 381 Y N 0.342 120.504 120.300 -0.229 0.000 2.342 381 Y HA 0.642 5.193 4.550 0.001 0.000 0.334 381 Y C 1.154 176.880 175.900 -0.291 0.000 1.067 381 Y CA -0.881 57.065 58.100 -0.256 0.000 1.128 381 Y CB 1.035 39.367 38.460 -0.214 0.000 1.200 381 Y HN 0.075 nan 8.280 nan 0.000 0.464 382 R N 3.863 124.208 120.500 -0.259 0.000 2.296 382 R HA 0.237 4.578 4.340 0.001 0.000 0.323 382 R C -0.682 175.314 176.300 -0.507 0.000 1.067 382 R CA 0.030 55.982 56.100 -0.247 0.000 0.946 382 R CB 0.025 30.230 30.300 -0.158 0.000 0.991 382 R HN 0.664 nan 8.270 nan 0.000 0.448 383 H N 1.767 120.796 119.070 -0.068 0.000 2.908 383 H HA 0.369 4.926 4.556 0.001 0.000 0.350 383 H C -0.086 175.302 175.328 0.101 0.000 1.217 383 H CA -0.964 55.029 56.048 -0.091 0.000 1.168 383 H CB 1.598 31.201 29.762 -0.264 0.000 1.891 383 H HN 0.297 nan 8.280 nan 0.000 0.566 384 I N 1.207 121.865 120.570 0.146 0.000 2.371 384 I HA 0.094 4.264 4.170 0.001 0.000 0.290 384 I C 0.265 176.414 176.117 0.054 0.000 1.028 384 I CA -0.047 61.296 61.300 0.072 0.000 1.345 384 I CB 0.570 38.522 38.000 -0.080 0.000 1.407 384 I HN 0.135 nan 8.210 nan 0.000 0.501 385 c N 6.990 125.544 118.600 -0.076 0.000 2.411 385 c HA 0.445 5.016 4.570 0.001 0.000 0.330 385 c C -0.458 173.482 174.090 -0.250 0.000 1.224 385 c CA -0.474 55.569 56.329 -0.478 0.000 1.770 385 c CB 1.035 42.943 42.510 -1.005 0.000 2.297 385 c HN 0.642 nan 8.230 nan 0.000 0.507 386 Y N 4.577 124.548 120.300 -0.548 0.000 2.335 386 Y HA 0.641 5.192 4.550 0.001 0.000 0.339 386 Y C -0.981 174.482 175.900 -0.729 0.000 0.987 386 Y CA -1.011 56.724 58.100 -0.608 0.000 1.140 386 Y CB 0.217 38.416 38.460 -0.436 0.000 1.173 386 Y HN 0.628 nan 8.280 nan 0.000 0.486 387 F N 3.821 123.074 119.950 -1.160 0.000 2.492 387 F HA 0.445 4.973 4.527 0.001 0.000 0.327 387 F C -0.068 174.968 175.800 -1.273 0.000 1.079 387 F CA -0.952 56.268 58.000 -1.300 0.000 0.967 387 F CB 1.549 39.390 39.000 -1.931 0.000 1.169 387 F HN 0.284 nan 8.300 nan 0.000 0.472 388 Q N 2.278 121.720 119.800 -0.597 0.000 2.256 388 Q HA 0.332 4.673 4.340 0.001 0.000 0.257 388 Q C 0.973 176.903 176.000 -0.118 0.000 0.936 388 Q CA -0.277 55.307 55.803 -0.366 0.000 0.903 388 Q CB 1.536 30.125 28.738 -0.249 0.000 1.263 388 Q HN 0.715 nan 8.270 nan 0.000 0.440 389 I N -0.674 119.923 120.570 0.046 0.000 2.454 389 I HA -0.110 4.061 4.170 0.001 0.000 0.254 389 I C 0.416 176.724 176.117 0.317 0.000 1.156 389 I CA 1.415 62.898 61.300 0.306 0.000 1.433 389 I CB 0.044 38.246 38.000 0.338 0.000 1.082 389 I HN 0.431 nan 8.210 nan 0.000 0.432 390 D N 0.760 121.250 120.400 0.151 0.000 2.755 390 D HA 0.274 4.915 4.640 0.001 0.000 0.257 390 D C -0.322 176.007 176.300 0.048 0.000 1.291 390 D CA -0.332 53.716 54.000 0.080 0.000 0.836 390 D CB 0.339 41.167 40.800 0.047 0.000 1.059 390 D HN 0.192 nan 8.370 nan 0.000 0.486 391 K N 0.348 120.811 120.400 0.105 0.000 2.443 391 K HA 0.313 4.634 4.320 0.001 0.000 0.252 391 K C 0.855 177.533 176.600 0.131 0.000 0.933 391 K CA -0.659 55.657 56.287 0.049 0.000 0.792 391 K CB 2.165 34.645 32.500 -0.034 0.000 1.185 391 K HN -0.352 nan 8.250 nan 0.000 0.425 392 K N 0.595 121.021 120.400 0.042 0.000 2.103 392 K HA 0.020 4.341 4.320 0.001 0.000 0.204 392 K C -0.361 176.267 176.600 0.047 0.000 1.052 392 K CA 1.106 57.431 56.287 0.064 0.000 0.945 392 K CB 0.171 32.672 32.500 0.000 0.000 0.722 392 K HN 0.594 nan 8.250 nan 0.000 0.443 393 D N 1.016 121.382 120.400 -0.057 0.000 2.225 393 D HA 0.096 4.736 4.640 0.001 0.000 0.248 393 D C 0.296 176.387 176.300 -0.349 0.000 1.096 393 D CA -0.311 53.589 54.000 -0.167 0.000 0.863 393 D CB 1.344 42.061 40.800 -0.138 0.000 1.156 393 D HN 0.166 nan 8.370 nan 0.000 0.450 394 c N 0.446 118.678 118.600 -0.615 0.000 2.401 394 c HA 0.830 5.401 4.570 0.001 0.000 0.356 394 c C 0.171 173.853 174.090 -0.680 0.000 1.192 394 c CA -0.546 55.190 56.329 -0.989 0.000 2.028 394 c CB 1.084 42.318 42.510 -2.126 0.000 2.344 394 c HN 0.490 nan 8.230 nan 0.000 0.525 395 T N 1.988 116.196 114.554 -0.577 0.000 2.786 395 T HA 0.478 4.829 4.350 0.001 0.000 0.283 395 T C -0.729 173.767 174.700 -0.341 0.000 0.992 395 T CA 0.110 62.022 62.100 -0.312 0.000 0.954 395 T CB 0.479 69.304 68.868 -0.072 0.000 0.934 395 T HN 0.496 nan 8.240 nan 0.000 0.440 396 F N 3.243 123.081 119.950 -0.185 0.000 2.495 396 F HA 0.258 4.786 4.527 0.001 0.000 0.365 396 F C 1.684 177.326 175.800 -0.264 0.000 1.090 396 F CA -0.860 57.014 58.000 -0.209 0.000 1.235 396 F CB 0.438 39.313 39.000 -0.209 0.000 1.119 396 F HN 0.582 nan 8.300 nan 0.000 0.562 397 I N -0.778 119.672 120.570 -0.200 0.000 3.941 397 I HA 0.204 4.374 4.170 0.001 0.000 0.321 397 I C 0.308 176.250 176.117 -0.291 0.000 1.284 397 I CA 0.137 61.097 61.300 -0.567 0.000 1.226 397 I CB -0.005 37.377 38.000 -1.030 0.000 1.045 397 I HN 0.492 nan 8.210 nan 0.000 0.420 398 T N 0.355 114.803 114.554 -0.177 0.000 2.916 398 T HA 0.735 5.085 4.350 0.001 0.000 0.292 398 T C -0.666 173.697 174.700 -0.560 0.000 1.055 398 T CA -0.700 61.287 62.100 -0.188 0.000 1.009 398 T CB 2.655 71.481 68.868 -0.070 0.000 1.118 398 T HN 0.497 nan 8.240 nan 0.000 0.497 399 K N -0.430 119.475 120.400 -0.825 0.000 2.642 399 K HA 0.761 5.082 4.320 0.001 0.000 0.290 399 K C -0.521 175.454 176.600 -1.042 0.000 1.006 399 K CA -0.958 54.539 56.287 -1.317 0.000 0.869 399 K CB 1.273 33.369 32.500 -0.674 0.000 1.499 399 K HN 1.582 nan 8.250 nan 0.000 0.403 400 G N -0.002 108.197 108.800 -1.001 0.000 2.340 400 G HA2 0.095 4.055 3.960 0.001 0.000 0.527 400 G HA3 0.095 4.055 3.960 0.001 0.000 0.527 400 G C -0.738 173.623 174.900 -0.899 0.000 1.381 400 G CA -0.411 44.269 45.100 -0.701 0.000 1.001 400 G HN 1.054 nan 8.290 nan 0.000 0.626 401 T N -0.264 113.909 114.554 -0.636 0.000 4.098 401 T HA 0.559 4.910 4.350 0.001 0.000 0.291 401 T C 0.253 174.787 174.700 -0.277 0.000 1.440 401 T CA 0.606 62.143 62.100 -0.937 0.000 1.164 401 T CB -0.948 67.610 68.868 -0.516 0.000 1.313 401 T HN 1.583 nan 8.240 nan 0.000 0.951 402 W N -0.207 120.965 121.300 -0.214 0.000 2.881 402 W HA 0.623 5.284 4.660 0.001 0.000 0.380 402 W C -1.569 174.952 176.519 0.003 0.000 1.170 402 W CA -0.978 56.372 57.345 0.007 0.000 1.171 402 W CB 0.604 30.052 29.460 -0.019 0.000 1.464 402 W HN 0.232 nan 8.180 nan 0.000 0.574 403 E N 0.665 121.082 120.200 0.361 0.000 2.393 403 E HA 0.472 4.822 4.350 0.001 0.000 0.273 403 E C -1.265 175.475 176.600 0.233 0.000 0.918 403 E CA -1.153 55.248 56.400 0.001 0.000 0.773 403 E CB 3.355 33.062 29.700 0.012 0.000 1.275 403 E HN 0.162 nan 8.360 nan 0.000 0.451 404 V N 3.263 123.174 119.914 -0.004 0.000 2.498 404 V HA 0.042 4.163 4.120 0.001 0.000 0.279 404 V C 1.076 177.256 176.094 0.144 0.000 1.048 404 V CA -0.077 62.307 62.300 0.140 0.000 0.967 404 V CB 0.767 32.556 31.823 -0.057 0.000 0.988 404 V HN 0.666 nan 8.190 nan 0.000 0.473 405 I N 2.909 123.596 120.570 0.195 0.000 2.429 405 I HA 0.294 4.464 4.170 0.001 0.000 0.247 405 I C 1.092 177.316 176.117 0.177 0.000 1.099 405 I CA 1.131 62.540 61.300 0.180 0.000 1.422 405 I CB -0.758 37.298 38.000 0.093 0.000 1.112 405 I HN 0.735 nan 8.210 nan 0.000 0.430 406 G N 0.667 109.572 108.800 0.175 0.000 2.673 406 G HA2 0.570 4.530 3.960 0.001 0.000 0.292 406 G HA3 0.570 4.530 3.960 0.001 0.000 0.292 406 G C -1.356 173.621 174.900 0.128 0.000 1.450 406 G CA -0.514 44.677 45.100 0.152 0.000 0.837 406 G HN -0.046 nan 8.290 nan 0.000 0.505 407 I N 1.230 121.795 120.570 -0.007 0.000 2.395 407 I HA 0.286 4.457 4.170 0.001 0.000 0.289 407 I C 0.729 176.803 176.117 -0.071 0.000 1.023 407 I CA -0.465 60.744 61.300 -0.152 0.000 1.350 407 I CB 1.765 39.389 38.000 -0.627 0.000 1.409 407 I HN 0.509 nan 8.210 nan 0.000 0.507 408 E N 4.699 124.905 120.200 0.011 0.000 2.399 408 E HA 0.372 4.722 4.350 0.001 0.000 0.205 408 E C -0.074 176.452 176.600 -0.123 0.000 0.906 408 E CA 0.158 56.594 56.400 0.060 0.000 0.998 408 E CB 1.050 30.866 29.700 0.194 0.000 1.002 408 E HN 0.636 nan 8.360 nan 0.000 0.501 409 A N 0.829 123.476 122.820 -0.288 0.000 2.589 409 A HA 0.605 4.926 4.320 0.001 0.000 0.296 409 A C -1.981 175.526 177.584 -0.128 0.000 1.062 409 A CA -0.617 51.160 52.037 -0.433 0.000 0.686 409 A CB 1.347 19.456 19.000 -1.485 0.000 1.282 409 A HN 0.036 nan 8.150 nan 0.000 0.404 410 L N 1.669 122.869 121.223 -0.039 0.000 2.438 410 L HA 0.834 5.175 4.340 0.001 0.000 0.270 410 L C 0.150 177.063 176.870 0.072 0.000 0.972 410 L CA 0.478 55.336 54.840 0.031 0.000 0.831 410 L CB 2.067 44.170 42.059 0.074 0.000 1.273 410 L HN 1.194 nan 8.230 nan 0.000 0.405 411 T N -0.362 114.252 114.554 0.100 0.000 2.883 411 T HA 0.430 4.781 4.350 0.001 0.000 0.284 411 T C 0.932 175.679 174.700 0.078 0.000 1.041 411 T CA 0.074 62.242 62.100 0.113 0.000 1.007 411 T CB 1.252 70.223 68.868 0.173 0.000 1.220 411 T HN 0.633 nan 8.240 nan 0.000 0.552 412 S N -0.750 114.995 115.700 0.073 0.000 2.515 412 S HA -0.012 4.459 4.470 0.001 0.000 0.231 412 S C 0.722 175.308 174.600 -0.023 0.000 0.987 412 S CA 0.674 58.902 58.200 0.047 0.000 0.936 412 S CB -0.405 62.828 63.200 0.055 0.000 0.766 412 S HN 0.702 nan 8.310 nan 0.000 0.528 413 D N -0.837 119.533 120.400 -0.049 0.000 2.455 413 D HA 0.265 4.906 4.640 0.001 0.000 0.228 413 D C -0.582 175.409 176.300 -0.515 0.000 1.070 413 D CA 0.484 54.333 54.000 -0.252 0.000 0.881 413 D CB 0.460 41.128 40.800 -0.220 0.000 1.087 413 D HN 0.422 nan 8.370 nan 0.000 0.498 414 Y N -0.137 120.101 120.300 -0.104 0.000 2.588 414 Y HA 0.474 5.025 4.550 0.001 0.000 0.343 414 Y C -0.763 174.959 175.900 -0.297 0.000 1.065 414 Y CA -1.037 56.910 58.100 -0.256 0.000 1.038 414 Y CB 2.521 40.704 38.460 -0.462 0.000 1.297 414 Y HN -0.289 nan 8.280 nan 0.000 0.467 415 L N 2.446 123.548 121.223 -0.201 0.000 2.356 415 L HA 0.619 4.959 4.340 0.001 0.000 0.277 415 L C -1.928 174.815 176.870 -0.213 0.000 0.996 415 L CA -0.587 54.122 54.840 -0.217 0.000 0.822 415 L CB 0.973 42.804 42.059 -0.380 0.000 1.256 415 L HN 0.603 nan 8.230 nan 0.000 0.413 416 Y N 4.887 125.105 120.300 -0.136 0.000 2.330 416 Y HA 0.569 5.119 4.550 0.001 0.000 0.336 416 Y C -0.415 175.481 175.900 -0.007 0.000 1.036 416 Y CA -0.330 57.683 58.100 -0.145 0.000 1.125 416 Y CB 1.327 39.565 38.460 -0.370 0.000 1.194 416 Y HN 0.545 nan 8.280 nan 0.000 0.469 417 Y N 0.032 120.386 120.300 0.091 0.000 2.638 417 Y HA 0.785 5.336 4.550 0.001 0.000 0.335 417 Y C -1.797 174.191 175.900 0.146 0.000 1.155 417 Y CA -1.986 56.163 58.100 0.081 0.000 1.046 417 Y CB 1.092 39.572 38.460 0.033 0.000 1.303 417 Y HN 0.420 nan 8.280 nan 0.000 0.460 418 I N 3.119 123.849 120.570 0.266 0.000 2.412 418 I HA 0.626 4.797 4.170 0.001 0.000 0.296 418 I C -0.321 175.985 176.117 0.314 0.000 0.987 418 I CA -0.477 60.933 61.300 0.183 0.000 1.180 418 I CB 1.916 39.976 38.000 0.101 0.000 1.340 418 I HN 0.871 nan 8.210 nan 0.000 0.455 419 S N 3.305 119.162 115.700 0.261 0.000 2.685 419 S HA 0.428 4.899 4.470 0.001 0.000 0.282 419 S C -0.524 174.137 174.600 0.101 0.000 1.159 419 S CA -0.875 57.463 58.200 0.230 0.000 0.833 419 S CB 1.772 65.097 63.200 0.209 0.000 1.151 419 S HN 0.648 nan 8.310 nan 0.000 0.485 420 N N -0.436 118.316 118.700 0.086 0.000 2.389 420 N HA 0.147 4.888 4.740 0.001 0.000 0.260 420 N C 0.524 176.017 175.510 -0.030 0.000 1.191 420 N CA -0.290 52.768 53.050 0.014 0.000 0.885 420 N CB 0.287 38.770 38.487 -0.007 0.000 1.162 420 N HN 0.829 nan 8.380 nan 0.000 0.512 421 E N -0.054 119.988 120.200 -0.262 0.000 2.072 421 E HA -0.202 4.149 4.350 0.001 0.000 0.191 421 E C -0.321 176.146 176.600 -0.222 0.000 0.985 421 E CA 0.253 56.269 56.400 -0.639 0.000 0.801 421 E CB -0.103 28.567 29.700 -1.716 0.000 0.750 421 E HN 0.374 nan 8.360 nan 0.000 0.452 422 Y N 2.210 122.423 120.300 -0.144 0.000 2.881 422 Y HA -0.168 4.382 4.550 0.001 0.000 0.335 422 Y C 0.418 176.286 175.900 -0.054 0.000 1.263 422 Y CA 0.959 59.022 58.100 -0.061 0.000 1.572 422 Y CB 0.028 38.476 38.460 -0.020 0.000 1.237 422 Y HN 0.115 nan 8.280 nan 0.000 0.568 423 K N 3.391 123.508 120.400 -0.473 0.000 3.104 423 K HA -0.260 4.060 4.320 0.001 0.000 0.285 423 K C 0.888 177.418 176.600 -0.117 0.000 1.136 423 K CA 0.812 56.877 56.287 -0.370 0.000 0.842 423 K CB -1.787 30.419 32.500 -0.489 0.000 1.217 423 K HN 1.275 nan 8.250 nan 0.000 0.467 424 G N 0.650 109.404 108.800 -0.075 0.000 2.258 424 G HA2 -0.335 3.626 3.960 0.001 0.000 0.274 424 G HA3 -0.335 3.626 3.960 0.001 0.000 0.274 424 G C 0.043 174.940 174.900 -0.005 0.000 1.021 424 G CA 0.840 45.947 45.100 0.011 0.000 0.798 424 G HN 0.354 nan 8.290 nan 0.000 0.507 425 M N 1.082 120.602 119.600 -0.133 0.000 2.111 425 M HA 0.217 4.698 4.480 0.001 0.000 0.351 425 M C -0.678 175.391 176.300 -0.385 0.000 1.214 425 M CA -1.963 53.093 55.300 -0.407 0.000 1.120 425 M CB 1.426 33.848 32.600 -0.297 0.000 1.443 425 M HN -0.037 nan 8.290 nan 0.000 0.429 426 P HA -0.112 nan 4.420 nan 0.000 0.221 426 P C 0.965 178.125 177.300 -0.233 0.000 1.145 426 P CA 1.260 64.204 63.100 -0.261 0.000 0.795 426 P CB 0.125 31.686 31.700 -0.231 0.000 0.775 427 G N -0.663 107.925 108.800 -0.353 0.000 3.233 427 G HA2 0.321 4.282 3.960 0.001 0.000 0.227 427 G HA3 0.321 4.282 3.960 0.001 0.000 0.227 427 G C 0.625 175.510 174.900 -0.025 0.000 1.175 427 G CA 0.087 45.101 45.100 -0.144 0.000 0.781 427 G HN 0.447 nan 8.290 nan 0.000 0.542 428 G N -0.168 108.565 108.800 -0.111 0.000 2.454 428 G HA2 0.660 4.621 3.960 0.001 0.000 0.329 428 G HA3 0.660 4.621 3.960 0.001 0.000 0.329 428 G C -0.879 173.894 174.900 -0.213 0.000 1.177 428 G CA -0.806 44.255 45.100 -0.065 0.000 0.951 428 G HN 0.090 nan 8.290 nan 0.000 0.485 429 R N 1.199 121.525 120.500 -0.289 0.000 2.574 429 R HA 0.436 4.777 4.340 0.001 0.000 0.288 429 R C -1.271 174.985 176.300 -0.073 0.000 1.004 429 R CA -0.810 55.105 56.100 -0.308 0.000 0.895 429 R CB 2.219 32.090 30.300 -0.716 0.000 1.191 429 R HN 0.593 nan 8.270 nan 0.000 0.444 430 N N 1.570 120.253 118.700 -0.027 0.000 2.357 430 N HA 0.328 5.069 4.740 0.001 0.000 0.284 430 N C -1.314 174.046 175.510 -0.249 0.000 1.236 430 N CA -0.838 52.117 53.050 -0.159 0.000 0.774 430 N CB 2.687 40.968 38.487 -0.343 0.000 1.534 430 N HN 0.239 nan 8.380 nan 0.000 0.478 431 L N 2.126 123.063 121.223 -0.478 0.000 2.276 431 L HA 0.463 4.804 4.340 0.001 0.000 0.286 431 L C -1.410 175.054 176.870 -0.676 0.000 1.061 431 L CA 0.066 54.651 54.840 -0.426 0.000 0.807 431 L CB -0.194 41.621 42.059 -0.406 0.000 1.177 431 L HN 0.414 nan 8.230 nan 0.000 0.429 432 Y N 3.495 123.446 120.300 -0.581 0.000 2.570 432 Y HA 0.648 5.198 4.550 0.001 0.000 0.345 432 Y C -0.447 175.084 175.900 -0.615 0.000 1.014 432 Y CA -0.894 56.797 58.100 -0.681 0.000 1.063 432 Y CB 1.721 39.551 38.460 -1.049 0.000 1.272 432 Y HN 0.559 nan 8.280 nan 0.000 0.477 433 K N 1.753 121.980 120.400 -0.288 0.000 2.422 433 K HA 0.795 5.115 4.320 0.001 0.000 0.251 433 K C -1.924 174.637 176.600 -0.065 0.000 0.933 433 K CA -0.768 55.281 56.287 -0.398 0.000 0.798 433 K CB 2.981 34.990 32.500 -0.819 0.000 1.238 433 K HN 0.753 nan 8.250 nan 0.000 0.428 434 I N 1.726 122.334 120.570 0.062 0.000 2.498 434 I HA 0.164 4.335 4.170 0.001 0.000 0.290 434 I C -0.862 175.343 176.117 0.147 0.000 1.032 434 I CA -0.829 60.573 61.300 0.169 0.000 1.073 434 I CB 2.222 40.333 38.000 0.185 0.000 1.251 434 I HN 0.837 nan 8.210 nan 0.000 0.426 435 Q N 6.067 125.926 119.800 0.098 0.000 2.262 435 Q HA 0.151 4.492 4.340 0.001 0.000 0.272 435 Q C 0.559 176.493 176.000 -0.109 0.000 1.076 435 Q CA -0.006 55.666 55.803 -0.220 0.000 0.905 435 Q CB 0.945 29.592 28.738 -0.151 0.000 1.182 435 Q HN 0.778 nan 8.270 nan 0.000 0.390 436 L N 2.299 123.404 121.223 -0.197 0.000 2.265 436 L HA -0.180 4.161 4.340 0.001 0.000 0.215 436 L C 2.155 178.949 176.870 -0.127 0.000 1.117 436 L CA 1.251 56.071 54.840 -0.035 0.000 0.782 436 L CB -0.379 41.619 42.059 -0.101 0.000 0.914 436 L HN 0.655 nan 8.230 nan 0.000 0.441 437 S N -2.524 113.051 115.700 -0.207 0.000 2.528 437 S HA -0.038 4.433 4.470 0.001 0.000 0.219 437 S C 0.536 174.960 174.600 -0.294 0.000 0.985 437 S CA 0.068 58.128 58.200 -0.234 0.000 0.914 437 S CB 0.107 63.203 63.200 -0.173 0.000 0.776 437 S HN 0.356 nan 8.310 nan 0.000 0.526 438 D N -0.055 120.187 120.400 -0.263 0.000 2.337 438 D HA 0.213 4.853 4.640 0.001 0.000 0.238 438 D C -0.565 175.703 176.300 -0.054 0.000 1.331 438 D CA -0.584 53.289 54.000 -0.211 0.000 0.967 438 D CB 0.084 40.817 40.800 -0.112 0.000 1.382 438 D HN -0.003 nan 8.370 nan 0.000 0.549 439 Y N 0.901 121.181 120.300 -0.032 0.000 2.716 439 Y HA -0.082 4.469 4.550 0.001 0.000 0.302 439 Y C 2.465 178.371 175.900 0.010 0.000 1.160 439 Y CA 1.315 59.408 58.100 -0.012 0.000 1.362 439 Y CB -1.012 37.442 38.460 -0.010 0.000 0.988 439 Y HN 0.392 nan 8.280 nan 0.000 0.546 440 T N -3.388 111.241 114.554 0.126 0.000 3.067 440 T HA 0.012 4.363 4.350 0.001 0.000 0.257 440 T C 0.783 175.534 174.700 0.085 0.000 1.105 440 T CA 0.072 62.227 62.100 0.090 0.000 1.104 440 T CB -0.002 68.894 68.868 0.047 0.000 0.925 440 T HN -0.078 nan 8.240 nan 0.000 0.498 441 K N 2.716 123.167 120.400 0.085 0.000 2.142 441 K HA 0.441 4.761 4.320 0.001 0.000 0.250 441 K C -0.974 175.698 176.600 0.121 0.000 1.148 441 K CA -0.176 56.163 56.287 0.086 0.000 1.040 441 K CB 0.773 33.313 32.500 0.067 0.000 1.569 441 K HN 0.205 nan 8.250 nan 0.000 0.361 442 V N 2.391 122.375 119.914 0.118 0.000 2.398 442 V HA 0.245 4.366 4.120 0.001 0.000 0.286 442 V C 0.102 176.258 176.094 0.103 0.000 1.026 442 V CA -0.521 61.861 62.300 0.137 0.000 0.868 442 V CB 1.735 33.654 31.823 0.161 0.000 0.982 442 V HN 0.507 nan 8.190 nan 0.000 0.443 443 T N 3.808 118.396 114.554 0.056 0.000 2.792 443 T HA 0.248 4.599 4.350 0.001 0.000 0.280 443 T C -0.346 174.279 174.700 -0.123 0.000 0.990 443 T CA -0.277 61.806 62.100 -0.028 0.000 0.960 443 T CB 1.178 69.996 68.868 -0.084 0.000 0.939 443 T HN 0.753 nan 8.240 nan 0.000 0.439 444 C N 4.985 124.152 119.300 -0.222 0.000 2.499 444 C HA 0.443 4.904 4.460 0.001 0.000 0.386 444 C C 1.550 176.233 174.990 -0.511 0.000 1.293 444 C CA -0.531 58.100 59.018 -0.645 0.000 1.884 444 C CB -1.597 25.684 27.740 -0.766 0.000 2.509 444 C HN 0.994 nan 8.230 nan 0.000 0.566 445 L N 4.623 125.500 121.223 -0.575 0.000 2.554 445 L HA 0.128 4.469 4.340 0.001 0.000 0.225 445 L C 2.044 178.608 176.870 -0.510 0.000 1.104 445 L CA 0.674 55.259 54.840 -0.425 0.000 0.866 445 L CB -0.189 41.663 42.059 -0.345 0.000 1.047 445 L HN 0.873 nan 8.230 nan 0.000 0.468 446 S N -3.016 112.267 115.700 -0.695 0.000 2.593 446 S HA -0.018 4.453 4.470 0.001 0.000 0.235 446 S C 1.843 176.072 174.600 -0.618 0.000 1.059 446 S CA 0.008 57.698 58.200 -0.851 0.000 0.953 446 S CB -0.313 61.979 63.200 -1.513 0.000 0.897 446 S HN 0.287 nan 8.310 nan 0.000 0.507 447 C N 2.214 121.108 119.300 -0.677 0.000 2.375 447 C HA -0.069 4.392 4.460 0.001 0.000 0.274 447 C C 2.491 177.205 174.990 -0.461 0.000 1.190 447 C CA 1.667 60.206 59.018 -0.799 0.000 1.775 447 C CB -1.150 25.789 27.740 -1.335 0.000 2.067 447 C HN 0.613 nan 8.230 nan 0.000 0.463 448 E N -0.094 119.907 120.200 -0.332 0.000 2.474 448 E HA 0.184 4.535 4.350 0.001 0.000 0.195 448 E C 1.878 178.431 176.600 -0.078 0.000 1.039 448 E CA -0.063 56.248 56.400 -0.148 0.000 0.881 448 E CB -0.244 29.385 29.700 -0.118 0.000 0.970 448 E HN 0.565 nan 8.360 nan 0.000 0.486 449 L N 0.238 121.409 121.223 -0.086 0.000 2.042 449 L HA -0.113 4.228 4.340 0.001 0.000 0.210 449 L C 0.898 177.784 176.870 0.027 0.000 1.076 449 L CA 0.986 55.816 54.840 -0.016 0.000 0.749 449 L CB -0.050 42.016 42.059 0.011 0.000 0.893 449 L HN 0.127 nan 8.230 nan 0.000 0.432 450 N N -1.639 117.093 118.700 0.052 0.000 3.029 450 N HA 0.059 4.800 4.740 0.001 0.000 0.198 450 N C -2.074 173.467 175.510 0.052 0.000 1.444 450 N CA -0.792 52.283 53.050 0.042 0.000 0.784 450 N CB 0.636 39.144 38.487 0.034 0.000 1.539 450 N HN -0.202 nan 8.380 nan 0.000 0.582 451 P HA -0.176 nan 4.420 nan 0.000 0.217 451 P C 0.718 178.061 177.300 0.072 0.000 1.151 451 P CA 1.383 64.540 63.100 0.095 0.000 0.849 451 P CB 0.647 32.420 31.700 0.122 0.000 0.787 452 E N -0.641 119.583 120.200 0.041 0.000 2.112 452 E HA -0.106 4.245 4.350 0.001 0.000 0.190 452 E C 2.428 179.028 176.600 0.000 0.000 0.979 452 E CA 0.542 56.955 56.400 0.022 0.000 0.814 452 E CB -0.168 29.539 29.700 0.012 0.000 0.762 452 E HN 0.199 nan 8.360 nan 0.000 0.460 453 R N -0.199 120.291 120.500 -0.016 0.000 2.156 453 R HA 0.084 4.425 4.340 0.001 0.000 0.207 453 R C -0.127 176.121 176.300 -0.085 0.000 1.040 453 R CA 0.535 56.602 56.100 -0.054 0.000 1.013 453 R CB 0.454 30.715 30.300 -0.065 0.000 0.931 453 R HN 0.065 nan 8.270 nan 0.000 0.465 454 c N 0.870 119.425 118.600 -0.074 0.000 2.322 454 c HA 0.428 4.999 4.570 0.001 0.000 0.324 454 c C 0.002 174.046 174.090 -0.076 0.000 1.249 454 c CA -0.669 55.547 56.329 -0.187 0.000 1.453 454 c CB 1.411 43.735 42.510 -0.311 0.000 2.145 454 c HN 0.532 nan 8.230 nan 0.000 0.466 455 Q N 0.366 120.115 119.800 -0.085 0.000 2.081 455 Q HA 0.194 4.535 4.340 0.001 0.000 0.220 455 Q C -1.003 175.039 176.000 0.070 0.000 0.775 455 Q CA 0.092 55.929 55.803 0.057 0.000 0.983 455 Q CB 1.286 30.078 28.738 0.090 0.000 1.188 455 Q HN 0.797 nan 8.270 nan 0.000 0.458 456 Y N 0.450 120.619 120.300 -0.218 0.000 2.400 456 Y HA 0.362 4.913 4.550 0.001 0.000 0.335 456 Y C -1.628 174.117 175.900 -0.259 0.000 1.066 456 Y CA -1.076 56.933 58.100 -0.151 0.000 1.285 456 Y CB 0.626 39.013 38.460 -0.120 0.000 1.103 456 Y HN -0.079 nan 8.280 nan 0.000 0.490 457 Y N 1.749 122.019 120.300 -0.050 0.000 2.496 457 Y HA 0.703 5.254 4.550 0.001 0.000 0.331 457 Y C 0.398 176.274 175.900 -0.039 0.000 1.140 457 Y CA -0.524 57.548 58.100 -0.047 0.000 1.166 457 Y CB 2.277 40.667 38.460 -0.116 0.000 1.249 457 Y HN 0.412 nan 8.280 nan 0.000 0.479 458 S N 0.462 116.279 115.700 0.195 0.000 2.595 458 S HA 0.808 5.279 4.470 0.001 0.000 0.281 458 S C -1.781 172.903 174.600 0.139 0.000 1.117 458 S CA -0.621 57.668 58.200 0.148 0.000 0.873 458 S CB 1.640 64.933 63.200 0.155 0.000 1.108 458 S HN 0.478 nan 8.310 nan 0.000 0.477 459 V N 1.590 121.586 119.914 0.136 0.000 3.114 459 V HA 0.883 5.004 4.120 0.001 0.000 0.308 459 V C -1.183 175.015 176.094 0.173 0.000 1.168 459 V CA -0.306 62.054 62.300 0.100 0.000 1.015 459 V CB 2.427 34.251 31.823 0.002 0.000 1.050 459 V HN 0.800 nan 8.190 nan 0.000 0.433 460 S N 3.996 119.790 115.700 0.158 0.000 2.775 460 S HA 0.644 5.115 4.470 0.001 0.000 0.277 460 S C -1.243 173.522 174.600 0.274 0.000 1.156 460 S CA -0.380 58.010 58.200 0.317 0.000 1.081 460 S CB 0.299 63.734 63.200 0.393 0.000 1.054 460 S HN 0.477 nan 8.310 nan 0.000 0.482 461 F N 2.952 122.951 119.950 0.081 0.000 2.371 461 F HA 0.471 4.998 4.527 0.001 0.000 0.329 461 F C 1.427 176.814 175.800 -0.688 0.000 1.107 461 F CA -0.278 57.605 58.000 -0.196 0.000 1.137 461 F CB 1.248 40.119 39.000 -0.216 0.000 1.214 461 F HN 0.594 nan 8.300 nan 0.000 0.536 462 S N 1.799 116.894 115.700 -1.007 0.000 2.634 462 S HA 0.199 4.670 4.470 0.001 0.000 0.261 462 S C 1.236 175.640 174.600 -0.325 0.000 1.271 462 S CA -0.849 56.573 58.200 -1.296 0.000 0.985 462 S CB 0.833 63.282 63.200 -1.251 0.000 0.968 462 S HN 0.520 nan 8.310 nan 0.000 0.568 463 K N 0.996 121.343 120.400 -0.089 0.000 2.049 463 K HA -0.164 4.157 4.320 0.001 0.000 0.219 463 K C 1.074 177.693 176.600 0.032 0.000 1.056 463 K CA 1.864 58.178 56.287 0.044 0.000 0.946 463 K CB -0.619 31.947 32.500 0.110 0.000 0.723 463 K HN 0.707 nan 8.250 nan 0.000 0.453 464 E N -0.886 119.325 120.200 0.018 0.000 2.496 464 E HA 0.265 4.616 4.350 0.001 0.000 0.200 464 E C 0.119 176.711 176.600 -0.013 0.000 1.016 464 E CA 0.240 56.652 56.400 0.021 0.000 0.962 464 E CB 0.432 30.156 29.700 0.040 0.000 1.071 464 E HN 0.281 nan 8.360 nan 0.000 0.457 465 A N 1.144 123.942 122.820 -0.037 0.000 2.860 465 A HA -0.330 3.991 4.320 0.001 0.000 0.267 465 A C 1.536 179.110 177.584 -0.016 0.000 1.421 465 A CA 1.652 53.688 52.037 -0.001 0.000 0.831 465 A CB -2.104 16.785 19.000 -0.185 0.000 1.041 465 A HN 0.288 nan 8.150 nan 0.000 0.623 466 K N -1.829 118.503 120.400 -0.113 0.000 2.155 466 K HA 0.066 4.387 4.320 0.001 0.000 0.203 466 K C 0.120 176.362 176.600 -0.598 0.000 1.052 466 K CA 1.505 57.604 56.287 -0.314 0.000 0.948 466 K CB -0.021 32.288 32.500 -0.318 0.000 0.728 466 K HN 0.678 nan 8.250 nan 0.000 0.448 467 Y N -1.061 119.181 120.300 -0.097 0.000 2.576 467 Y HA 0.332 4.882 4.550 0.001 0.000 0.346 467 Y C -0.984 174.805 175.900 -0.185 0.000 1.018 467 Y CA -1.335 56.685 58.100 -0.134 0.000 1.050 467 Y CB 1.708 40.108 38.460 -0.099 0.000 1.280 467 Y HN -0.035 nan 8.280 nan 0.000 0.474 468 Y N -1.085 119.150 120.300 -0.108 0.000 2.513 468 Y HA 0.524 5.075 4.550 0.001 0.000 0.340 468 Y C -1.240 174.643 175.900 -0.028 0.000 1.055 468 Y CA -1.439 56.425 58.100 -0.393 0.000 1.020 468 Y CB 1.468 39.127 38.460 -1.334 0.000 1.301 468 Y HN 0.598 nan 8.280 nan 0.000 0.453 469 Q N 3.787 123.720 119.800 0.223 0.000 2.271 469 Q HA 0.568 4.909 4.340 0.001 0.000 0.258 469 Q C -1.780 174.320 176.000 0.168 0.000 0.936 469 Q CA -0.733 55.186 55.803 0.194 0.000 0.909 469 Q CB 1.384 30.224 28.738 0.171 0.000 1.253 469 Q HN 0.968 nan 8.270 nan 0.000 0.440 470 L N 4.327 125.660 121.223 0.184 0.000 2.295 470 L HA 0.523 4.864 4.340 0.001 0.000 0.285 470 L C -0.074 176.879 176.870 0.138 0.000 1.035 470 L CA -0.518 54.417 54.840 0.158 0.000 0.806 470 L CB 1.499 43.624 42.059 0.110 0.000 1.214 470 L HN 0.584 nan 8.230 nan 0.000 0.426 471 R N 3.806 124.362 120.500 0.093 0.000 2.310 471 R HA 0.299 4.639 4.340 0.001 0.000 0.316 471 R C -0.877 175.303 176.300 -0.200 0.000 1.004 471 R CA -0.474 55.510 56.100 -0.192 0.000 0.900 471 R CB 1.130 31.375 30.300 -0.090 0.000 1.152 471 R HN 0.736 nan 8.270 nan 0.000 0.513 472 c N 3.821 122.197 118.600 -0.374 0.000 2.435 472 c HA 0.430 5.001 4.570 0.001 0.000 0.375 472 c C 1.232 175.086 174.090 -0.394 0.000 1.281 472 c CA -0.157 55.826 56.329 -0.577 0.000 1.963 472 c CB 0.548 42.670 42.510 -0.647 0.000 2.490 472 c HN 0.919 nan 8.230 nan 0.000 0.557 473 S N 3.464 119.011 115.700 -0.254 0.000 2.749 473 S HA 0.613 5.084 4.470 0.001 0.000 0.246 473 S C 0.238 174.774 174.600 -0.107 0.000 1.023 473 S CA 0.186 58.293 58.200 -0.156 0.000 1.012 473 S CB 0.036 63.173 63.200 -0.104 0.000 0.942 473 S HN 1.915 nan 8.310 nan 0.000 0.531 474 G N 1.868 110.592 108.800 -0.126 0.000 2.325 474 G HA2 0.428 4.388 3.960 0.001 0.000 0.297 474 G HA3 0.428 4.388 3.960 0.001 0.000 0.297 474 G C -3.037 171.826 174.900 -0.062 0.000 1.448 474 G CA -0.637 44.432 45.100 -0.053 0.000 0.838 474 G HN -0.132 nan 8.290 nan 0.000 0.579 475 P HA 0.120 nan 4.420 nan 0.000 0.229 475 P C 1.251 178.571 177.300 0.034 0.000 1.160 475 P CA 1.294 64.411 63.100 0.029 0.000 0.777 475 P CB 0.487 32.204 31.700 0.027 0.000 0.814 476 G N 0.387 109.144 108.800 -0.073 0.000 2.510 476 G HA2 0.423 4.384 3.960 0.001 0.000 0.280 476 G HA3 0.423 4.384 3.960 0.001 0.000 0.280 476 G C -0.297 174.380 174.900 -0.371 0.000 1.386 476 G CA -0.775 44.210 45.100 -0.192 0.000 1.047 476 G HN 0.038 nan 8.290 nan 0.000 0.527 477 L N 1.131 122.052 121.223 -0.503 0.000 2.485 477 L HA 0.148 4.489 4.340 0.001 0.000 0.275 477 L C -1.873 174.839 176.870 -0.263 0.000 1.207 477 L CA -1.209 53.313 54.840 -0.529 0.000 0.855 477 L CB 0.579 42.392 42.059 -0.409 0.000 1.114 477 L HN 0.229 nan 8.230 nan 0.000 0.485 478 P HA -0.015 nan 4.420 nan 0.000 0.263 478 P C -0.938 176.293 177.300 -0.115 0.000 1.175 478 P CA 0.126 63.140 63.100 -0.144 0.000 0.761 478 P CB 0.492 32.195 31.700 0.004 0.000 0.794 479 L N 5.744 126.817 121.223 -0.249 0.000 2.406 479 L HA 0.478 4.819 4.340 0.001 0.000 0.272 479 L C -1.728 175.008 176.870 -0.224 0.000 0.980 479 L CA -0.724 54.041 54.840 -0.125 0.000 0.831 479 L CB 0.878 42.879 42.059 -0.097 0.000 1.253 479 L HN 0.220 nan 8.230 nan 0.000 0.406 480 Y N 2.712 122.973 120.300 -0.064 0.000 2.335 480 Y HA 0.757 5.307 4.550 0.001 0.000 0.338 480 Y C 0.499 176.304 175.900 -0.157 0.000 0.977 480 Y CA -0.569 57.478 58.100 -0.088 0.000 1.114 480 Y CB 2.073 40.446 38.460 -0.145 0.000 1.182 480 Y HN 0.673 nan 8.280 nan 0.000 0.463 481 T N 0.770 115.344 114.554 0.034 0.000 2.906 481 T HA 0.701 5.052 4.350 0.001 0.000 0.295 481 T C -1.516 173.115 174.700 -0.115 0.000 1.075 481 T CA -0.881 61.166 62.100 -0.090 0.000 1.005 481 T CB 1.978 70.821 68.868 -0.041 0.000 1.136 481 T HN 0.372 nan 8.240 nan 0.000 0.498 482 L N 1.903 122.937 121.223 -0.315 0.000 2.334 482 L HA 0.620 4.960 4.340 0.001 0.000 0.276 482 L C -0.673 175.880 176.870 -0.528 0.000 1.014 482 L CA -0.304 54.398 54.840 -0.230 0.000 0.815 482 L CB 1.054 43.024 42.059 -0.148 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.312 120.156 119.070 -0.376 0.000 2.946 483 H HA 0.591 5.148 4.556 0.001 0.000 0.365 483 H C -0.973 174.102 175.328 -0.422 0.000 1.197 483 H CA -0.836 54.882 56.048 -0.550 0.000 1.131 483 H CB 2.143 31.229 29.762 -1.126 0.000 1.849 483 H HN 0.567 nan 8.280 nan 0.000 0.555 484 S N 0.162 115.775 115.700 -0.145 0.000 2.482 484 S HA 0.235 4.705 4.470 0.001 0.000 0.303 484 S C 0.568 175.121 174.600 -0.079 0.000 1.091 484 S CA -0.691 57.444 58.200 -0.108 0.000 1.057 484 S CB 1.909 65.090 63.200 -0.031 0.000 1.031 484 S HN 0.564 nan 8.310 nan 0.000 0.485 485 S N 2.243 117.920 115.700 -0.038 0.000 2.402 485 S HA -0.104 4.367 4.470 0.001 0.000 0.229 485 S C 1.925 176.564 174.600 0.064 0.000 1.021 485 S CA 0.951 59.234 58.200 0.139 0.000 0.974 485 S CB -0.515 62.761 63.200 0.127 0.000 0.800 485 S HN 0.691 nan 8.310 nan 0.000 0.484 486 V N 2.876 122.782 119.914 -0.013 0.000 2.250 486 V HA -0.197 3.924 4.120 0.001 0.000 0.250 486 V C 0.884 176.990 176.094 0.021 0.000 1.060 486 V CA 1.902 64.206 62.300 0.007 0.000 1.030 486 V CB -0.292 31.518 31.823 -0.020 0.000 0.643 486 V HN 0.518 nan 8.190 nan 0.000 0.445 487 N N -0.892 117.815 118.700 0.013 0.000 2.241 487 N HA 0.123 4.864 4.740 0.001 0.000 0.238 487 N C -0.429 175.091 175.510 0.018 0.000 1.244 487 N CA 0.389 53.447 53.050 0.014 0.000 0.880 487 N CB 0.533 39.027 38.487 0.011 0.000 1.179 487 N HN 0.465 nan 8.380 nan 0.000 0.513 488 D N 1.342 121.768 120.400 0.042 0.000 2.689 488 D HA -0.166 4.475 4.640 0.001 0.000 0.237 488 D C -0.086 176.241 176.300 0.045 0.000 1.148 488 D CA 1.149 55.194 54.000 0.074 0.000 0.656 488 D CB -0.809 40.029 40.800 0.064 0.000 1.050 488 D HN 0.373 nan 8.370 nan 0.000 0.426 489 K N -0.070 120.338 120.400 0.014 0.000 2.237 489 K HA 0.393 4.714 4.320 0.001 0.000 0.270 489 K C 1.057 177.637 176.600 -0.033 0.000 1.015 489 K CA -0.085 56.199 56.287 -0.005 0.000 0.949 489 K CB 1.006 33.495 32.500 -0.018 0.000 0.976 489 K HN 0.142 nan 8.250 nan 0.000 0.472 490 G N 3.164 111.922 108.800 -0.069 0.000 2.546 490 G HA2 0.199 4.160 3.960 0.001 0.000 0.320 490 G HA3 0.199 4.160 3.960 0.001 0.000 0.320 490 G C 0.812 175.570 174.900 -0.237 0.000 0.984 490 G CA -0.386 44.565 45.100 -0.248 0.000 1.183 490 G HN 0.540 nan 8.290 nan 0.000 0.443 491 L N 1.542 122.596 121.223 -0.282 0.000 1.961 491 L HA 0.163 4.503 4.340 0.001 0.000 0.209 491 L C 1.767 178.538 176.870 -0.165 0.000 1.075 491 L CA 1.216 55.954 54.840 -0.170 0.000 0.749 491 L CB -0.277 41.701 42.059 -0.134 0.000 0.890 491 L HN 0.671 nan 8.230 nan 0.000 0.433 492 R N -1.805 118.562 120.500 -0.221 0.000 2.733 492 R HA 0.511 4.851 4.340 0.001 0.000 0.272 492 R C -1.643 174.527 176.300 -0.217 0.000 1.029 492 R CA -0.894 55.099 56.100 -0.177 0.000 0.888 492 R CB 1.595 31.821 30.300 -0.124 0.000 1.251 492 R HN -0.232 nan 8.270 nan 0.000 0.464 493 V N 2.896 122.708 119.914 -0.171 0.000 2.432 493 V HA 0.195 4.316 4.120 0.001 0.000 0.275 493 V C 1.259 177.209 176.094 -0.239 0.000 1.043 493 V CA -0.463 61.734 62.300 -0.171 0.000 0.925 493 V CB 1.216 32.975 31.823 -0.107 0.000 0.985 493 V HN 0.659 nan 8.190 nan 0.000 0.466 494 L N 2.557 123.562 121.223 -0.364 0.000 2.168 494 L HA 0.280 4.621 4.340 0.001 0.000 0.203 494 L C 0.714 177.281 176.870 -0.506 0.000 1.078 494 L CA 0.755 55.167 54.840 -0.712 0.000 0.780 494 L CB 0.195 41.435 42.059 -1.364 0.000 0.939 494 L HN 0.688 nan 8.230 nan 0.000 0.451 495 E N -0.097 119.958 120.200 -0.241 0.000 2.397 495 E HA 0.095 4.445 4.350 0.001 0.000 0.293 495 E C -1.301 175.340 176.600 0.067 0.000 0.930 495 E CA -0.377 55.992 56.400 -0.050 0.000 0.793 495 E CB 1.106 30.783 29.700 -0.039 0.000 1.259 495 E HN 0.162 nan 8.360 nan 0.000 0.406 496 D N 3.008 123.429 120.400 0.035 0.000 2.469 496 D HA 0.155 4.795 4.640 0.001 0.000 0.215 496 D C -0.314 175.998 176.300 0.020 0.000 1.154 496 D CA -0.295 53.719 54.000 0.025 0.000 0.832 496 D CB -0.068 40.726 40.800 -0.010 0.000 1.008 496 D HN 0.446 nan 8.370 nan 0.000 0.506 497 N N 0.597 119.326 118.700 0.048 0.000 2.710 497 N HA -0.220 4.521 4.740 0.001 0.000 0.249 497 N C 0.906 176.421 175.510 0.009 0.000 1.059 497 N CA 0.958 54.030 53.050 0.036 0.000 0.720 497 N CB -1.198 37.304 38.487 0.024 0.000 0.983 497 N HN 0.514 nan 8.380 nan 0.000 0.544 498 S N -1.352 114.355 115.700 0.010 0.000 2.423 498 S HA 0.016 4.487 4.470 0.001 0.000 0.231 498 S C 2.075 176.687 174.600 0.020 0.000 1.014 498 S CA 0.778 58.981 58.200 0.004 0.000 0.965 498 S CB -0.007 63.195 63.200 0.003 0.000 0.785 498 S HN 0.505 nan 8.310 nan 0.000 0.495 499 A N 2.153 124.994 122.820 0.035 0.000 1.877 499 A HA 0.065 4.386 4.320 0.001 0.000 0.216 499 A C 2.205 179.829 177.584 0.067 0.000 1.186 499 A CA 1.561 53.628 52.037 0.050 0.000 0.620 499 A CB -0.942 18.093 19.000 0.058 0.000 0.822 499 A HN 0.495 nan 8.150 nan 0.000 0.443 500 L N 0.560 121.826 121.223 0.071 0.000 2.046 500 L HA -0.174 4.167 4.340 0.001 0.000 0.208 500 L C 1.953 178.853 176.870 0.051 0.000 1.077 500 L CA 2.829 57.726 54.840 0.095 0.000 0.747 500 L CB -0.863 41.249 42.059 0.088 0.000 0.896 500 L HN 0.551 nan 8.230 nan 0.000 0.432 501 D N -0.733 119.668 120.400 0.002 0.000 2.123 501 D HA -0.285 4.356 4.640 0.001 0.000 0.196 501 D C 2.267 178.569 176.300 0.003 0.000 0.992 501 D CA 1.670 55.654 54.000 -0.028 0.000 0.833 501 D CB -0.120 40.653 40.800 -0.044 0.000 0.954 501 D HN 0.365 nan 8.370 nan 0.000 0.455 502 K N -0.538 119.877 120.400 0.026 0.000 2.026 502 K HA -0.162 4.159 4.320 0.001 0.000 0.208 502 K C 2.192 178.829 176.600 0.061 0.000 1.048 502 K CA 1.278 57.587 56.287 0.038 0.000 0.929 502 K CB -0.115 32.410 32.500 0.042 0.000 0.713 502 K HN 0.233 nan 8.250 nan 0.000 0.439 503 M N 0.700 120.359 119.600 0.100 0.000 2.175 503 M HA -0.123 4.358 4.480 0.001 0.000 0.264 503 M C 2.030 178.394 176.300 0.107 0.000 1.063 503 M CA 1.273 56.672 55.300 0.165 0.000 1.119 503 M CB -0.111 32.671 32.600 0.304 0.000 1.377 503 M HN 0.145 nan 8.290 nan 0.000 0.415 504 L N 0.417 121.651 121.223 0.018 0.000 2.265 504 L HA -0.214 4.127 4.340 0.001 0.000 0.215 504 L C 2.579 179.425 176.870 -0.040 0.000 1.117 504 L CA 1.059 55.848 54.840 -0.086 0.000 0.782 504 L CB -0.776 41.228 42.059 -0.092 0.000 0.914 504 L HN 0.498 nan 8.230 nan 0.000 0.441 505 Q N -1.037 118.762 119.800 -0.002 0.000 2.369 505 Q HA -0.126 4.215 4.340 0.001 0.000 0.206 505 Q C 1.123 177.138 176.000 0.025 0.000 0.963 505 Q CA 0.984 56.791 55.803 0.006 0.000 0.894 505 Q CB -0.240 28.505 28.738 0.012 0.000 0.965 505 Q HN 0.402 nan 8.270 nan 0.000 0.475 506 N N 0.852 119.578 118.700 0.043 0.000 2.314 506 N HA 0.098 4.839 4.740 0.001 0.000 0.200 506 N C -0.790 174.762 175.510 0.071 0.000 1.135 506 N CA 0.156 53.245 53.050 0.065 0.000 0.835 506 N CB 1.393 39.934 38.487 0.090 0.000 0.989 506 N HN 0.155 nan 8.380 nan 0.000 0.478 507 V N 0.546 120.480 119.914 0.034 0.000 2.789 507 V HA 0.261 4.382 4.120 0.001 0.000 0.311 507 V C -0.910 175.192 176.094 0.014 0.000 1.073 507 V CA -0.793 61.529 62.300 0.035 0.000 0.921 507 V CB 2.290 34.104 31.823 -0.015 0.000 1.009 507 V HN -0.014 nan 8.190 nan 0.000 0.426 508 Q N 6.275 126.098 119.800 0.039 0.000 2.513 508 Q HA 0.316 4.657 4.340 0.001 0.000 0.227 508 Q C -0.411 175.569 176.000 -0.032 0.000 1.257 508 Q CA -0.150 55.653 55.803 0.001 0.000 0.915 508 Q CB 0.482 29.249 28.738 0.048 0.000 1.507 508 Q HN 0.598 nan 8.270 nan 0.000 0.543 509 M N 3.596 123.158 119.600 -0.065 0.000 2.250 509 M HA 0.336 4.817 4.480 0.001 0.000 0.344 509 M C -1.884 174.349 176.300 -0.112 0.000 1.150 509 M CA -2.251 53.000 55.300 -0.083 0.000 1.147 509 M CB 0.060 32.615 32.600 -0.074 0.000 1.498 509 M HN 0.300 nan 8.290 nan 0.000 0.461 510 P HA 0.262 nan 4.420 nan 0.000 0.276 510 P C -0.863 176.356 177.300 -0.136 0.000 1.261 510 P CA -0.347 62.665 63.100 -0.148 0.000 0.800 510 P CB 0.707 32.307 31.700 -0.167 0.000 1.066 511 S N -0.773 114.833 115.700 -0.156 0.000 2.689 511 S HA 0.642 5.113 4.470 0.001 0.000 0.306 511 S C -0.568 173.941 174.600 -0.151 0.000 1.104 511 S CA -0.795 57.327 58.200 -0.131 0.000 0.973 511 S CB 1.784 64.905 63.200 -0.131 0.000 1.121 511 S HN 0.507 nan 8.310 nan 0.000 0.523 512 K N 0.573 120.907 120.400 -0.109 0.000 2.426 512 K HA 0.415 4.736 4.320 0.001 0.000 0.254 512 K C -1.266 175.283 176.600 -0.084 0.000 0.936 512 K CA -0.509 55.719 56.287 -0.099 0.000 0.801 512 K CB 1.331 33.793 32.500 -0.062 0.000 1.139 512 K HN 0.706 nan 8.250 nan 0.000 0.424 513 K N 5.313 125.653 120.400 -0.099 0.000 2.235 513 K HA 0.333 4.654 4.320 0.001 0.000 0.266 513 K C -1.594 174.978 176.600 -0.048 0.000 0.980 513 K CA -0.840 55.399 56.287 -0.080 0.000 0.849 513 K CB 1.006 33.436 32.500 -0.117 0.000 1.098 513 K HN 0.507 nan 8.250 nan 0.000 0.445 514 L N 3.919 125.129 121.223 -0.022 0.000 2.325 514 L HA 0.525 4.866 4.340 0.001 0.000 0.281 514 L C -1.188 175.688 176.870 0.010 0.000 1.004 514 L CA 0.167 55.022 54.840 0.024 0.000 0.823 514 L CB 1.503 43.628 42.059 0.110 0.000 1.236 514 L HN 0.856 nan 8.230 nan 0.000 0.415 515 D N 2.767 123.036 120.400 -0.220 0.000 2.921 515 D HA 0.575 5.216 4.640 0.001 0.000 0.329 515 D C -1.627 174.391 176.300 -0.470 0.000 1.293 515 D CA 0.022 53.809 54.000 -0.354 0.000 0.964 515 D CB 1.390 41.898 40.800 -0.487 0.000 1.435 515 D HN 0.282 nan 8.370 nan 0.000 0.548 516 F N -0.335 119.312 119.950 -0.504 0.000 2.645 516 F HA 0.702 5.230 4.527 0.001 0.000 0.310 516 F C -1.038 174.807 175.800 0.076 0.000 1.102 516 F CA -1.104 56.684 58.000 -0.353 0.000 0.952 516 F CB 0.985 39.321 39.000 -1.108 0.000 1.326 516 F HN 0.329 nan 8.300 nan 0.000 0.456 517 I N 0.307 121.217 120.570 0.567 0.000 2.846 517 I HA 0.697 4.868 4.170 0.001 0.000 0.307 517 I C -1.348 175.051 176.117 0.469 0.000 1.053 517 I CA -1.245 60.318 61.300 0.438 0.000 1.050 517 I CB 2.439 40.639 38.000 0.333 0.000 1.239 517 I HN 0.664 nan 8.210 nan 0.000 0.439 518 I N 4.043 124.810 120.570 0.329 0.000 2.412 518 I HA 0.442 4.613 4.170 0.001 0.000 0.296 518 I C -0.822 175.447 176.117 0.253 0.000 0.987 518 I CA -0.700 60.765 61.300 0.275 0.000 1.180 518 I CB 1.933 40.046 38.000 0.188 0.000 1.340 518 I HN 0.398 nan 8.210 nan 0.000 0.455 519 L N 5.928 127.345 121.223 0.324 0.000 2.415 519 L HA 0.354 4.695 4.340 0.001 0.000 0.268 519 L C -0.489 176.517 176.870 0.227 0.000 0.984 519 L CA -0.620 54.380 54.840 0.266 0.000 0.853 519 L CB 1.324 43.567 42.059 0.307 0.000 1.215 519 L HN 0.645 nan 8.230 nan 0.000 0.419 520 N N 2.640 121.414 118.700 0.124 0.000 2.641 520 N HA -0.211 4.529 4.740 0.001 0.000 0.267 520 N C 0.306 175.859 175.510 0.073 0.000 1.087 520 N CA 0.980 54.080 53.050 0.084 0.000 0.731 520 N CB -0.395 38.136 38.487 0.073 0.000 0.886 520 N HN 0.750 nan 8.380 nan 0.000 0.547 521 E N -2.299 117.934 120.200 0.055 0.000 2.971 521 E HA -0.247 4.104 4.350 0.001 0.000 0.271 521 E C -0.543 176.054 176.600 -0.006 0.000 1.053 521 E CA 1.876 58.290 56.400 0.023 0.000 0.817 521 E CB -1.284 28.422 29.700 0.010 0.000 1.410 521 E HN 0.614 nan 8.360 nan 0.000 0.445 522 T N 0.240 114.801 114.554 0.013 0.000 2.848 522 T HA 0.437 4.788 4.350 0.001 0.000 0.285 522 T C -0.329 174.260 174.700 -0.186 0.000 0.995 522 T CA -1.044 60.980 62.100 -0.127 0.000 0.970 522 T CB 1.415 70.187 68.868 -0.161 0.000 0.976 522 T HN 0.183 nan 8.240 nan 0.000 0.441 523 K N 2.389 122.577 120.400 -0.353 0.000 2.156 523 K HA 0.665 4.986 4.320 0.001 0.000 0.271 523 K C -1.389 174.924 176.600 -0.478 0.000 0.995 523 K CA -0.594 55.502 56.287 -0.319 0.000 0.890 523 K CB 0.974 33.097 32.500 -0.628 0.000 1.073 523 K HN 0.365 nan 8.250 nan 0.000 0.454 524 F N 1.349 121.365 119.950 0.110 0.000 2.540 524 F HA 0.398 4.925 4.527 0.001 0.000 0.317 524 F C -0.773 175.198 175.800 0.286 0.000 1.104 524 F CA -0.745 57.366 58.000 0.185 0.000 0.913 524 F CB 1.269 40.364 39.000 0.159 0.000 1.170 524 F HN 0.530 nan 8.300 nan 0.000 0.450 525 W N 2.677 124.178 121.300 0.334 0.000 2.436 525 W HA 0.583 5.243 4.660 0.001 0.000 0.347 525 W C -0.741 176.056 176.519 0.463 0.000 1.136 525 W CA -0.729 56.830 57.345 0.357 0.000 1.286 525 W CB 0.692 30.273 29.460 0.201 0.000 1.253 525 W HN 0.434 nan 8.180 nan 0.000 0.617 526 Y N -0.768 119.931 120.300 0.664 0.000 2.655 526 Y HA 0.657 5.207 4.550 0.001 0.000 0.336 526 Y C -1.093 175.036 175.900 0.383 0.000 1.154 526 Y CA -1.934 56.517 58.100 0.585 0.000 1.055 526 Y CB 1.098 40.029 38.460 0.786 0.000 1.295 526 Y HN 0.563 nan 8.280 nan 0.000 0.465 527 Q N 1.951 122.031 119.800 0.467 0.000 2.389 527 Q HA 0.744 5.085 4.340 0.001 0.000 0.277 527 Q C -1.840 174.301 176.000 0.235 0.000 1.082 527 Q CA -1.163 54.780 55.803 0.233 0.000 0.810 527 Q CB 3.328 32.155 28.738 0.148 0.000 1.374 527 Q HN 0.868 nan 8.270 nan 0.000 0.422 528 M N 2.568 122.223 119.600 0.091 0.000 2.259 528 M HA 0.430 4.911 4.480 0.001 0.000 0.304 528 M C -1.278 174.948 176.300 -0.123 0.000 1.019 528 M CA -0.911 54.365 55.300 -0.039 0.000 0.922 528 M CB 2.061 34.598 32.600 -0.105 0.000 1.600 528 M HN 0.621 nan 8.290 nan 0.000 0.433 529 I N 5.314 125.805 120.570 -0.132 0.000 2.301 529 I HA 0.327 4.498 4.170 0.001 0.000 0.292 529 I C -0.392 175.567 176.117 -0.262 0.000 1.046 529 I CA -0.206 60.992 61.300 -0.170 0.000 1.282 529 I CB 0.345 38.265 38.000 -0.133 0.000 1.409 529 I HN 0.629 nan 8.210 nan 0.000 0.484 530 L N 8.529 129.548 121.223 -0.341 0.000 2.309 530 L HA 0.454 4.794 4.340 0.001 0.000 0.282 530 L C -2.180 174.484 176.870 -0.344 0.000 1.036 530 L CA -1.812 52.727 54.840 -0.502 0.000 0.806 530 L CB 1.279 42.864 42.059 -0.790 0.000 1.220 530 L HN 0.275 nan 8.230 nan 0.000 0.429 531 P HA 0.107 nan 4.420 nan 0.000 0.270 531 P C -2.500 174.743 177.300 -0.095 0.000 1.223 531 P CA -0.943 62.067 63.100 -0.150 0.000 0.785 531 P CB -0.152 31.508 31.700 -0.066 0.000 0.923 532 P HA -0.038 nan 4.420 nan 0.000 0.267 532 P C -0.290 176.931 177.300 -0.132 0.000 1.200 532 P CA 0.706 63.672 63.100 -0.224 0.000 0.772 532 P CB -0.194 31.356 31.700 -0.249 0.000 0.855 533 H N -1.020 118.085 119.070 0.059 0.000 2.713 533 H HA -0.212 4.345 4.556 0.001 0.000 0.311 533 H C 0.084 175.474 175.328 0.103 0.000 1.175 533 H CA -0.040 56.047 56.048 0.065 0.000 1.143 533 H CB -2.230 27.564 29.762 0.053 0.000 1.434 533 H HN 0.382 nan 8.280 nan 0.000 0.418 534 F N 2.657 122.592 119.950 -0.025 0.000 2.580 534 F HA 0.057 4.585 4.527 0.001 0.000 0.398 534 F C 0.581 176.394 175.800 0.022 0.000 1.023 534 F CA -0.091 57.853 58.000 -0.093 0.000 1.188 534 F CB 0.426 39.262 39.000 -0.273 0.000 1.005 534 F HN 0.157 nan 8.300 nan 0.000 0.546 535 D N 6.654 126.804 120.400 -0.416 0.000 2.460 535 D HA 0.124 4.764 4.640 0.001 0.000 0.232 535 D C 0.625 176.571 176.300 -0.590 0.000 1.079 535 D CA -0.505 53.270 54.000 -0.375 0.000 0.864 535 D CB 0.823 41.569 40.800 -0.090 0.000 1.048 535 D HN 0.679 nan 8.370 nan 0.000 0.523 536 K N 0.921 120.866 120.400 -0.759 0.000 2.585 536 K HA -0.084 4.237 4.320 0.001 0.000 0.194 536 K C 0.999 177.565 176.600 -0.056 0.000 1.037 536 K CA 0.596 56.629 56.287 -0.424 0.000 0.964 536 K CB -0.169 32.209 32.500 -0.203 0.000 0.787 536 K HN 0.207 nan 8.250 nan 0.000 0.488 537 S N -0.194 115.451 115.700 -0.093 0.000 2.556 537 S HA 0.150 4.620 4.470 0.001 0.000 0.216 537 S C 0.225 174.796 174.600 -0.049 0.000 0.970 537 S CA -0.575 57.601 58.200 -0.040 0.000 0.912 537 S CB 0.132 63.301 63.200 -0.052 0.000 0.790 537 S HN 0.165 nan 8.310 nan 0.000 0.504 538 K N 1.149 121.507 120.400 -0.070 0.000 2.166 538 K HA 0.469 4.790 4.320 0.001 0.000 0.245 538 K C -0.748 175.781 176.600 -0.117 0.000 0.967 538 K CA -0.915 55.267 56.287 -0.174 0.000 0.863 538 K CB 0.822 33.088 32.500 -0.390 0.000 1.107 538 K HN -0.069 nan 8.250 nan 0.000 0.436 539 K N 2.337 122.622 120.400 -0.192 0.000 2.253 539 K HA 0.262 4.582 4.320 0.001 0.000 0.277 539 K C -0.923 175.565 176.600 -0.186 0.000 1.053 539 K CA -0.248 55.989 56.287 -0.083 0.000 0.892 539 K CB 0.515 32.967 32.500 -0.080 0.000 1.102 539 K HN 0.459 nan 8.250 nan 0.000 0.469 540 Y N 3.292 123.626 120.300 0.056 0.000 2.387 540 Y HA 0.284 4.835 4.550 0.001 0.000 0.336 540 Y C -1.724 174.111 175.900 -0.109 0.000 1.067 540 Y CA -2.199 55.906 58.100 0.009 0.000 1.114 540 Y CB 1.272 39.805 38.460 0.122 0.000 1.208 540 Y HN 0.451 nan 8.280 nan 0.000 0.458 541 P HA 0.201 nan 4.420 nan 0.000 0.274 541 P C -1.174 175.942 177.300 -0.305 0.000 1.237 541 P CA -0.263 62.539 63.100 -0.496 0.000 0.793 541 P CB 1.773 32.796 31.700 -1.128 0.000 0.977 542 L N 2.336 123.419 121.223 -0.233 0.000 2.410 542 L HA 0.528 4.868 4.340 0.001 0.000 0.270 542 L C -1.371 175.665 176.870 0.276 0.000 0.983 542 L CA -1.178 53.684 54.840 0.036 0.000 0.822 542 L CB 1.885 43.980 42.059 0.060 0.000 1.285 542 L HN 0.154 nan 8.230 nan 0.000 0.409 543 L N 5.239 126.643 121.223 0.303 0.000 2.305 543 L HA 0.506 4.847 4.340 0.001 0.000 0.284 543 L C -1.239 175.852 176.870 0.368 0.000 1.013 543 L CA -0.312 54.764 54.840 0.393 0.000 0.819 543 L CB 1.551 43.793 42.059 0.305 0.000 1.227 543 L HN 0.627 nan 8.230 nan 0.000 0.417 544 L N 5.115 126.600 121.223 0.438 0.000 2.261 544 L HA 0.386 4.726 4.340 0.001 0.000 0.289 544 L C -0.565 176.547 176.870 0.402 0.000 1.059 544 L CA 0.157 55.242 54.840 0.408 0.000 0.816 544 L CB 0.600 42.926 42.059 0.446 0.000 1.191 544 L HN 0.630 nan 8.230 nan 0.000 0.431 545 D N 4.437 125.055 120.400 0.363 0.000 2.347 545 D HA 0.252 4.893 4.640 0.001 0.000 0.235 545 D C -0.920 175.470 176.300 0.150 0.000 1.149 545 D CA 0.077 54.230 54.000 0.255 0.000 0.850 545 D CB 1.141 42.150 40.800 0.348 0.000 1.061 545 D HN 0.320 nan 8.370 nan 0.000 0.487 546 V N 5.140 125.071 119.914 0.028 0.000 2.864 546 V HA 0.489 4.610 4.120 0.001 0.000 0.314 546 V C -1.010 175.167 176.094 0.138 0.000 1.073 546 V CA -0.375 61.996 62.300 0.118 0.000 0.956 546 V CB 1.868 33.763 31.823 0.121 0.000 1.023 546 V HN 0.677 nan 8.190 nan 0.000 0.435 547 Y N 4.400 124.769 120.300 0.115 0.000 3.208 547 Y HA 0.537 5.088 4.550 0.001 0.000 0.205 547 Y C 1.646 177.688 175.900 0.236 0.000 0.923 547 Y CA 1.168 59.364 58.100 0.160 0.000 1.596 547 Y CB 0.325 38.855 38.460 0.118 0.000 1.478 547 Y HN 1.012 nan 8.280 nan 0.000 0.409 548 A N 0.820 123.803 122.820 0.272 0.000 2.945 548 A HA -0.191 4.129 4.320 0.001 0.000 0.263 548 A C 0.996 178.510 177.584 -0.117 0.000 1.293 548 A CA 0.943 53.074 52.037 0.156 0.000 0.944 548 A CB -2.502 16.628 19.000 0.218 0.000 1.093 548 A HN 0.872 nan 8.150 nan 0.000 0.786 549 G N -0.361 108.208 108.800 -0.385 0.000 2.684 549 G HA2 0.448 4.409 3.960 0.001 0.000 0.255 549 G HA3 0.448 4.409 3.960 0.001 0.000 0.255 549 G C -1.788 172.811 174.900 -0.502 0.000 1.219 549 G CA -0.360 44.015 45.100 -1.209 0.000 0.901 549 G HN 0.473 nan 8.290 nan 0.000 0.548 550 P HA 0.075 nan 4.420 nan 0.000 0.271 550 P C 0.513 177.682 177.300 -0.219 0.000 1.226 550 P CA 0.167 63.016 63.100 -0.418 0.000 0.765 550 P CB 0.896 32.005 31.700 -0.985 0.000 0.835 551 C N 2.292 121.519 119.300 -0.123 0.000 4.475 551 C HA -0.142 4.319 4.460 0.001 0.000 0.280 551 C C 1.030 176.029 174.990 0.015 0.000 1.338 551 C CA 1.149 60.059 59.018 -0.179 0.000 1.893 551 C CB -2.636 24.838 27.740 -0.442 0.000 1.299 551 C HN 0.824 nan 8.230 nan 0.000 0.767 552 S N 0.090 115.852 115.700 0.103 0.000 2.632 552 S HA 0.600 5.071 4.470 0.001 0.000 0.267 552 S C -0.644 174.099 174.600 0.239 0.000 1.276 552 S CA 0.138 58.471 58.200 0.223 0.000 0.998 552 S CB 1.673 65.038 63.200 0.275 0.000 0.953 552 S HN 0.828 nan 8.310 nan 0.000 0.547 553 Q N 0.038 119.998 119.800 0.266 0.000 2.275 553 Q HA 0.368 4.709 4.340 0.001 0.000 0.258 553 Q C -0.946 175.164 176.000 0.184 0.000 0.960 553 Q CA -0.614 55.341 55.803 0.255 0.000 0.801 553 Q CB 1.050 29.989 28.738 0.335 0.000 1.302 553 Q HN 0.664 nan 8.270 nan 0.000 0.433 554 K N 1.092 121.603 120.400 0.184 0.000 2.402 554 K HA 0.375 4.695 4.320 0.001 0.000 0.204 554 K C -0.686 176.017 176.600 0.173 0.000 1.056 554 K CA 0.227 56.616 56.287 0.169 0.000 1.069 554 K CB 1.683 34.309 32.500 0.210 0.000 0.888 554 K HN 0.474 nan 8.250 nan 0.000 0.546 555 A N 2.476 125.404 122.820 0.180 0.000 2.431 555 A HA 0.471 4.792 4.320 0.001 0.000 0.318 555 A C -0.882 176.769 177.584 0.110 0.000 1.330 555 A CA -0.580 51.567 52.037 0.185 0.000 0.804 555 A CB 0.168 19.340 19.000 0.286 0.000 1.135 555 A HN 0.207 nan 8.150 nan 0.000 0.483 556 D N -0.134 120.308 120.400 0.069 0.000 2.744 556 D HA 0.476 5.117 4.640 0.001 0.000 0.304 556 D C 0.446 176.758 176.300 0.020 0.000 1.179 556 D CA 0.250 54.279 54.000 0.050 0.000 1.024 556 D CB 0.424 41.257 40.800 0.054 0.000 1.453 556 D HN 0.141 nan 8.370 nan 0.000 0.529 557 T N -2.354 112.228 114.554 0.047 0.000 3.223 557 T HA 0.330 4.681 4.350 0.001 0.000 0.259 557 T C 0.278 174.940 174.700 -0.063 0.000 1.015 557 T CA -0.433 61.683 62.100 0.026 0.000 0.908 557 T CB -0.757 68.163 68.868 0.088 0.000 1.054 557 T HN 0.251 nan 8.240 nan 0.000 0.567 558 V N 2.612 122.395 119.914 -0.218 0.000 2.555 558 V HA 0.350 4.470 4.120 0.001 0.000 0.286 558 V C 0.094 176.123 176.094 -0.109 0.000 1.044 558 V CA -1.035 61.091 62.300 -0.291 0.000 1.026 558 V CB 0.140 31.657 31.823 -0.509 0.000 0.981 558 V HN 0.577 nan 8.190 nan 0.000 0.480 559 F N 6.550 126.398 119.950 -0.171 0.000 2.427 559 F HA 0.548 5.075 4.527 0.001 0.000 0.352 559 F C 0.522 176.261 175.800 -0.103 0.000 1.100 559 F CA -0.113 57.814 58.000 -0.122 0.000 1.191 559 F CB 0.256 39.193 39.000 -0.105 0.000 1.128 559 F HN 0.431 nan 8.300 nan 0.000 0.533 560 R N 6.690 126.679 120.500 -0.852 0.000 2.673 560 R HA 0.516 4.856 4.340 0.001 0.000 0.281 560 R C -1.689 174.184 176.300 -0.713 0.000 0.991 560 R CA -1.068 54.693 56.100 -0.565 0.000 0.896 560 R CB 2.143 32.274 30.300 -0.281 0.000 1.201 560 R HN 0.661 nan 8.270 nan 0.000 0.457 561 L N 4.162 125.157 121.223 -0.379 0.000 2.324 561 L HA 0.400 4.740 4.340 0.001 0.000 0.274 561 L C -0.740 176.105 176.870 -0.042 0.000 1.012 561 L CA -0.636 54.038 54.840 -0.277 0.000 0.859 561 L CB 0.661 42.700 42.059 -0.032 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.316 118.914 118.700 -0.169 0.000 3.418 562 N HA 0.157 4.898 4.740 0.001 0.000 0.316 562 N C 0.202 175.402 175.510 -0.516 0.000 1.601 562 N CA -0.886 51.959 53.050 -0.341 0.000 0.805 562 N CB 0.179 38.586 38.487 -0.133 0.000 1.873 562 N HN 0.266 nan 8.380 nan 0.000 0.615 563 W N 0.801 121.508 121.300 -0.988 0.000 2.318 563 W HA 0.006 4.666 4.660 0.001 0.000 0.313 563 W C 2.104 178.578 176.519 -0.076 0.000 1.221 563 W CA 3.202 60.235 57.345 -0.519 0.000 1.266 563 W CB -1.114 28.191 29.460 -0.258 0.000 1.150 563 W HN 0.722 nan 8.180 nan 0.000 0.496 564 A N -0.747 122.074 122.820 0.001 0.000 2.024 564 A HA -0.219 4.101 4.320 0.001 0.000 0.220 564 A C 1.922 179.411 177.584 -0.159 0.000 1.164 564 A CA 2.494 54.460 52.037 -0.118 0.000 0.643 564 A CB -1.224 17.782 19.000 0.011 0.000 0.806 564 A HN 0.330 nan 8.150 nan 0.000 0.451 565 T N -1.415 113.057 114.554 -0.136 0.000 2.777 565 T HA -0.157 4.193 4.350 0.001 0.000 0.266 565 T C 1.803 176.524 174.700 0.035 0.000 1.040 565 T CA 1.604 63.596 62.100 -0.179 0.000 1.141 565 T CB -0.435 68.143 68.868 -0.482 0.000 0.868 565 T HN 0.716 nan 8.240 nan 0.000 0.444 566 Y N 2.063 122.450 120.300 0.146 0.000 2.163 566 Y HA 0.034 4.584 4.550 0.001 0.000 0.288 566 Y C 1.941 177.838 175.900 -0.004 0.000 1.136 566 Y CA 0.818 59.044 58.100 0.209 0.000 1.147 566 Y CB -0.762 37.821 38.460 0.206 0.000 0.987 566 Y HN 0.085 nan 8.280 nan 0.000 0.509 567 L N 0.386 121.180 121.223 -0.716 0.000 2.043 567 L HA -0.263 4.078 4.340 0.001 0.000 0.212 567 L C 2.827 179.438 176.870 -0.431 0.000 1.075 567 L CA 1.524 55.890 54.840 -0.790 0.000 0.752 567 L CB -1.002 40.645 42.059 -0.687 0.000 0.891 567 L HN 0.450 nan 8.230 nan 0.000 0.432 568 A N -1.429 121.222 122.820 -0.282 0.000 1.874 568 A HA -0.169 4.151 4.320 0.001 0.000 0.214 568 A C 2.507 180.013 177.584 -0.129 0.000 1.189 568 A CA 1.691 53.617 52.037 -0.186 0.000 0.615 568 A CB -0.581 18.310 19.000 -0.182 0.000 0.830 568 A HN 0.331 nan 8.150 nan 0.000 0.443 569 S N -1.121 114.522 115.700 -0.094 0.000 2.355 569 S HA -0.112 4.359 4.470 0.001 0.000 0.222 569 S C 1.981 176.589 174.600 0.013 0.000 1.031 569 S CA 2.254 60.448 58.200 -0.011 0.000 0.993 569 S CB -0.345 62.908 63.200 0.088 0.000 0.859 569 S HN 0.591 nan 8.310 nan 0.000 0.453 570 T N 1.065 115.600 114.554 -0.033 0.000 3.021 570 T HA 0.183 4.534 4.350 0.001 0.000 0.245 570 T C 1.326 175.986 174.700 -0.066 0.000 1.028 570 T CA 0.468 62.565 62.100 -0.004 0.000 1.139 570 T CB -0.084 68.845 68.868 0.102 0.000 0.884 570 T HN 0.269 nan 8.240 nan 0.000 0.457 571 E N 1.371 121.439 120.200 -0.219 0.000 2.479 571 E HA 0.162 4.513 4.350 0.001 0.000 0.193 571 E C 0.022 176.599 176.600 -0.039 0.000 1.049 571 E CA -0.102 56.215 56.400 -0.138 0.000 0.870 571 E CB -0.440 29.113 29.700 -0.246 0.000 0.944 571 E HN 0.540 nan 8.360 nan 0.000 0.492 572 N N 0.584 119.274 118.700 -0.017 0.000 2.721 572 N HA -0.200 4.541 4.740 0.001 0.000 0.249 572 N C -0.789 174.789 175.510 0.114 0.000 1.072 572 N CA 0.260 53.366 53.050 0.094 0.000 0.710 572 N CB -1.160 37.430 38.487 0.171 0.000 0.993 572 N HN 0.215 nan 8.380 nan 0.000 0.547 573 I N 0.989 121.555 120.570 -0.007 0.000 2.377 573 I HA 0.338 4.509 4.170 0.001 0.000 0.293 573 I C 0.577 176.655 176.117 -0.066 0.000 0.987 573 I CA -0.809 60.485 61.300 -0.010 0.000 1.185 573 I CB 1.267 39.278 38.000 0.018 0.000 1.341 573 I HN 0.030 nan 8.210 nan 0.000 0.455 574 I N 6.524 127.059 120.570 -0.058 0.000 2.441 574 I HA 0.165 4.336 4.170 0.001 0.000 0.287 574 I C -0.344 175.742 176.117 -0.051 0.000 1.049 574 I CA -0.379 60.848 61.300 -0.123 0.000 1.381 574 I CB 1.132 39.056 38.000 -0.127 0.000 1.409 574 I HN 0.205 nan 8.210 nan 0.000 0.523 575 V N 6.594 126.469 119.914 -0.064 0.000 2.334 575 V HA 0.604 4.725 4.120 0.001 0.000 0.281 575 V C 0.282 176.395 176.094 0.032 0.000 1.016 575 V CA -0.447 61.867 62.300 0.024 0.000 0.832 575 V CB 1.198 33.033 31.823 0.021 0.000 0.999 575 V HN 0.848 nan 8.190 nan 0.000 0.439 576 A N 4.012 126.879 122.820 0.079 0.000 2.330 576 A HA 0.960 5.281 4.320 0.001 0.000 0.329 576 A C -0.161 177.565 177.584 0.237 0.000 1.135 576 A CA -0.507 51.572 52.037 0.070 0.000 0.817 576 A CB 1.696 20.587 19.000 -0.181 0.000 1.269 576 A HN 0.691 nan 8.150 nan 0.000 0.469 577 S N -0.352 115.537 115.700 0.315 0.000 2.546 577 S HA 0.752 5.222 4.470 0.001 0.000 0.274 577 S C -1.513 173.438 174.600 0.585 0.000 1.121 577 S CA -0.308 58.127 58.200 0.390 0.000 0.887 577 S CB 1.366 64.742 63.200 0.292 0.000 1.094 577 S HN 0.829 nan 8.310 nan 0.000 0.474 578 F N 1.716 121.895 119.950 0.382 0.000 2.581 578 F HA 0.492 5.019 4.527 0.001 0.000 0.311 578 F C -1.667 174.338 175.800 0.343 0.000 1.113 578 F CA -0.777 57.480 58.000 0.429 0.000 0.935 578 F CB 1.556 40.798 39.000 0.403 0.000 1.232 578 F HN 0.398 nan 8.300 nan 0.000 0.445 579 D N 4.480 124.692 120.400 -0.312 0.000 2.473 579 D HA 0.378 5.019 4.640 0.001 0.000 0.226 579 D C 0.369 176.325 176.300 -0.574 0.000 1.089 579 D CA 0.112 53.968 54.000 -0.240 0.000 0.883 579 D CB 1.444 42.278 40.800 0.056 0.000 1.029 579 D HN 0.773 nan 8.370 nan 0.000 0.517 580 G N 1.243 109.758 108.800 -0.476 0.000 2.695 580 G HA2 0.280 4.241 3.960 0.001 0.000 0.213 580 G HA3 0.280 4.241 3.960 0.001 0.000 0.213 580 G C 0.143 174.999 174.900 -0.073 0.000 1.406 580 G CA -0.717 44.121 45.100 -0.436 0.000 1.049 580 G HN 0.283 nan 8.290 nan 0.000 0.573 581 R N -0.633 119.809 120.500 -0.098 0.000 2.570 581 R HA 0.371 4.712 4.340 0.001 0.000 0.277 581 R C 1.215 177.593 176.300 0.129 0.000 1.039 581 R CA 1.480 57.640 56.100 0.100 0.000 1.065 581 R CB 0.489 30.819 30.300 0.050 0.000 0.964 581 R HN 1.032 nan 8.270 nan 0.000 0.428 582 G N 1.196 110.074 108.800 0.131 0.000 2.254 582 G HA2 -0.327 3.633 3.960 0.001 0.000 0.225 582 G HA3 -0.327 3.633 3.960 0.001 0.000 0.225 582 G C 0.175 175.103 174.900 0.047 0.000 1.003 582 G CA 0.111 45.271 45.100 0.101 0.000 0.622 582 G HN 0.734 nan 8.290 nan 0.000 0.507 583 S N 0.495 116.232 115.700 0.062 0.000 2.589 583 S HA 0.631 5.102 4.470 0.001 0.000 0.265 583 S C 0.904 175.491 174.600 -0.022 0.000 1.342 583 S CA 0.651 58.880 58.200 0.049 0.000 1.005 583 S CB 1.643 64.899 63.200 0.094 0.000 0.909 583 S HN 1.710 nan 8.310 nan 0.000 0.555 584 G N -0.818 107.932 108.800 -0.084 0.000 2.613 584 G HA2 0.502 4.462 3.960 0.001 0.000 0.303 584 G HA3 0.502 4.462 3.960 0.001 0.000 0.303 584 G C -0.932 173.797 174.900 -0.286 0.000 1.312 584 G CA -0.983 43.895 45.100 -0.369 0.000 1.036 584 G HN 0.964 nan 8.290 nan 0.000 0.513 585 Y N -2.370 117.919 120.300 -0.019 0.000 4.668 585 Y HA -0.219 4.331 4.550 0.001 0.000 0.234 585 Y C 1.453 177.348 175.900 -0.007 0.000 1.056 585 Y CA 1.137 59.232 58.100 -0.009 0.000 2.025 585 Y CB -2.103 36.370 38.460 0.021 0.000 1.613 585 Y HN 0.526 nan 8.280 nan 0.000 0.653 586 Q N 0.001 119.793 119.800 -0.015 0.000 2.112 586 Q HA 0.511 4.852 4.340 0.001 0.000 0.222 586 Q C 0.917 176.759 176.000 -0.263 0.000 0.798 586 Q CA 0.236 56.038 55.803 -0.002 0.000 1.060 586 Q CB 1.648 30.394 28.738 0.014 0.000 1.184 586 Q HN 0.569 nan 8.270 nan 0.000 0.475 587 G N 0.753 109.269 108.800 -0.473 0.000 2.675 587 G HA2 -0.175 3.786 3.960 0.001 0.000 0.686 587 G HA3 -0.175 3.786 3.960 0.001 0.000 0.686 587 G C -0.477 174.038 174.900 -0.642 0.000 1.215 587 G CA -0.585 43.980 45.100 -0.891 0.000 0.777 587 G HN 0.109 nan 8.290 nan 0.000 0.638 588 D N 0.321 120.304 120.400 -0.694 0.000 2.263 588 D HA -0.078 4.563 4.640 0.001 0.000 0.208 588 D C 2.262 178.285 176.300 -0.463 0.000 0.971 588 D CA 1.474 55.014 54.000 -0.768 0.000 0.867 588 D CB 0.067 40.332 40.800 -0.892 0.000 0.929 588 D HN 0.574 nan 8.370 nan 0.000 0.492 589 K N 1.085 121.261 120.400 -0.372 0.000 2.103 589 K HA -0.091 4.230 4.320 0.001 0.000 0.207 589 K C 1.802 178.321 176.600 -0.136 0.000 1.048 589 K CA 1.075 57.238 56.287 -0.207 0.000 0.930 589 K CB -0.349 32.039 32.500 -0.186 0.000 0.716 589 K HN 0.177 nan 8.250 nan 0.000 0.444 590 I N -0.422 120.051 120.570 -0.160 0.000 2.385 590 I HA -0.059 4.111 4.170 0.001 0.000 0.244 590 I C 2.538 178.643 176.117 -0.019 0.000 1.089 590 I CA 0.803 62.081 61.300 -0.035 0.000 1.410 590 I CB -0.170 37.822 38.000 -0.014 0.000 1.117 590 I HN 0.223 nan 8.210 nan 0.000 0.429 591 M N 0.312 119.833 119.600 -0.131 0.000 2.108 591 M HA -0.259 4.221 4.480 0.001 0.000 0.261 591 M C 1.875 178.229 176.300 0.089 0.000 1.066 591 M CA 2.054 57.307 55.300 -0.078 0.000 1.107 591 M CB -0.338 32.112 32.600 -0.249 0.000 1.356 591 M HN 0.272 nan 8.290 nan 0.000 0.406 592 H N -0.829 118.151 119.070 -0.150 0.000 2.547 592 H HA 0.170 4.726 4.556 0.001 0.000 0.266 592 H C 1.843 177.193 175.328 0.037 0.000 0.988 592 H CA 0.099 56.069 56.048 -0.129 0.000 1.147 592 H CB 0.174 29.761 29.762 -0.292 0.000 1.365 592 H HN 0.537 nan 8.280 nan 0.000 0.589 593 A N 1.532 124.454 122.820 0.171 0.000 2.024 593 A HA -0.137 4.183 4.320 0.001 0.000 0.220 593 A C 2.063 179.864 177.584 0.362 0.000 1.164 593 A CA 1.119 53.264 52.037 0.180 0.000 0.643 593 A CB -0.642 18.404 19.000 0.078 0.000 0.806 593 A HN 0.589 nan 8.150 nan 0.000 0.451 594 I N -3.246 117.515 120.570 0.318 0.000 3.904 594 I HA 0.159 4.329 4.170 0.001 0.000 0.333 594 I C 0.360 176.587 176.117 0.185 0.000 1.361 594 I CA -0.469 60.988 61.300 0.262 0.000 1.116 594 I CB -0.534 37.580 38.000 0.190 0.000 1.028 594 I HN 0.199 nan 8.210 nan 0.000 0.398 595 N N 3.078 121.920 118.700 0.238 0.000 2.412 595 N HA -0.064 4.677 4.740 0.001 0.000 0.258 595 N C 0.204 175.754 175.510 0.068 0.000 1.236 595 N CA 0.339 53.518 53.050 0.216 0.000 0.882 595 N CB 0.366 38.941 38.487 0.146 0.000 1.066 595 N HN 0.412 nan 8.380 nan 0.000 0.465 596 R N 0.708 121.228 120.500 0.033 0.000 4.000 596 R HA -0.195 4.146 4.340 0.001 0.000 0.362 596 R C -0.305 175.892 176.300 -0.172 0.000 1.183 596 R CA 0.879 56.957 56.100 -0.036 0.000 1.011 596 R CB -0.867 29.423 30.300 -0.017 0.000 1.501 596 R HN 0.575 nan 8.270 nan 0.000 0.553 597 R N 0.571 120.965 120.500 -0.175 0.000 2.711 597 R HA 0.349 4.690 4.340 0.001 0.000 0.350 597 R C -0.403 175.883 176.300 -0.023 0.000 1.146 597 R CA -0.191 55.675 56.100 -0.390 0.000 1.190 597 R CB 0.552 30.630 30.300 -0.369 0.000 1.312 597 R HN 0.073 nan 8.270 nan 0.000 0.635 598 L N -0.343 120.956 121.223 0.127 0.000 2.483 598 L HA 0.223 4.564 4.340 0.001 0.000 0.275 598 L C 1.276 178.397 176.870 0.418 0.000 1.220 598 L CA 0.869 55.816 54.840 0.179 0.000 0.833 598 L CB 0.480 42.446 42.059 -0.154 0.000 1.102 598 L HN 0.683 nan 8.230 nan 0.000 0.490 599 G N 0.814 109.885 108.800 0.452 0.000 2.147 599 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 599 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 599 G C 0.426 175.409 174.900 0.137 0.000 1.005 599 G CA 0.584 45.882 45.100 0.329 0.000 0.713 599 G HN 0.882 nan 8.290 nan 0.000 0.515 600 T N -3.887 110.710 114.554 0.071 0.000 3.216 600 T HA 0.458 4.809 4.350 0.001 0.000 0.167 600 T C 1.644 176.309 174.700 -0.059 0.000 0.905 600 T CA 0.930 62.966 62.100 -0.107 0.000 1.042 600 T CB -0.006 68.618 68.868 -0.408 0.000 1.787 600 T HN 0.168 nan 8.240 nan 0.000 0.355 601 F N 3.484 123.478 119.950 0.073 0.000 2.126 601 F HA 0.071 4.599 4.527 0.001 0.000 0.299 601 F C 2.831 178.665 175.800 0.057 0.000 1.096 601 F CA 1.351 59.382 58.000 0.051 0.000 1.255 601 F CB -0.665 38.361 39.000 0.043 0.000 0.997 601 F HN 0.521 nan 8.300 nan 0.000 0.479 602 E N 0.796 121.154 120.200 0.264 0.000 2.204 602 E HA -0.129 4.222 4.350 0.001 0.000 0.195 602 E C 2.078 178.785 176.600 0.179 0.000 0.990 602 E CA 1.518 58.044 56.400 0.210 0.000 0.821 602 E CB -0.955 28.878 29.700 0.221 0.000 0.750 602 E HN 0.310 nan 8.360 nan 0.000 0.477 603 V N 1.592 121.587 119.914 0.135 0.000 2.346 603 V HA -0.182 3.939 4.120 0.001 0.000 0.244 603 V C 2.353 178.489 176.094 0.070 0.000 1.037 603 V CA 1.975 64.311 62.300 0.060 0.000 1.029 603 V CB -0.569 31.242 31.823 -0.021 0.000 0.663 603 V HN 0.191 nan 8.190 nan 0.000 0.454 604 E N 0.230 120.483 120.200 0.088 0.000 2.085 604 E HA -0.257 4.094 4.350 0.001 0.000 0.194 604 E C 1.932 178.582 176.600 0.082 0.000 0.994 604 E CA 1.614 58.066 56.400 0.088 0.000 0.801 604 E CB -0.199 29.580 29.700 0.132 0.000 0.743 604 E HN 0.561 nan 8.360 nan 0.000 0.453 605 D N 0.227 120.696 120.400 0.115 0.000 2.178 605 D HA -0.133 4.507 4.640 0.001 0.000 0.201 605 D C 1.988 178.361 176.300 0.121 0.000 0.980 605 D CA 0.767 54.833 54.000 0.110 0.000 0.842 605 D CB -0.086 40.796 40.800 0.137 0.000 0.948 605 D HN 0.121 nan 8.370 nan 0.000 0.472 606 Q N 0.098 120.000 119.800 0.169 0.000 2.079 606 Q HA -0.029 4.312 4.340 0.001 0.000 0.200 606 Q C 2.572 178.630 176.000 0.097 0.000 0.974 606 Q CA 0.518 56.424 55.803 0.172 0.000 0.840 606 Q CB -0.104 28.740 28.738 0.177 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.430 607 I N 0.870 121.508 120.570 0.114 0.000 2.226 607 I HA -0.233 3.937 4.170 0.001 0.000 0.245 607 I C 2.394 178.482 176.117 -0.050 0.000 1.100 607 I CA 0.937 62.333 61.300 0.159 0.000 1.374 607 I CB -0.219 37.864 38.000 0.138 0.000 1.057 607 I HN 0.110 nan 8.210 nan 0.000 0.413 608 E N 1.134 121.261 120.200 -0.122 0.000 2.077 608 E HA -0.209 4.142 4.350 0.001 0.000 0.193 608 E C 2.284 178.604 176.600 -0.467 0.000 0.989 608 E CA 1.593 57.853 56.400 -0.233 0.000 0.800 608 E CB -0.197 29.388 29.700 -0.191 0.000 0.746 608 E HN 0.475 nan 8.360 nan 0.000 0.452 609 A N 1.059 123.461 122.820 -0.698 0.000 1.877 609 A HA -0.113 4.208 4.320 0.001 0.000 0.216 609 A C 2.428 179.231 177.584 -1.302 0.000 1.186 609 A CA 2.329 53.589 52.037 -1.294 0.000 0.620 609 A CB -0.725 17.294 19.000 -1.635 0.000 0.822 609 A HN 0.295 nan 8.150 nan 0.000 0.443 610 A N -0.506 121.969 122.820 -0.574 0.000 1.902 610 A HA -0.179 4.142 4.320 0.001 0.000 0.217 610 A C 2.249 179.619 177.584 -0.357 0.000 1.181 610 A CA 1.763 53.635 52.037 -0.274 0.000 0.623 610 A CB -0.518 18.444 19.000 -0.062 0.000 0.818 610 A HN 0.549 nan 8.150 nan 0.000 0.443 611 R N -0.516 119.768 120.500 -0.361 0.000 2.091 611 R HA -0.182 4.159 4.340 0.001 0.000 0.238 611 R C 2.410 178.533 176.300 -0.296 0.000 1.136 611 R CA 1.880 57.806 56.100 -0.289 0.000 0.959 611 R CB -0.262 29.900 30.300 -0.230 0.000 0.856 611 R HN 0.692 nan 8.270 nan 0.000 0.437 612 Q N -0.733 118.813 119.800 -0.425 0.000 2.079 612 Q HA -0.147 4.193 4.340 0.001 0.000 0.200 612 Q C 2.003 177.847 176.000 -0.260 0.000 0.974 612 Q CA 1.310 56.893 55.803 -0.367 0.000 0.840 612 Q CB -0.104 28.359 28.738 -0.459 0.000 0.898 612 Q HN 0.328 nan 8.270 nan 0.000 0.430 613 F N 1.168 120.950 119.950 -0.280 0.000 2.171 613 F HA -0.146 4.382 4.527 0.001 0.000 0.300 613 F C 2.709 178.347 175.800 -0.271 0.000 1.090 613 F CA 1.254 59.079 58.000 -0.292 0.000 1.293 613 F CB -1.224 37.626 39.000 -0.249 0.000 1.013 613 F HN 0.068 nan 8.300 nan 0.000 0.486 614 S N -0.318 115.344 115.700 -0.062 0.000 2.547 614 S HA -0.110 4.361 4.470 0.001 0.000 0.235 614 S C 1.623 176.142 174.600 -0.134 0.000 0.980 614 S CA 0.700 58.832 58.200 -0.112 0.000 0.941 614 S CB -0.497 62.612 63.200 -0.151 0.000 0.763 614 S HN 0.438 nan 8.310 nan 0.000 0.532 615 K N -0.120 120.194 120.400 -0.143 0.000 2.352 615 K HA 0.298 4.619 4.320 0.001 0.000 0.194 615 K C 0.301 176.805 176.600 -0.159 0.000 1.038 615 K CA 0.004 56.212 56.287 -0.133 0.000 1.023 615 K CB 0.013 32.443 32.500 -0.117 0.000 0.840 615 K HN 0.456 nan 8.250 nan 0.000 0.519 616 M N 0.168 119.626 119.600 -0.237 0.000 2.248 616 M HA 0.007 4.488 4.480 0.001 0.000 0.337 616 M C 1.567 177.643 176.300 -0.373 0.000 1.121 616 M CA 0.092 55.165 55.300 -0.378 0.000 1.155 616 M CB 0.828 32.987 32.600 -0.734 0.000 1.514 616 M HN 0.168 nan 8.290 nan 0.000 0.452 617 G N 2.044 110.699 108.800 -0.243 0.000 2.462 617 G HA2 -0.201 3.760 3.960 0.001 0.000 0.220 617 G HA3 -0.201 3.760 3.960 0.001 0.000 0.220 617 G C 0.810 175.706 174.900 -0.007 0.000 1.121 617 G CA 0.728 45.780 45.100 -0.081 0.000 0.758 617 G HN 0.814 nan 8.290 nan 0.000 0.559 618 F N -0.212 119.812 119.950 0.123 0.000 2.732 618 F HA 0.599 5.127 4.527 0.001 0.000 0.303 618 F C -0.072 175.872 175.800 0.241 0.000 1.110 618 F CA -1.280 56.852 58.000 0.220 0.000 1.355 618 F CB -0.199 39.037 39.000 0.394 0.000 1.081 618 F HN -0.176 nan 8.300 nan 0.000 0.565 619 V N 1.715 121.617 119.914 -0.019 0.000 2.417 619 V HA 0.175 4.296 4.120 0.001 0.000 0.291 619 V C -0.649 175.429 176.094 -0.027 0.000 1.024 619 V CA -0.853 61.453 62.300 0.009 0.000 0.861 619 V CB 1.443 33.204 31.823 -0.103 0.000 0.985 619 V HN 0.068 nan 8.190 nan 0.000 0.436 620 D N 3.792 124.176 120.400 -0.026 0.000 2.374 620 D HA 0.036 4.677 4.640 0.001 0.000 0.240 620 D C 1.382 177.635 176.300 -0.078 0.000 1.229 620 D CA -0.064 53.896 54.000 -0.067 0.000 0.895 620 D CB 0.350 41.090 40.800 -0.100 0.000 1.046 620 D HN 0.755 nan 8.370 nan 0.000 0.498 621 N N 2.594 121.248 118.700 -0.075 0.000 2.635 621 N HA -0.143 4.597 4.740 0.001 0.000 0.191 621 N C 0.710 176.179 175.510 -0.069 0.000 1.155 621 N CA 0.337 53.337 53.050 -0.084 0.000 0.927 621 N CB 0.180 38.612 38.487 -0.092 0.000 0.976 621 N HN 0.239 nan 8.380 nan 0.000 0.448 622 K N -0.053 120.315 120.400 -0.053 0.000 2.367 622 K HA 0.144 4.465 4.320 0.001 0.000 0.194 622 K C 0.087 176.693 176.600 0.009 0.000 1.027 622 K CA 0.162 56.435 56.287 -0.024 0.000 1.075 622 K CB 0.482 32.970 32.500 -0.021 0.000 0.845 622 K HN 0.149 nan 8.250 nan 0.000 0.529 623 R N 1.218 121.702 120.500 -0.028 0.000 2.629 623 R HA 0.371 4.712 4.340 0.001 0.000 0.277 623 R C -1.090 175.210 176.300 -0.000 0.000 1.637 623 R CA -0.081 56.012 56.100 -0.012 0.000 1.663 623 R CB 0.674 30.804 30.300 -0.284 0.000 1.228 623 R HN -0.030 nan 8.270 nan 0.000 0.632 624 I N 1.207 121.888 120.570 0.185 0.000 2.418 624 I HA 0.581 4.752 4.170 0.001 0.000 0.287 624 I C -0.114 176.291 176.117 0.480 0.000 1.008 624 I CA -0.725 60.719 61.300 0.240 0.000 1.104 624 I CB 1.963 39.964 38.000 0.003 0.000 1.264 624 I HN 0.389 nan 8.210 nan 0.000 0.438 625 A N 7.015 130.209 122.820 0.623 0.000 2.344 625 A HA 0.943 5.264 4.320 0.001 0.000 0.307 625 A C -1.047 176.872 177.584 0.559 0.000 1.151 625 A CA -0.668 51.703 52.037 0.558 0.000 0.842 625 A CB 1.971 21.188 19.000 0.362 0.000 1.350 625 A HN 0.719 nan 8.150 nan 0.000 0.459 626 I N -0.061 120.744 120.570 0.391 0.000 2.775 626 I HA 0.652 4.822 4.170 0.001 0.000 0.295 626 I C -2.083 174.275 176.117 0.401 0.000 1.287 626 I CA -0.559 60.908 61.300 0.278 0.000 1.029 626 I CB 1.727 39.598 38.000 -0.214 0.000 1.282 626 I HN 0.954 nan 8.210 nan 0.000 0.426 627 W N 6.903 128.320 121.300 0.194 0.000 3.213 627 W HA 0.848 5.509 4.660 0.001 0.000 0.318 627 W C -1.550 175.116 176.519 0.246 0.000 1.248 627 W CA -1.007 56.476 57.345 0.229 0.000 1.187 627 W CB 1.108 30.767 29.460 0.332 0.000 1.403 627 W HN 0.832 nan 8.180 nan 0.000 0.556 628 G N 1.092 109.872 108.800 -0.033 0.000 2.673 628 G HA2 0.511 4.472 3.960 0.001 0.000 0.292 628 G HA3 0.511 4.472 3.960 0.001 0.000 0.292 628 G C -2.838 172.043 174.900 -0.031 0.000 1.450 628 G CA -0.669 44.275 45.100 -0.260 0.000 0.837 628 G HN 0.617 nan 8.290 nan 0.000 0.505 629 W N 1.145 122.322 121.300 -0.204 0.000 2.785 629 W HA 0.625 5.286 4.660 0.001 0.000 0.333 629 W C 0.647 177.177 176.519 0.018 0.000 1.062 629 W CA 0.279 57.583 57.345 -0.069 0.000 1.233 629 W CB 1.887 31.313 29.460 -0.057 0.000 1.413 629 W HN 1.239 nan 8.180 nan 0.000 0.489 630 S N 2.456 118.400 115.700 0.407 0.000 4.118 630 S HA -0.418 4.052 4.470 0.001 0.000 0.624 630 S C 1.042 175.690 174.600 0.078 0.000 1.929 630 S CA 1.614 60.053 58.200 0.399 0.000 4.219 630 S CB -1.804 61.799 63.200 0.672 0.000 0.206 630 S HN 0.752 nan 8.310 nan 0.000 0.525 631 Y N 2.345 122.519 120.300 -0.208 0.000 2.165 631 Y HA -0.002 4.549 4.550 0.001 0.000 0.286 631 Y C 2.402 178.123 175.900 -0.298 0.000 1.155 631 Y CA 2.759 60.662 58.100 -0.328 0.000 1.164 631 Y CB -1.101 37.008 38.460 -0.586 0.000 0.978 631 Y HN 0.557 nan 8.280 nan 0.000 0.513 632 G N -0.934 107.679 108.800 -0.312 0.000 2.442 632 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 632 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 632 G C 1.900 176.787 174.900 -0.021 0.000 1.141 632 G CA 0.829 45.871 45.100 -0.096 0.000 0.763 632 G HN 0.591 nan 8.290 nan 0.000 0.554 633 G N -0.457 108.345 108.800 0.002 0.000 2.422 633 G HA2 -0.176 3.785 3.960 0.001 0.000 0.218 633 G HA3 -0.176 3.785 3.960 0.001 0.000 0.218 633 G C 1.564 176.473 174.900 0.014 0.000 1.140 633 G CA 1.035 46.142 45.100 0.013 0.000 0.775 633 G HN 0.452 nan 8.290 nan 0.000 0.545 634 Y N 1.399 121.581 120.300 -0.197 0.000 2.133 634 Y HA -0.077 4.473 4.550 0.001 0.000 0.287 634 Y C 2.708 178.506 175.900 -0.171 0.000 1.134 634 Y CA 1.477 59.416 58.100 -0.267 0.000 1.133 634 Y CB -0.441 37.709 38.460 -0.518 0.000 0.987 634 Y HN 0.016 nan 8.280 nan 0.000 0.502 635 V N -0.116 119.656 119.914 -0.237 0.000 2.343 635 V HA -0.332 3.788 4.120 0.001 0.000 0.247 635 V C 2.315 178.291 176.094 -0.196 0.000 1.051 635 V CA 2.448 64.609 62.300 -0.233 0.000 1.036 635 V CB -1.290 30.546 31.823 0.022 0.000 0.654 635 V HN 0.492 nan 8.190 nan 0.000 0.451 636 T N -0.099 114.392 114.554 -0.105 0.000 2.684 636 T HA -0.197 4.153 4.350 0.001 0.000 0.267 636 T C 2.141 176.790 174.700 -0.085 0.000 1.036 636 T CA 2.005 64.058 62.100 -0.079 0.000 1.148 636 T CB -0.277 68.618 68.868 0.046 0.000 0.863 636 T HN 0.524 nan 8.240 nan 0.000 0.436 637 S N 0.982 116.663 115.700 -0.032 0.000 2.368 637 S HA 0.010 4.480 4.470 0.001 0.000 0.224 637 S C 2.116 176.648 174.600 -0.113 0.000 1.029 637 S CA 0.865 59.078 58.200 0.022 0.000 0.988 637 S CB -0.252 62.995 63.200 0.078 0.000 0.838 637 S HN 0.318 nan 8.310 nan 0.000 0.462 638 M N 0.907 120.343 119.600 -0.273 0.000 2.229 638 M HA -0.008 4.473 4.480 0.001 0.000 0.264 638 M C 2.155 178.302 176.300 -0.255 0.000 1.063 638 M CA 0.989 56.106 55.300 -0.304 0.000 1.114 638 M CB -1.313 31.001 32.600 -0.478 0.000 1.387 638 M HN 0.176 nan 8.290 nan 0.000 0.420 639 V N 0.557 120.313 119.914 -0.264 0.000 2.307 639 V HA -0.225 3.896 4.120 0.001 0.000 0.245 639 V C 2.479 178.386 176.094 -0.313 0.000 1.045 639 V CA 1.311 63.455 62.300 -0.260 0.000 1.024 639 V CB -0.584 31.016 31.823 -0.372 0.000 0.651 639 V HN 0.396 nan 8.190 nan 0.000 0.449 640 L N 0.416 121.381 121.223 -0.430 0.000 2.191 640 L HA -0.052 4.289 4.340 0.001 0.000 0.212 640 L C 2.158 178.428 176.870 -1.001 0.000 1.103 640 L CA 1.480 55.940 54.840 -0.633 0.000 0.769 640 L CB -0.705 40.935 42.059 -0.699 0.000 0.908 640 L HN 0.492 nan 8.230 nan 0.000 0.438 641 G N -1.362 106.893 108.800 -0.909 0.000 3.371 641 G HA2 -0.014 3.947 3.960 0.001 0.000 0.248 641 G HA3 -0.014 3.947 3.960 0.001 0.000 0.248 641 G C 1.429 176.166 174.900 -0.271 0.000 1.161 641 G CA 0.547 45.254 45.100 -0.655 0.000 0.796 641 G HN 0.418 nan 8.290 nan 0.000 0.539 642 S N -0.774 114.787 115.700 -0.231 0.000 2.470 642 S HA 0.301 4.772 4.470 0.001 0.000 0.225 642 S C 1.931 176.484 174.600 -0.078 0.000 1.006 642 S CA 1.034 59.165 58.200 -0.115 0.000 0.934 642 S CB -0.071 63.083 63.200 -0.076 0.000 0.778 642 S HN 1.359 nan 8.310 nan 0.000 0.517 643 G N 1.367 110.110 108.800 -0.094 0.000 2.143 643 G HA2 -0.328 3.632 3.960 0.001 0.000 0.248 643 G HA3 -0.328 3.632 3.960 0.001 0.000 0.248 643 G C 0.934 175.817 174.900 -0.028 0.000 0.991 643 G CA 0.909 45.975 45.100 -0.056 0.000 0.689 643 G HN 1.272 nan 8.290 nan 0.000 0.522 644 S N -0.661 115.033 115.700 -0.010 0.000 2.428 644 S HA 0.311 4.782 4.470 0.001 0.000 0.230 644 S C 2.561 177.153 174.600 -0.014 0.000 1.014 644 S CA 1.670 59.872 58.200 0.003 0.000 0.957 644 S CB -0.211 63.018 63.200 0.048 0.000 0.784 644 S HN 2.404 nan 8.310 nan 0.000 0.499 645 G N 0.122 108.921 108.800 -0.002 0.000 2.184 645 G HA2 -0.306 3.655 3.960 0.001 0.000 0.264 645 G HA3 -0.306 3.655 3.960 0.001 0.000 0.264 645 G C 0.805 175.669 174.900 -0.059 0.000 0.975 645 G CA 0.474 45.563 45.100 -0.018 0.000 0.642 645 G HN 0.709 nan 8.290 nan 0.000 0.536 646 V N -0.408 119.433 119.914 -0.122 0.000 2.453 646 V HA 0.224 4.345 4.120 0.001 0.000 0.247 646 V C 1.306 177.109 176.094 -0.485 0.000 1.048 646 V CA 1.569 63.645 62.300 -0.372 0.000 1.049 646 V CB -0.403 31.034 31.823 -0.643 0.000 0.672 646 V HN 0.319 nan 8.190 nan 0.000 0.457 647 F N 0.033 119.994 119.950 0.017 0.000 2.421 647 F HA 0.388 4.915 4.527 0.001 0.000 0.337 647 F C 1.128 176.967 175.800 0.064 0.000 1.105 647 F CA -0.524 57.512 58.000 0.060 0.000 1.049 647 F CB 1.306 40.346 39.000 0.066 0.000 1.139 647 F HN -0.229 nan 8.300 nan 0.000 0.479 648 K N 1.583 122.136 120.400 0.255 0.000 2.211 648 K HA 0.134 4.455 4.320 0.001 0.000 0.201 648 K C -0.199 176.523 176.600 0.203 0.000 1.052 648 K CA 0.768 57.168 56.287 0.189 0.000 0.973 648 K CB 0.260 32.864 32.500 0.173 0.000 0.766 648 K HN 0.792 nan 8.250 nan 0.000 0.466 649 c N -2.286 116.469 118.600 0.260 0.000 3.311 649 c HA 0.897 5.467 4.570 0.001 0.000 0.325 649 c C -0.240 174.064 174.090 0.356 0.000 1.352 649 c CA -0.638 55.863 56.329 0.286 0.000 1.308 649 c CB 1.107 43.698 42.510 0.135 0.000 1.619 649 c HN 0.322 nan 8.230 nan 0.000 0.469 650 G N 0.197 109.275 108.800 0.464 0.000 2.698 650 G HA2 0.743 4.704 3.960 0.001 0.000 0.293 650 G HA3 0.743 4.704 3.960 0.001 0.000 0.293 650 G C -1.904 173.249 174.900 0.422 0.000 1.437 650 G CA -0.720 44.628 45.100 0.413 0.000 0.852 650 G HN 1.000 nan 8.290 nan 0.000 0.499 651 I N 0.714 121.499 120.570 0.358 0.000 2.466 651 I HA 0.611 4.781 4.170 0.001 0.000 0.289 651 I C 0.092 176.345 176.117 0.227 0.000 1.026 651 I CA -1.004 60.406 61.300 0.182 0.000 1.078 651 I CB 2.259 40.361 38.000 0.170 0.000 1.249 651 I HN 0.636 nan 8.210 nan 0.000 0.429 652 A N 6.488 129.329 122.820 0.035 0.000 2.304 652 A HA 0.777 5.097 4.320 0.001 0.000 0.314 652 A C -0.776 176.718 177.584 -0.149 0.000 1.187 652 A CA -0.503 51.549 52.037 0.025 0.000 0.810 652 A CB 1.152 20.220 19.000 0.113 0.000 1.183 652 A HN 0.443 nan 8.150 nan 0.000 0.487 653 V N 2.144 121.923 119.914 -0.224 0.000 2.384 653 V HA 0.575 4.696 4.120 0.001 0.000 0.287 653 V C 0.899 176.585 176.094 -0.680 0.000 1.020 653 V CA 0.316 62.257 62.300 -0.598 0.000 0.850 653 V CB 0.781 31.936 31.823 -1.114 0.000 0.987 653 V HN 2.111 nan 8.190 nan 0.000 0.436 654 A N 5.586 127.992 122.820 -0.689 0.000 2.560 654 A HA -0.103 4.218 4.320 0.001 0.000 0.299 654 A C -1.656 175.778 177.584 -0.248 0.000 1.484 654 A CA 0.543 52.098 52.037 -0.804 0.000 0.749 654 A CB -1.568 17.075 19.000 -0.594 0.000 1.072 654 A HN 0.621 nan 8.150 nan 0.000 0.426 655 P HA 0.439 nan 4.420 nan 0.000 0.276 655 P C 0.117 177.365 177.300 -0.086 0.000 1.244 655 P CA -0.268 62.795 63.100 -0.061 0.000 0.801 655 P CB 1.360 33.050 31.700 -0.017 0.000 1.006 656 V N 1.877 121.641 119.914 -0.249 0.000 2.649 656 V HA 0.088 4.209 4.120 0.001 0.000 0.292 656 V C 1.728 177.605 176.094 -0.362 0.000 1.055 656 V CA 0.825 62.829 62.300 -0.493 0.000 1.023 656 V CB 0.939 32.063 31.823 -1.164 0.000 0.992 656 V HN 0.837 nan 8.190 nan 0.000 0.480 657 S N 4.410 119.938 115.700 -0.286 0.000 2.564 657 S HA 0.232 4.702 4.470 0.001 0.000 0.231 657 S C 0.494 174.913 174.600 -0.301 0.000 1.067 657 S CA -0.327 57.775 58.200 -0.163 0.000 0.908 657 S CB 0.300 63.473 63.200 -0.045 0.000 0.809 657 S HN 0.825 nan 8.310 nan 0.000 0.491 658 R N -1.261 118.932 120.500 -0.512 0.000 2.566 658 R HA 0.490 4.831 4.340 0.001 0.000 0.271 658 R C -0.893 175.036 176.300 -0.618 0.000 1.071 658 R CA -0.882 54.857 56.100 -0.601 0.000 0.915 658 R CB -0.106 29.812 30.300 -0.637 0.000 1.228 658 R HN 0.137 nan 8.270 nan 0.000 0.449 659 W N 1.367 122.557 121.300 -0.184 0.000 2.421 659 W HA -0.027 4.633 4.660 0.001 0.000 0.270 659 W C 1.130 177.764 176.519 0.192 0.000 1.233 659 W CA 0.829 58.153 57.345 -0.035 0.000 1.226 659 W CB 0.218 29.563 29.460 -0.192 0.000 1.121 659 W HN 0.733 nan 8.180 nan 0.000 0.579 660 E N -0.988 119.382 120.200 0.282 0.000 2.409 660 E HA -0.183 4.168 4.350 0.001 0.000 0.198 660 E C 1.224 177.986 176.600 0.269 0.000 1.024 660 E CA 0.727 57.265 56.400 0.229 0.000 0.861 660 E CB -0.173 29.556 29.700 0.049 0.000 0.788 660 E HN 0.377 nan 8.360 nan 0.000 0.521 661 Y N -1.548 118.848 120.300 0.159 0.000 2.517 661 Y HA 0.051 4.601 4.550 0.001 0.000 0.281 661 Y C 0.737 176.745 175.900 0.181 0.000 1.125 661 Y CA -0.271 57.895 58.100 0.110 0.000 1.283 661 Y CB -0.392 38.074 38.460 0.010 0.000 1.042 661 Y HN 0.014 nan 8.280 nan 0.000 0.547 662 Y N 2.131 122.593 120.300 0.271 0.000 2.334 662 Y HA 0.264 4.815 4.550 0.001 0.000 0.325 662 Y C 0.366 176.482 175.900 0.360 0.000 1.308 662 Y CA -2.031 56.237 58.100 0.279 0.000 1.389 662 Y CB 0.301 38.965 38.460 0.340 0.000 1.328 662 Y HN 0.209 nan 8.280 nan 0.000 0.532 663 D N -0.482 119.546 120.400 -0.621 0.000 2.382 663 D HA 0.088 4.729 4.640 0.001 0.000 0.240 663 D C 0.938 177.189 176.300 -0.082 0.000 1.146 663 D CA 0.383 54.136 54.000 -0.411 0.000 0.897 663 D CB 0.897 41.236 40.800 -0.768 0.000 1.197 663 D HN 0.481 nan 8.370 nan 0.000 0.432 664 S N 1.321 116.999 115.700 -0.038 0.000 2.353 664 S HA -0.231 4.239 4.470 0.001 0.000 0.222 664 S C 1.966 176.587 174.600 0.035 0.000 1.035 664 S CA 1.193 59.427 58.200 0.058 0.000 1.025 664 S CB -1.059 62.185 63.200 0.074 0.000 0.902 664 S HN 0.442 nan 8.310 nan 0.000 0.440 665 V N 0.711 120.581 119.914 -0.074 0.000 2.380 665 V HA -0.187 3.934 4.120 0.001 0.000 0.251 665 V C 2.296 178.299 176.094 -0.153 0.000 1.063 665 V CA 2.286 64.448 62.300 -0.229 0.000 1.055 665 V CB -1.084 30.443 31.823 -0.493 0.000 0.657 665 V HN 0.633 nan 8.190 nan 0.000 0.455 666 Y N 1.112 121.347 120.300 -0.109 0.000 2.201 666 Y HA -0.132 4.419 4.550 0.001 0.000 0.292 666 Y C 2.701 178.612 175.900 0.018 0.000 1.119 666 Y CA 2.006 60.118 58.100 0.020 0.000 1.127 666 Y CB -0.490 38.174 38.460 0.340 0.000 1.019 666 Y HN 0.192 nan 8.280 nan 0.000 0.514 667 T N 0.506 115.294 114.554 0.390 0.000 2.674 667 T HA -0.201 4.149 4.350 0.001 0.000 0.265 667 T C 1.545 176.236 174.700 -0.016 0.000 1.039 667 T CA 2.000 64.246 62.100 0.243 0.000 1.150 667 T CB -0.323 68.824 68.868 0.466 0.000 0.864 667 T HN 0.423 nan 8.240 nan 0.000 0.427 668 E N 0.497 120.713 120.200 0.027 0.000 2.268 668 E HA -0.098 4.253 4.350 0.001 0.000 0.195 668 E C 2.327 178.822 176.600 -0.175 0.000 0.995 668 E CA 0.463 56.869 56.400 0.010 0.000 0.836 668 E CB -0.110 29.636 29.700 0.078 0.000 0.763 668 E HN 0.329 nan 8.360 nan 0.000 0.491 669 R N 0.043 120.278 120.500 -0.441 0.000 2.091 669 R HA -0.194 4.147 4.340 0.001 0.000 0.238 669 R C 1.273 177.052 176.300 -0.869 0.000 1.136 669 R CA 1.627 57.264 56.100 -0.772 0.000 0.959 669 R CB -0.018 29.438 30.300 -1.406 0.000 0.856 669 R HN 0.220 nan 8.270 nan 0.000 0.437 670 Y N -2.130 117.867 120.300 -0.505 0.000 2.524 670 Y HA 0.227 4.778 4.550 0.001 0.000 0.270 670 Y C 1.654 177.377 175.900 -0.295 0.000 1.094 670 Y CA 0.100 57.896 58.100 -0.507 0.000 1.276 670 Y CB 0.385 38.410 38.460 -0.724 0.000 1.130 670 Y HN -0.038 nan 8.280 nan 0.000 0.536 671 M N -0.141 119.364 119.600 -0.158 0.000 2.333 671 M HA 0.355 4.836 4.480 0.001 0.000 0.257 671 M C 0.953 177.298 176.300 0.074 0.000 1.078 671 M CA 0.667 55.885 55.300 -0.137 0.000 1.005 671 M CB -0.460 31.856 32.600 -0.474 0.000 1.444 671 M HN 0.343 nan 8.290 nan 0.000 0.496 672 G N 1.881 110.726 108.800 0.075 0.000 2.697 672 G HA2 -0.245 3.716 3.960 0.001 0.000 0.240 672 G HA3 -0.245 3.716 3.960 0.001 0.000 0.240 672 G C -0.474 174.564 174.900 0.229 0.000 1.346 672 G CA -0.766 44.410 45.100 0.127 0.000 0.887 672 G HN 0.366 nan 8.290 nan 0.000 0.569 673 L N 1.750 123.068 121.223 0.158 0.000 2.375 673 L HA 0.422 4.762 4.340 0.001 0.000 0.271 673 L C -1.337 175.530 176.870 -0.005 0.000 1.107 673 L CA -1.661 53.229 54.840 0.083 0.000 0.806 673 L CB 1.676 43.751 42.059 0.025 0.000 1.146 673 L HN 0.471 nan 8.230 nan 0.000 0.447 674 P HA 0.086 nan 4.420 nan 0.000 0.212 674 P C -0.588 176.552 177.300 -0.267 0.000 1.816 674 P CA -0.140 62.540 63.100 -0.700 0.000 0.944 674 P CB -0.280 30.622 31.700 -1.330 0.000 1.896 675 T N -2.880 111.610 114.554 -0.106 0.000 2.908 675 T HA 0.459 4.810 4.350 0.001 0.000 0.290 675 T C -1.940 172.756 174.700 -0.008 0.000 1.034 675 T CA -2.437 59.633 62.100 -0.050 0.000 1.010 675 T CB 2.028 70.879 68.868 -0.030 0.000 1.068 675 T HN -0.210 nan 8.240 nan 0.000 0.481 676 P HA -0.141 nan 4.420 nan 0.000 0.216 676 P C 0.616 177.931 177.300 0.024 0.000 1.150 676 P CA 1.392 64.502 63.100 0.017 0.000 0.837 676 P CB 0.065 31.772 31.700 0.011 0.000 0.786 677 E N -0.994 119.216 120.200 0.017 0.000 2.511 677 E HA -0.028 4.323 4.350 0.001 0.000 0.196 677 E C 1.287 177.903 176.600 0.027 0.000 1.066 677 E CA 0.479 56.890 56.400 0.018 0.000 0.871 677 E CB -0.362 29.344 29.700 0.010 0.000 0.863 677 E HN 0.340 nan 8.360 nan 0.000 0.520 678 D N -0.270 120.153 120.400 0.038 0.000 3.112 678 D HA 0.082 4.723 4.640 0.001 0.000 0.212 678 D C 0.096 176.450 176.300 0.091 0.000 1.376 678 D CA 0.031 54.065 54.000 0.056 0.000 1.411 678 D CB 0.041 40.874 40.800 0.056 0.000 0.965 678 D HN 0.013 nan 8.370 nan 0.000 0.192 679 N N 0.048 118.833 118.700 0.140 0.000 2.305 679 N HA 0.085 4.826 4.740 0.001 0.000 0.248 679 N C 1.055 176.754 175.510 0.316 0.000 1.290 679 N CA -0.066 53.116 53.050 0.220 0.000 0.873 679 N CB 0.226 38.867 38.487 0.257 0.000 1.261 679 N HN 0.088 nan 8.380 nan 0.000 0.504 680 L N 0.632 121.963 121.223 0.181 0.000 2.051 680 L HA -0.162 4.179 4.340 0.001 0.000 0.214 680 L C 1.193 178.178 176.870 0.193 0.000 1.076 680 L CA 2.051 56.975 54.840 0.141 0.000 0.758 680 L CB -0.552 41.523 42.059 0.026 0.000 0.890 680 L HN 0.174 nan 8.230 nan 0.000 0.433 681 D N -1.421 119.071 120.400 0.153 0.000 2.133 681 D HA -0.265 4.376 4.640 0.001 0.000 0.195 681 D C 2.077 178.477 176.300 0.166 0.000 0.997 681 D CA 1.811 55.891 54.000 0.133 0.000 0.840 681 D CB -0.238 40.628 40.800 0.110 0.000 0.947 681 D HN 0.604 nan 8.370 nan 0.000 0.452 682 H N -0.904 118.240 119.070 0.123 0.000 2.462 682 H HA -0.049 4.508 4.556 0.001 0.000 0.292 682 H C 1.659 177.058 175.328 0.118 0.000 1.049 682 H CA 1.085 57.184 56.048 0.085 0.000 1.334 682 H CB -0.254 29.526 29.762 0.030 0.000 1.404 682 H HN 0.172 nan 8.280 nan 0.000 0.544 683 Y N 0.065 120.354 120.300 -0.018 0.000 2.181 683 Y HA -0.141 4.409 4.550 0.001 0.000 0.288 683 Y C 2.299 178.162 175.900 -0.061 0.000 1.146 683 Y CA 1.228 59.320 58.100 -0.013 0.000 1.164 683 Y CB 0.203 38.689 38.460 0.042 0.000 0.982 683 Y HN 0.109 nan 8.280 nan 0.000 0.515 684 R N -0.251 120.320 120.500 0.119 0.000 2.153 684 R HA -0.030 4.310 4.340 0.001 0.000 0.218 684 R C 1.241 177.535 176.300 -0.010 0.000 1.072 684 R CA 0.671 56.795 56.100 0.040 0.000 0.990 684 R CB -0.607 29.720 30.300 0.044 0.000 0.889 684 R HN 0.379 nan 8.270 nan 0.000 0.452 685 N N 0.544 119.222 118.700 -0.036 0.000 2.463 685 N HA -0.044 4.697 4.740 0.001 0.000 0.181 685 N C 0.588 176.047 175.510 -0.085 0.000 1.078 685 N CA 0.657 53.684 53.050 -0.039 0.000 0.902 685 N CB 0.286 38.786 38.487 0.021 0.000 0.970 685 N HN 0.148 nan 8.380 nan 0.000 0.451 686 S N -0.691 114.908 115.700 -0.168 0.000 2.561 686 S HA 0.098 4.569 4.470 0.001 0.000 0.245 686 S C 0.604 175.222 174.600 0.029 0.000 1.001 686 S CA -0.734 57.414 58.200 -0.087 0.000 1.002 686 S CB -0.427 62.650 63.200 -0.206 0.000 0.805 686 S HN 0.166 nan 8.310 nan 0.000 0.458 687 T N -1.789 112.749 114.554 -0.028 0.000 2.918 687 T HA 0.527 4.878 4.350 0.001 0.000 0.283 687 T C 1.291 175.973 174.700 -0.031 0.000 1.001 687 T CA -0.644 61.428 62.100 -0.048 0.000 1.041 687 T CB 1.316 70.128 68.868 -0.093 0.000 1.028 687 T HN -0.042 nan 8.240 nan 0.000 0.511 688 V N 1.440 121.331 119.914 -0.038 0.000 2.379 688 V HA -0.107 4.014 4.120 0.001 0.000 0.245 688 V C 2.670 178.732 176.094 -0.055 0.000 1.044 688 V CA 1.574 63.846 62.300 -0.047 0.000 1.036 688 V CB -0.951 30.836 31.823 -0.059 0.000 0.664 688 V HN 0.820 nan 8.190 nan 0.000 0.453 689 M N 1.292 120.846 119.600 -0.078 0.000 2.089 689 M HA -0.215 4.266 4.480 0.001 0.000 0.257 689 M C 2.381 178.653 176.300 -0.047 0.000 1.071 689 M CA 2.416 57.669 55.300 -0.079 0.000 1.096 689 M CB -1.025 31.538 32.600 -0.062 0.000 1.330 689 M HN 0.533 nan 8.290 nan 0.000 0.403 690 S N -0.512 115.169 115.700 -0.031 0.000 2.500 690 S HA -0.117 4.354 4.470 0.001 0.000 0.239 690 S C 1.780 176.383 174.600 0.005 0.000 0.989 690 S CA 0.944 59.136 58.200 -0.013 0.000 0.951 690 S CB -0.450 62.743 63.200 -0.013 0.000 0.759 690 S HN 0.532 nan 8.310 nan 0.000 0.523 691 R N 0.303 120.816 120.500 0.022 0.000 2.393 691 R HA 0.491 4.832 4.340 0.001 0.000 0.244 691 R C 2.234 178.630 176.300 0.160 0.000 0.920 691 R CA 0.443 56.582 56.100 0.066 0.000 1.076 691 R CB -0.273 30.060 30.300 0.055 0.000 1.119 691 R HN 0.448 nan 8.270 nan 0.000 0.524 692 A N 1.645 124.513 122.820 0.080 0.000 1.909 692 A HA -0.345 3.975 4.320 0.001 0.000 0.221 692 A C 1.987 179.664 177.584 0.155 0.000 1.223 692 A CA 2.160 54.220 52.037 0.037 0.000 0.658 692 A CB -0.459 18.504 19.000 -0.062 0.000 0.831 692 A HN 0.357 nan 8.150 nan 0.000 0.462 693 E N 0.091 120.349 120.200 0.096 0.000 2.147 693 E HA -0.205 4.146 4.350 0.001 0.000 0.199 693 E C 1.464 178.127 176.600 0.104 0.000 1.005 693 E CA 1.590 58.041 56.400 0.086 0.000 0.810 693 E CB -0.185 29.545 29.700 0.051 0.000 0.736 693 E HN 0.638 nan 8.360 nan 0.000 0.460 694 N N -0.576 118.182 118.700 0.097 0.000 2.571 694 N HA -0.087 4.653 4.740 0.001 0.000 0.189 694 N C 0.452 175.939 175.510 -0.038 0.000 1.154 694 N CA 0.487 53.544 53.050 0.011 0.000 0.907 694 N CB -0.040 38.409 38.487 -0.063 0.000 0.977 694 N HN 0.242 nan 8.380 nan 0.000 0.449 695 F N 1.125 121.040 119.950 -0.059 0.000 2.789 695 F HA 0.148 4.676 4.527 0.001 0.000 0.300 695 F C 1.921 177.729 175.800 0.013 0.000 1.132 695 F CA 0.196 58.158 58.000 -0.063 0.000 1.404 695 F CB 0.327 39.248 39.000 -0.132 0.000 1.114 695 F HN -0.101 nan 8.300 nan 0.000 0.584 696 K N 0.078 120.579 120.400 0.169 0.000 2.280 696 K HA -0.164 4.157 4.320 0.001 0.000 0.202 696 K C 1.323 177.986 176.600 0.104 0.000 1.047 696 K CA 0.991 57.358 56.287 0.134 0.000 0.942 696 K CB -0.169 32.389 32.500 0.096 0.000 0.739 696 K HN 0.420 nan 8.250 nan 0.000 0.457 697 Q N 0.689 120.529 119.800 0.067 0.000 2.320 697 Q HA 0.049 4.390 4.340 0.001 0.000 0.201 697 Q C 0.257 176.298 176.000 0.067 0.000 0.910 697 Q CA 0.086 55.921 55.803 0.053 0.000 0.946 697 Q CB 0.663 29.415 28.738 0.024 0.000 1.062 697 Q HN 0.127 nan 8.270 nan 0.000 0.503 698 V N -3.352 116.620 119.914 0.096 0.000 3.160 698 V HA 0.506 4.627 4.120 0.001 0.000 0.310 698 V C -1.123 175.112 176.094 0.236 0.000 1.181 698 V CA -1.266 61.115 62.300 0.135 0.000 1.047 698 V CB 2.375 34.243 31.823 0.075 0.000 1.068 698 V HN -0.034 nan 8.190 nan 0.000 0.441 699 E N 1.360 121.729 120.200 0.283 0.000 2.134 699 E HA 0.471 4.822 4.350 0.001 0.000 0.278 699 E C -1.917 175.050 176.600 0.612 0.000 0.959 699 E CA -0.385 56.258 56.400 0.405 0.000 0.783 699 E CB 1.809 31.685 29.700 0.293 0.000 1.095 699 E HN 0.688 nan 8.360 nan 0.000 0.399 700 Y N 3.557 124.115 120.300 0.430 0.000 2.376 700 Y HA 0.456 5.007 4.550 0.001 0.000 0.340 700 Y C -1.689 174.282 175.900 0.118 0.000 0.965 700 Y CA -1.435 56.854 58.100 0.314 0.000 1.078 700 Y CB 1.045 39.721 38.460 0.361 0.000 1.193 700 Y HN 0.416 nan 8.280 nan 0.000 0.452 701 L N 7.752 128.701 121.223 -0.456 0.000 2.349 701 L HA 0.628 4.969 4.340 0.001 0.000 0.278 701 L C -2.196 174.217 176.870 -0.761 0.000 0.996 701 L CA -0.827 53.592 54.840 -0.701 0.000 0.825 701 L CB 1.406 42.731 42.059 -1.223 0.000 1.243 701 L HN 0.654 nan 8.230 nan 0.000 0.412 702 L N 6.643 127.498 121.223 -0.612 0.000 2.325 702 L HA 0.702 5.042 4.340 0.001 0.000 0.281 702 L C -1.203 175.529 176.870 -0.229 0.000 1.004 702 L CA -0.019 54.500 54.840 -0.534 0.000 0.823 702 L CB 1.162 42.880 42.059 -0.568 0.000 1.236 702 L HN 0.595 nan 8.230 nan 0.000 0.415 703 I N 4.359 124.809 120.570 -0.200 0.000 2.689 703 I HA 0.517 4.687 4.170 0.001 0.000 0.299 703 I C -1.088 175.006 176.117 -0.039 0.000 1.059 703 I CA -0.763 60.479 61.300 -0.097 0.000 1.055 703 I CB 2.095 40.013 38.000 -0.138 0.000 1.243 703 I HN 0.694 nan 8.210 nan 0.000 0.425 704 H N 1.790 120.891 119.070 0.052 0.000 3.121 704 H HA 0.443 4.999 4.556 0.001 0.000 0.337 704 H C -0.530 175.003 175.328 0.342 0.000 1.198 704 H CA -0.612 55.518 56.048 0.136 0.000 1.274 704 H CB 1.885 31.692 29.762 0.075 0.000 1.954 704 H HN 0.759 nan 8.280 nan 0.000 0.531 705 G N 0.901 110.039 108.800 0.563 0.000 2.372 705 G HA2 0.241 4.202 3.960 0.001 0.000 0.283 705 G HA3 0.241 4.202 3.960 0.001 0.000 0.283 705 G C 1.138 176.291 174.900 0.422 0.000 1.177 705 G CA 0.113 45.490 45.100 0.463 0.000 0.842 705 G HN 0.741 nan 8.290 nan 0.000 0.503 706 T N -0.672 113.979 114.554 0.163 0.000 3.007 706 T HA 0.057 4.408 4.350 0.001 0.000 0.270 706 T C 1.720 176.364 174.700 -0.094 0.000 1.107 706 T CA 1.304 63.311 62.100 -0.155 0.000 1.118 706 T CB 0.145 68.849 68.868 -0.274 0.000 0.889 706 T HN 0.663 nan 8.240 nan 0.000 0.506 707 A N 0.886 123.714 122.820 0.013 0.000 2.577 707 A HA 0.300 4.620 4.320 0.001 0.000 0.280 707 A C 0.460 177.989 177.584 -0.092 0.000 1.331 707 A CA -0.492 51.527 52.037 -0.029 0.000 0.935 707 A CB -0.257 18.910 19.000 0.279 0.000 1.082 707 A HN 0.393 nan 8.150 nan 0.000 0.525 708 D N 1.507 121.891 120.400 -0.026 0.000 2.346 708 D HA -0.001 4.640 4.640 0.001 0.000 0.260 708 D C 0.296 176.557 176.300 -0.064 0.000 1.252 708 D CA 0.211 54.290 54.000 0.132 0.000 0.895 708 D CB 0.725 41.755 40.800 0.383 0.000 1.097 708 D HN 0.559 nan 8.370 nan 0.000 0.489 709 D N 2.365 122.792 120.400 0.044 0.000 2.354 709 D HA -0.124 4.517 4.640 0.001 0.000 0.209 709 D C 1.007 177.317 176.300 0.016 0.000 1.015 709 D CA -0.155 53.831 54.000 -0.023 0.000 0.867 709 D CB 0.366 41.114 40.800 -0.088 0.000 0.933 709 D HN 0.211 nan 8.370 nan 0.000 0.520 710 N N 1.091 119.892 118.700 0.169 0.000 2.255 710 N HA -0.063 4.677 4.740 0.001 0.000 0.192 710 N C 0.010 175.483 175.510 -0.061 0.000 1.049 710 N CA 0.687 53.880 53.050 0.238 0.000 0.886 710 N CB 0.196 38.766 38.487 0.138 0.000 1.064 710 N HN -0.098 nan 8.380 nan 0.000 0.457 711 V N 3.711 123.569 119.914 -0.092 0.000 2.304 711 V HA 0.190 4.311 4.120 0.001 0.000 0.269 711 V C -0.602 175.517 176.094 0.042 0.000 1.036 711 V CA -0.694 61.571 62.300 -0.058 0.000 0.840 711 V CB 0.113 31.940 31.823 0.006 0.000 1.036 711 V HN 0.320 nan 8.190 nan 0.000 0.466 712 H N 3.664 122.717 119.070 -0.027 0.000 2.897 712 H HA 0.008 4.565 4.556 0.001 0.000 0.347 712 H C 0.917 176.117 175.328 -0.213 0.000 1.068 712 H CA -0.308 55.651 56.048 -0.148 0.000 1.426 712 H CB 0.522 30.111 29.762 -0.288 0.000 1.410 712 H HN 0.622 nan 8.280 nan 0.000 0.597 713 F N 2.151 121.904 119.950 -0.328 0.000 2.176 713 F HA -0.328 4.200 4.527 0.001 0.000 0.301 713 F C 2.576 178.091 175.800 -0.474 0.000 1.071 713 F CA 2.076 59.661 58.000 -0.690 0.000 1.289 713 F CB -0.104 38.668 39.000 -0.380 0.000 1.028 713 F HN 0.676 nan 8.300 nan 0.000 0.494 714 Q N 0.106 119.761 119.800 -0.241 0.000 2.118 714 Q HA -0.332 4.009 4.340 0.001 0.000 0.211 714 Q C 2.130 177.889 176.000 -0.401 0.000 0.998 714 Q CA 2.416 58.025 55.803 -0.324 0.000 0.872 714 Q CB -0.378 28.133 28.738 -0.378 0.000 0.925 714 Q HN 0.592 nan 8.270 nan 0.000 0.414 715 Q N -0.289 119.326 119.800 -0.308 0.000 2.077 715 Q HA -0.144 4.196 4.340 0.001 0.000 0.206 715 Q C 2.258 178.144 176.000 -0.191 0.000 0.989 715 Q CA 1.865 57.602 55.803 -0.110 0.000 0.853 715 Q CB -0.192 28.551 28.738 0.008 0.000 0.907 715 Q HN 0.351 nan 8.270 nan 0.000 0.418 716 S N 0.568 116.034 115.700 -0.391 0.000 2.436 716 S HA 0.016 4.487 4.470 0.001 0.000 0.228 716 S C 2.006 176.327 174.600 -0.464 0.000 1.014 716 S CA 0.654 58.620 58.200 -0.389 0.000 0.950 716 S CB -0.054 62.895 63.200 -0.418 0.000 0.784 716 S HN 0.463 nan 8.310 nan 0.000 0.504 717 A N 1.484 123.937 122.820 -0.611 0.000 1.902 717 A HA -0.127 4.194 4.320 0.001 0.000 0.217 717 A C 2.141 179.610 177.584 -0.191 0.000 1.181 717 A CA 1.119 52.933 52.037 -0.371 0.000 0.623 717 A CB -0.407 18.432 19.000 -0.268 0.000 0.818 717 A HN 0.348 nan 8.150 nan 0.000 0.443 718 Q N -0.435 119.268 119.800 -0.162 0.000 2.172 718 Q HA -0.010 4.331 4.340 0.001 0.000 0.200 718 Q C 2.137 178.081 176.000 -0.093 0.000 0.964 718 Q CA 0.951 56.715 55.803 -0.064 0.000 0.855 718 Q CB -0.318 28.460 28.738 0.067 0.000 0.918 718 Q HN 0.774 nan 8.270 nan 0.000 0.444 719 I N 1.127 121.611 120.570 -0.142 0.000 2.113 719 I HA -0.295 3.875 4.170 0.001 0.000 0.238 719 I C 2.559 178.512 176.117 -0.273 0.000 1.070 719 I CA 1.531 62.705 61.300 -0.209 0.000 1.332 719 I CB -0.525 37.349 38.000 -0.210 0.000 1.044 719 I HN 0.202 nan 8.210 nan 0.000 0.402 720 S N 1.095 116.645 115.700 -0.249 0.000 2.370 720 S HA -0.315 4.156 4.470 0.001 0.000 0.226 720 S C 2.019 176.595 174.600 -0.040 0.000 1.033 720 S CA 1.763 59.853 58.200 -0.183 0.000 1.011 720 S CB -0.564 62.670 63.200 0.057 0.000 0.852 720 S HN 0.398 nan 8.310 nan 0.000 0.457 721 K N 1.841 122.218 120.400 -0.039 0.000 2.097 721 K HA 0.009 4.329 4.320 0.001 0.000 0.206 721 K C 2.228 178.815 176.600 -0.023 0.000 1.049 721 K CA 1.205 57.487 56.287 -0.008 0.000 0.933 721 K CB -0.679 31.811 32.500 -0.017 0.000 0.717 721 K HN 0.457 nan 8.250 nan 0.000 0.442 722 A N 0.929 123.707 122.820 -0.070 0.000 1.930 722 A HA -0.047 4.274 4.320 0.001 0.000 0.217 722 A C 2.068 179.602 177.584 -0.084 0.000 1.175 722 A CA 1.062 53.054 52.037 -0.075 0.000 0.627 722 A CB -0.469 18.468 19.000 -0.104 0.000 0.815 722 A HN 0.316 nan 8.150 nan 0.000 0.443 723 L N -0.678 120.458 121.223 -0.144 0.000 2.056 723 L HA -0.138 4.203 4.340 0.001 0.000 0.207 723 L C 2.518 179.427 176.870 0.066 0.000 1.078 723 L CA 0.956 55.728 54.840 -0.113 0.000 0.749 723 L CB -0.562 41.310 42.059 -0.312 0.000 0.901 723 L HN 0.229 nan 8.230 nan 0.000 0.433 724 V N -0.136 119.849 119.914 0.118 0.000 2.343 724 V HA -0.303 3.818 4.120 0.001 0.000 0.247 724 V C 2.037 178.171 176.094 0.067 0.000 1.051 724 V CA 1.904 64.281 62.300 0.127 0.000 1.036 724 V CB -0.539 31.355 31.823 0.117 0.000 0.654 724 V HN 0.444 nan 8.190 nan 0.000 0.451 725 D N 0.287 120.709 120.400 0.037 0.000 2.218 725 D HA -0.107 4.533 4.640 0.001 0.000 0.204 725 D C 1.716 178.032 176.300 0.027 0.000 0.976 725 D CA 1.690 55.705 54.000 0.025 0.000 0.853 725 D CB -0.080 40.726 40.800 0.011 0.000 0.939 725 D HN 0.575 nan 8.370 nan 0.000 0.481 726 V N -3.796 116.137 119.914 0.032 0.000 3.376 726 V HA 0.511 4.631 4.120 0.001 0.000 0.313 726 V C 1.227 177.354 176.094 0.054 0.000 1.393 726 V CA 0.216 62.538 62.300 0.038 0.000 1.125 726 V CB -0.046 31.798 31.823 0.035 0.000 1.037 726 V HN 0.127 nan 8.190 nan 0.000 0.440 727 G N 0.405 109.243 108.800 0.063 0.000 2.221 727 G HA2 -0.194 3.766 3.960 0.001 0.000 0.265 727 G HA3 -0.194 3.766 3.960 0.001 0.000 0.265 727 G C 0.006 174.965 174.900 0.098 0.000 1.041 727 G CA 0.450 45.593 45.100 0.072 0.000 0.807 727 G HN 1.504 nan 8.290 nan 0.000 0.502 728 V N -0.046 119.948 119.914 0.134 0.000 2.370 728 V HA 0.631 4.752 4.120 0.001 0.000 0.279 728 V C 0.269 176.527 176.094 0.274 0.000 1.029 728 V CA -0.510 61.900 62.300 0.183 0.000 0.870 728 V CB 1.523 33.457 31.823 0.185 0.000 0.984 728 V HN 0.361 nan 8.190 nan 0.000 0.451 729 D N 5.719 126.247 120.400 0.213 0.000 2.341 729 D HA 0.554 5.195 4.640 0.001 0.000 0.245 729 D C -0.503 175.978 176.300 0.302 0.000 1.106 729 D CA 0.371 54.465 54.000 0.157 0.000 0.905 729 D CB 0.817 41.663 40.800 0.076 0.000 1.202 729 D HN 0.605 nan 8.370 nan 0.000 0.426 730 F N -0.490 119.529 119.950 0.114 0.000 2.817 730 F HA 0.440 4.968 4.527 0.001 0.000 0.317 730 F C -1.649 174.198 175.800 0.078 0.000 1.168 730 F CA -1.168 56.919 58.000 0.146 0.000 0.911 730 F CB 0.709 39.830 39.000 0.201 0.000 1.337 730 F HN 0.079 nan 8.300 nan 0.000 0.464 731 Q N 1.442 121.345 119.800 0.172 0.000 2.235 731 Q HA 0.841 5.182 4.340 0.001 0.000 0.256 731 Q C -0.789 175.260 176.000 0.082 0.000 0.951 731 Q CA -0.703 55.106 55.803 0.010 0.000 0.890 731 Q CB 1.949 30.678 28.738 -0.016 0.000 1.279 731 Q HN 1.068 nan 8.270 nan 0.000 0.444 732 A N 1.502 124.326 122.820 0.006 0.000 2.587 732 A HA 0.853 5.174 4.320 0.001 0.000 0.293 732 A C -1.446 176.102 177.584 -0.061 0.000 1.087 732 A CA -0.558 51.508 52.037 0.048 0.000 0.692 732 A CB 1.998 21.123 19.000 0.210 0.000 1.291 732 A HN 0.603 nan 8.150 nan 0.000 0.407 733 M N 1.064 120.603 119.600 -0.102 0.000 2.294 733 M HA 0.598 5.079 4.480 0.001 0.000 0.280 733 M C -2.154 173.996 176.300 -0.250 0.000 1.085 733 M CA -0.555 54.529 55.300 -0.359 0.000 0.969 733 M CB 1.203 33.519 32.600 -0.472 0.000 1.770 733 M HN 1.023 nan 8.290 nan 0.000 0.485 734 W N 4.167 125.282 121.300 -0.309 0.000 2.578 734 W HA 0.788 5.449 4.660 0.001 0.000 0.346 734 W C -2.071 174.162 176.519 -0.477 0.000 1.075 734 W CA -0.966 56.278 57.345 -0.170 0.000 1.233 734 W CB 0.450 29.875 29.460 -0.059 0.000 1.358 734 W HN 0.625 nan 8.180 nan 0.000 0.574 735 Y N 2.404 122.828 120.300 0.206 0.000 2.447 735 Y HA 0.292 4.843 4.550 0.001 0.000 0.325 735 Y C 0.551 176.545 175.900 0.157 0.000 0.976 735 Y CA -1.025 57.112 58.100 0.063 0.000 1.280 735 Y CB 1.495 39.966 38.460 0.019 0.000 1.104 735 Y HN 0.418 nan 8.280 nan 0.000 0.486 736 T N 4.395 119.114 114.554 0.274 0.000 2.866 736 T HA -0.064 4.286 4.350 0.001 0.000 0.293 736 T C 0.234 174.986 174.700 0.086 0.000 1.005 736 T CA 0.785 62.985 62.100 0.168 0.000 1.162 736 T CB -0.155 68.765 68.868 0.087 0.000 0.968 736 T HN 0.723 nan 8.240 nan 0.000 0.530 737 D N 0.835 121.230 120.400 -0.008 0.000 3.077 737 D HA -0.125 4.516 4.640 0.001 0.000 0.217 737 D C 0.283 176.625 176.300 0.070 0.000 1.162 737 D CA 1.191 55.076 54.000 -0.192 0.000 0.943 737 D CB -0.354 40.188 40.800 -0.429 0.000 1.122 737 D HN 0.552 nan 8.370 nan 0.000 0.413 738 E N 0.711 121.009 120.200 0.162 0.000 2.277 738 E HA 0.357 4.708 4.350 0.001 0.000 0.274 738 E C 0.743 177.499 176.600 0.261 0.000 1.022 738 E CA -0.322 56.209 56.400 0.219 0.000 0.853 738 E CB 1.225 31.054 29.700 0.216 0.000 1.086 738 E HN 0.343 nan 8.360 nan 0.000 0.397 739 D N -0.502 120.074 120.400 0.293 0.000 2.481 739 D HA -0.008 4.633 4.640 0.001 0.000 0.283 739 D C 1.091 177.615 176.300 0.373 0.000 1.192 739 D CA -0.097 54.104 54.000 0.334 0.000 1.100 739 D CB -0.216 40.813 40.800 0.383 0.000 1.166 739 D HN 0.421 nan 8.370 nan 0.000 0.584 740 H N -1.733 117.516 119.070 0.297 0.000 2.489 740 H HA 0.131 4.688 4.556 0.001 0.000 0.293 740 H C 1.832 177.424 175.328 0.441 0.000 1.066 740 H CA 2.017 58.264 56.048 0.331 0.000 1.305 740 H CB -0.310 29.633 29.762 0.302 0.000 1.386 740 H HN 0.471 nan 8.280 nan 0.000 0.551 741 G N -0.530 108.465 108.800 0.325 0.000 2.939 741 G HA2 0.048 4.009 3.960 0.001 0.000 0.210 741 G HA3 0.048 4.009 3.960 0.001 0.000 0.210 741 G C 0.608 175.693 174.900 0.309 0.000 1.160 741 G CA 0.181 45.404 45.100 0.205 0.000 0.770 741 G HN 0.481 nan 8.290 nan 0.000 0.543 742 I N 0.288 121.060 120.570 0.337 0.000 3.859 742 I HA -0.346 3.824 4.170 0.001 0.000 0.126 742 I C 1.719 177.961 176.117 0.209 0.000 1.065 742 I CA 0.154 61.598 61.300 0.241 0.000 2.735 742 I CB -0.936 37.180 38.000 0.193 0.000 1.465 742 I HN 0.251 nan 8.210 nan 0.000 0.341 743 A N 1.227 124.140 122.820 0.155 0.000 2.308 743 A HA 0.225 4.546 4.320 0.001 0.000 0.217 743 A C 1.264 178.887 177.584 0.065 0.000 1.216 743 A CA 0.560 52.647 52.037 0.083 0.000 0.864 743 A CB 0.073 19.091 19.000 0.030 0.000 0.902 743 A HN 0.650 nan 8.150 nan 0.000 0.499 744 S N -0.102 115.653 115.700 0.091 0.000 2.566 744 S HA 0.106 4.577 4.470 0.001 0.000 0.280 744 S C 1.258 175.907 174.600 0.082 0.000 1.343 744 S CA 0.345 58.593 58.200 0.080 0.000 1.036 744 S CB 0.940 64.194 63.200 0.091 0.000 0.866 744 S HN 0.630 nan 8.310 nan 0.000 0.526 745 S N 2.220 117.958 115.700 0.064 0.000 2.365 745 S HA -0.199 4.272 4.470 0.001 0.000 0.225 745 S C 2.045 176.701 174.600 0.093 0.000 1.039 745 S CA 2.237 60.480 58.200 0.071 0.000 1.033 745 S CB -1.695 61.529 63.200 0.040 0.000 0.887 745 S HN 1.055 nan 8.310 nan 0.000 0.447 746 T N 0.013 114.611 114.554 0.072 0.000 2.777 746 T HA 0.159 4.510 4.350 0.001 0.000 0.266 746 T C 2.051 176.797 174.700 0.076 0.000 1.040 746 T CA 1.343 63.486 62.100 0.071 0.000 1.141 746 T CB -1.070 67.834 68.868 0.059 0.000 0.868 746 T HN 0.518 nan 8.240 nan 0.000 0.444 747 A N 1.526 124.368 122.820 0.037 0.000 1.930 747 A HA -0.097 4.224 4.320 0.001 0.000 0.217 747 A C 2.207 179.738 177.584 -0.089 0.000 1.175 747 A CA 2.047 54.026 52.037 -0.097 0.000 0.627 747 A CB -1.217 17.685 19.000 -0.164 0.000 0.815 747 A HN 0.750 nan 8.150 nan 0.000 0.443 748 H N 0.036 119.085 119.070 -0.034 0.000 2.290 748 H HA -0.152 4.405 4.556 0.001 0.000 0.298 748 H C 2.112 177.505 175.328 0.108 0.000 1.087 748 H CA 2.390 58.476 56.048 0.063 0.000 1.291 748 H CB -0.304 29.494 29.762 0.061 0.000 1.369 748 H HN 0.578 nan 8.280 nan 0.000 0.492 749 Q N -0.965 118.814 119.800 -0.035 0.000 2.084 749 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 749 Q C 2.255 178.228 176.000 -0.045 0.000 0.978 749 Q CA 1.424 57.165 55.803 -0.102 0.000 0.844 749 Q CB -0.259 28.464 28.738 -0.025 0.000 0.898 749 Q HN 0.643 nan 8.270 nan 0.000 0.426 750 H N 0.810 119.841 119.070 -0.064 0.000 2.357 750 H HA -0.059 4.498 4.556 0.001 0.000 0.301 750 H C 2.011 177.333 175.328 -0.010 0.000 1.082 750 H CA 1.271 57.315 56.048 -0.008 0.000 1.342 750 H CB -0.021 29.780 29.762 0.065 0.000 1.389 750 H HN 0.284 nan 8.280 nan 0.000 0.511 751 I N 0.051 120.613 120.570 -0.015 0.000 2.202 751 I HA -0.318 3.853 4.170 0.001 0.000 0.242 751 I C 1.789 177.721 176.117 -0.308 0.000 1.091 751 I CA 1.238 62.464 61.300 -0.123 0.000 1.368 751 I CB -0.300 37.453 38.000 -0.412 0.000 1.058 751 I HN 0.111 nan 8.210 nan 0.000 0.410 752 Y N 0.964 121.077 120.300 -0.311 0.000 2.352 752 Y HA -0.201 4.349 4.550 0.001 0.000 0.292 752 Y C 2.682 178.385 175.900 -0.329 0.000 1.136 752 Y CA 1.781 59.582 58.100 -0.498 0.000 1.227 752 Y CB -0.825 37.324 38.460 -0.517 0.000 0.991 752 Y HN 0.177 nan 8.280 nan 0.000 0.545 753 T N -1.716 112.759 114.554 -0.132 0.000 2.737 753 T HA -0.219 4.132 4.350 0.001 0.000 0.265 753 T C 1.574 176.136 174.700 -0.230 0.000 1.038 753 T CA 1.815 63.788 62.100 -0.212 0.000 1.144 753 T CB -0.443 68.299 68.868 -0.210 0.000 0.866 753 T HN 0.395 nan 8.240 nan 0.000 0.434 754 H N 0.839 119.788 119.070 -0.201 0.000 2.353 754 H HA 0.100 4.657 4.556 0.001 0.000 0.300 754 H C 2.128 177.461 175.328 0.008 0.000 1.090 754 H CA 1.588 57.606 56.048 -0.050 0.000 1.327 754 H CB -0.265 29.465 29.762 -0.054 0.000 1.383 754 H HN 0.265 nan 8.280 nan 0.000 0.508 755 M N -0.986 118.563 119.600 -0.085 0.000 2.229 755 M HA -0.133 4.348 4.480 0.001 0.000 0.264 755 M C 2.394 178.826 176.300 0.220 0.000 1.063 755 M CA 1.313 56.577 55.300 -0.059 0.000 1.114 755 M CB 0.136 32.485 32.600 -0.418 0.000 1.387 755 M HN 0.180 nan 8.290 nan 0.000 0.420 756 S N -0.612 115.227 115.700 0.232 0.000 2.356 756 S HA -0.149 4.322 4.470 0.001 0.000 0.223 756 S C 1.708 176.410 174.600 0.170 0.000 1.032 756 S CA 0.997 59.416 58.200 0.364 0.000 1.005 756 S CB -0.561 62.823 63.200 0.307 0.000 0.867 756 S HN 0.463 nan 8.310 nan 0.000 0.449 757 H N 0.085 119.223 119.070 0.113 0.000 2.319 757 H HA -0.084 4.473 4.556 0.001 0.000 0.297 757 H C 1.986 177.325 175.328 0.018 0.000 1.097 757 H CA 1.419 57.490 56.048 0.038 0.000 1.285 757 H CB -0.837 28.908 29.762 -0.028 0.000 1.368 757 H HN 0.408 nan 8.280 nan 0.000 0.495 758 F N 1.296 121.236 119.950 -0.016 0.000 2.095 758 F HA -0.212 4.316 4.527 0.001 0.000 0.298 758 F C 2.352 178.101 175.800 -0.084 0.000 1.104 758 F CA 1.017 58.972 58.000 -0.075 0.000 1.232 758 F CB -0.328 38.602 39.000 -0.117 0.000 0.987 758 F HN -0.021 nan 8.300 nan 0.000 0.475 759 I N 0.386 120.932 120.570 -0.040 0.000 2.202 759 I HA -0.265 3.906 4.170 0.001 0.000 0.242 759 I C 2.266 178.160 176.117 -0.372 0.000 1.091 759 I CA 1.447 62.550 61.300 -0.328 0.000 1.368 759 I CB -1.365 36.525 38.000 -0.183 0.000 1.058 759 I HN 0.190 nan 8.210 nan 0.000 0.410 760 K N 0.334 120.679 120.400 -0.091 0.000 2.032 760 K HA -0.238 4.083 4.320 0.001 0.000 0.209 760 K C 2.144 178.730 176.600 -0.023 0.000 1.048 760 K CA 1.360 57.656 56.287 0.014 0.000 0.927 760 K CB -0.294 32.266 32.500 0.100 0.000 0.712 760 K HN 0.307 nan 8.250 nan 0.000 0.441 761 Q N 1.317 121.067 119.800 -0.082 0.000 2.096 761 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 761 Q C 2.270 178.172 176.000 -0.163 0.000 0.982 761 Q CA 1.927 57.667 55.803 -0.105 0.000 0.850 761 Q CB -0.681 27.981 28.738 -0.127 0.000 0.901 761 Q HN 0.444 nan 8.270 nan 0.000 0.422 762 c N 0.216 118.605 118.600 -0.351 0.000 2.425 762 c HA -0.091 4.480 4.570 0.001 0.000 0.277 762 c C 2.166 176.251 174.090 -0.009 0.000 1.280 762 c CA 0.489 56.623 56.329 -0.325 0.000 1.744 762 c CB -1.362 40.781 42.510 -0.612 0.000 1.989 762 c HN 0.533 nan 8.230 nan 0.000 0.491 763 F N 1.525 121.432 119.950 -0.071 0.000 2.765 763 F HA 0.260 4.788 4.527 0.001 0.000 0.302 763 F C 1.628 177.413 175.800 -0.026 0.000 1.111 763 F CA 0.390 58.371 58.000 -0.033 0.000 1.359 763 F CB -1.154 37.835 39.000 -0.019 0.000 1.097 763 F HN 0.199 nan 8.300 nan 0.000 0.577 764 S N 0.955 116.737 115.700 0.137 0.000 3.749 764 S HA -0.184 4.287 4.470 0.001 0.000 0.348 764 S C -0.141 174.506 174.600 0.078 0.000 1.045 764 S CA 0.081 58.327 58.200 0.076 0.000 1.051 764 S CB -2.083 61.150 63.200 0.056 0.000 0.898 764 S HN 0.234 nan 8.310 nan 0.000 0.472 765 L N 0.793 122.075 121.223 0.097 0.000 2.307 765 L HA 0.505 4.846 4.340 0.001 0.000 0.284 765 L C -1.559 175.357 176.870 0.076 0.000 1.023 765 L CA -2.183 52.711 54.840 0.090 0.000 0.810 765 L CB 0.774 42.907 42.059 0.123 0.000 1.231 765 L HN 0.015 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.138 63.100 0.063 0.000 0.800 766 P CB 0.000 31.730 31.700 0.051 0.000 0.726