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 2i03_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.650 174.600 0.084 0.000 1.055 39 S CA 0.000 58.251 58.200 0.085 0.000 1.107 39 S CB 0.000 63.286 63.200 0.144 0.000 0.593 40 R N 2.401 122.954 120.500 0.089 0.000 2.234 40 R HA 0.403 4.743 4.340 -0.001 0.000 0.102 40 R C 0.659 177.017 176.300 0.097 0.000 0.560 40 R CA -0.024 56.127 56.100 0.084 0.000 1.847 40 R CB -0.604 29.745 30.300 0.082 0.000 0.534 40 R HN 0.622 nan 8.270 nan 0.000 0.684 41 K N -0.051 120.413 120.400 0.108 0.000 2.416 41 K HA 0.383 4.703 4.320 -0.001 0.000 0.244 41 K C -0.347 176.339 176.600 0.143 0.000 1.044 41 K CA -0.490 55.870 56.287 0.122 0.000 0.972 41 K CB 0.913 33.489 32.500 0.127 0.000 1.286 41 K HN 0.762 nan 8.250 nan 0.000 0.500 42 T N -3.073 111.578 114.554 0.162 0.000 2.905 42 T HA 0.286 4.636 4.350 -0.001 0.000 0.283 42 T C -0.758 174.109 174.700 0.278 0.000 1.031 42 T CA -0.705 61.512 62.100 0.194 0.000 1.002 42 T CB 0.500 69.472 68.868 0.173 0.000 1.200 42 T HN 0.451 nan 8.240 nan 0.000 0.560 43 Y N 2.765 123.172 120.300 0.179 0.000 2.556 43 Y HA 0.384 4.933 4.550 -0.001 0.000 0.352 43 Y C 0.974 177.049 175.900 0.291 0.000 1.006 43 Y CA -0.521 57.728 58.100 0.249 0.000 1.277 43 Y CB -0.416 38.161 38.460 0.195 0.000 1.136 43 Y HN 0.990 nan 8.280 nan 0.000 0.523 44 T N 2.120 116.659 114.554 -0.026 0.000 2.788 44 T HA 0.107 4.456 4.350 -0.001 0.000 0.280 44 T C 1.044 175.573 174.700 -0.286 0.000 0.984 44 T CA -0.674 61.417 62.100 -0.016 0.000 0.972 44 T CB 1.088 69.928 68.868 -0.046 0.000 1.039 44 T HN 0.649 nan 8.240 nan 0.000 0.530 45 L N 0.871 121.751 121.223 -0.571 0.000 2.093 45 L HA 0.044 4.383 4.340 -0.001 0.000 0.208 45 L C 2.583 179.271 176.870 -0.303 0.000 1.085 45 L CA 2.042 56.447 54.840 -0.725 0.000 0.755 45 L CB -1.531 39.961 42.059 -0.945 0.000 0.904 45 L HN 0.946 nan 8.230 nan 0.000 0.435 46 T N -0.515 113.888 114.554 -0.251 0.000 2.788 46 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 46 T C 1.484 176.063 174.700 -0.202 0.000 1.044 46 T CA 1.403 63.395 62.100 -0.182 0.000 1.139 46 T CB -0.358 68.429 68.868 -0.136 0.000 0.867 46 T HN 0.395 nan 8.240 nan 0.000 0.454 47 D N 0.192 120.425 120.400 -0.278 0.000 2.123 47 D HA -0.094 4.545 4.640 -0.001 0.000 0.196 47 D C 1.751 177.910 176.300 -0.236 0.000 0.992 47 D CA 1.057 54.846 54.000 -0.351 0.000 0.833 47 D CB -0.338 40.109 40.800 -0.588 0.000 0.954 47 D HN 0.424 nan 8.370 nan 0.000 0.455 48 Y N 1.470 121.546 120.300 -0.374 0.000 2.163 48 Y HA -0.081 4.469 4.550 -0.001 0.000 0.288 48 Y C 2.174 178.061 175.900 -0.021 0.000 1.136 48 Y CA 1.169 59.225 58.100 -0.073 0.000 1.147 48 Y CB -0.563 37.903 38.460 0.009 0.000 0.987 48 Y HN -0.105 nan 8.280 nan 0.000 0.509 49 L N -0.075 120.948 121.223 -0.333 0.000 2.109 49 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 49 L C 1.888 178.636 176.870 -0.203 0.000 1.086 49 L CA 1.219 55.844 54.840 -0.358 0.000 0.760 49 L CB -0.414 41.514 42.059 -0.218 0.000 0.910 49 L HN 0.040 nan 8.230 nan 0.000 0.437 50 K N -0.005 120.301 120.400 -0.156 0.000 2.374 50 K HA 0.051 4.370 4.320 -0.001 0.000 0.196 50 K C 0.044 176.589 176.600 -0.093 0.000 1.023 50 K CA -0.095 56.126 56.287 -0.110 0.000 1.103 50 K CB -0.431 32.007 32.500 -0.104 0.000 0.848 50 K HN 0.279 nan 8.250 nan 0.000 0.528 51 N N 1.762 120.410 118.700 -0.086 0.000 2.705 51 N HA -0.227 4.512 4.740 -0.001 0.000 0.255 51 N C 0.569 176.065 175.510 -0.024 0.000 1.008 51 N CA 0.392 53.435 53.050 -0.011 0.000 0.742 51 N CB -0.296 38.187 38.487 -0.008 0.000 0.906 51 N HN 0.347 nan 8.380 nan 0.000 0.541 52 T N -2.607 111.879 114.554 -0.114 0.000 2.867 52 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 52 T C 0.612 175.183 174.700 -0.215 0.000 1.057 52 T CA 1.061 63.014 62.100 -0.245 0.000 1.136 52 T CB -0.118 68.467 68.868 -0.472 0.000 0.874 52 T HN 0.335 nan 8.240 nan 0.000 0.466 53 Y N 2.271 122.674 120.300 0.171 0.000 2.880 53 Y HA 0.632 5.181 4.550 -0.001 0.000 0.329 53 Y C 0.549 176.553 175.900 0.173 0.000 1.156 53 Y CA -2.069 56.148 58.100 0.194 0.000 1.348 53 Y CB -0.007 38.625 38.460 0.288 0.000 1.280 53 Y HN 0.019 nan 8.280 nan 0.000 0.516 54 R N 2.032 122.681 120.500 0.248 0.000 2.491 54 R HA 0.341 4.680 4.340 -0.001 0.000 0.283 54 R C -0.836 175.574 176.300 0.183 0.000 1.072 54 R CA -0.042 56.165 56.100 0.179 0.000 1.048 54 R CB 0.287 30.656 30.300 0.115 0.000 0.983 54 R HN 0.654 nan 8.270 nan 0.000 0.450 55 L N 4.266 125.593 121.223 0.174 0.000 2.312 55 L HA 0.340 4.679 4.340 -0.001 0.000 0.281 55 L C 0.234 177.186 176.870 0.138 0.000 1.070 55 L CA -0.288 54.659 54.840 0.177 0.000 0.805 55 L CB 1.236 43.417 42.059 0.204 0.000 1.174 55 L HN 0.558 nan 8.230 nan 0.000 0.434 56 K N 3.890 124.371 120.400 0.135 0.000 2.110 56 K HA 0.668 4.987 4.320 -0.001 0.000 0.263 56 K C -0.985 175.667 176.600 0.086 0.000 0.975 56 K CA -0.526 55.819 56.287 0.095 0.000 0.895 56 K CB 1.576 34.129 32.500 0.087 0.000 1.060 56 K HN 0.399 nan 8.250 nan 0.000 0.448 57 L N 1.357 122.557 121.223 -0.039 0.000 2.283 57 L HA 0.458 4.797 4.340 -0.001 0.000 0.259 57 L C -1.083 175.561 176.870 -0.376 0.000 1.027 57 L CA -1.076 53.608 54.840 -0.260 0.000 0.828 57 L CB 1.231 43.235 42.059 -0.092 0.000 1.380 57 L HN 0.563 nan 8.230 nan 0.000 0.425 58 Y N 0.448 120.249 120.300 -0.831 0.000 2.592 58 Y HA 0.344 4.894 4.550 -0.001 0.000 0.354 58 Y C -0.509 175.253 175.900 -0.230 0.000 1.063 58 Y CA -0.561 57.292 58.100 -0.411 0.000 1.205 58 Y CB 1.161 39.239 38.460 -0.636 0.000 1.106 58 Y HN 0.434 nan 8.280 nan 0.000 0.649 59 S N 5.369 121.008 115.700 -0.101 0.000 2.405 59 S HA 0.445 4.914 4.470 -0.001 0.000 0.291 59 S C -0.568 173.981 174.600 -0.085 0.000 1.137 59 S CA -0.419 57.734 58.200 -0.078 0.000 1.061 59 S CB -0.380 62.760 63.200 -0.101 0.000 1.001 59 S HN 0.542 nan 8.310 nan 0.000 0.507 60 L N 1.427 122.587 121.223 -0.104 0.000 2.319 60 L HA 0.797 5.136 4.340 -0.001 0.000 0.267 60 L C -0.209 176.533 176.870 -0.212 0.000 1.011 60 L CA -0.855 53.867 54.840 -0.196 0.000 0.818 60 L CB 0.899 42.550 42.059 -0.679 0.000 1.316 60 L HN 0.266 nan 8.230 nan 0.000 0.432 61 R N 1.157 121.576 120.500 -0.135 0.000 2.473 61 R HA 0.309 4.648 4.340 -0.001 0.000 0.303 61 R C -1.871 174.447 176.300 0.030 0.000 1.002 61 R CA -0.489 55.587 56.100 -0.040 0.000 0.884 61 R CB 0.965 31.277 30.300 0.020 0.000 1.173 61 R HN 0.871 nan 8.270 nan 0.000 0.464 62 W N 5.879 127.286 121.300 0.178 0.000 2.469 62 W HA 0.102 4.761 4.660 -0.001 0.000 0.321 62 W C 1.818 178.430 176.519 0.156 0.000 1.415 62 W CA -0.411 57.057 57.345 0.206 0.000 1.308 62 W CB 0.436 30.010 29.460 0.189 0.000 1.368 62 W HN 0.581 nan 8.180 nan 0.000 0.546 63 I N 0.493 121.292 120.570 0.383 0.000 3.783 63 I HA 0.195 4.364 4.170 -0.001 0.000 0.310 63 I C 0.899 177.167 176.117 0.251 0.000 1.274 63 I CA 0.121 61.561 61.300 0.232 0.000 1.294 63 I CB -0.182 37.888 38.000 0.116 0.000 1.051 63 I HN 0.286 nan 8.210 nan 0.000 0.435 64 S N -0.260 115.643 115.700 0.338 0.000 3.070 64 S HA 0.289 4.758 4.470 -0.001 0.000 0.320 64 S C -0.054 174.691 174.600 0.240 0.000 1.215 64 S CA -0.103 58.274 58.200 0.294 0.000 0.956 64 S CB 1.382 64.799 63.200 0.361 0.000 1.337 64 S HN 0.089 nan 8.310 nan 0.000 0.639 65 D N -0.883 119.584 120.400 0.112 0.000 2.360 65 D HA 0.264 4.903 4.640 -0.001 0.000 0.210 65 D C 0.792 176.930 176.300 -0.271 0.000 1.047 65 D CA 0.733 54.595 54.000 -0.231 0.000 0.854 65 D CB 0.036 40.571 40.800 -0.442 0.000 0.936 65 D HN 0.614 nan 8.370 nan 0.000 0.514 66 H N -1.682 117.566 119.070 0.297 0.000 3.457 66 H HA 0.460 5.015 4.556 -0.001 0.000 0.255 66 H C -0.059 175.459 175.328 0.316 0.000 1.082 66 H CA -0.240 56.016 56.048 0.346 0.000 1.189 66 H CB 0.559 30.470 29.762 0.248 0.000 1.511 66 H HN -0.005 nan 8.280 nan 0.000 0.527 67 E N 0.450 120.954 120.200 0.506 0.000 2.392 67 E HA 0.463 4.812 4.350 -0.001 0.000 0.269 67 E C -1.405 175.482 176.600 0.479 0.000 0.924 67 E CA -1.340 55.274 56.400 0.356 0.000 0.784 67 E CB 2.876 32.697 29.700 0.201 0.000 1.292 67 E HN 0.205 nan 8.360 nan 0.000 0.447 68 Y N -1.418 118.985 120.300 0.172 0.000 2.625 68 Y HA 0.624 5.173 4.550 -0.001 0.000 0.338 68 Y C -1.798 174.111 175.900 0.014 0.000 1.123 68 Y CA -1.354 56.723 58.100 -0.039 0.000 1.046 68 Y CB 0.867 38.954 38.460 -0.622 0.000 1.299 68 Y HN 0.341 nan 8.280 nan 0.000 0.464 69 L N 2.794 124.145 121.223 0.213 0.000 2.317 69 L HA 0.449 4.789 4.340 -0.001 0.000 0.281 69 L C -1.462 175.572 176.870 0.273 0.000 1.024 69 L CA -0.985 53.926 54.840 0.118 0.000 0.810 69 L CB 1.677 43.663 42.059 -0.123 0.000 1.240 69 L HN 0.781 nan 8.230 nan 0.000 0.427 70 Y N 3.631 124.019 120.300 0.146 0.000 2.363 70 Y HA 0.357 4.906 4.550 -0.001 0.000 0.325 70 Y C -0.439 175.436 175.900 -0.042 0.000 0.984 70 Y CA -0.970 57.146 58.100 0.026 0.000 1.248 70 Y CB 0.947 39.459 38.460 0.085 0.000 1.116 70 Y HN 0.448 nan 8.280 nan 0.000 0.470 71 K N 4.781 124.862 120.400 -0.533 0.000 2.126 71 K HA 0.373 4.692 4.320 -0.001 0.000 0.257 71 K C -0.575 175.645 176.600 -0.633 0.000 1.007 71 K CA -0.593 55.413 56.287 -0.468 0.000 0.928 71 K CB 1.045 33.317 32.500 -0.379 0.000 1.013 71 K HN 0.695 nan 8.250 nan 0.000 0.473 72 Q N 0.428 120.016 119.800 -0.352 0.000 2.528 72 Q HA 0.093 4.432 4.340 -0.001 0.000 0.289 72 Q C 0.308 176.207 176.000 -0.169 0.000 1.091 72 Q CA -0.665 54.984 55.803 -0.255 0.000 0.797 72 Q CB 1.695 30.364 28.738 -0.114 0.000 1.466 72 Q HN 0.631 nan 8.270 nan 0.000 0.436 73 E N 0.209 120.343 120.200 -0.109 0.000 2.333 73 E HA -0.231 4.118 4.350 -0.001 0.000 0.200 73 E C 0.343 176.918 176.600 -0.043 0.000 1.010 73 E CA 1.200 57.561 56.400 -0.065 0.000 0.841 73 E CB 0.396 30.074 29.700 -0.037 0.000 0.757 73 E HN 0.374 nan 8.360 nan 0.000 0.508 74 N N 0.060 118.730 118.700 -0.050 0.000 2.528 74 N HA 0.002 4.741 4.740 -0.001 0.000 0.208 74 N C 0.119 175.597 175.510 -0.053 0.000 1.218 74 N CA 0.160 53.192 53.050 -0.029 0.000 1.112 74 N CB -0.301 38.176 38.487 -0.017 0.000 1.423 74 N HN 0.091 nan 8.380 nan 0.000 0.497 75 N N 0.640 119.309 118.700 -0.052 0.000 2.476 75 N HA 0.373 5.113 4.740 -0.001 0.000 0.275 75 N C -0.603 174.860 175.510 -0.079 0.000 1.190 75 N CA -0.296 52.719 53.050 -0.058 0.000 0.977 75 N CB 1.101 39.569 38.487 -0.032 0.000 1.200 75 N HN 0.223 nan 8.380 nan 0.000 0.515 76 I N 0.511 121.044 120.570 -0.063 0.000 2.331 76 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 76 I C -0.262 175.881 176.117 0.045 0.000 0.998 76 I CA -0.712 60.556 61.300 -0.053 0.000 1.267 76 I CB 0.600 38.551 38.000 -0.081 0.000 1.386 76 I HN 0.284 nan 8.210 nan 0.000 0.476 77 L N 6.478 127.735 121.223 0.057 0.000 2.334 77 L HA 0.637 4.976 4.340 -0.001 0.000 0.270 77 L C -0.430 176.457 176.870 0.028 0.000 1.018 77 L CA -1.007 53.848 54.840 0.025 0.000 0.811 77 L CB 2.159 44.200 42.059 -0.029 0.000 1.271 77 L HN 0.301 nan 8.230 nan 0.000 0.443 78 V N 1.696 121.549 119.914 -0.101 0.000 2.487 78 V HA 0.504 4.623 4.120 -0.001 0.000 0.298 78 V C -0.997 174.898 176.094 -0.331 0.000 1.028 78 V CA -0.236 62.011 62.300 -0.088 0.000 0.860 78 V CB 1.418 33.286 31.823 0.076 0.000 0.991 78 V HN 0.445 nan 8.190 nan 0.000 0.427 79 F N 4.975 124.666 119.950 -0.432 0.000 2.470 79 F HA 0.515 5.042 4.527 -0.001 0.000 0.329 79 F C 0.617 176.167 175.800 -0.417 0.000 1.072 79 F CA -0.497 57.174 58.000 -0.549 0.000 0.989 79 F CB 1.612 39.954 39.000 -1.096 0.000 1.193 79 F HN 0.476 nan 8.300 nan 0.000 0.481 80 N N 1.864 120.544 118.700 -0.033 0.000 2.527 80 N HA 0.236 4.976 4.740 -0.001 0.000 0.236 80 N C 0.575 176.065 175.510 -0.033 0.000 0.999 80 N CA 0.086 53.145 53.050 0.016 0.000 0.935 80 N CB 1.560 40.101 38.487 0.091 0.000 1.132 80 N HN 0.813 nan 8.380 nan 0.000 0.511 81 A N 3.534 126.306 122.820 -0.080 0.000 1.940 81 A HA -0.263 4.056 4.320 -0.001 0.000 0.221 81 A C 1.929 179.217 177.584 -0.492 0.000 1.190 81 A CA 2.043 53.918 52.037 -0.270 0.000 0.647 81 A CB -0.466 18.210 19.000 -0.539 0.000 0.821 81 A HN 0.779 nan 8.150 nan 0.000 0.457 82 E N -1.161 118.734 120.200 -0.509 0.000 2.031 82 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 82 E C 1.607 177.876 176.600 -0.552 0.000 0.994 82 E CA 2.009 58.090 56.400 -0.533 0.000 0.800 82 E CB -0.400 28.907 29.700 -0.654 0.000 0.752 82 E HN 0.712 nan 8.360 nan 0.000 0.447 83 Y N -1.881 118.415 120.300 -0.005 0.000 2.479 83 Y HA 0.363 4.912 4.550 -0.001 0.000 0.283 83 Y C 1.855 177.760 175.900 0.008 0.000 1.109 83 Y CA 0.529 58.631 58.100 0.003 0.000 1.239 83 Y CB 0.548 39.013 38.460 0.009 0.000 1.108 83 Y HN 0.256 nan 8.280 nan 0.000 0.548 84 G N 0.246 109.128 108.800 0.137 0.000 2.213 84 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.226 84 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.226 84 G C 0.020 175.048 174.900 0.212 0.000 0.992 84 G CA -0.024 45.178 45.100 0.171 0.000 0.632 84 G HN 0.421 nan 8.290 nan 0.000 0.511 85 N N 1.175 119.952 118.700 0.128 0.000 2.441 85 N HA 0.454 5.193 4.740 -0.001 0.000 0.251 85 N C 0.117 175.545 175.510 -0.135 0.000 1.242 85 N CA 0.935 53.994 53.050 0.015 0.000 0.898 85 N CB 1.314 39.806 38.487 0.008 0.000 1.100 85 N HN 1.042 nan 8.380 nan 0.000 0.443 86 S N -0.186 115.328 115.700 -0.309 0.000 2.661 86 S HA 0.787 5.256 4.470 -0.001 0.000 0.285 86 S C -0.828 173.559 174.600 -0.355 0.000 1.138 86 S CA -0.838 57.002 58.200 -0.598 0.000 0.855 86 S CB 1.651 63.984 63.200 -1.445 0.000 1.136 86 S HN 0.626 nan 8.310 nan 0.000 0.484 87 S N -0.084 115.426 115.700 -0.317 0.000 2.618 87 S HA 0.616 5.085 4.470 -0.001 0.000 0.277 87 S C -0.991 173.526 174.600 -0.137 0.000 1.138 87 S CA -0.759 57.334 58.200 -0.178 0.000 0.844 87 S CB 1.581 64.710 63.200 -0.119 0.000 1.127 87 S HN 0.741 nan 8.310 nan 0.000 0.474 88 V N 2.582 122.443 119.914 -0.089 0.000 2.488 88 V HA 0.192 4.311 4.120 -0.001 0.000 0.277 88 V C 0.477 176.568 176.094 -0.006 0.000 1.046 88 V CA 0.170 62.444 62.300 -0.043 0.000 0.986 88 V CB 0.379 32.170 31.823 -0.053 0.000 0.989 88 V HN 0.931 nan 8.190 nan 0.000 0.475 89 F N 6.237 126.137 119.950 -0.084 0.000 2.219 89 F HA 0.250 4.776 4.527 -0.001 0.000 0.294 89 F C 0.536 176.308 175.800 -0.046 0.000 1.086 89 F CA 0.743 58.706 58.000 -0.061 0.000 1.330 89 F CB 0.538 39.510 39.000 -0.047 0.000 1.047 89 F HN 0.354 nan 8.300 nan 0.000 0.495 90 L N 0.115 121.400 121.223 0.102 0.000 2.641 90 L HA 0.438 4.777 4.340 -0.001 0.000 0.261 90 L C -1.078 175.785 176.870 -0.012 0.000 0.926 90 L CA -0.889 53.960 54.840 0.015 0.000 0.917 90 L CB 0.606 42.739 42.059 0.123 0.000 1.361 90 L HN -0.180 nan 8.230 nan 0.000 0.417 91 E N 2.345 122.504 120.200 -0.069 0.000 2.418 91 E HA 0.155 4.505 4.350 -0.001 0.000 0.261 91 E C 1.447 178.005 176.600 -0.071 0.000 1.070 91 E CA 0.752 57.110 56.400 -0.070 0.000 0.931 91 E CB 0.901 30.550 29.700 -0.086 0.000 0.954 91 E HN 0.758 nan 8.360 nan 0.000 0.439 92 N N 1.205 119.883 118.700 -0.038 0.000 2.084 92 N HA -0.230 4.510 4.740 -0.001 0.000 0.190 92 N C 1.436 176.943 175.510 -0.006 0.000 1.030 92 N CA 1.490 54.541 53.050 0.002 0.000 0.849 92 N CB -0.389 38.101 38.487 0.006 0.000 1.012 92 N HN 0.426 nan 8.380 nan 0.000 0.423 93 S N 0.826 116.500 115.700 -0.042 0.000 2.419 93 S HA -0.157 4.313 4.470 -0.001 0.000 0.235 93 S C 1.882 176.408 174.600 -0.123 0.000 1.019 93 S CA 1.673 59.842 58.200 -0.052 0.000 0.982 93 S CB -1.227 61.942 63.200 -0.052 0.000 0.789 93 S HN 0.353 nan 8.310 nan 0.000 0.490 94 T N 1.628 116.031 114.554 -0.251 0.000 2.701 94 T HA -0.185 4.165 4.350 -0.001 0.000 0.265 94 T C 0.503 174.792 174.700 -0.685 0.000 1.032 94 T CA 1.873 63.642 62.100 -0.551 0.000 1.158 94 T CB -0.611 67.716 68.868 -0.901 0.000 0.854 94 T HN 0.602 nan 8.240 nan 0.000 0.463 95 F N 0.867 120.763 119.950 -0.089 0.000 2.923 95 F HA 0.346 4.873 4.527 -0.001 0.000 0.314 95 F C 1.173 176.977 175.800 0.006 0.000 1.196 95 F CA -1.348 56.603 58.000 -0.082 0.000 1.320 95 F CB 0.015 38.895 39.000 -0.199 0.000 0.953 95 F HN -0.028 nan 8.300 nan 0.000 0.505 96 D N 0.971 121.430 120.400 0.099 0.000 2.117 96 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 96 D C 1.336 177.686 176.300 0.083 0.000 0.987 96 D CA 1.380 55.426 54.000 0.076 0.000 0.829 96 D CB 0.047 40.862 40.800 0.026 0.000 0.961 96 D HN 0.541 nan 8.370 nan 0.000 0.460 97 E N -0.196 120.058 120.200 0.089 0.000 2.511 97 E HA 0.049 4.399 4.350 -0.001 0.000 0.214 97 E C 0.835 177.492 176.600 0.094 0.000 1.062 97 E CA -0.412 56.023 56.400 0.058 0.000 1.213 97 E CB -0.318 29.396 29.700 0.024 0.000 1.214 97 E HN 0.060 nan 8.360 nan 0.000 0.441 98 F N 2.116 122.064 119.950 -0.004 0.000 2.259 98 F HA 0.131 4.657 4.527 -0.001 0.000 0.298 98 F C 1.697 177.410 175.800 -0.145 0.000 1.088 98 F CA 1.811 59.793 58.000 -0.030 0.000 1.358 98 F CB 0.024 38.999 39.000 -0.042 0.000 1.040 98 F HN 0.346 nan 8.300 nan 0.000 0.505 99 G N -0.599 108.053 108.800 -0.248 0.000 2.176 99 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.253 99 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.253 99 G C 0.032 174.500 174.900 -0.719 0.000 0.979 99 G CA 0.317 45.126 45.100 -0.485 0.000 0.641 99 G HN 0.569 nan 8.290 nan 0.000 0.530 100 H N -0.386 118.490 119.070 -0.324 0.000 2.894 100 H HA 0.551 5.106 4.556 -0.001 0.000 0.367 100 H C -0.464 174.873 175.328 0.014 0.000 1.144 100 H CA -0.056 55.845 56.048 -0.245 0.000 1.180 100 H CB 1.703 31.056 29.762 -0.682 0.000 1.758 100 H HN 0.165 nan 8.280 nan 0.000 0.541 101 S N 3.239 119.028 115.700 0.149 0.000 2.443 101 S HA 0.211 4.680 4.470 -0.001 0.000 0.284 101 S C 0.266 174.923 174.600 0.095 0.000 1.206 101 S CA -0.597 57.663 58.200 0.100 0.000 1.074 101 S CB -0.822 62.422 63.200 0.073 0.000 0.963 101 S HN 0.368 nan 8.310 nan 0.000 0.501 102 I N 6.270 126.840 120.570 0.000 0.000 2.312 102 I HA 0.212 4.381 4.170 -0.001 0.000 0.291 102 I C 1.375 177.406 176.117 -0.143 0.000 1.031 102 I CA -0.488 60.726 61.300 -0.142 0.000 1.293 102 I CB 0.838 38.544 38.000 -0.490 0.000 1.403 102 I HN 0.731 nan 8.210 nan 0.000 0.484 103 N N 4.293 122.921 118.700 -0.121 0.000 2.280 103 N HA 0.060 4.800 4.740 -0.001 0.000 0.192 103 N C -0.262 175.176 175.510 -0.120 0.000 1.109 103 N CA 0.144 53.116 53.050 -0.130 0.000 0.855 103 N CB 0.738 39.104 38.487 -0.203 0.000 0.974 103 N HN 0.530 nan 8.380 nan 0.000 0.482 104 D N -0.705 119.616 120.400 -0.132 0.000 2.745 104 D HA 0.253 4.892 4.640 -0.001 0.000 0.221 104 D C -1.582 174.698 176.300 -0.033 0.000 1.237 104 D CA -0.363 53.634 54.000 -0.004 0.000 0.781 104 D CB 1.365 42.169 40.800 0.008 0.000 1.575 104 D HN -0.138 nan 8.370 nan 0.000 0.482 105 Y N 0.140 120.442 120.300 0.004 0.000 2.567 105 Y HA 0.628 5.177 4.550 -0.001 0.000 0.333 105 Y C 0.426 176.391 175.900 0.107 0.000 1.106 105 Y CA -0.872 57.248 58.100 0.034 0.000 1.157 105 Y CB 2.124 40.596 38.460 0.021 0.000 1.277 105 Y HN 0.146 nan 8.280 nan 0.000 0.490 106 S N 1.690 117.606 115.700 0.360 0.000 2.536 106 S HA 0.483 4.952 4.470 -0.001 0.000 0.246 106 S C -1.298 173.568 174.600 0.442 0.000 1.077 106 S CA -0.483 57.938 58.200 0.369 0.000 1.091 106 S CB -0.264 63.162 63.200 0.377 0.000 1.148 106 S HN 0.550 nan 8.310 nan 0.000 0.447 107 I N 4.126 124.829 120.570 0.222 0.000 2.474 107 I HA 0.259 4.429 4.170 -0.001 0.000 0.287 107 I C 1.101 177.076 176.117 -0.236 0.000 1.048 107 I CA -0.381 60.960 61.300 0.067 0.000 1.383 107 I CB 1.493 39.474 38.000 -0.031 0.000 1.412 107 I HN 0.709 nan 8.210 nan 0.000 0.531 108 S N 7.195 122.511 115.700 -0.639 0.000 2.579 108 S HA 0.220 4.689 4.470 -0.001 0.000 0.275 108 S C -1.690 172.646 174.600 -0.440 0.000 1.345 108 S CA -1.054 56.445 58.200 -1.167 0.000 1.031 108 S CB 0.738 63.091 63.200 -1.412 0.000 0.892 108 S HN 0.532 nan 8.310 nan 0.000 0.529 109 P HA 0.144 nan 4.420 nan 0.000 0.263 109 P C -0.202 177.059 177.300 -0.065 0.000 1.386 109 P CA 0.381 63.421 63.100 -0.100 0.000 0.797 109 P CB 0.023 31.698 31.700 -0.042 0.000 1.381 110 D N -0.506 119.832 120.400 -0.104 0.000 2.431 110 D HA 0.131 4.770 4.640 -0.001 0.000 0.227 110 D C 1.812 178.109 176.300 -0.005 0.000 1.030 110 D CA 1.426 55.414 54.000 -0.019 0.000 0.897 110 D CB 0.165 40.985 40.800 0.033 0.000 1.058 110 D HN 0.153 nan 8.370 nan 0.000 0.500 111 G N 0.690 109.485 108.800 -0.008 0.000 2.253 111 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.251 111 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.251 111 G C 1.196 176.134 174.900 0.064 0.000 0.998 111 G CA 0.635 45.831 45.100 0.159 0.000 0.621 111 G HN 0.408 nan 8.290 nan 0.000 0.524 112 Q N -1.033 118.687 119.800 -0.134 0.000 2.172 112 Q HA 0.292 4.632 4.340 -0.001 0.000 0.200 112 Q C 0.300 175.860 176.000 -0.733 0.000 0.964 112 Q CA 0.852 56.381 55.803 -0.458 0.000 0.855 112 Q CB 0.151 28.544 28.738 -0.574 0.000 0.918 112 Q HN 0.568 nan 8.270 nan 0.000 0.444 113 F N -0.785 119.101 119.950 -0.107 0.000 2.603 113 F HA 0.507 5.033 4.527 -0.001 0.000 0.317 113 F C -0.463 175.413 175.800 0.128 0.000 1.066 113 F CA -1.029 56.980 58.000 0.014 0.000 0.941 113 F CB 1.595 40.628 39.000 0.054 0.000 1.291 113 F HN -0.242 nan 8.300 nan 0.000 0.472 114 I N 3.002 123.905 120.570 0.554 0.000 2.447 114 I HA 0.296 4.465 4.170 -0.001 0.000 0.287 114 I C -1.360 175.070 176.117 0.523 0.000 1.023 114 I CA -0.863 60.749 61.300 0.520 0.000 1.083 114 I CB 1.983 40.297 38.000 0.523 0.000 1.245 114 I HN 0.289 nan 8.210 nan 0.000 0.434 115 L N 7.616 129.165 121.223 0.544 0.000 2.290 115 L HA 0.434 4.773 4.340 -0.001 0.000 0.284 115 L C -0.719 176.248 176.870 0.162 0.000 1.078 115 L CA 0.078 55.125 54.840 0.346 0.000 0.815 115 L CB 0.784 43.006 42.059 0.273 0.000 1.162 115 L HN 0.421 nan 8.230 nan 0.000 0.435 116 L N 5.087 126.330 121.223 0.034 0.000 2.280 116 L HA 0.462 4.801 4.340 -0.001 0.000 0.287 116 L C -0.034 176.804 176.870 -0.054 0.000 1.023 116 L CA -0.354 54.358 54.840 -0.212 0.000 0.819 116 L CB 1.409 43.125 42.059 -0.571 0.000 1.212 116 L HN 0.588 nan 8.230 nan 0.000 0.420 117 E N 4.321 124.443 120.200 -0.130 0.000 2.146 117 E HA 0.409 4.758 4.350 -0.001 0.000 0.282 117 E C -1.558 174.953 176.600 -0.148 0.000 0.989 117 E CA -0.482 55.753 56.400 -0.276 0.000 0.799 117 E CB 0.933 30.564 29.700 -0.116 0.000 1.088 117 E HN 0.456 nan 8.360 nan 0.000 0.397 118 Y N 1.717 121.808 120.300 -0.347 0.000 2.728 118 Y HA 0.431 4.981 4.550 -0.001 0.000 0.330 118 Y C -0.174 175.611 175.900 -0.191 0.000 1.234 118 Y CA -1.542 56.440 58.100 -0.196 0.000 1.070 118 Y CB 0.543 38.940 38.460 -0.105 0.000 1.300 118 Y HN 0.491 nan 8.280 nan 0.000 0.467 119 N N -0.229 118.483 118.700 0.021 0.000 2.735 119 N HA -0.293 4.446 4.740 -0.001 0.000 0.248 119 N C -1.048 174.418 175.510 -0.073 0.000 1.083 119 N CA 0.980 53.992 53.050 -0.064 0.000 0.703 119 N CB -1.528 36.818 38.487 -0.235 0.000 1.005 119 N HN 0.855 nan 8.380 nan 0.000 0.550 120 Y N 0.179 120.397 120.300 -0.137 0.000 2.620 120 Y HA 0.294 4.844 4.550 -0.001 0.000 0.330 120 Y C 0.059 175.914 175.900 -0.076 0.000 1.186 120 Y CA 0.063 58.080 58.100 -0.138 0.000 1.467 120 Y CB 0.733 39.074 38.460 -0.199 0.000 1.262 120 Y HN -0.013 nan 8.280 nan 0.000 0.550 121 V N 7.926 127.421 119.914 -0.697 0.000 2.488 121 V HA 0.206 4.325 4.120 -0.001 0.000 0.293 121 V C -0.357 175.317 176.094 -0.700 0.000 1.027 121 V CA -1.413 60.547 62.300 -0.567 0.000 0.862 121 V CB 1.337 33.005 31.823 -0.258 0.000 1.008 121 V HN 0.770 nan 8.190 nan 0.000 0.428 122 K N 3.707 123.682 120.400 -0.709 0.000 2.295 122 K HA 0.320 4.639 4.320 -0.001 0.000 0.270 122 K C 0.294 176.746 176.600 -0.247 0.000 1.011 122 K CA 0.136 56.203 56.287 -0.366 0.000 0.953 122 K CB 1.362 33.817 32.500 -0.075 0.000 0.956 122 K HN 0.817 nan 8.250 nan 0.000 0.477 123 Q N 2.556 122.209 119.800 -0.245 0.000 2.489 123 Q HA 0.204 4.543 4.340 -0.001 0.000 0.202 123 Q C -0.243 175.602 176.000 -0.260 0.000 0.853 123 Q CA -0.535 54.936 55.803 -0.553 0.000 0.539 123 Q CB 0.249 28.467 28.738 -0.867 0.000 3.308 123 Q HN 0.724 nan 8.270 nan 0.000 0.362 124 W N 0.454 121.782 121.300 0.045 0.000 2.048 124 W HA 0.408 5.067 4.660 -0.001 0.000 0.572 124 W C 1.684 178.220 176.519 0.029 0.000 1.941 124 W CA -0.802 56.602 57.345 0.099 0.000 2.181 124 W CB 0.031 29.532 29.460 0.069 0.000 2.444 124 W HN 0.355 nan 8.180 nan 0.000 0.765 125 R N -0.537 120.104 120.500 0.235 0.000 2.091 125 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 125 R C 1.684 177.845 176.300 -0.232 0.000 1.136 125 R CA 1.877 57.926 56.100 -0.084 0.000 0.959 125 R CB -0.370 29.733 30.300 -0.328 0.000 0.856 125 R HN 0.518 nan 8.270 nan 0.000 0.437 126 H N -1.515 117.655 119.070 0.168 0.000 2.927 126 H HA 0.143 4.698 4.556 -0.001 0.000 0.255 126 H C 0.680 176.111 175.328 0.172 0.000 0.974 126 H CA 0.480 56.642 56.048 0.190 0.000 1.199 126 H CB 0.254 30.100 29.762 0.140 0.000 1.447 126 H HN 0.147 nan 8.280 nan 0.000 0.467 127 S N 1.300 117.010 115.700 0.018 0.000 2.585 127 S HA 0.357 4.827 4.470 -0.001 0.000 0.273 127 S C -0.319 174.151 174.600 -0.217 0.000 1.339 127 S CA -0.409 57.475 58.200 -0.526 0.000 1.028 127 S CB 0.695 63.060 63.200 -1.392 0.000 0.906 127 S HN 0.446 nan 8.310 nan 0.000 0.528 128 Y N -2.388 117.777 120.300 -0.225 0.000 2.765 128 Y HA 0.593 5.142 4.550 -0.001 0.000 0.350 128 Y C -0.908 174.997 175.900 0.009 0.000 1.196 128 Y CA -0.827 57.170 58.100 -0.170 0.000 1.119 128 Y CB 0.357 38.736 38.460 -0.135 0.000 1.368 128 Y HN 0.929 nan 8.280 nan 0.000 0.463 129 T N 0.159 114.802 114.554 0.149 0.000 2.932 129 T HA 1.037 5.386 4.350 -0.001 0.000 0.289 129 T C -0.406 174.388 174.700 0.158 0.000 1.039 129 T CA -0.049 62.143 62.100 0.153 0.000 1.024 129 T CB 1.786 70.678 68.868 0.040 0.000 1.090 129 T HN 1.982 nan 8.240 nan 0.000 0.496 130 A N 1.070 123.951 122.820 0.101 0.000 2.536 130 A HA 0.785 5.104 4.320 -0.001 0.000 0.293 130 A C -0.689 176.656 177.584 -0.397 0.000 1.119 130 A CA -1.004 50.932 52.037 -0.169 0.000 0.654 130 A CB 0.884 19.757 19.000 -0.211 0.000 1.291 130 A HN 0.881 nan 8.150 nan 0.000 0.439 131 S N -0.776 114.435 115.700 -0.815 0.000 2.593 131 S HA 0.800 5.269 4.470 -0.001 0.000 0.297 131 S C -1.598 172.286 174.600 -1.193 0.000 1.112 131 S CA -0.076 57.550 58.200 -0.957 0.000 1.043 131 S CB 0.739 63.071 63.200 -1.446 0.000 1.054 131 S HN 0.446 nan 8.310 nan 0.000 0.516 132 Y N 0.204 120.246 120.300 -0.430 0.000 2.457 132 Y HA 0.454 5.003 4.550 -0.001 0.000 0.343 132 Y C -0.325 175.557 175.900 -0.030 0.000 0.994 132 Y CA -0.876 57.101 58.100 -0.204 0.000 1.031 132 Y CB 1.763 40.071 38.460 -0.254 0.000 1.246 132 Y HN 0.505 nan 8.280 nan 0.000 0.449 133 D N 2.967 123.525 120.400 0.263 0.000 2.619 133 D HA 0.538 5.177 4.640 -0.001 0.000 0.241 133 D C -0.794 175.615 176.300 0.181 0.000 1.087 133 D CA -0.311 53.839 54.000 0.250 0.000 0.851 133 D CB 2.701 43.753 40.800 0.420 0.000 1.474 133 D HN 0.416 nan 8.370 nan 0.000 0.478 134 I N 1.564 122.245 120.570 0.185 0.000 2.498 134 I HA 0.279 4.448 4.170 -0.001 0.000 0.301 134 I C -0.885 175.457 176.117 0.374 0.000 0.984 134 I CA -0.914 60.538 61.300 0.253 0.000 1.204 134 I CB 1.437 39.538 38.000 0.168 0.000 1.362 134 I HN 0.246 nan 8.210 nan 0.000 0.471 135 Y N 4.535 125.024 120.300 0.316 0.000 2.338 135 Y HA 0.274 4.823 4.550 -0.001 0.000 0.333 135 Y C -0.478 175.662 175.900 0.400 0.000 0.968 135 Y CA -1.062 57.238 58.100 0.333 0.000 1.123 135 Y CB 1.236 39.918 38.460 0.369 0.000 1.165 135 Y HN 0.476 nan 8.280 nan 0.000 0.452 136 D N 6.745 127.087 120.400 -0.096 0.000 2.402 136 D HA 0.086 4.725 4.640 -0.001 0.000 0.235 136 D C 0.783 176.758 176.300 -0.542 0.000 1.226 136 D CA 0.307 54.200 54.000 -0.178 0.000 0.918 136 D CB 0.728 41.519 40.800 -0.015 0.000 1.043 136 D HN 0.888 nan 8.370 nan 0.000 0.506 137 L N 3.426 124.383 121.223 -0.444 0.000 2.275 137 L HA -0.152 4.187 4.340 -0.001 0.000 0.215 137 L C 2.056 178.718 176.870 -0.346 0.000 1.119 137 L CA 0.363 55.012 54.840 -0.318 0.000 0.790 137 L CB -0.223 41.730 42.059 -0.176 0.000 0.919 137 L HN 0.352 nan 8.230 nan 0.000 0.443 138 N N 1.294 119.737 118.700 -0.428 0.000 2.039 138 N HA -0.173 4.567 4.740 -0.001 0.000 0.193 138 N C 1.405 176.773 175.510 -0.236 0.000 1.044 138 N CA 1.505 54.362 53.050 -0.323 0.000 0.847 138 N CB -0.170 38.112 38.487 -0.342 0.000 1.030 138 N HN 0.477 nan 8.380 nan 0.000 0.422 139 K N 0.916 121.178 120.400 -0.230 0.000 2.387 139 K HA 0.274 4.593 4.320 -0.001 0.000 0.198 139 K C -0.286 176.203 176.600 -0.185 0.000 1.022 139 K CA -0.227 55.962 56.287 -0.164 0.000 1.128 139 K CB 0.428 32.860 32.500 -0.113 0.000 0.853 139 K HN 0.034 nan 8.250 nan 0.000 0.523 140 R N 1.013 121.341 120.500 -0.287 0.000 3.333 140 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 140 R C -0.700 175.424 176.300 -0.293 0.000 1.010 140 R CA 0.525 56.434 56.100 -0.319 0.000 0.680 140 R CB -2.041 28.204 30.300 -0.093 0.000 1.102 140 R HN 0.390 nan 8.270 nan 0.000 0.440 141 Q N 0.273 119.823 119.800 -0.417 0.000 2.387 141 Q HA 0.590 4.929 4.340 -0.001 0.000 0.273 141 Q C -0.858 175.070 176.000 -0.121 0.000 1.089 141 Q CA -0.751 54.965 55.803 -0.146 0.000 0.824 141 Q CB 1.760 30.460 28.738 -0.063 0.000 1.367 141 Q HN 0.323 nan 8.270 nan 0.000 0.443 142 L N 3.969 125.314 121.223 0.204 0.000 2.265 142 L HA 0.446 4.785 4.340 -0.001 0.000 0.288 142 L C -0.543 176.456 176.870 0.216 0.000 1.058 142 L CA -0.566 54.499 54.840 0.374 0.000 0.809 142 L CB 0.699 43.030 42.059 0.454 0.000 1.179 142 L HN 0.678 nan 8.230 nan 0.000 0.429 143 I N 3.570 124.262 120.570 0.203 0.000 2.598 143 I HA -0.036 4.134 4.170 -0.001 0.000 0.284 143 I C 1.265 177.450 176.117 0.114 0.000 1.140 143 I CA 0.357 61.737 61.300 0.133 0.000 1.420 143 I CB 1.089 39.159 38.000 0.116 0.000 1.387 143 I HN 0.682 nan 8.210 nan 0.000 0.553 144 T N 0.872 115.471 114.554 0.076 0.000 3.003 144 T HA 0.125 4.475 4.350 -0.001 0.000 0.261 144 T C 0.387 175.100 174.700 0.021 0.000 1.003 144 T CA -0.469 61.664 62.100 0.055 0.000 0.917 144 T CB 0.098 68.998 68.868 0.053 0.000 1.084 144 T HN 0.600 nan 8.240 nan 0.000 0.522 145 E N 1.934 122.142 120.200 0.013 0.000 2.231 145 E HA 0.257 4.606 4.350 -0.001 0.000 0.277 145 E C -0.563 176.019 176.600 -0.030 0.000 0.999 145 E CA -0.598 55.796 56.400 -0.009 0.000 0.827 145 E CB 0.833 30.531 29.700 -0.004 0.000 1.101 145 E HN 0.133 nan 8.360 nan 0.000 0.393 146 E N 0.655 120.824 120.200 -0.051 0.000 2.269 146 E HA -0.255 4.094 4.350 -0.001 0.000 0.223 146 E C 0.015 176.554 176.600 -0.102 0.000 1.244 146 E CA 0.963 57.316 56.400 -0.078 0.000 0.713 146 E CB -1.581 28.080 29.700 -0.066 0.000 1.178 146 E HN 0.737 nan 8.360 nan 0.000 0.370 147 R N -0.530 119.904 120.500 -0.109 0.000 2.637 147 R HA 0.486 4.825 4.340 -0.001 0.000 0.269 147 R C 0.801 176.944 176.300 -0.261 0.000 1.089 147 R CA -0.663 55.354 56.100 -0.138 0.000 1.177 147 R CB 0.571 30.825 30.300 -0.075 0.000 1.091 147 R HN 0.030 nan 8.270 nan 0.000 0.540 148 I N 3.119 123.481 120.570 -0.347 0.000 2.683 148 I HA 0.024 4.193 4.170 -0.001 0.000 0.286 148 I C -1.402 174.414 176.117 -0.501 0.000 1.175 148 I CA -1.468 59.455 61.300 -0.628 0.000 1.429 148 I CB 0.338 37.945 38.000 -0.655 0.000 1.371 148 I HN 0.582 nan 8.210 nan 0.000 0.569 149 P HA 0.013 nan 4.420 nan 0.000 0.270 149 P C -0.845 176.263 177.300 -0.321 0.000 1.223 149 P CA -0.264 62.483 63.100 -0.589 0.000 0.785 149 P CB 0.512 31.491 31.700 -1.201 0.000 0.923 150 N N 1.956 120.547 118.700 -0.181 0.000 2.467 150 N HA 0.030 4.769 4.740 -0.001 0.000 0.262 150 N C 0.674 176.255 175.510 0.118 0.000 1.234 150 N CA 0.121 53.126 53.050 -0.074 0.000 0.952 150 N CB -0.324 38.126 38.487 -0.061 0.000 1.158 150 N HN 0.443 nan 8.380 nan 0.000 0.463 151 N N -1.059 117.688 118.700 0.079 0.000 2.818 151 N HA -0.148 4.591 4.740 -0.001 0.000 0.250 151 N C -0.862 174.807 175.510 0.265 0.000 1.108 151 N CA 0.621 53.756 53.050 0.142 0.000 0.745 151 N CB -1.694 36.884 38.487 0.152 0.000 1.104 151 N HN 0.471 nan 8.380 nan 0.000 0.557 152 T N 0.987 115.705 114.554 0.273 0.000 2.901 152 T HA 0.118 4.467 4.350 -0.001 0.000 0.301 152 T C 1.715 176.581 174.700 0.278 0.000 1.012 152 T CA 0.081 62.376 62.100 0.325 0.000 1.135 152 T CB 1.217 70.203 68.868 0.197 0.000 0.936 152 T HN 0.155 nan 8.240 nan 0.000 0.539 153 Q N 1.676 121.627 119.800 0.252 0.000 2.354 153 Q HA 0.144 4.484 4.340 -0.001 0.000 0.203 153 Q C 0.142 176.324 176.000 0.304 0.000 0.933 153 Q CA 0.362 56.330 55.803 0.274 0.000 0.901 153 Q CB 0.722 29.561 28.738 0.168 0.000 1.007 153 Q HN 0.704 nan 8.270 nan 0.000 0.495 154 W N -0.463 120.812 121.300 -0.042 0.000 3.499 154 W HA 0.385 5.044 4.660 -0.001 0.000 0.288 154 W C -2.450 173.973 176.519 -0.161 0.000 1.258 154 W CA -0.586 56.682 57.345 -0.130 0.000 1.203 154 W CB 0.881 30.207 29.460 -0.223 0.000 1.325 154 W HN -0.355 nan 8.180 nan 0.000 0.564 155 V N 3.040 122.200 119.914 -1.256 0.000 2.932 155 V HA 0.701 4.820 4.120 -0.001 0.000 0.307 155 V C -0.531 174.931 176.094 -1.054 0.000 1.147 155 V CA -0.646 61.075 62.300 -0.965 0.000 0.951 155 V CB 1.633 32.797 31.823 -1.097 0.000 1.031 155 V HN 0.517 nan 8.190 nan 0.000 0.426 156 T N 2.624 116.890 114.554 -0.480 0.000 3.041 156 T HA 0.539 4.888 4.350 -0.001 0.000 0.321 156 T C -1.404 173.308 174.700 0.020 0.000 1.184 156 T CA -0.282 61.723 62.100 -0.158 0.000 1.050 156 T CB 0.853 69.878 68.868 0.261 0.000 1.159 156 T HN 0.535 nan 8.240 nan 0.000 0.469 157 W N 3.035 124.357 121.300 0.036 0.000 2.093 157 W HA 0.455 5.114 4.660 -0.001 0.000 0.352 157 W C 1.330 177.676 176.519 -0.288 0.000 1.294 157 W CA -0.561 56.750 57.345 -0.058 0.000 1.290 157 W CB 0.610 30.048 29.460 -0.036 0.000 1.149 157 W HN 0.796 nan 8.180 nan 0.000 0.606 158 S N 0.872 116.344 115.700 -0.380 0.000 2.608 158 S HA 0.179 4.649 4.470 -0.001 0.000 0.261 158 S C -1.902 172.437 174.600 -0.434 0.000 1.314 158 S CA -0.918 56.554 58.200 -1.213 0.000 0.992 158 S CB 0.770 63.223 63.200 -1.245 0.000 0.935 158 S HN 0.270 nan 8.310 nan 0.000 0.564 159 P HA 0.036 nan 4.420 nan 0.000 0.225 159 P C 1.236 178.501 177.300 -0.060 0.000 1.156 159 P CA 0.670 63.728 63.100 -0.071 0.000 0.787 159 P CB -0.056 31.649 31.700 0.008 0.000 0.802 160 V N -5.418 114.423 119.914 -0.122 0.000 3.029 160 V HA 0.446 4.565 4.120 -0.001 0.000 0.230 160 V C 1.601 177.649 176.094 -0.077 0.000 1.254 160 V CA 0.920 63.177 62.300 -0.072 0.000 1.276 160 V CB -1.030 30.761 31.823 -0.054 0.000 1.080 160 V HN 0.016 nan 8.190 nan 0.000 0.495 161 G N 1.540 110.260 108.800 -0.133 0.000 3.197 161 G HA2 0.198 4.157 3.960 -0.001 0.000 0.167 161 G HA3 0.198 4.157 3.960 -0.001 0.000 0.167 161 G C 0.773 175.647 174.900 -0.043 0.000 1.914 161 G CA 0.717 45.749 45.100 -0.113 0.000 0.956 161 G HN 0.963 nan 8.290 nan 0.000 0.480 162 H N -0.866 118.210 119.070 0.010 0.000 3.038 162 H HA 0.383 4.939 4.556 -0.001 0.000 0.238 162 H C -0.299 175.209 175.328 0.300 0.000 1.246 162 H CA -0.466 55.645 56.048 0.105 0.000 0.966 162 H CB -0.356 29.501 29.762 0.159 0.000 2.394 162 H HN 0.186 nan 8.280 nan 0.000 0.633 163 K N 1.561 121.968 120.400 0.012 0.000 2.202 163 K HA 0.511 4.830 4.320 -0.001 0.000 0.264 163 K C -0.409 176.272 176.600 0.135 0.000 1.010 163 K CA -0.386 55.901 56.287 0.001 0.000 0.940 163 K CB 1.660 34.018 32.500 -0.237 0.000 0.983 163 K HN 0.111 nan 8.250 nan 0.000 0.475 164 L N 1.039 122.351 121.223 0.147 0.000 2.401 164 L HA 0.570 4.909 4.340 -0.001 0.000 0.266 164 L C -1.042 175.993 176.870 0.275 0.000 0.991 164 L CA -0.831 54.051 54.840 0.070 0.000 0.818 164 L CB 2.173 44.115 42.059 -0.195 0.000 1.321 164 L HN 0.710 nan 8.230 nan 0.000 0.413 165 A N 2.629 125.620 122.820 0.284 0.000 2.356 165 A HA 0.827 5.146 4.320 -0.001 0.000 0.310 165 A C -1.608 176.016 177.584 0.067 0.000 1.075 165 A CA -0.375 51.744 52.037 0.138 0.000 0.746 165 A CB 1.169 20.204 19.000 0.058 0.000 1.221 165 A HN 0.646 nan 8.150 nan 0.000 0.443 166 Y N -0.446 119.820 120.300 -0.056 0.000 2.588 166 Y HA 0.782 5.331 4.550 -0.001 0.000 0.343 166 Y C -1.187 174.732 175.900 0.032 0.000 1.065 166 Y CA -1.600 56.445 58.100 -0.091 0.000 1.038 166 Y CB 1.113 39.448 38.460 -0.209 0.000 1.297 166 Y HN 0.415 nan 8.280 nan 0.000 0.467 167 V N 1.799 121.856 119.914 0.237 0.000 2.555 167 V HA 0.427 4.546 4.120 -0.001 0.000 0.302 167 V C -1.474 174.836 176.094 0.360 0.000 1.038 167 V CA -0.703 61.707 62.300 0.182 0.000 0.887 167 V CB 1.510 33.343 31.823 0.016 0.000 0.991 167 V HN 0.896 nan 8.190 nan 0.000 0.434 168 W N 4.649 126.036 121.300 0.146 0.000 3.211 168 W HA 0.466 5.125 4.660 -0.001 0.000 0.335 168 W C 0.237 176.798 176.519 0.069 0.000 1.113 168 W CA -0.619 56.782 57.345 0.093 0.000 1.235 168 W CB 1.234 30.715 29.460 0.035 0.000 1.365 168 W HN 0.782 nan 8.180 nan 0.000 0.476 169 N N 5.599 123.890 118.700 -0.681 0.000 2.735 169 N HA -0.342 4.397 4.740 -0.001 0.000 0.248 169 N C 0.126 175.448 175.510 -0.313 0.000 1.083 169 N CA 1.177 53.825 53.050 -0.671 0.000 0.703 169 N CB -1.094 36.728 38.487 -1.108 0.000 1.005 169 N HN 0.899 nan 8.380 nan 0.000 0.550 170 N N -1.595 116.990 118.700 -0.192 0.000 2.828 170 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 170 N C -1.258 174.165 175.510 -0.145 0.000 1.044 170 N CA 1.054 54.013 53.050 -0.151 0.000 0.851 170 N CB -0.395 37.962 38.487 -0.217 0.000 1.136 170 N HN 0.423 nan 8.380 nan 0.000 0.572 171 D N 0.509 120.845 120.400 -0.107 0.000 2.340 171 D HA 0.501 5.140 4.640 -0.001 0.000 0.240 171 D C 0.179 176.318 176.300 -0.270 0.000 1.001 171 D CA -0.365 53.494 54.000 -0.235 0.000 0.888 171 D CB 1.673 42.303 40.800 -0.283 0.000 1.310 171 D HN 0.021 nan 8.370 nan 0.000 0.474 172 I N 1.537 121.758 120.570 -0.581 0.000 2.385 172 I HA 0.256 4.425 4.170 -0.001 0.000 0.294 172 I C -0.728 174.860 176.117 -0.882 0.000 0.988 172 I CA -0.501 60.438 61.300 -0.602 0.000 1.265 172 I CB 0.634 38.196 38.000 -0.730 0.000 1.388 172 I HN 0.162 nan 8.210 nan 0.000 0.480 173 Y N 4.022 123.930 120.300 -0.654 0.000 2.512 173 Y HA 0.650 5.199 4.550 -0.001 0.000 0.348 173 Y C -0.335 175.217 175.900 -0.579 0.000 0.990 173 Y CA -0.924 56.743 58.100 -0.721 0.000 1.033 173 Y CB 2.086 39.829 38.460 -1.195 0.000 1.259 173 Y HN 0.110 nan 8.280 nan 0.000 0.461 174 V N 2.467 122.301 119.914 -0.133 0.000 2.709 174 V HA 0.471 4.590 4.120 -0.001 0.000 0.308 174 V C -0.876 175.335 176.094 0.195 0.000 1.062 174 V CA -1.393 60.932 62.300 0.043 0.000 0.901 174 V CB 2.139 33.998 31.823 0.060 0.000 1.003 174 V HN 0.615 nan 8.190 nan 0.000 0.425 175 K N 3.245 123.773 120.400 0.213 0.000 2.483 175 K HA 0.465 4.785 4.320 -0.001 0.000 0.256 175 K C 0.120 176.837 176.600 0.194 0.000 0.961 175 K CA -0.654 55.752 56.287 0.199 0.000 0.873 175 K CB 1.802 34.384 32.500 0.136 0.000 1.107 175 K HN 0.470 nan 8.250 nan 0.000 0.432 176 I N 1.525 122.229 120.570 0.224 0.000 2.546 176 I HA -0.109 4.060 4.170 -0.001 0.000 0.255 176 I C 0.342 176.529 176.117 0.117 0.000 1.163 176 I CA 1.359 62.749 61.300 0.150 0.000 1.457 176 I CB 0.098 38.200 38.000 0.171 0.000 1.092 176 I HN 0.482 nan 8.210 nan 0.000 0.434 177 E N -0.932 119.351 120.200 0.140 0.000 2.292 177 E HA 0.275 4.625 4.350 -0.001 0.000 0.272 177 E C -1.935 174.686 176.600 0.034 0.000 0.881 177 E CA -1.840 54.648 56.400 0.146 0.000 0.754 177 E CB 1.579 31.360 29.700 0.136 0.000 1.201 177 E HN -0.206 nan 8.360 nan 0.000 0.425 178 P HA -0.187 nan 4.420 nan 0.000 0.216 178 P C 0.892 178.130 177.300 -0.103 0.000 1.150 178 P CA 1.447 64.427 63.100 -0.199 0.000 0.843 178 P CB 0.319 31.658 31.700 -0.603 0.000 0.787 179 N N -1.578 117.084 118.700 -0.064 0.000 2.353 179 N HA 0.002 4.741 4.740 -0.001 0.000 0.185 179 N C 0.257 175.759 175.510 -0.013 0.000 1.098 179 N CA 0.271 53.309 53.050 -0.019 0.000 0.872 179 N CB -0.347 38.148 38.487 0.013 0.000 0.970 179 N HN 0.066 nan 8.380 nan 0.000 0.467 180 L N 1.587 122.806 121.223 -0.006 0.000 2.439 180 L HA 0.470 4.810 4.340 -0.001 0.000 0.261 180 L C -2.014 174.826 176.870 -0.052 0.000 1.153 180 L CA -2.059 52.772 54.840 -0.015 0.000 0.808 180 L CB 0.163 42.231 42.059 0.015 0.000 1.126 180 L HN -0.078 nan 8.230 nan 0.000 0.460 181 P HA 0.025 nan 4.420 nan 0.000 0.266 181 P C -0.651 176.532 177.300 -0.195 0.000 1.195 181 P CA 0.034 63.050 63.100 -0.140 0.000 0.768 181 P CB 0.549 32.149 31.700 -0.167 0.000 0.838 182 S N 2.205 117.832 115.700 -0.121 0.000 2.584 182 S HA 0.305 4.774 4.470 -0.001 0.000 0.273 182 S C -0.967 173.559 174.600 -0.122 0.000 1.311 182 S CA -0.297 57.875 58.200 -0.046 0.000 1.034 182 S CB -0.137 63.118 63.200 0.093 0.000 0.939 182 S HN 0.178 nan 8.310 nan 0.000 0.513 183 Y N 3.026 123.347 120.300 0.034 0.000 2.341 183 Y HA 0.383 4.932 4.550 -0.001 0.000 0.340 183 Y C 0.958 176.775 175.900 -0.138 0.000 0.997 183 Y CA -0.474 57.620 58.100 -0.010 0.000 1.149 183 Y CB 0.703 39.155 38.460 -0.012 0.000 1.171 183 Y HN 0.542 nan 8.280 nan 0.000 0.494 184 R N 3.648 124.091 120.500 -0.094 0.000 2.438 184 R HA 0.186 4.525 4.340 -0.001 0.000 0.287 184 R C 0.111 176.096 176.300 -0.525 0.000 1.077 184 R CA 0.118 55.823 56.100 -0.658 0.000 1.034 184 R CB 0.525 30.228 30.300 -0.994 0.000 0.993 184 R HN 0.756 nan 8.270 nan 0.000 0.459 185 I N 1.168 121.300 120.570 -0.730 0.000 3.616 185 I HA 0.047 4.216 4.170 -0.001 0.000 0.296 185 I C 1.007 176.857 176.117 -0.445 0.000 1.226 185 I CA 0.687 61.723 61.300 -0.439 0.000 1.394 185 I CB 0.111 37.832 38.000 -0.465 0.000 1.171 185 I HN 0.479 nan 8.210 nan 0.000 0.442 186 T N -1.064 113.015 114.554 -0.793 0.000 2.906 186 T HA 0.393 4.742 4.350 -0.001 0.000 0.295 186 T C -1.260 172.949 174.700 -0.818 0.000 1.061 186 T CA -0.248 61.513 62.100 -0.565 0.000 1.000 186 T CB 1.255 69.828 68.868 -0.492 0.000 1.103 186 T HN 0.145 nan 8.240 nan 0.000 0.486 187 W N 0.957 122.145 121.300 -0.186 0.000 2.324 187 W HA 0.231 4.891 4.660 -0.001 0.000 0.316 187 W C 1.860 178.326 176.519 -0.088 0.000 0.927 187 W CA -0.047 57.227 57.345 -0.118 0.000 1.438 187 W CB -0.429 28.981 29.460 -0.084 0.000 1.085 187 W HN 0.761 nan 8.180 nan 0.000 0.532 188 T N -2.359 112.238 114.554 0.072 0.000 3.081 188 T HA 0.263 4.612 4.350 -0.001 0.000 0.250 188 T C 1.289 175.981 174.700 -0.014 0.000 1.100 188 T CA 0.307 62.430 62.100 0.038 0.000 1.038 188 T CB -0.262 68.627 68.868 0.035 0.000 0.962 188 T HN 0.038 nan 8.240 nan 0.000 0.516 189 G N 1.589 110.349 108.800 -0.066 0.000 2.225 189 G HA2 0.316 4.275 3.960 -0.001 0.000 0.245 189 G HA3 0.316 4.275 3.960 -0.001 0.000 0.245 189 G C -0.521 174.312 174.900 -0.111 0.000 1.249 189 G CA -0.361 44.673 45.100 -0.110 0.000 0.919 189 G HN 0.648 nan 8.290 nan 0.000 0.486 190 K N 2.144 122.458 120.400 -0.143 0.000 2.581 190 K HA 0.273 4.592 4.320 -0.001 0.000 0.249 190 K C -0.093 176.386 176.600 -0.203 0.000 0.966 190 K CA -0.727 55.481 56.287 -0.132 0.000 0.811 190 K CB 1.517 33.977 32.500 -0.067 0.000 1.223 190 K HN 0.533 nan 8.250 nan 0.000 0.438 191 E N 3.472 123.562 120.200 -0.183 0.000 2.652 191 E HA -0.150 4.199 4.350 -0.001 0.000 0.255 191 E C -0.552 175.964 176.600 -0.141 0.000 0.952 191 E CA 1.074 57.364 56.400 -0.184 0.000 0.947 191 E CB 0.216 29.843 29.700 -0.122 0.000 0.912 191 E HN 0.714 nan 8.360 nan 0.000 0.489 192 D N 2.662 122.965 120.400 -0.163 0.000 3.077 192 D HA -0.236 4.404 4.640 -0.001 0.000 0.217 192 D C 0.491 176.848 176.300 0.094 0.000 1.162 192 D CA 1.189 55.222 54.000 0.054 0.000 0.943 192 D CB -0.437 40.424 40.800 0.101 0.000 1.122 192 D HN 0.412 nan 8.370 nan 0.000 0.413 193 I N -1.049 119.478 120.570 -0.073 0.000 3.669 193 I HA 0.119 4.289 4.170 -0.001 0.000 0.255 193 I C 0.843 177.029 176.117 0.115 0.000 1.144 193 I CA 0.384 61.726 61.300 0.071 0.000 1.447 193 I CB 0.140 38.158 38.000 0.030 0.000 1.622 193 I HN -0.125 nan 8.210 nan 0.000 0.435 194 I N 1.765 122.301 120.570 -0.056 0.000 2.378 194 I HA 0.270 4.439 4.170 -0.001 0.000 0.291 194 I C -1.271 174.793 176.117 -0.089 0.000 0.992 194 I CA -0.454 60.878 61.300 0.053 0.000 1.154 194 I CB 1.188 39.207 38.000 0.032 0.000 1.315 194 I HN 0.043 nan 8.210 nan 0.000 0.448 195 Y N 4.695 125.079 120.300 0.140 0.000 2.328 195 Y HA 0.398 4.948 4.550 -0.001 0.000 0.333 195 Y C 0.318 176.262 175.900 0.072 0.000 0.958 195 Y CA -0.871 57.308 58.100 0.131 0.000 1.167 195 Y CB 1.141 39.758 38.460 0.262 0.000 1.151 195 Y HN 0.405 nan 8.280 nan 0.000 0.470 196 N N 2.118 120.860 118.700 0.070 0.000 2.446 196 N HA 0.373 5.112 4.740 -0.001 0.000 0.265 196 N C 0.812 176.226 175.510 -0.160 0.000 0.975 196 N CA 0.439 53.452 53.050 -0.062 0.000 0.928 196 N CB 1.906 40.263 38.487 -0.215 0.000 1.160 196 N HN 0.981 nan 8.380 nan 0.000 0.495 197 G N 1.605 110.315 108.800 -0.150 0.000 2.225 197 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.254 197 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.254 197 G C 0.149 174.865 174.900 -0.306 0.000 0.988 197 G CA 0.642 45.582 45.100 -0.267 0.000 0.625 197 G HN 0.651 nan 8.290 nan 0.000 0.527 198 I N -1.041 119.421 120.570 -0.181 0.000 2.785 198 I HA 0.808 4.978 4.170 -0.001 0.000 0.302 198 I C 0.433 176.581 176.117 0.051 0.000 1.069 198 I CA -0.589 60.526 61.300 -0.308 0.000 1.045 198 I CB 1.996 39.607 38.000 -0.647 0.000 1.236 198 I HN 0.173 nan 8.210 nan 0.000 0.429 199 T N -0.171 114.369 114.554 -0.023 0.000 2.849 199 T HA 0.314 4.663 4.350 -0.001 0.000 0.284 199 T C -0.137 174.407 174.700 -0.260 0.000 1.004 199 T CA -0.619 61.373 62.100 -0.180 0.000 1.021 199 T CB 1.177 70.001 68.868 -0.073 0.000 1.013 199 T HN 0.783 nan 8.240 nan 0.000 0.527 200 D N -0.159 119.828 120.400 -0.688 0.000 2.506 200 D HA 0.045 4.684 4.640 -0.001 0.000 0.272 200 D C 0.958 177.180 176.300 -0.130 0.000 1.214 200 D CA -1.102 52.484 54.000 -0.691 0.000 1.067 200 D CB 0.152 40.451 40.800 -0.834 0.000 1.117 200 D HN 0.683 nan 8.370 nan 0.000 0.578 201 W N 0.295 121.541 121.300 -0.089 0.000 2.315 201 W HA -0.230 4.429 4.660 -0.001 0.000 0.323 201 W C 2.170 178.590 176.519 -0.165 0.000 1.233 201 W CA 2.552 59.843 57.345 -0.089 0.000 1.267 201 W CB -0.555 28.791 29.460 -0.190 0.000 1.160 201 W HN 0.191 nan 8.180 nan 0.000 0.474 202 V N -0.183 119.739 119.914 0.014 0.000 2.515 202 V HA -0.281 3.838 4.120 -0.001 0.000 0.250 202 V C 1.859 177.734 176.094 -0.364 0.000 1.058 202 V CA 1.964 64.132 62.300 -0.221 0.000 1.064 202 V CB -0.738 31.023 31.823 -0.103 0.000 0.675 202 V HN 0.310 nan 8.190 nan 0.000 0.461 203 Y N 0.527 120.617 120.300 -0.350 0.000 2.314 203 Y HA -0.133 4.416 4.550 -0.001 0.000 0.293 203 Y C 2.573 178.354 175.900 -0.197 0.000 1.129 203 Y CA 2.006 59.916 58.100 -0.318 0.000 1.201 203 Y CB 0.055 38.206 38.460 -0.515 0.000 0.999 203 Y HN 0.394 nan 8.280 nan 0.000 0.541 204 E N 0.251 120.397 120.200 -0.091 0.000 2.046 204 E HA -0.249 4.100 4.350 -0.001 0.000 0.190 204 E C 1.943 178.493 176.600 -0.083 0.000 0.982 204 E CA 1.373 57.758 56.400 -0.024 0.000 0.800 204 E CB 0.069 29.769 29.700 0.000 0.000 0.756 204 E HN 0.427 nan 8.360 nan 0.000 0.449 205 E N 0.381 120.354 120.200 -0.379 0.000 2.033 205 E HA -0.140 4.209 4.350 -0.001 0.000 0.189 205 E C 1.781 178.253 176.600 -0.213 0.000 0.979 205 E CA 1.445 57.618 56.400 -0.379 0.000 0.802 205 E CB 0.133 29.284 29.700 -0.916 0.000 0.763 205 E HN 0.187 nan 8.360 nan 0.000 0.449 206 E N -0.335 119.698 120.200 -0.278 0.000 2.340 206 E HA 0.011 4.360 4.350 -0.001 0.000 0.194 206 E C 1.880 178.340 176.600 -0.232 0.000 0.996 206 E CA 0.918 57.210 56.400 -0.180 0.000 0.869 206 E CB 0.950 30.535 29.700 -0.192 0.000 0.835 206 E HN 0.335 nan 8.360 nan 0.000 0.493 207 V N -1.852 117.866 119.914 -0.327 0.000 2.996 207 V HA 0.129 4.248 4.120 -0.001 0.000 0.235 207 V C 1.322 177.173 176.094 -0.404 0.000 1.205 207 V CA 0.311 62.346 62.300 -0.442 0.000 1.225 207 V CB -0.218 31.166 31.823 -0.732 0.000 0.995 207 V HN -0.032 nan 8.190 nan 0.000 0.484 208 F N 1.536 121.494 119.950 0.013 0.000 2.714 208 F HA 0.461 4.987 4.527 -0.001 0.000 0.294 208 F C 1.671 177.441 175.800 -0.051 0.000 1.120 208 F CA 0.613 58.643 58.000 0.049 0.000 1.398 208 F CB -0.167 38.914 39.000 0.134 0.000 1.120 208 F HN 0.215 nan 8.300 nan 0.000 0.589 209 S N 0.367 116.084 115.700 0.028 0.000 3.614 209 S HA 0.006 4.476 4.470 -0.001 0.000 0.360 209 S C 0.026 174.256 174.600 -0.616 0.000 1.023 209 S CA 0.409 58.497 58.200 -0.186 0.000 1.114 209 S CB -1.678 61.468 63.200 -0.089 0.000 0.907 209 S HN 0.653 nan 8.310 nan 0.000 0.470 210 A N -0.619 122.039 122.820 -0.269 0.000 2.608 210 A HA 0.703 5.023 4.320 -0.001 0.000 0.292 210 A C -0.284 177.281 177.584 -0.033 0.000 1.066 210 A CA -0.463 51.431 52.037 -0.238 0.000 0.676 210 A CB 0.298 19.177 19.000 -0.201 0.000 1.277 210 A HN 0.317 nan 8.150 nan 0.000 0.413 211 Y N 1.424 121.570 120.300 -0.257 0.000 2.347 211 Y HA 0.180 4.729 4.550 -0.001 0.000 0.294 211 Y C 1.664 177.281 175.900 -0.471 0.000 1.117 211 Y CA 1.084 59.041 58.100 -0.239 0.000 1.184 211 Y CB -0.135 38.222 38.460 -0.172 0.000 1.047 211 Y HN 0.744 nan 8.280 nan 0.000 0.546 212 S N 0.801 115.972 115.700 -0.882 0.000 2.552 212 S HA 0.362 4.831 4.470 -0.001 0.000 0.289 212 S C 0.253 174.327 174.600 -0.877 0.000 1.304 212 S CA 0.230 57.674 58.200 -1.261 0.000 1.063 212 S CB 0.327 62.470 63.200 -1.762 0.000 0.848 212 S HN 0.471 nan 8.310 nan 0.000 0.499 213 A N 4.426 126.712 122.820 -0.890 0.000 2.992 213 A HA 0.522 4.841 4.320 -0.001 0.000 0.263 213 A C -0.849 175.980 177.584 -1.257 0.000 0.928 213 A CA -0.662 50.777 52.037 -0.997 0.000 1.061 213 A CB -0.343 18.492 19.000 -0.275 0.000 1.173 213 A HN 1.001 nan 8.150 nan 0.000 0.482 214 L N -4.499 115.835 121.223 -1.481 0.000 2.445 214 L HA 0.891 5.230 4.340 -0.001 0.000 0.262 214 L C -1.341 174.973 176.870 -0.927 0.000 0.974 214 L CA -1.262 53.029 54.840 -0.915 0.000 0.822 214 L CB 1.027 42.799 42.059 -0.478 0.000 1.339 214 L HN 0.227 nan 8.230 nan 0.000 0.409 215 W N 1.831 123.156 121.300 0.042 0.000 2.587 215 W HA 0.343 5.002 4.660 -0.001 0.000 0.324 215 W C -1.402 175.292 176.519 0.291 0.000 1.008 215 W CA -0.770 56.714 57.345 0.232 0.000 1.265 215 W CB 1.577 31.246 29.460 0.349 0.000 1.328 215 W HN 0.623 nan 8.180 nan 0.000 0.432 216 W N 2.461 123.950 121.300 0.316 0.000 2.170 216 W HA 0.220 4.880 4.660 -0.001 0.000 0.336 216 W C 1.305 177.641 176.519 -0.306 0.000 1.283 216 W CA 0.334 57.725 57.345 0.077 0.000 1.224 216 W CB 0.865 30.356 29.460 0.052 0.000 1.132 216 W HN 0.191 nan 8.180 nan 0.000 0.571 217 S N 2.605 118.050 115.700 -0.425 0.000 2.600 217 S HA 0.201 4.670 4.470 -0.001 0.000 0.265 217 S C -1.773 172.588 174.600 -0.398 0.000 1.325 217 S CA -1.009 56.407 58.200 -1.306 0.000 1.002 217 S CB 1.004 63.500 63.200 -1.173 0.000 0.921 217 S HN 0.282 nan 8.310 nan 0.000 0.554 218 P HA -0.206 nan 4.420 nan 0.000 0.216 218 P C 0.913 178.194 177.300 -0.033 0.000 1.167 218 P CA 1.936 65.014 63.100 -0.037 0.000 0.914 218 P CB -0.239 31.482 31.700 0.035 0.000 0.793 219 N N -2.100 116.570 118.700 -0.051 0.000 2.322 219 N HA 0.133 4.872 4.740 -0.001 0.000 0.194 219 N C 1.053 176.501 175.510 -0.102 0.000 1.126 219 N CA 0.622 53.638 53.050 -0.056 0.000 0.845 219 N CB -0.704 37.763 38.487 -0.034 0.000 0.976 219 N HN 0.250 nan 8.380 nan 0.000 0.475 220 G N -1.180 107.564 108.800 -0.093 0.000 2.176 220 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.253 220 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.253 220 G C 0.977 175.907 174.900 0.050 0.000 0.979 220 G CA 0.679 45.727 45.100 -0.087 0.000 0.641 220 G HN 0.370 nan 8.290 nan 0.000 0.530 221 T N 0.083 114.594 114.554 -0.072 0.000 2.674 221 T HA 0.168 4.517 4.350 -0.001 0.000 0.265 221 T C 0.899 175.433 174.700 -0.277 0.000 1.039 221 T CA 1.403 63.351 62.100 -0.254 0.000 1.150 221 T CB -0.093 68.485 68.868 -0.484 0.000 0.864 221 T HN 0.303 nan 8.240 nan 0.000 0.427 222 F N 0.249 120.224 119.950 0.042 0.000 2.432 222 F HA 0.628 5.155 4.527 -0.001 0.000 0.329 222 F C -0.220 175.611 175.800 0.052 0.000 1.076 222 F CA -1.607 56.445 58.000 0.085 0.000 1.018 222 F CB 1.145 40.264 39.000 0.198 0.000 1.201 222 F HN -0.094 nan 8.300 nan 0.000 0.489 223 L N 2.698 124.035 121.223 0.190 0.000 2.372 223 L HA 0.805 5.144 4.340 -0.001 0.000 0.273 223 L C -0.729 176.202 176.870 0.102 0.000 0.989 223 L CA -0.503 54.242 54.840 -0.159 0.000 0.841 223 L CB 0.764 42.456 42.059 -0.612 0.000 1.225 223 L HN 0.658 nan 8.230 nan 0.000 0.414 224 A N 4.667 127.635 122.820 0.245 0.000 2.312 224 A HA 0.805 5.124 4.320 -0.001 0.000 0.328 224 A C -1.380 176.281 177.584 0.129 0.000 1.158 224 A CA -0.285 51.816 52.037 0.107 0.000 0.821 224 A CB 0.651 19.817 19.000 0.276 0.000 1.170 224 A HN 0.865 nan 8.150 nan 0.000 0.490 225 Y N -1.630 118.451 120.300 -0.365 0.000 2.655 225 Y HA 0.797 5.346 4.550 -0.001 0.000 0.336 225 Y C -0.344 175.377 175.900 -0.298 0.000 1.154 225 Y CA -1.025 56.931 58.100 -0.240 0.000 1.055 225 Y CB 0.974 39.264 38.460 -0.283 0.000 1.295 225 Y HN 0.927 nan 8.280 nan 0.000 0.465 226 A N 1.608 124.482 122.820 0.089 0.000 2.355 226 A HA 0.676 4.995 4.320 -0.001 0.000 0.324 226 A C -1.329 176.134 177.584 -0.200 0.000 1.117 226 A CA -0.869 51.111 52.037 -0.094 0.000 0.785 226 A CB 1.849 20.777 19.000 -0.119 0.000 1.254 226 A HN 0.802 nan 8.150 nan 0.000 0.453 227 Q N 1.055 120.692 119.800 -0.273 0.000 2.340 227 Q HA 0.620 4.959 4.340 -0.001 0.000 0.268 227 Q C -2.072 173.711 176.000 -0.361 0.000 1.031 227 Q CA -0.388 55.338 55.803 -0.129 0.000 0.804 227 Q CB 1.115 29.981 28.738 0.213 0.000 1.286 227 Q HN 0.590 nan 8.270 nan 0.000 0.448 228 F N 2.432 122.484 119.950 0.171 0.000 2.458 228 F HA 0.402 4.928 4.527 -0.001 0.000 0.336 228 F C 0.301 176.257 175.800 0.260 0.000 1.114 228 F CA -0.934 57.146 58.000 0.133 0.000 0.987 228 F CB 1.500 40.485 39.000 -0.025 0.000 1.130 228 F HN 0.433 nan 8.300 nan 0.000 0.458 229 N N 1.972 120.903 118.700 0.386 0.000 2.443 229 N HA 0.234 4.973 4.740 -0.001 0.000 0.269 229 N C -0.820 174.871 175.510 0.303 0.000 0.985 229 N CA -0.349 52.889 53.050 0.314 0.000 0.921 229 N CB 1.128 39.743 38.487 0.214 0.000 1.195 229 N HN 0.532 nan 8.380 nan 0.000 0.492 230 D N 1.449 122.050 120.400 0.334 0.000 2.424 230 D HA 0.131 4.770 4.640 -0.001 0.000 0.220 230 D C 1.165 177.588 176.300 0.206 0.000 1.150 230 D CA 0.128 54.297 54.000 0.281 0.000 0.831 230 D CB 0.503 41.522 40.800 0.365 0.000 0.981 230 D HN 0.495 nan 8.370 nan 0.000 0.500 231 T N 0.421 115.079 114.554 0.173 0.000 2.653 231 T HA -0.245 4.104 4.350 -0.001 0.000 0.267 231 T C 1.249 176.011 174.700 0.103 0.000 1.037 231 T CA 1.403 63.577 62.100 0.123 0.000 1.159 231 T CB -0.060 68.870 68.868 0.103 0.000 0.859 231 T HN 0.317 nan 8.240 nan 0.000 0.449 232 E N 0.390 120.652 120.200 0.103 0.000 2.496 232 E HA 0.205 4.554 4.350 -0.001 0.000 0.200 232 E C -0.676 175.978 176.600 0.090 0.000 1.016 232 E CA -0.218 56.232 56.400 0.084 0.000 0.962 232 E CB 0.677 30.419 29.700 0.069 0.000 1.071 232 E HN 0.219 nan 8.360 nan 0.000 0.457 233 V N 3.218 123.200 119.914 0.113 0.000 2.488 233 V HA 0.131 4.250 4.120 -0.001 0.000 0.277 233 V C -2.022 174.135 176.094 0.104 0.000 1.046 233 V CA -1.631 60.739 62.300 0.118 0.000 0.986 233 V CB 0.478 32.390 31.823 0.148 0.000 0.989 233 V HN 0.060 nan 8.190 nan 0.000 0.475 234 P HA 0.205 nan 4.420 nan 0.000 0.269 234 P C -0.702 176.641 177.300 0.071 0.000 1.215 234 P CA -0.092 63.050 63.100 0.071 0.000 0.780 234 P CB 0.462 32.203 31.700 0.067 0.000 0.898 235 L N 2.254 123.496 121.223 0.031 0.000 2.322 235 L HA 0.482 4.821 4.340 -0.001 0.000 0.279 235 L C 0.254 177.082 176.870 -0.071 0.000 1.036 235 L CA -1.006 53.836 54.840 0.002 0.000 0.807 235 L CB 1.072 43.128 42.059 -0.006 0.000 1.226 235 L HN 0.280 nan 8.230 nan 0.000 0.433 236 I N 2.128 122.611 120.570 -0.146 0.000 2.385 236 I HA 0.283 4.452 4.170 -0.001 0.000 0.294 236 I C -0.400 175.586 176.117 -0.218 0.000 0.988 236 I CA 0.029 61.147 61.300 -0.302 0.000 1.265 236 I CB 0.994 38.573 38.000 -0.702 0.000 1.388 236 I HN 0.573 nan 8.210 nan 0.000 0.480 237 E N 7.478 127.569 120.200 -0.181 0.000 2.222 237 E HA 0.549 4.899 4.350 -0.001 0.000 0.267 237 E C -1.782 174.774 176.600 -0.075 0.000 0.884 237 E CA -0.597 55.699 56.400 -0.174 0.000 0.764 237 E CB 2.117 31.736 29.700 -0.134 0.000 1.169 237 E HN 0.569 nan 8.360 nan 0.000 0.413 238 Y N -1.861 118.351 120.300 -0.145 0.000 2.624 238 Y HA 0.522 5.071 4.550 -0.001 0.000 0.334 238 Y C -0.820 175.014 175.900 -0.111 0.000 1.155 238 Y CA -1.254 56.768 58.100 -0.131 0.000 1.046 238 Y CB 0.869 39.254 38.460 -0.126 0.000 1.316 238 Y HN 0.219 nan 8.280 nan 0.000 0.457 239 S N 2.050 117.746 115.700 -0.006 0.000 2.565 239 S HA 0.483 4.953 4.470 -0.001 0.000 0.274 239 S C -1.405 173.058 174.600 -0.228 0.000 1.309 239 S CA -0.381 57.682 58.200 -0.228 0.000 1.043 239 S CB 0.399 63.342 63.200 -0.430 0.000 0.939 239 S HN 0.535 nan 8.310 nan 0.000 0.504 240 F N 2.633 122.331 119.950 -0.420 0.000 2.460 240 F HA 0.425 4.951 4.527 -0.001 0.000 0.341 240 F C -0.174 175.379 175.800 -0.413 0.000 1.130 240 F CA -0.897 56.947 58.000 -0.260 0.000 0.962 240 F CB 0.720 39.676 39.000 -0.074 0.000 1.171 240 F HN 0.652 nan 8.300 nan 0.000 0.436 241 Y N 2.849 122.941 120.300 -0.346 0.000 2.337 241 Y HA 0.069 4.618 4.550 -0.001 0.000 0.293 241 Y C 1.824 177.663 175.900 -0.102 0.000 1.123 241 Y CA 1.252 59.241 58.100 -0.185 0.000 1.201 241 Y CB -0.668 37.669 38.460 -0.205 0.000 1.011 241 Y HN 0.752 nan 8.280 nan 0.000 0.545 242 S N -0.557 115.071 115.700 -0.120 0.000 3.486 242 S HA -0.220 4.249 4.470 -0.001 0.000 0.632 242 S C -0.545 174.113 174.600 0.097 0.000 2.553 242 S CA 0.308 58.601 58.200 0.156 0.000 2.974 242 S CB -1.383 61.993 63.200 0.293 0.000 0.320 242 S HN 0.442 nan 8.310 nan 0.000 1.613 243 D N 1.558 122.029 120.400 0.119 0.000 2.357 243 D HA 0.196 4.835 4.640 -0.001 0.000 0.242 243 D C 1.372 177.709 176.300 0.062 0.000 1.153 243 D CA 0.268 54.315 54.000 0.079 0.000 0.918 243 D CB 0.344 41.190 40.800 0.076 0.000 1.181 243 D HN 0.620 nan 8.370 nan 0.000 0.435 244 E N 0.515 120.739 120.200 0.040 0.000 2.130 244 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 244 E C 1.671 178.289 176.600 0.029 0.000 0.998 244 E CA 1.496 57.912 56.400 0.026 0.000 0.806 244 E CB 0.142 29.850 29.700 0.014 0.000 0.738 244 E HN 0.457 nan 8.360 nan 0.000 0.459 245 S N 0.341 116.063 115.700 0.036 0.000 2.419 245 S HA -0.118 4.351 4.470 -0.001 0.000 0.233 245 S C 1.223 175.851 174.600 0.047 0.000 1.016 245 S CA 0.162 58.384 58.200 0.037 0.000 0.974 245 S CB -0.298 62.925 63.200 0.038 0.000 0.786 245 S HN 0.267 nan 8.310 nan 0.000 0.492 246 L N 2.486 123.746 121.223 0.061 0.000 2.530 246 L HA 0.080 4.420 4.340 -0.001 0.000 0.273 246 L C 1.629 178.539 176.870 0.067 0.000 1.141 246 L CA 0.214 55.101 54.840 0.078 0.000 0.905 246 L CB 0.746 42.863 42.059 0.096 0.000 1.202 246 L HN 0.492 nan 8.230 nan 0.000 0.473 247 Q N 4.129 123.979 119.800 0.084 0.000 2.016 247 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 247 Q C -0.507 175.465 176.000 -0.047 0.000 0.978 247 Q CA 1.411 57.233 55.803 0.032 0.000 0.833 247 Q CB 0.179 28.980 28.738 0.106 0.000 0.895 247 Q HN 0.583 nan 8.270 nan 0.000 0.427 248 Y N 0.845 121.152 120.300 0.012 0.000 2.331 248 Y HA 0.352 4.901 4.550 -0.001 0.000 0.338 248 Y C -1.991 173.905 175.900 -0.008 0.000 0.976 248 Y CA -2.912 55.189 58.100 0.001 0.000 1.137 248 Y CB 1.106 39.561 38.460 -0.010 0.000 1.172 248 Y HN 0.189 nan 8.280 nan 0.000 0.478 249 P HA 0.036 nan 4.420 nan 0.000 0.268 249 P C -0.981 176.308 177.300 -0.018 0.000 1.208 249 P CA -0.333 62.749 63.100 -0.030 0.000 0.777 249 P CB 0.557 32.166 31.700 -0.150 0.000 0.875 250 K N -0.083 120.290 120.400 -0.046 0.000 2.156 250 K HA 0.598 4.918 4.320 -0.001 0.000 0.250 250 K C -0.719 175.824 176.600 -0.095 0.000 0.955 250 K CA -0.753 55.513 56.287 -0.035 0.000 0.855 250 K CB 0.698 33.201 32.500 0.005 0.000 1.101 250 K HN 0.191 nan 8.250 nan 0.000 0.434 251 T N 1.539 116.026 114.554 -0.111 0.000 2.749 251 T HA 0.228 4.577 4.350 -0.001 0.000 0.287 251 T C -0.211 174.355 174.700 -0.224 0.000 0.970 251 T CA -0.719 61.281 62.100 -0.167 0.000 0.980 251 T CB 1.041 69.830 68.868 -0.132 0.000 0.924 251 T HN 0.316 nan 8.240 nan 0.000 0.456 252 V N 5.881 125.557 119.914 -0.397 0.000 2.509 252 V HA 0.548 4.667 4.120 -0.001 0.000 0.284 252 V C 0.275 176.089 176.094 -0.466 0.000 1.047 252 V CA -0.757 61.256 62.300 -0.478 0.000 0.952 252 V CB 0.795 32.144 31.823 -0.789 0.000 0.988 252 V HN 0.796 nan 8.190 nan 0.000 0.469 253 R N 4.245 124.605 120.500 -0.234 0.000 2.514 253 R HA 0.743 5.082 4.340 -0.001 0.000 0.296 253 R C -1.611 174.678 176.300 -0.019 0.000 1.012 253 R CA -0.575 55.438 56.100 -0.145 0.000 0.897 253 R CB 1.575 31.816 30.300 -0.098 0.000 1.184 253 R HN 0.487 nan 8.270 nan 0.000 0.440 254 V N 2.018 121.932 119.914 -0.000 0.000 2.638 254 V HA 0.526 4.645 4.120 -0.001 0.000 0.306 254 V C -2.711 173.447 176.094 0.106 0.000 1.052 254 V CA -2.471 59.901 62.300 0.119 0.000 0.885 254 V CB 2.531 34.464 31.823 0.183 0.000 0.999 254 V HN 0.578 nan 8.190 nan 0.000 0.424 255 P HA 0.168 nan 4.420 nan 0.000 0.261 255 P C -1.736 175.685 177.300 0.202 0.000 1.203 255 P CA 0.690 63.905 63.100 0.191 0.000 0.767 255 P CB -0.356 31.497 31.700 0.254 0.000 0.785 256 Y N 6.654 126.943 120.300 -0.018 0.000 2.315 256 Y HA 0.392 4.941 4.550 -0.001 0.000 0.324 256 Y C -2.765 173.123 175.900 -0.020 0.000 1.062 256 Y CA -2.894 55.155 58.100 -0.085 0.000 1.159 256 Y CB 1.811 40.090 38.460 -0.301 0.000 1.145 256 Y HN 0.276 nan 8.280 nan 0.000 0.442 257 P HA 0.288 nan 4.420 nan 0.000 0.292 257 P C -1.055 176.334 177.300 0.149 0.000 1.326 257 P CA -0.308 62.869 63.100 0.128 0.000 0.787 257 P CB 1.614 33.361 31.700 0.077 0.000 0.903 258 K N 1.995 122.544 120.400 0.248 0.000 2.102 258 K HA 0.524 4.843 4.320 -0.001 0.000 0.244 258 K C 0.515 177.225 176.600 0.183 0.000 1.021 258 K CA -0.750 55.696 56.287 0.265 0.000 0.913 258 K CB 0.579 33.240 32.500 0.269 0.000 1.062 258 K HN 0.464 nan 8.250 nan 0.000 0.485 259 A N 0.830 123.781 122.820 0.219 0.000 2.591 259 A HA 0.235 4.554 4.320 -0.001 0.000 0.244 259 A C 1.238 178.870 177.584 0.081 0.000 1.031 259 A CA 1.134 53.287 52.037 0.194 0.000 0.767 259 A CB -1.297 17.903 19.000 0.333 0.000 0.942 259 A HN 0.919 nan 8.150 nan 0.000 0.514 260 G N 0.998 109.833 108.800 0.058 0.000 2.205 260 G HA2 0.095 4.054 3.960 -0.001 0.000 0.261 260 G HA3 0.095 4.054 3.960 -0.001 0.000 0.261 260 G C 0.719 175.638 174.900 0.030 0.000 0.980 260 G CA 0.835 45.941 45.100 0.010 0.000 0.632 260 G HN 2.231 nan 8.290 nan 0.000 0.533 261 A N -0.280 122.576 122.820 0.060 0.000 2.280 261 A HA 0.725 5.044 4.320 -0.001 0.000 0.268 261 A C 0.886 178.508 177.584 0.064 0.000 1.111 261 A CA 0.343 52.419 52.037 0.065 0.000 0.814 261 A CB 0.632 19.686 19.000 0.091 0.000 1.093 261 A HN 1.160 nan 8.150 nan 0.000 0.498 262 V N 2.481 122.433 119.914 0.065 0.000 2.529 262 V HA 0.020 4.139 4.120 -0.001 0.000 0.292 262 V C 0.370 176.516 176.094 0.087 0.000 1.028 262 V CA -0.027 62.312 62.300 0.066 0.000 1.074 262 V CB -0.141 31.721 31.823 0.065 0.000 0.958 262 V HN 0.817 nan 8.190 nan 0.000 0.481 263 N N 6.236 124.989 118.700 0.088 0.000 2.458 263 N HA 0.503 5.242 4.740 -0.001 0.000 0.271 263 N C -2.404 173.200 175.510 0.157 0.000 1.210 263 N CA -1.418 51.709 53.050 0.129 0.000 0.978 263 N CB 1.084 39.654 38.487 0.138 0.000 1.206 263 N HN 0.394 nan 8.380 nan 0.000 0.536 264 P HA 0.150 nan 4.420 nan 0.000 0.277 264 P C -0.528 176.940 177.300 0.280 0.000 1.240 264 P CA -0.222 63.037 63.100 0.264 0.000 0.798 264 P CB 0.554 32.442 31.700 0.313 0.000 0.979 265 T N -1.541 113.155 114.554 0.237 0.000 2.945 265 T HA 0.548 4.897 4.350 -0.001 0.000 0.286 265 T C -0.269 174.573 174.700 0.238 0.000 1.025 265 T CA -0.818 61.387 62.100 0.174 0.000 1.039 265 T CB 1.466 70.396 68.868 0.104 0.000 1.068 265 T HN 0.293 nan 8.240 nan 0.000 0.497 266 V N 0.814 120.850 119.914 0.203 0.000 2.823 266 V HA 0.768 4.888 4.120 -0.001 0.000 0.312 266 V C -1.229 174.966 176.094 0.168 0.000 1.072 266 V CA -0.841 61.552 62.300 0.155 0.000 0.937 266 V CB 1.907 33.871 31.823 0.235 0.000 1.013 266 V HN 1.049 nan 8.190 nan 0.000 0.430 267 K N 4.367 124.800 120.400 0.055 0.000 2.435 267 K HA 0.569 4.888 4.320 -0.001 0.000 0.251 267 K C -1.942 174.612 176.600 -0.078 0.000 0.954 267 K CA -0.481 55.812 56.287 0.010 0.000 0.820 267 K CB 2.670 35.176 32.500 0.010 0.000 1.292 267 K HN 0.575 nan 8.250 nan 0.000 0.436 268 F N 2.279 121.960 119.950 -0.449 0.000 2.520 268 F HA 0.596 5.122 4.527 -0.001 0.000 0.322 268 F C -1.459 173.808 175.800 -0.889 0.000 1.103 268 F CA -0.657 57.061 58.000 -0.470 0.000 0.926 268 F CB 0.911 39.760 39.000 -0.251 0.000 1.154 268 F HN 0.383 nan 8.300 nan 0.000 0.453 269 F N 3.546 122.757 119.950 -1.231 0.000 2.626 269 F HA 0.747 5.273 4.527 -0.001 0.000 0.311 269 F C -1.067 174.096 175.800 -1.063 0.000 1.088 269 F CA -1.222 56.176 58.000 -1.002 0.000 0.949 269 F CB 2.017 40.362 39.000 -1.092 0.000 1.322 269 F HN 0.141 nan 8.300 nan 0.000 0.461 270 V N 2.380 122.087 119.914 -0.344 0.000 2.638 270 V HA 0.688 4.807 4.120 -0.001 0.000 0.306 270 V C -1.185 175.002 176.094 0.154 0.000 1.052 270 V CA -0.847 61.330 62.300 -0.205 0.000 0.885 270 V CB 1.970 33.445 31.823 -0.581 0.000 0.999 270 V HN 0.650 nan 8.190 nan 0.000 0.424 271 V N 4.039 124.114 119.914 0.269 0.000 2.680 271 V HA 0.555 4.674 4.120 -0.001 0.000 0.309 271 V C -0.296 176.050 176.094 0.421 0.000 1.052 271 V CA -0.612 61.879 62.300 0.318 0.000 0.908 271 V CB 2.047 33.988 31.823 0.197 0.000 1.001 271 V HN 1.005 nan 8.190 nan 0.000 0.431 272 N N 3.072 121.990 118.700 0.363 0.000 2.469 272 N HA 0.184 4.923 4.740 -0.001 0.000 0.239 272 N C 1.022 176.524 175.510 -0.013 0.000 1.053 272 N CA 0.281 53.412 53.050 0.135 0.000 0.937 272 N CB 1.032 39.584 38.487 0.110 0.000 1.163 272 N HN 0.906 nan 8.380 nan 0.000 0.509 273 T N -0.245 114.282 114.554 -0.044 0.000 3.227 273 T HA 0.015 4.364 4.350 -0.001 0.000 0.257 273 T C 0.389 175.025 174.700 -0.108 0.000 1.162 273 T CA 0.453 62.522 62.100 -0.052 0.000 1.051 273 T CB 0.071 68.990 68.868 0.086 0.000 0.953 273 T HN 0.419 nan 8.240 nan 0.000 0.535 274 D N 0.668 120.985 120.400 -0.139 0.000 2.423 274 D HA 0.138 4.777 4.640 -0.001 0.000 0.208 274 D C 0.505 176.743 176.300 -0.103 0.000 1.068 274 D CA 0.172 54.095 54.000 -0.128 0.000 0.860 274 D CB 0.525 41.233 40.800 -0.152 0.000 0.992 274 D HN 0.339 nan 8.370 nan 0.000 0.504 275 S N 1.385 117.032 115.700 -0.089 0.000 2.738 275 S HA 0.263 4.732 4.470 -0.001 0.000 0.227 275 S C 0.359 174.923 174.600 -0.059 0.000 1.311 275 S CA -0.434 57.742 58.200 -0.041 0.000 1.249 275 S CB -0.306 62.905 63.200 0.019 0.000 1.030 275 S HN 0.228 nan 8.310 nan 0.000 0.512 276 L N -1.768 119.370 121.223 -0.142 0.000 2.362 276 L HA 0.709 5.048 4.340 -0.001 0.000 0.275 276 L C 0.391 177.180 176.870 -0.136 0.000 0.998 276 L CA -0.807 53.901 54.840 -0.219 0.000 0.820 276 L CB 1.596 43.318 42.059 -0.562 0.000 1.270 276 L HN -0.005 nan 8.230 nan 0.000 0.415 277 S N 2.270 117.976 115.700 0.010 0.000 2.321 277 S HA 0.035 4.504 4.470 -0.001 0.000 0.188 277 S C 0.937 175.716 174.600 0.299 0.000 1.080 277 S CA 1.053 59.322 58.200 0.115 0.000 1.198 277 S CB -0.234 63.030 63.200 0.107 0.000 0.926 277 S HN 1.112 nan 8.310 nan 0.000 0.426 278 S N -2.138 113.778 115.700 0.360 0.000 4.678 278 S HA -0.010 4.459 4.470 -0.001 0.000 0.040 278 S C 0.222 174.933 174.600 0.185 0.000 0.860 278 S CA 0.287 58.708 58.200 0.368 0.000 0.927 278 S CB -1.038 62.292 63.200 0.216 0.000 0.365 278 S HN 0.321 nan 8.310 nan 0.000 0.802 279 V N 0.723 120.739 119.914 0.170 0.000 3.245 279 V HA 0.348 4.467 4.120 -0.001 0.000 0.246 279 V C 0.630 176.788 176.094 0.106 0.000 1.487 279 V CA 0.893 63.262 62.300 0.115 0.000 1.154 279 V CB 0.578 32.448 31.823 0.079 0.000 0.971 279 V HN 0.470 nan 8.190 nan 0.000 0.443 280 T N 2.969 117.590 114.554 0.113 0.000 2.780 280 T HA 0.264 4.614 4.350 -0.001 0.000 0.294 280 T C 0.135 174.908 174.700 0.122 0.000 0.949 280 T CA -0.190 61.960 62.100 0.082 0.000 1.074 280 T CB 0.323 69.230 68.868 0.064 0.000 0.910 280 T HN 0.254 nan 8.240 nan 0.000 0.501 281 N N 3.110 121.858 118.700 0.080 0.000 2.434 281 N HA 0.229 4.968 4.740 -0.001 0.000 0.273 281 N C 0.493 176.093 175.510 0.150 0.000 1.210 281 N CA -0.162 52.986 53.050 0.163 0.000 0.992 281 N CB 0.153 38.571 38.487 -0.115 0.000 1.355 281 N HN 0.820 nan 8.380 nan 0.000 0.495 282 A N 2.462 125.382 122.820 0.166 0.000 2.630 282 A HA -0.061 4.258 4.320 -0.001 0.000 0.231 282 A C 0.535 178.187 177.584 0.113 0.000 1.023 282 A CA 0.490 52.588 52.037 0.103 0.000 0.773 282 A CB -0.094 18.940 19.000 0.057 0.000 0.923 282 A HN 0.515 nan 8.150 nan 0.000 0.497 283 T N 3.045 117.662 114.554 0.106 0.000 2.767 283 T HA 0.460 4.809 4.350 -0.001 0.000 0.284 283 T C 0.166 174.961 174.700 0.159 0.000 0.973 283 T CA -0.120 62.051 62.100 0.119 0.000 0.996 283 T CB 0.877 69.814 68.868 0.114 0.000 0.927 283 T HN 0.626 nan 8.240 nan 0.000 0.456 284 S N 2.994 118.785 115.700 0.152 0.000 2.499 284 S HA 0.466 4.936 4.470 -0.001 0.000 0.279 284 S C -0.079 174.684 174.600 0.273 0.000 1.219 284 S CA -0.708 57.607 58.200 0.192 0.000 1.062 284 S CB 0.315 63.561 63.200 0.075 0.000 0.978 284 S HN 0.432 nan 8.310 nan 0.000 0.489 285 I N 2.972 123.716 120.570 0.290 0.000 2.315 285 I HA 0.268 4.437 4.170 -0.001 0.000 0.291 285 I C 0.504 176.733 176.117 0.188 0.000 1.006 285 I CA -0.078 61.393 61.300 0.286 0.000 1.265 285 I CB 1.089 39.332 38.000 0.405 0.000 1.387 285 I HN 0.590 nan 8.210 nan 0.000 0.475 286 Q N 5.750 125.621 119.800 0.117 0.000 2.293 286 Q HA 0.542 4.881 4.340 -0.001 0.000 0.251 286 Q C -1.031 174.892 176.000 -0.128 0.000 0.930 286 Q CA -0.372 55.289 55.803 -0.235 0.000 0.893 286 Q CB 1.061 29.612 28.738 -0.311 0.000 1.215 286 Q HN 0.549 nan 8.270 nan 0.000 0.425 287 I N 3.749 124.224 120.570 -0.159 0.000 2.382 287 I HA 0.201 4.370 4.170 -0.001 0.000 0.285 287 I C 0.570 176.673 176.117 -0.024 0.000 1.007 287 I CA -0.443 60.849 61.300 -0.013 0.000 1.142 287 I CB 1.571 39.613 38.000 0.069 0.000 1.289 287 I HN 0.755 nan 8.210 nan 0.000 0.453 288 T N 3.155 117.656 114.554 -0.088 0.000 2.946 288 T HA 0.788 5.137 4.350 -0.001 0.000 0.295 288 T C 0.983 175.472 174.700 -0.350 0.000 1.143 288 T CA 0.283 62.274 62.100 -0.180 0.000 0.944 288 T CB 1.032 69.800 68.868 -0.166 0.000 1.800 288 T HN 0.814 nan 8.240 nan 0.000 0.590 289 A N 1.265 123.813 122.820 -0.454 0.000 5.868 289 A HA -0.057 4.262 4.320 -0.001 0.000 0.338 289 A C -1.951 175.002 177.584 -1.052 0.000 1.815 289 A CA 0.542 52.219 52.037 -0.599 0.000 0.862 289 A CB -2.885 15.898 19.000 -0.362 0.000 1.325 289 A HN 1.010 nan 8.150 nan 0.000 0.427 290 P HA 0.341 nan 4.420 nan 0.000 0.272 290 P C 0.827 177.902 177.300 -0.376 0.000 1.230 290 P CA 0.685 63.526 63.100 -0.431 0.000 0.788 290 P CB 0.685 32.211 31.700 -0.291 0.000 0.949 291 A N 2.637 125.312 122.820 -0.242 0.000 1.908 291 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 291 A C 2.192 179.668 177.584 -0.179 0.000 1.181 291 A CA 2.489 54.410 52.037 -0.194 0.000 0.627 291 A CB -1.871 17.050 19.000 -0.132 0.000 0.818 291 A HN 0.679 nan 8.150 nan 0.000 0.445 292 S N -2.158 113.459 115.700 -0.138 0.000 2.537 292 S HA -0.052 4.417 4.470 -0.001 0.000 0.240 292 S C 1.492 176.017 174.600 -0.125 0.000 0.981 292 S CA 1.673 59.813 58.200 -0.100 0.000 0.948 292 S CB -0.197 63.014 63.200 0.019 0.000 0.759 292 S HN 0.379 nan 8.310 nan 0.000 0.531 293 M N 0.651 120.109 119.600 -0.236 0.000 2.800 293 M HA 0.493 4.972 4.480 -0.001 0.000 0.257 293 M C 1.583 177.605 176.300 -0.463 0.000 1.309 293 M CA 0.832 55.918 55.300 -0.356 0.000 1.202 293 M CB -0.322 31.922 32.600 -0.594 0.000 1.273 293 M HN 0.227 nan 8.290 nan 0.000 0.528 294 L N 0.754 121.706 121.223 -0.452 0.000 2.353 294 L HA -0.139 4.200 4.340 -0.001 0.000 0.220 294 L C 2.105 178.903 176.870 -0.121 0.000 1.133 294 L CA 0.782 55.448 54.840 -0.290 0.000 0.798 294 L CB -1.054 40.858 42.059 -0.245 0.000 0.922 294 L HN 0.407 nan 8.230 nan 0.000 0.445 295 I N -2.289 118.206 120.570 -0.124 0.000 2.423 295 I HA -0.041 4.128 4.170 -0.001 0.000 0.254 295 I C 1.157 177.249 176.117 -0.041 0.000 1.151 295 I CA 1.170 62.422 61.300 -0.080 0.000 1.421 295 I CB -0.612 37.331 38.000 -0.095 0.000 1.079 295 I HN 0.155 nan 8.210 nan 0.000 0.431 296 G N 0.026 108.820 108.800 -0.010 0.000 2.731 296 G HA2 0.254 4.213 3.960 -0.001 0.000 0.309 296 G HA3 0.254 4.213 3.960 -0.001 0.000 0.309 296 G C -1.769 173.186 174.900 0.092 0.000 1.273 296 G CA -0.534 44.578 45.100 0.019 0.000 0.798 296 G HN 0.054 nan 8.290 nan 0.000 0.509 297 D N 1.434 121.841 120.400 0.011 0.000 2.455 297 D HA 0.400 5.040 4.640 -0.001 0.000 0.241 297 D C 0.330 176.577 176.300 -0.087 0.000 1.138 297 D CA 0.700 54.655 54.000 -0.075 0.000 0.877 297 D CB 0.488 41.208 40.800 -0.135 0.000 1.187 297 D HN 0.551 nan 8.370 nan 0.000 0.451 298 H N -0.727 118.210 119.070 -0.223 0.000 2.928 298 H HA 0.479 5.035 4.556 -0.001 0.000 0.285 298 H C -1.336 173.859 175.328 -0.223 0.000 1.438 298 H CA -0.778 55.137 56.048 -0.222 0.000 1.176 298 H CB 0.500 30.263 29.762 0.001 0.000 1.864 298 H HN 0.287 nan 8.280 nan 0.000 0.567 299 Y N -0.296 120.227 120.300 0.371 0.000 2.581 299 Y HA 0.429 4.978 4.550 -0.001 0.000 0.345 299 Y C -0.675 175.498 175.900 0.454 0.000 1.036 299 Y CA -1.159 57.157 58.100 0.359 0.000 1.042 299 Y CB 1.931 40.456 38.460 0.108 0.000 1.289 299 Y HN 0.509 nan 8.280 nan 0.000 0.471 300 L N 2.585 124.149 121.223 0.568 0.000 2.280 300 L HA 0.487 4.826 4.340 -0.001 0.000 0.287 300 L C 0.235 177.145 176.870 0.067 0.000 1.023 300 L CA -0.453 54.398 54.840 0.018 0.000 0.819 300 L CB 0.566 42.554 42.059 -0.119 0.000 1.212 300 L HN 0.941 nan 8.230 nan 0.000 0.420 301 C N 1.190 120.396 119.300 -0.157 0.000 3.228 301 C HA 0.522 4.982 4.460 -0.001 0.000 0.290 301 C C 0.204 175.016 174.990 -0.297 0.000 1.301 301 C CA -0.354 58.487 59.018 -0.294 0.000 1.703 301 C CB -0.858 26.772 27.740 -0.184 0.000 2.141 301 C HN 0.865 nan 8.230 nan 0.000 0.656 302 D N 0.110 120.372 120.400 -0.231 0.000 2.787 302 D HA 0.325 4.964 4.640 -0.001 0.000 0.215 302 D C -1.825 174.209 176.300 -0.443 0.000 1.246 302 D CA 0.096 53.988 54.000 -0.181 0.000 0.798 302 D CB 2.524 43.213 40.800 -0.185 0.000 1.649 302 D HN 0.299 nan 8.370 nan 0.000 0.507 303 V N 1.752 121.326 119.914 -0.566 0.000 2.623 303 V HA 0.790 4.909 4.120 -0.001 0.000 0.304 303 V C -1.525 174.190 176.094 -0.632 0.000 1.054 303 V CA 0.096 61.870 62.300 -0.876 0.000 0.882 303 V CB 1.800 32.736 31.823 -1.478 0.000 1.002 303 V HN 0.590 nan 8.190 nan 0.000 0.424 304 T N 6.217 120.497 114.554 -0.456 0.000 2.928 304 T HA 0.457 4.807 4.350 -0.001 0.000 0.296 304 T C -1.107 173.484 174.700 -0.181 0.000 1.000 304 T CA -0.134 61.858 62.100 -0.180 0.000 0.989 304 T CB 1.127 69.958 68.868 -0.061 0.000 1.005 304 T HN 0.773 nan 8.240 nan 0.000 0.442 305 W N 1.941 123.216 121.300 -0.041 0.000 2.272 305 W HA 0.517 5.176 4.660 -0.001 0.000 0.318 305 W C 1.096 177.530 176.519 -0.142 0.000 1.255 305 W CA -0.410 56.898 57.345 -0.060 0.000 1.200 305 W CB 0.689 30.184 29.460 0.059 0.000 1.170 305 W HN 0.866 nan 8.180 nan 0.000 0.549 306 A N 2.012 124.714 122.820 -0.195 0.000 1.901 306 A HA 0.192 4.512 4.320 -0.001 0.000 0.210 306 A C 0.909 178.423 177.584 -0.116 0.000 1.208 306 A CA 1.613 53.249 52.037 -0.668 0.000 0.644 306 A CB -0.393 17.698 19.000 -1.514 0.000 0.863 306 A HN 0.536 nan 8.150 nan 0.000 0.454 307 T N -5.711 108.889 114.554 0.077 0.000 2.647 307 T HA 0.341 4.690 4.350 -0.001 0.000 0.295 307 T C 0.120 174.996 174.700 0.293 0.000 1.126 307 T CA -0.363 61.837 62.100 0.167 0.000 1.040 307 T CB 0.651 69.594 68.868 0.125 0.000 1.472 307 T HN -0.037 nan 8.240 nan 0.000 0.500 308 Q N 0.284 120.220 119.800 0.225 0.000 2.291 308 Q HA 0.015 4.354 4.340 -0.001 0.000 0.206 308 Q C 0.931 177.184 176.000 0.422 0.000 0.976 308 Q CA 1.505 57.447 55.803 0.233 0.000 0.875 308 Q CB -0.125 28.709 28.738 0.161 0.000 0.927 308 Q HN 0.822 nan 8.270 nan 0.000 0.450 309 E N -0.424 120.027 120.200 0.419 0.000 2.759 309 E HA 0.182 4.531 4.350 -0.001 0.000 0.220 309 E C -0.175 176.702 176.600 0.462 0.000 0.974 309 E CA -0.169 56.499 56.400 0.448 0.000 1.148 309 E CB 1.098 30.958 29.700 0.267 0.000 1.059 309 E HN -0.042 nan 8.360 nan 0.000 0.493 310 R N 1.741 122.500 120.500 0.433 0.000 2.502 310 R HA 0.507 4.846 4.340 -0.001 0.000 0.300 310 R C -1.546 174.757 176.300 0.004 0.000 0.984 310 R CA -0.389 55.834 56.100 0.205 0.000 0.882 310 R CB 1.298 31.611 30.300 0.023 0.000 1.180 310 R HN 0.068 nan 8.270 nan 0.000 0.444 311 I N 2.568 122.976 120.570 -0.270 0.000 2.740 311 I HA 0.470 4.640 4.170 -0.001 0.000 0.303 311 I C -0.926 174.876 176.117 -0.525 0.000 1.044 311 I CA -0.537 60.325 61.300 -0.730 0.000 1.064 311 I CB 2.284 39.383 38.000 -1.502 0.000 1.249 311 I HN 0.788 nan 8.210 nan 0.000 0.433 312 S N 7.401 122.790 115.700 -0.518 0.000 2.500 312 S HA 0.717 5.186 4.470 -0.001 0.000 0.301 312 S C -1.182 173.109 174.600 -0.514 0.000 1.092 312 S CA -0.825 57.150 58.200 -0.375 0.000 1.030 312 S CB 1.705 64.807 63.200 -0.163 0.000 1.031 312 S HN 0.415 nan 8.310 nan 0.000 0.483 313 L N 2.116 123.041 121.223 -0.495 0.000 2.362 313 L HA 0.600 4.939 4.340 -0.001 0.000 0.271 313 L C -0.145 176.414 176.870 -0.518 0.000 1.002 313 L CA -0.430 53.999 54.840 -0.685 0.000 0.818 313 L CB 1.415 42.973 42.059 -0.835 0.000 1.298 313 L HN 0.860 nan 8.230 nan 0.000 0.420 314 Q N 1.301 120.736 119.800 -0.609 0.000 2.330 314 Q HA 0.465 4.804 4.340 -0.001 0.000 0.269 314 Q C -1.683 174.060 176.000 -0.429 0.000 1.022 314 Q CA -0.417 55.168 55.803 -0.365 0.000 0.796 314 Q CB 2.334 30.915 28.738 -0.261 0.000 1.271 314 Q HN 0.487 nan 8.270 nan 0.000 0.450 315 W N 2.875 124.128 121.300 -0.079 0.000 2.689 315 W HA 0.654 5.313 4.660 -0.001 0.000 0.340 315 W C -0.922 175.625 176.519 0.047 0.000 1.060 315 W CA -0.679 56.671 57.345 0.008 0.000 1.218 315 W CB 1.122 30.569 29.460 -0.021 0.000 1.410 315 W HN 0.393 nan 8.180 nan 0.000 0.528 316 L N 2.431 123.879 121.223 0.375 0.000 2.408 316 L HA 0.579 4.918 4.340 -0.001 0.000 0.268 316 L C -0.097 176.940 176.870 0.278 0.000 0.986 316 L CA -1.051 53.961 54.840 0.287 0.000 0.820 316 L CB 1.422 43.634 42.059 0.255 0.000 1.303 316 L HN 0.417 nan 8.230 nan 0.000 0.411 317 R N 2.215 122.842 120.500 0.213 0.000 2.738 317 R HA 0.194 4.533 4.340 -0.001 0.000 0.268 317 R C 1.012 177.319 176.300 0.011 0.000 1.062 317 R CA -0.001 56.166 56.100 0.110 0.000 1.158 317 R CB 0.482 30.841 30.300 0.098 0.000 1.046 317 R HN 0.657 nan 8.270 nan 0.000 0.493 318 R N 1.300 121.717 120.500 -0.138 0.000 2.159 318 R HA -0.062 4.277 4.340 -0.001 0.000 0.237 318 R C 0.288 176.595 176.300 0.012 0.000 1.131 318 R CA 1.076 57.054 56.100 -0.203 0.000 0.982 318 R CB 0.225 30.400 30.300 -0.209 0.000 0.868 318 R HN 0.372 nan 8.270 nan 0.000 0.453 319 I N 2.995 123.575 120.570 0.016 0.000 2.269 319 I HA 0.039 4.208 4.170 -0.001 0.000 0.293 319 I C -0.061 176.098 176.117 0.069 0.000 1.106 319 I CA 0.101 61.421 61.300 0.034 0.000 1.248 319 I CB 0.947 38.957 38.000 0.016 0.000 1.444 319 I HN 0.230 nan 8.210 nan 0.000 0.497 320 Q N 4.009 123.854 119.800 0.075 0.000 2.892 320 Q HA -0.034 4.306 4.340 -0.001 0.000 0.237 320 Q C 0.632 176.694 176.000 0.103 0.000 1.157 320 Q CA 0.106 55.967 55.803 0.097 0.000 0.939 320 Q CB -0.077 28.685 28.738 0.040 0.000 1.715 320 Q HN 0.434 nan 8.270 nan 0.000 0.451 321 N N -0.494 118.275 118.700 0.114 0.000 2.332 321 N HA 0.020 4.760 4.740 -0.001 0.000 0.190 321 N C -1.212 174.403 175.510 0.175 0.000 1.117 321 N CA 0.295 53.411 53.050 0.110 0.000 0.883 321 N CB 0.724 39.264 38.487 0.088 0.000 1.089 321 N HN 0.331 nan 8.380 nan 0.000 0.480 322 Y N 0.855 121.172 120.300 0.028 0.000 2.373 322 Y HA 0.486 5.035 4.550 -0.001 0.000 0.336 322 Y C -1.028 174.900 175.900 0.046 0.000 0.979 322 Y CA -1.071 57.046 58.100 0.027 0.000 1.080 322 Y CB 1.279 39.747 38.460 0.013 0.000 1.190 322 Y HN -0.065 nan 8.280 nan 0.000 0.446 323 S N 4.728 120.336 115.700 -0.152 0.000 2.557 323 S HA 0.828 5.298 4.470 -0.001 0.000 0.291 323 S C -1.824 172.660 174.600 -0.193 0.000 1.116 323 S CA -0.760 57.398 58.200 -0.069 0.000 0.992 323 S CB 1.514 64.707 63.200 -0.013 0.000 1.028 323 S HN 0.432 nan 8.310 nan 0.000 0.484 324 V N 4.319 124.206 119.914 -0.045 0.000 2.459 324 V HA 0.542 4.661 4.120 -0.001 0.000 0.295 324 V C -0.170 175.958 176.094 0.057 0.000 1.029 324 V CA -0.686 61.592 62.300 -0.037 0.000 0.874 324 V CB 1.702 33.527 31.823 0.004 0.000 0.985 324 V HN 1.032 nan 8.190 nan 0.000 0.438 325 M N 4.012 123.612 119.600 -0.001 0.000 2.268 325 M HA 0.510 4.989 4.480 -0.001 0.000 0.344 325 M C -1.360 174.949 176.300 0.014 0.000 1.106 325 M CA -0.321 54.961 55.300 -0.030 0.000 1.010 325 M CB 1.202 33.727 32.600 -0.125 0.000 1.649 325 M HN 0.589 nan 8.290 nan 0.000 0.443 326 D N 5.287 125.691 120.400 0.007 0.000 2.248 326 D HA 0.519 5.158 4.640 -0.001 0.000 0.246 326 D C -0.998 175.270 176.300 -0.054 0.000 1.027 326 D CA -0.111 53.893 54.000 0.007 0.000 0.853 326 D CB 2.119 42.951 40.800 0.053 0.000 1.243 326 D HN 0.614 nan 8.370 nan 0.000 0.462 327 I N 2.403 122.964 120.570 -0.015 0.000 2.382 327 I HA 0.269 4.439 4.170 -0.001 0.000 0.285 327 I C -0.388 175.724 176.117 -0.009 0.000 1.007 327 I CA -0.576 60.707 61.300 -0.029 0.000 1.142 327 I CB 1.229 39.262 38.000 0.055 0.000 1.289 327 I HN 0.153 nan 8.210 nan 0.000 0.453 328 c N 3.785 122.368 118.600 -0.027 0.000 2.391 328 c HA 0.574 5.143 4.570 -0.001 0.000 0.339 328 c C -0.152 174.071 174.090 0.220 0.000 1.205 328 c CA -0.599 55.783 56.329 0.089 0.000 1.937 328 c CB 1.172 43.739 42.510 0.096 0.000 2.341 328 c HN 0.590 nan 8.230 nan 0.000 0.516 329 D N -0.254 120.271 120.400 0.209 0.000 2.350 329 D HA 0.344 4.984 4.640 -0.001 0.000 0.245 329 D C -0.790 175.429 176.300 -0.135 0.000 1.036 329 D CA -0.247 53.824 54.000 0.117 0.000 0.848 329 D CB 0.878 41.693 40.800 0.025 0.000 1.307 329 D HN 0.558 nan 8.370 nan 0.000 0.469 330 Y N 1.780 121.648 120.300 -0.720 0.000 2.442 330 Y HA 0.178 4.727 4.550 -0.001 0.000 0.330 330 Y C -0.103 175.472 175.900 -0.541 0.000 1.129 330 Y CA 0.053 57.391 58.100 -1.270 0.000 1.365 330 Y CB 0.622 38.280 38.460 -1.337 0.000 1.233 330 Y HN 0.185 nan 8.280 nan 0.000 0.529 331 D N 5.380 125.139 120.400 -1.068 0.000 2.359 331 D HA 0.074 4.713 4.640 -0.001 0.000 0.230 331 D C 0.756 176.515 176.300 -0.901 0.000 1.118 331 D CA -0.096 53.484 54.000 -0.699 0.000 0.844 331 D CB 1.253 41.795 40.800 -0.429 0.000 1.059 331 D HN 0.819 nan 8.370 nan 0.000 0.493 332 E N 1.683 121.562 120.200 -0.534 0.000 2.048 332 E HA -0.186 4.163 4.350 -0.001 0.000 0.202 332 E C 0.965 177.447 176.600 -0.198 0.000 1.021 332 E CA 1.208 57.441 56.400 -0.278 0.000 0.825 332 E CB -0.013 29.650 29.700 -0.062 0.000 0.756 332 E HN 0.270 nan 8.360 nan 0.000 0.454 333 S N -1.301 114.304 115.700 -0.158 0.000 2.667 333 S HA 0.240 4.709 4.470 -0.001 0.000 0.251 333 S C 0.252 174.784 174.600 -0.113 0.000 1.075 333 S CA 0.326 58.468 58.200 -0.097 0.000 1.130 333 S CB -0.213 62.950 63.200 -0.060 0.000 0.795 333 S HN 0.188 nan 8.310 nan 0.000 0.462 334 S N -0.765 114.828 115.700 -0.178 0.000 2.917 334 S HA 0.379 4.848 4.470 -0.001 0.000 0.269 334 S C 1.356 175.875 174.600 -0.136 0.000 1.072 334 S CA 0.117 58.228 58.200 -0.148 0.000 0.967 334 S CB 0.294 63.386 63.200 -0.181 0.000 0.906 334 S HN 0.775 nan 8.310 nan 0.000 0.463 335 G N 2.330 110.969 108.800 -0.269 0.000 2.234 335 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 335 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 335 G C 0.119 174.990 174.900 -0.050 0.000 0.987 335 G CA 0.644 45.692 45.100 -0.088 0.000 0.625 335 G HN 0.583 nan 8.290 nan 0.000 0.532 336 R N -1.118 119.288 120.500 -0.157 0.000 2.541 336 R HA 0.712 5.051 4.340 -0.001 0.000 0.254 336 R C -0.623 175.557 176.300 -0.200 0.000 1.130 336 R CA -0.679 55.410 56.100 -0.018 0.000 1.152 336 R CB 0.372 30.683 30.300 0.018 0.000 1.222 336 R HN 0.207 nan 8.270 nan 0.000 0.579 337 W N -0.337 120.957 121.300 -0.010 0.000 2.587 337 W HA 0.443 5.102 4.660 -0.001 0.000 0.324 337 W C -0.828 175.665 176.519 -0.043 0.000 1.040 337 W CA -0.492 56.841 57.345 -0.020 0.000 1.222 337 W CB 1.378 30.833 29.460 -0.008 0.000 1.381 337 W HN 0.514 nan 8.180 nan 0.000 0.483 338 N N 1.915 120.680 118.700 0.108 0.000 2.342 338 N HA 0.545 5.285 4.740 -0.001 0.000 0.293 338 N C -1.521 174.027 175.510 0.063 0.000 1.026 338 N CA -0.653 52.428 53.050 0.052 0.000 0.857 338 N CB 1.224 39.704 38.487 -0.012 0.000 1.256 338 N HN 0.181 nan 8.380 nan 0.000 0.484 339 c N 2.916 121.540 118.600 0.039 0.000 2.258 339 c HA 0.348 4.917 4.570 -0.001 0.000 0.321 339 c C 0.412 174.502 174.090 -0.000 0.000 1.168 339 c CA -1.072 55.271 56.329 0.022 0.000 1.531 339 c CB -1.191 41.324 42.510 0.008 0.000 2.095 339 c HN 0.612 nan 8.230 nan 0.000 0.449 340 L N 3.603 124.828 121.223 0.003 0.000 2.500 340 L HA 0.161 4.500 4.340 -0.001 0.000 0.272 340 L C 0.710 177.567 176.870 -0.021 0.000 1.149 340 L CA 0.220 55.054 54.840 -0.009 0.000 0.897 340 L CB 0.359 42.417 42.059 -0.001 0.000 1.178 340 L HN 0.588 nan 8.230 nan 0.000 0.473 341 V N 5.349 125.243 119.914 -0.034 0.000 2.763 341 V HA 0.357 4.476 4.120 -0.001 0.000 0.306 341 V C 1.009 177.072 176.094 -0.050 0.000 1.059 341 V CA 0.911 63.182 62.300 -0.048 0.000 1.138 341 V CB 0.855 32.649 31.823 -0.049 0.000 0.940 341 V HN 1.112 nan 8.190 nan 0.000 0.489 342 A N 4.615 127.389 122.820 -0.076 0.000 3.511 342 A HA -0.132 4.188 4.320 -0.001 0.000 0.204 342 A C 1.554 179.078 177.584 -0.100 0.000 0.796 342 A CA 0.831 52.819 52.037 -0.081 0.000 2.125 342 A CB -1.540 17.434 19.000 -0.044 0.000 0.611 342 A HN 0.794 nan 8.150 nan 0.000 0.629 343 R N 0.309 120.772 120.500 -0.062 0.000 2.365 343 R HA 0.139 4.479 4.340 -0.001 0.000 0.223 343 R C 0.647 176.938 176.300 -0.015 0.000 0.899 343 R CA 0.640 56.751 56.100 0.018 0.000 1.059 343 R CB 0.283 30.632 30.300 0.082 0.000 1.086 343 R HN 0.839 nan 8.270 nan 0.000 0.522 344 Q N 0.280 120.007 119.800 -0.121 0.000 2.261 344 Q HA 0.199 4.539 4.340 -0.001 0.000 0.252 344 Q C -1.166 174.670 176.000 -0.274 0.000 0.915 344 Q CA -0.260 55.492 55.803 -0.084 0.000 0.915 344 Q CB 1.069 29.773 28.738 -0.056 0.000 1.204 344 Q HN 0.097 nan 8.270 nan 0.000 0.421 345 H N 1.654 120.692 119.070 -0.053 0.000 2.495 345 H HA 0.504 5.060 4.556 -0.001 0.000 0.348 345 H C -0.794 174.465 175.328 -0.114 0.000 1.113 345 H CA -0.663 55.348 56.048 -0.063 0.000 1.195 345 H CB 1.437 31.139 29.762 -0.100 0.000 1.521 345 H HN 0.588 nan 8.280 nan 0.000 0.509 346 I N 1.696 122.248 120.570 -0.030 0.000 2.437 346 I HA 0.253 4.422 4.170 -0.001 0.000 0.298 346 I C -0.016 176.021 176.117 -0.133 0.000 0.984 346 I CA -0.273 60.919 61.300 -0.180 0.000 1.214 346 I CB 1.357 39.205 38.000 -0.255 0.000 1.365 346 I HN 0.537 nan 8.210 nan 0.000 0.469 347 E N 7.662 127.739 120.200 -0.206 0.000 2.241 347 E HA 0.557 4.907 4.350 -0.001 0.000 0.263 347 E C -1.233 175.283 176.600 -0.139 0.000 0.882 347 E CA -0.663 55.673 56.400 -0.106 0.000 0.769 347 E CB 1.639 31.300 29.700 -0.065 0.000 1.185 347 E HN 0.575 nan 8.360 nan 0.000 0.415 348 M N 0.941 120.503 119.600 -0.063 0.000 2.664 348 M HA 0.672 5.151 4.480 -0.001 0.000 0.279 348 M C -1.353 174.955 176.300 0.014 0.000 1.275 348 M CA -0.819 54.478 55.300 -0.005 0.000 0.829 348 M CB 2.335 34.974 32.600 0.065 0.000 1.727 348 M HN 0.289 nan 8.290 nan 0.000 0.459 349 S N -0.604 115.108 115.700 0.020 0.000 2.546 349 S HA 0.666 5.135 4.470 -0.001 0.000 0.274 349 S C 0.084 174.677 174.600 -0.012 0.000 1.121 349 S CA 0.140 58.332 58.200 -0.013 0.000 0.887 349 S CB 2.015 65.173 63.200 -0.070 0.000 1.094 349 S HN 0.926 nan 8.310 nan 0.000 0.474 350 T N -0.758 113.786 114.554 -0.017 0.000 2.971 350 T HA 0.091 4.440 4.350 -0.001 0.000 0.252 350 T C 1.578 176.260 174.700 -0.031 0.000 1.022 350 T CA 0.809 62.902 62.100 -0.013 0.000 0.980 350 T CB -0.384 68.485 68.868 0.001 0.000 1.044 350 T HN 0.664 nan 8.240 nan 0.000 0.501 351 T N -1.205 113.324 114.554 -0.042 0.000 3.031 351 T HA 0.557 4.906 4.350 -0.001 0.000 0.254 351 T C 1.277 175.862 174.700 -0.193 0.000 1.060 351 T CA 0.606 62.685 62.100 -0.034 0.000 1.135 351 T CB 0.066 68.975 68.868 0.068 0.000 0.896 351 T HN 0.610 nan 8.240 nan 0.000 0.472 352 G N 0.287 108.814 108.800 -0.456 0.000 2.791 352 G HA2 0.490 4.449 3.960 -0.001 0.000 0.158 352 G HA3 0.490 4.449 3.960 -0.001 0.000 0.158 352 G C -1.654 172.959 174.900 -0.479 0.000 1.193 352 G CA -0.575 44.036 45.100 -0.816 0.000 1.032 352 G HN 0.533 nan 8.290 nan 0.000 0.557 353 W N -0.026 120.957 121.300 -0.530 0.000 2.481 353 W HA 0.766 5.425 4.660 -0.002 0.000 0.369 353 W C -0.446 175.993 176.519 -0.135 0.000 1.235 353 W CA -1.356 55.826 57.345 -0.272 0.000 1.344 353 W CB 0.893 30.156 29.460 -0.327 0.000 1.360 353 W HN 0.261 nan 8.180 nan 0.000 0.658 354 V N 3.416 123.373 119.914 0.072 0.000 2.461 354 V HA 0.627 4.746 4.120 -0.001 0.000 0.275 354 V C 0.855 177.000 176.094 0.086 0.000 1.047 354 V CA 0.636 62.950 62.300 0.023 0.000 0.955 354 V CB -0.100 31.746 31.823 0.038 0.000 0.988 354 V HN 1.275 nan 8.190 nan 0.000 0.471 355 G N 5.376 114.185 108.800 0.015 0.000 2.795 355 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.664 355 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.664 355 G C 0.365 175.325 174.900 0.100 0.000 1.381 355 G CA 0.166 45.300 45.100 0.058 0.000 0.853 355 G HN 0.625 nan 8.290 nan 0.000 0.545 356 R N -0.779 119.778 120.500 0.095 0.000 2.055 356 R HA 0.131 4.470 4.340 -0.001 0.000 0.228 356 R C 1.956 178.192 176.300 -0.107 0.000 1.143 356 R CA 2.128 58.244 56.100 0.027 0.000 0.945 356 R CB -0.101 30.253 30.300 0.091 0.000 0.841 356 R HN 0.473 nan 8.270 nan 0.000 0.429 357 F N -0.761 119.310 119.950 0.202 0.000 2.831 357 F HA 0.269 4.795 4.527 -0.001 0.000 0.334 357 F C 0.329 176.147 175.800 0.030 0.000 1.071 357 F CA -0.468 57.605 58.000 0.121 0.000 1.172 357 F CB 0.798 39.869 39.000 0.118 0.000 1.054 357 F HN -0.064 nan 8.300 nan 0.000 0.572 358 R N -1.272 119.340 120.500 0.186 0.000 2.825 358 R HA 0.358 4.697 4.340 -0.001 0.000 0.274 358 R C -3.401 172.939 176.300 0.067 0.000 1.026 358 R CA -1.722 54.422 56.100 0.073 0.000 0.867 358 R CB 0.171 30.469 30.300 -0.004 0.000 1.268 358 R HN -0.353 nan 8.270 nan 0.000 0.491 359 P HA -0.026 nan 4.420 nan 0.000 0.264 359 P C -0.255 177.050 177.300 0.008 0.000 1.183 359 P CA 0.237 63.341 63.100 0.007 0.000 0.763 359 P CB 0.728 32.408 31.700 -0.032 0.000 0.807 360 S N 1.756 117.474 115.700 0.029 0.000 2.576 360 S HA 0.048 4.518 4.470 -0.001 0.000 0.272 360 S C 0.130 174.729 174.600 -0.000 0.000 1.352 360 S CA -0.655 57.577 58.200 0.052 0.000 1.021 360 S CB 0.510 63.762 63.200 0.086 0.000 0.887 360 S HN 0.581 nan 8.310 nan 0.000 0.542 361 E N 1.851 122.061 120.200 0.017 0.000 2.313 361 E HA 0.354 4.703 4.350 -0.001 0.000 0.272 361 E C -2.498 174.037 176.600 -0.110 0.000 1.038 361 E CA -2.349 54.006 56.400 -0.075 0.000 0.863 361 E CB 0.870 30.532 29.700 -0.063 0.000 1.060 361 E HN 0.492 nan 8.360 nan 0.000 0.402 362 P HA 0.195 nan 4.420 nan 0.000 0.281 362 P C -1.141 175.929 177.300 -0.383 0.000 1.249 362 P CA -0.292 62.595 63.100 -0.355 0.000 0.810 362 P CB 0.908 32.050 31.700 -0.931 0.000 1.008 363 H N 2.079 121.112 119.070 -0.062 0.000 2.762 363 H HA 0.296 4.852 4.556 -0.001 0.000 0.310 363 H C -0.327 175.096 175.328 0.158 0.000 1.004 363 H CA -0.311 55.801 56.048 0.107 0.000 1.267 363 H CB 0.344 30.210 29.762 0.173 0.000 1.437 363 H HN 0.310 nan 8.280 nan 0.000 0.498 364 F N 1.811 121.959 119.950 0.330 0.000 2.389 364 F HA 0.095 4.621 4.527 -0.001 0.000 0.337 364 F C 1.572 177.571 175.800 0.333 0.000 1.112 364 F CA -0.516 57.688 58.000 0.340 0.000 1.192 364 F CB 1.026 40.156 39.000 0.218 0.000 1.185 364 F HN 0.352 nan 8.300 nan 0.000 0.552 365 T N 0.509 115.383 114.554 0.534 0.000 2.828 365 T HA 0.147 4.496 4.350 -0.001 0.000 0.290 365 T C 1.133 176.029 174.700 0.327 0.000 1.019 365 T CA -0.824 61.517 62.100 0.402 0.000 1.031 365 T CB 0.899 69.993 68.868 0.378 0.000 1.001 365 T HN 0.600 nan 8.240 nan 0.000 0.531 366 L N 1.520 122.888 121.223 0.243 0.000 2.010 366 L HA -0.199 4.140 4.340 -0.001 0.000 0.219 366 L C 2.048 179.027 176.870 0.182 0.000 1.077 366 L CA 2.738 57.694 54.840 0.193 0.000 0.773 366 L CB -1.127 41.022 42.059 0.149 0.000 0.892 366 L HN 0.973 nan 8.230 nan 0.000 0.436 367 D N -1.312 119.196 120.400 0.179 0.000 2.378 367 D HA 0.074 4.713 4.640 -0.001 0.000 0.227 367 D C 1.611 178.011 176.300 0.166 0.000 1.012 367 D CA 0.759 54.852 54.000 0.155 0.000 0.905 367 D CB -0.694 40.189 40.800 0.138 0.000 0.895 367 D HN 0.514 nan 8.370 nan 0.000 0.532 368 G N 0.379 109.313 108.800 0.224 0.000 2.187 368 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.261 368 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.261 368 G C 0.696 175.768 174.900 0.285 0.000 1.000 368 G CA 0.564 45.800 45.100 0.227 0.000 0.718 368 G HN 0.535 nan 8.290 nan 0.000 0.519 369 N N -0.222 118.636 118.700 0.264 0.000 2.336 369 N HA 0.300 5.040 4.740 -0.001 0.000 0.189 369 N C 0.734 176.377 175.510 0.220 0.000 1.113 369 N CA 0.524 53.704 53.050 0.217 0.000 0.858 369 N CB 0.246 38.820 38.487 0.146 0.000 0.970 369 N HN 0.656 nan 8.380 nan 0.000 0.471 370 S N -0.236 115.644 115.700 0.300 0.000 2.615 370 S HA 0.685 5.154 4.470 -0.001 0.000 0.269 370 S C -1.311 173.436 174.600 0.244 0.000 1.161 370 S CA -1.070 57.192 58.200 0.104 0.000 0.817 370 S CB 1.481 64.645 63.200 -0.060 0.000 1.131 370 S HN 0.165 nan 8.310 nan 0.000 0.467 371 F N -2.007 117.856 119.950 -0.144 0.000 2.741 371 F HA 0.824 5.350 4.527 -0.001 0.000 0.311 371 F C -2.412 173.272 175.800 -0.194 0.000 1.149 371 F CA -1.501 56.365 58.000 -0.224 0.000 0.930 371 F CB 0.476 38.967 39.000 -0.848 0.000 1.312 371 F HN 0.623 nan 8.300 nan 0.000 0.450 372 Y N 1.101 121.559 120.300 0.264 0.000 2.429 372 Y HA 0.732 5.282 4.550 -0.001 0.000 0.342 372 Y C -0.560 175.508 175.900 0.281 0.000 1.004 372 Y CA -1.017 57.215 58.100 0.220 0.000 1.075 372 Y CB 2.252 40.778 38.460 0.110 0.000 1.214 372 Y HN 0.739 nan 8.280 nan 0.000 0.455 373 K N 0.962 121.590 120.400 0.379 0.000 2.568 373 K HA 0.628 4.948 4.320 -0.001 0.000 0.273 373 K C -1.877 174.851 176.600 0.213 0.000 0.951 373 K CA -0.740 55.720 56.287 0.289 0.000 0.854 373 K CB 1.599 34.222 32.500 0.206 0.000 1.424 373 K HN 0.578 nan 8.250 nan 0.000 0.427 374 I N 3.904 124.574 120.570 0.166 0.000 2.379 374 I HA 0.283 4.453 4.170 -0.001 0.000 0.290 374 I C 0.135 176.329 176.117 0.129 0.000 1.063 374 I CA -0.487 60.890 61.300 0.127 0.000 1.351 374 I CB 0.056 38.112 38.000 0.094 0.000 1.410 374 I HN 0.609 nan 8.210 nan 0.000 0.505 375 I N 2.040 122.717 120.570 0.177 0.000 3.042 375 I HA 0.534 4.703 4.170 -0.001 0.000 0.310 375 I C -0.144 176.077 176.117 0.174 0.000 1.117 375 I CA -0.825 60.579 61.300 0.174 0.000 1.003 375 I CB 2.084 40.215 38.000 0.218 0.000 1.228 375 I HN 0.336 nan 8.210 nan 0.000 0.443 376 S N 2.180 117.931 115.700 0.085 0.000 2.548 376 S HA 0.237 4.706 4.470 -0.001 0.000 0.277 376 S C 0.113 174.718 174.600 0.007 0.000 1.315 376 S CA -0.316 57.873 58.200 -0.018 0.000 1.050 376 S CB -0.012 63.131 63.200 -0.096 0.000 0.918 376 S HN 0.684 nan 8.310 nan 0.000 0.497 377 N N 1.815 120.421 118.700 -0.156 0.000 2.288 377 N HA 0.065 4.804 4.740 -0.001 0.000 0.237 377 N C 0.911 176.315 175.510 -0.178 0.000 1.311 377 N CA -0.070 52.773 53.050 -0.345 0.000 0.909 377 N CB 0.490 38.800 38.487 -0.295 0.000 1.167 377 N HN 0.775 nan 8.380 nan 0.000 0.476 378 E N 0.225 120.309 120.200 -0.193 0.000 2.358 378 E HA -0.076 4.274 4.350 -0.001 0.000 0.195 378 E C 0.900 177.451 176.600 -0.083 0.000 1.010 378 E CA 0.889 57.235 56.400 -0.090 0.000 0.856 378 E CB 0.056 29.714 29.700 -0.070 0.000 0.795 378 E HN 0.658 nan 8.360 nan 0.000 0.504 379 E N -1.287 118.860 120.200 -0.090 0.000 2.474 379 E HA 0.089 4.439 4.350 -0.001 0.000 0.195 379 E C 0.719 177.318 176.600 -0.002 0.000 1.039 379 E CA 0.592 56.985 56.400 -0.012 0.000 0.881 379 E CB 0.064 29.775 29.700 0.018 0.000 0.970 379 E HN 0.266 nan 8.360 nan 0.000 0.486 380 G N 0.352 109.086 108.800 -0.110 0.000 2.157 380 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.239 380 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.239 380 G C -0.515 174.115 174.900 -0.451 0.000 0.982 380 G CA 0.319 45.249 45.100 -0.284 0.000 0.650 380 G HN 0.241 nan 8.290 nan 0.000 0.527 381 Y N 0.255 120.404 120.300 -0.252 0.000 2.360 381 Y HA 0.664 5.213 4.550 -0.001 0.000 0.337 381 Y C 1.076 176.754 175.900 -0.370 0.000 1.039 381 Y CA -1.015 56.900 58.100 -0.308 0.000 1.109 381 Y CB 1.098 39.376 38.460 -0.304 0.000 1.201 381 Y HN 0.076 nan 8.280 nan 0.000 0.458 382 R N 3.591 123.910 120.500 -0.301 0.000 2.296 382 R HA 0.269 4.608 4.340 -0.001 0.000 0.323 382 R C -0.803 175.170 176.300 -0.545 0.000 1.067 382 R CA -0.016 55.915 56.100 -0.282 0.000 0.946 382 R CB 0.085 30.280 30.300 -0.176 0.000 0.991 382 R HN 0.645 nan 8.270 nan 0.000 0.448 383 H N 1.683 120.707 119.070 -0.077 0.000 2.946 383 H HA 0.321 4.876 4.556 -0.001 0.000 0.365 383 H C -0.085 175.292 175.328 0.083 0.000 1.197 383 H CA -0.938 55.047 56.048 -0.106 0.000 1.131 383 H CB 1.566 31.180 29.762 -0.247 0.000 1.849 383 H HN 0.337 nan 8.280 nan 0.000 0.555 384 I N 1.421 122.060 120.570 0.115 0.000 2.452 384 I HA 0.009 4.178 4.170 -0.001 0.000 0.287 384 I C 0.433 176.576 176.117 0.043 0.000 1.079 384 I CA 0.247 61.580 61.300 0.055 0.000 1.387 384 I CB 0.212 38.154 38.000 -0.097 0.000 1.404 384 I HN 0.139 nan 8.210 nan 0.000 0.522 385 c N 7.374 125.948 118.600 -0.044 0.000 2.411 385 c HA 0.425 4.994 4.570 -0.001 0.000 0.330 385 c C -0.328 173.609 174.090 -0.256 0.000 1.224 385 c CA -0.463 55.617 56.329 -0.414 0.000 1.770 385 c CB 1.040 43.075 42.510 -0.791 0.000 2.297 385 c HN 0.623 nan 8.230 nan 0.000 0.507 386 Y N 4.515 124.444 120.300 -0.619 0.000 2.335 386 Y HA 0.668 5.218 4.550 -0.001 0.000 0.339 386 Y C -1.011 174.367 175.900 -0.870 0.000 0.987 386 Y CA -0.967 56.712 58.100 -0.703 0.000 1.140 386 Y CB 0.260 38.405 38.460 -0.525 0.000 1.173 386 Y HN 0.606 nan 8.280 nan 0.000 0.486 387 F N 3.308 122.514 119.950 -1.240 0.000 2.522 387 F HA 0.475 5.001 4.527 -0.001 0.000 0.324 387 F C -0.245 174.826 175.800 -1.215 0.000 1.077 387 F CA -0.998 56.223 58.000 -1.298 0.000 0.944 387 F CB 1.664 39.572 39.000 -1.821 0.000 1.175 387 F HN 0.272 nan 8.300 nan 0.000 0.468 388 Q N 2.017 121.500 119.800 -0.528 0.000 2.290 388 Q HA 0.365 4.705 4.340 -0.001 0.000 0.259 388 Q C 1.026 177.020 176.000 -0.011 0.000 0.941 388 Q CA -0.226 55.404 55.803 -0.289 0.000 0.912 388 Q CB 1.336 29.953 28.738 -0.203 0.000 1.244 388 Q HN 0.687 nan 8.270 nan 0.000 0.441 389 I N -0.473 120.178 120.570 0.135 0.000 2.502 389 I HA -0.170 3.999 4.170 -0.001 0.000 0.258 389 I C 0.534 176.873 176.117 0.369 0.000 1.172 389 I CA 1.490 63.020 61.300 0.382 0.000 1.430 389 I CB -0.040 38.191 38.000 0.383 0.000 1.086 389 I HN 0.450 nan 8.210 nan 0.000 0.440 390 D N 0.773 121.285 120.400 0.186 0.000 2.559 390 D HA 0.223 4.862 4.640 -0.001 0.000 0.234 390 D C -0.118 176.209 176.300 0.044 0.000 1.226 390 D CA -0.317 53.738 54.000 0.092 0.000 0.830 390 D CB 0.255 41.087 40.800 0.053 0.000 1.028 390 D HN 0.312 nan 8.370 nan 0.000 0.492 391 K N 0.592 121.053 120.400 0.102 0.000 2.471 391 K HA 0.229 4.548 4.320 -0.001 0.000 0.252 391 K C 1.122 177.786 176.600 0.106 0.000 0.938 391 K CA -0.696 55.615 56.287 0.040 0.000 0.796 391 K CB 2.430 34.916 32.500 -0.024 0.000 1.161 391 K HN -0.147 nan 8.250 nan 0.000 0.425 392 K N 0.755 121.165 120.400 0.016 0.000 2.009 392 K HA -0.075 4.244 4.320 -0.001 0.000 0.210 392 K C -0.058 176.602 176.600 0.100 0.000 1.049 392 K CA 1.185 57.499 56.287 0.044 0.000 0.929 392 K CB -0.025 32.466 32.500 -0.014 0.000 0.714 392 K HN 0.362 nan 8.250 nan 0.000 0.440 393 D N 1.058 121.443 120.400 -0.026 0.000 2.255 393 D HA 0.150 4.789 4.640 -0.001 0.000 0.249 393 D C -0.013 176.075 176.300 -0.352 0.000 1.078 393 D CA -0.336 53.583 54.000 -0.135 0.000 0.896 393 D CB 1.466 42.196 40.800 -0.117 0.000 1.194 393 D HN 0.442 nan 8.370 nan 0.000 0.429 394 c N -0.057 118.170 118.600 -0.623 0.000 2.531 394 c HA 0.823 5.392 4.570 -0.001 0.000 0.369 394 c C 0.061 173.745 174.090 -0.677 0.000 1.258 394 c CA -0.591 55.126 56.329 -1.021 0.000 1.876 394 c CB 1.195 42.402 42.510 -2.170 0.000 2.256 394 c HN 0.477 nan 8.230 nan 0.000 0.510 395 T N 1.707 115.900 114.554 -0.601 0.000 2.809 395 T HA 0.479 4.828 4.350 -0.001 0.000 0.284 395 T C -0.731 173.758 174.700 -0.352 0.000 0.992 395 T CA 0.143 62.054 62.100 -0.316 0.000 0.957 395 T CB 0.336 69.164 68.868 -0.068 0.000 0.942 395 T HN 0.478 nan 8.240 nan 0.000 0.439 396 F N 3.233 123.079 119.950 -0.175 0.000 2.529 396 F HA 0.243 4.769 4.527 -0.001 0.000 0.365 396 F C 1.678 177.324 175.800 -0.256 0.000 1.102 396 F CA -0.749 57.132 58.000 -0.199 0.000 1.271 396 F CB 0.457 39.345 39.000 -0.187 0.000 1.120 396 F HN 0.585 nan 8.300 nan 0.000 0.579 397 I N -0.798 119.644 120.570 -0.214 0.000 4.057 397 I HA 0.229 4.399 4.170 -0.001 0.000 0.334 397 I C 0.185 176.115 176.117 -0.311 0.000 1.308 397 I CA 0.113 61.068 61.300 -0.576 0.000 1.125 397 I CB 0.095 37.430 38.000 -1.109 0.000 1.034 397 I HN 0.500 nan 8.210 nan 0.000 0.401 398 T N 0.273 114.693 114.554 -0.223 0.000 2.906 398 T HA 0.713 5.063 4.350 -0.001 0.000 0.295 398 T C -0.697 173.573 174.700 -0.718 0.000 1.075 398 T CA -0.685 61.245 62.100 -0.284 0.000 1.005 398 T CB 2.690 71.449 68.868 -0.181 0.000 1.136 398 T HN 0.489 nan 8.240 nan 0.000 0.498 399 K N -0.299 119.510 120.400 -0.984 0.000 2.607 399 K HA 0.772 5.091 4.320 -0.001 0.000 0.287 399 K C -0.491 175.502 176.600 -1.012 0.000 0.996 399 K CA -0.932 54.562 56.287 -1.322 0.000 0.876 399 K CB 1.339 33.472 32.500 -0.611 0.000 1.496 399 K HN 1.586 nan 8.250 nan 0.000 0.415 400 G N -0.083 108.208 108.800 -0.849 0.000 2.351 400 G HA2 0.092 4.051 3.960 -0.001 0.000 0.353 400 G HA3 0.092 4.051 3.960 -0.001 0.000 0.353 400 G C -0.735 173.689 174.900 -0.792 0.000 1.358 400 G CA -0.357 44.397 45.100 -0.577 0.000 0.995 400 G HN 1.003 nan 8.290 nan 0.000 0.611 401 T N -0.595 113.630 114.554 -0.549 0.000 3.591 401 T HA 0.565 4.914 4.350 -0.001 0.000 0.232 401 T C 0.189 174.742 174.700 -0.245 0.000 1.116 401 T CA 0.447 62.034 62.100 -0.855 0.000 1.063 401 T CB -0.891 67.700 68.868 -0.462 0.000 1.227 401 T HN 1.440 nan 8.240 nan 0.000 0.685 402 W N -0.392 120.780 121.300 -0.215 0.000 2.959 402 W HA 0.651 5.311 4.660 -0.002 0.000 0.358 402 W C -1.427 175.087 176.519 -0.009 0.000 1.228 402 W CA -0.988 56.352 57.345 -0.009 0.000 1.183 402 W CB 0.652 30.095 29.460 -0.028 0.000 1.467 402 W HN 0.137 nan 8.180 nan 0.000 0.578 403 E N 0.772 121.125 120.200 0.254 0.000 2.288 403 E HA 0.441 4.790 4.350 -0.001 0.000 0.268 403 E C -1.192 175.500 176.600 0.154 0.000 0.885 403 E CA -1.201 55.164 56.400 -0.059 0.000 0.767 403 E CB 3.421 33.127 29.700 0.010 0.000 1.220 403 E HN 0.142 nan 8.360 nan 0.000 0.427 404 V N 4.101 123.978 119.914 -0.062 0.000 2.455 404 V HA -0.005 4.115 4.120 -0.001 0.000 0.273 404 V C 1.228 177.399 176.094 0.129 0.000 1.045 404 V CA 0.026 62.388 62.300 0.103 0.000 0.976 404 V CB 0.459 32.230 31.823 -0.088 0.000 0.993 404 V HN 0.685 nan 8.190 nan 0.000 0.475 405 I N 3.645 124.331 120.570 0.194 0.000 2.333 405 I HA 0.197 4.366 4.170 -0.001 0.000 0.246 405 I C 1.151 177.382 176.117 0.190 0.000 1.106 405 I CA 1.196 62.612 61.300 0.194 0.000 1.411 405 I CB -0.868 37.201 38.000 0.116 0.000 1.082 405 I HN 0.721 nan 8.210 nan 0.000 0.420 406 G N 0.623 109.535 108.800 0.187 0.000 2.667 406 G HA2 0.544 4.503 3.960 -0.001 0.000 0.294 406 G HA3 0.544 4.503 3.960 -0.001 0.000 0.294 406 G C -1.173 173.815 174.900 0.147 0.000 1.467 406 G CA -0.562 44.639 45.100 0.170 0.000 0.852 406 G HN -0.027 nan 8.290 nan 0.000 0.521 407 I N 1.799 122.389 120.570 0.032 0.000 2.352 407 I HA 0.224 4.394 4.170 -0.001 0.000 0.290 407 I C 0.655 176.699 176.117 -0.120 0.000 1.036 407 I CA -0.497 60.712 61.300 -0.152 0.000 1.336 407 I CB 1.619 39.253 38.000 -0.610 0.000 1.407 407 I HN 0.510 nan 8.210 nan 0.000 0.497 408 E N 4.984 125.168 120.200 -0.027 0.000 2.340 408 E HA 0.320 4.670 4.350 -0.001 0.000 0.198 408 E C 0.239 176.721 176.600 -0.196 0.000 0.961 408 E CA 0.215 56.621 56.400 0.009 0.000 0.905 408 E CB 0.882 30.675 29.700 0.156 0.000 0.884 408 E HN 0.695 nan 8.360 nan 0.000 0.491 409 A N 0.575 123.189 122.820 -0.342 0.000 2.608 409 A HA 0.631 4.950 4.320 -0.001 0.000 0.292 409 A C -2.007 175.469 177.584 -0.180 0.000 1.066 409 A CA -0.640 51.116 52.037 -0.468 0.000 0.676 409 A CB 1.347 19.504 19.000 -1.406 0.000 1.277 409 A HN 0.038 nan 8.150 nan 0.000 0.413 410 L N 1.103 122.267 121.223 -0.098 0.000 2.516 410 L HA 0.757 5.096 4.340 -0.001 0.000 0.267 410 L C 0.100 176.995 176.870 0.041 0.000 0.957 410 L CA 0.548 55.382 54.840 -0.011 0.000 0.860 410 L CB 2.010 44.076 42.059 0.013 0.000 1.265 410 L HN 1.271 nan 8.230 nan 0.000 0.403 411 T N -0.269 114.336 114.554 0.084 0.000 2.804 411 T HA 0.453 4.802 4.350 -0.001 0.000 0.272 411 T C 1.014 175.764 174.700 0.083 0.000 0.986 411 T CA 0.111 62.271 62.100 0.100 0.000 0.999 411 T CB 1.130 70.095 68.868 0.163 0.000 1.307 411 T HN 0.654 nan 8.240 nan 0.000 0.586 412 S N -0.855 114.893 115.700 0.081 0.000 2.461 412 S HA -0.030 4.439 4.470 -0.001 0.000 0.228 412 S C 1.124 175.732 174.600 0.013 0.000 1.005 412 S CA 0.716 58.952 58.200 0.060 0.000 0.942 412 S CB -0.464 62.772 63.200 0.061 0.000 0.776 412 S HN 0.676 nan 8.310 nan 0.000 0.514 413 D N -0.400 120.017 120.400 0.028 0.000 2.338 413 D HA 0.247 4.886 4.640 -0.001 0.000 0.224 413 D C -0.342 175.761 176.300 -0.328 0.000 0.967 413 D CA 0.821 54.766 54.000 -0.091 0.000 0.896 413 D CB 0.336 41.197 40.800 0.102 0.000 1.028 413 D HN 0.389 nan 8.370 nan 0.000 0.493 414 Y N -0.578 119.669 120.300 -0.088 0.000 2.665 414 Y HA 0.460 5.009 4.550 -0.001 0.000 0.336 414 Y C -0.426 175.313 175.900 -0.268 0.000 1.085 414 Y CA -1.088 56.871 58.100 -0.235 0.000 1.096 414 Y CB 1.877 40.058 38.460 -0.465 0.000 1.301 414 Y HN -0.275 nan 8.280 nan 0.000 0.493 415 L N 2.187 123.293 121.223 -0.194 0.000 2.406 415 L HA 0.510 4.849 4.340 -0.001 0.000 0.272 415 L C -2.082 174.664 176.870 -0.206 0.000 0.980 415 L CA -0.744 53.965 54.840 -0.217 0.000 0.831 415 L CB 0.746 42.580 42.059 -0.376 0.000 1.253 415 L HN 0.652 nan 8.230 nan 0.000 0.406 416 Y N 5.494 125.712 120.300 -0.136 0.000 2.361 416 Y HA 0.618 5.167 4.550 -0.001 0.000 0.332 416 Y C -0.097 175.800 175.900 -0.004 0.000 1.101 416 Y CA -0.343 57.680 58.100 -0.129 0.000 1.137 416 Y CB 1.464 39.757 38.460 -0.278 0.000 1.207 416 Y HN 0.563 nan 8.280 nan 0.000 0.463 417 Y N 0.156 120.509 120.300 0.089 0.000 2.656 417 Y HA 0.747 5.296 4.550 -0.001 0.000 0.334 417 Y C -1.986 173.995 175.900 0.135 0.000 1.179 417 Y CA -1.837 56.304 58.100 0.068 0.000 1.050 417 Y CB 0.981 39.451 38.460 0.017 0.000 1.308 417 Y HN 0.321 nan 8.280 nan 0.000 0.456 418 I N 3.109 123.869 120.570 0.317 0.000 2.460 418 I HA 0.693 4.862 4.170 -0.001 0.000 0.298 418 I C -0.148 176.165 176.117 0.326 0.000 0.989 418 I CA -0.406 61.029 61.300 0.224 0.000 1.173 418 I CB 1.674 39.756 38.000 0.137 0.000 1.338 418 I HN 0.917 nan 8.210 nan 0.000 0.456 419 S N 3.296 119.138 115.700 0.237 0.000 2.643 419 S HA 0.435 4.904 4.470 -0.001 0.000 0.270 419 S C -0.719 173.940 174.600 0.099 0.000 1.166 419 S CA -0.864 57.471 58.200 0.224 0.000 0.815 419 S CB 1.873 65.263 63.200 0.317 0.000 1.139 419 S HN 0.603 nan 8.310 nan 0.000 0.472 420 N N -0.379 118.387 118.700 0.110 0.000 2.538 420 N HA 0.222 4.961 4.740 -0.001 0.000 0.291 420 N C 0.321 175.823 175.510 -0.012 0.000 1.323 420 N CA -0.514 52.550 53.050 0.023 0.000 0.934 420 N CB 0.536 39.018 38.487 -0.007 0.000 1.255 420 N HN 0.783 nan 8.380 nan 0.000 0.509 421 E N -0.092 119.972 120.200 -0.226 0.000 2.028 421 E HA -0.137 4.213 4.350 -0.001 0.000 0.190 421 E C -0.360 176.102 176.600 -0.230 0.000 0.984 421 E CA 0.156 56.189 56.400 -0.611 0.000 0.800 421 E CB -0.033 28.737 29.700 -1.550 0.000 0.758 421 E HN 0.384 nan 8.360 nan 0.000 0.448 422 Y N 1.890 122.091 120.300 -0.164 0.000 2.944 422 Y HA -0.205 4.344 4.550 -0.001 0.000 0.340 422 Y C 0.466 176.320 175.900 -0.077 0.000 1.275 422 Y CA 0.913 58.962 58.100 -0.084 0.000 1.590 422 Y CB 0.151 38.587 38.460 -0.040 0.000 1.218 422 Y HN 0.108 nan 8.280 nan 0.000 0.576 423 K N 3.118 123.225 120.400 -0.489 0.000 3.274 423 K HA -0.234 4.085 4.320 -0.001 0.000 0.305 423 K C 0.883 177.401 176.600 -0.136 0.000 1.225 423 K CA 1.351 57.417 56.287 -0.368 0.000 0.904 423 K CB -1.688 30.567 32.500 -0.408 0.000 1.227 423 K HN 1.349 nan 8.250 nan 0.000 0.453 424 G N 0.234 108.968 108.800 -0.110 0.000 2.212 424 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.267 424 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.267 424 G C 0.064 174.921 174.900 -0.072 0.000 1.002 424 G CA 0.923 45.999 45.100 -0.041 0.000 0.729 424 G HN 0.513 nan 8.290 nan 0.000 0.517 425 M N -1.683 117.798 119.600 -0.199 0.000 2.061 425 M HA 0.505 4.985 4.480 -0.001 0.000 0.346 425 M C -1.739 174.249 176.300 -0.520 0.000 1.112 425 M CA -2.155 52.788 55.300 -0.594 0.000 1.021 425 M CB 1.675 33.956 32.600 -0.533 0.000 1.530 425 M HN -0.155 nan 8.290 nan 0.000 0.437 426 P HA -0.084 nan 4.420 nan 0.000 0.220 426 P C 1.314 178.446 177.300 -0.281 0.000 1.144 426 P CA 1.461 64.358 63.100 -0.339 0.000 0.800 426 P CB 0.056 31.559 31.700 -0.329 0.000 0.772 427 G N -1.278 107.297 108.800 -0.375 0.000 3.141 427 G HA2 0.277 4.236 3.960 -0.001 0.000 0.218 427 G HA3 0.277 4.236 3.960 -0.001 0.000 0.218 427 G C 0.603 175.475 174.900 -0.047 0.000 1.170 427 G CA 0.098 45.106 45.100 -0.153 0.000 0.769 427 G HN 0.391 nan 8.290 nan 0.000 0.546 428 G N -0.197 108.522 108.800 -0.135 0.000 2.454 428 G HA2 0.646 4.605 3.960 -0.001 0.000 0.329 428 G HA3 0.646 4.605 3.960 -0.001 0.000 0.329 428 G C -0.896 173.856 174.900 -0.247 0.000 1.177 428 G CA -0.767 44.274 45.100 -0.098 0.000 0.951 428 G HN 0.062 nan 8.290 nan 0.000 0.485 429 R N 1.079 121.384 120.500 -0.326 0.000 2.575 429 R HA 0.481 4.820 4.340 -0.001 0.000 0.293 429 R C -1.165 175.100 176.300 -0.058 0.000 0.983 429 R CA -0.847 55.067 56.100 -0.309 0.000 0.887 429 R CB 2.048 31.941 30.300 -0.677 0.000 1.184 429 R HN 0.601 nan 8.270 nan 0.000 0.445 430 N N 1.494 120.193 118.700 -0.002 0.000 2.329 430 N HA 0.309 5.048 4.740 -0.001 0.000 0.282 430 N C -1.278 174.168 175.510 -0.108 0.000 1.198 430 N CA -0.808 52.173 53.050 -0.116 0.000 0.790 430 N CB 2.737 41.060 38.487 -0.273 0.000 1.579 430 N HN 0.236 nan 8.380 nan 0.000 0.475 431 L N 2.015 123.028 121.223 -0.351 0.000 2.326 431 L HA 0.488 4.827 4.340 -0.001 0.000 0.278 431 L C -1.387 175.192 176.870 -0.485 0.000 1.092 431 L CA 0.117 54.790 54.840 -0.279 0.000 0.810 431 L CB -0.010 41.867 42.059 -0.303 0.000 1.153 431 L HN 0.418 nan 8.230 nan 0.000 0.439 432 Y N 2.975 122.947 120.300 -0.547 0.000 2.581 432 Y HA 0.600 5.149 4.550 -0.001 0.000 0.345 432 Y C -0.619 174.923 175.900 -0.596 0.000 1.036 432 Y CA -1.007 56.700 58.100 -0.655 0.000 1.042 432 Y CB 1.685 39.539 38.460 -1.011 0.000 1.289 432 Y HN 0.563 nan 8.280 nan 0.000 0.471 433 K N 2.272 122.498 120.400 -0.289 0.000 2.443 433 K HA 0.759 5.078 4.320 -0.001 0.000 0.252 433 K C -1.929 174.623 176.600 -0.080 0.000 0.933 433 K CA -0.659 55.382 56.287 -0.411 0.000 0.792 433 K CB 2.615 34.642 32.500 -0.789 0.000 1.185 433 K HN 0.767 nan 8.250 nan 0.000 0.425 434 I N 1.989 122.584 120.570 0.042 0.000 2.474 434 I HA 0.205 4.374 4.170 -0.001 0.000 0.294 434 I C -0.774 175.391 176.117 0.080 0.000 1.005 434 I CA -0.818 60.569 61.300 0.146 0.000 1.113 434 I CB 2.111 40.217 38.000 0.177 0.000 1.289 434 I HN 0.804 nan 8.210 nan 0.000 0.436 435 Q N 4.905 124.706 119.800 0.001 0.000 2.293 435 Q HA 0.136 4.475 4.340 -0.001 0.000 0.263 435 Q C 0.359 176.272 176.000 -0.146 0.000 1.002 435 Q CA -0.589 55.015 55.803 -0.332 0.000 0.910 435 Q CB 1.372 29.960 28.738 -0.249 0.000 1.185 435 Q HN 0.680 nan 8.270 nan 0.000 0.401 436 L N 2.412 123.495 121.223 -0.233 0.000 2.201 436 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 436 L C 1.975 178.759 176.870 -0.144 0.000 1.105 436 L CA 1.456 56.257 54.840 -0.065 0.000 0.775 436 L CB -0.730 41.261 42.059 -0.113 0.000 0.913 436 L HN 0.558 nan 8.230 nan 0.000 0.440 437 S N -1.450 114.124 115.700 -0.209 0.000 2.406 437 S HA -0.052 4.418 4.470 -0.001 0.000 0.228 437 S C 0.670 175.112 174.600 -0.264 0.000 1.020 437 S CA 0.708 58.779 58.200 -0.215 0.000 0.965 437 S CB 0.003 63.100 63.200 -0.171 0.000 0.798 437 S HN 0.393 nan 8.310 nan 0.000 0.488 438 D N -0.505 119.762 120.400 -0.222 0.000 2.375 438 D HA 0.235 4.874 4.640 -0.001 0.000 0.241 438 D C -0.309 175.973 176.300 -0.031 0.000 1.361 438 D CA -0.571 53.318 54.000 -0.185 0.000 0.995 438 D CB 0.217 40.956 40.800 -0.102 0.000 1.312 438 D HN -0.086 nan 8.370 nan 0.000 0.576 439 Y N 1.446 121.718 120.300 -0.045 0.000 2.465 439 Y HA -0.096 4.453 4.550 -0.001 0.000 0.289 439 Y C 2.393 178.294 175.900 0.001 0.000 1.150 439 Y CA 0.787 58.873 58.100 -0.024 0.000 1.293 439 Y CB -0.856 37.591 38.460 -0.021 0.000 0.977 439 Y HN 0.345 nan 8.280 nan 0.000 0.556 440 T N -0.142 114.488 114.554 0.126 0.000 2.915 440 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 440 T C 0.768 175.515 174.700 0.078 0.000 1.071 440 T CA 0.875 63.023 62.100 0.081 0.000 1.132 440 T CB -0.191 68.697 68.868 0.034 0.000 0.878 440 T HN 0.220 nan 8.240 nan 0.000 0.479 441 K N 2.235 122.682 120.400 0.077 0.000 2.231 441 K HA 0.410 4.730 4.320 -0.001 0.000 0.255 441 K C -0.795 175.873 176.600 0.114 0.000 1.108 441 K CA -0.287 56.048 56.287 0.079 0.000 0.997 441 K CB 1.227 33.761 32.500 0.056 0.000 1.549 441 K HN 0.074 nan 8.250 nan 0.000 0.419 442 V N 1.019 121.004 119.914 0.119 0.000 2.459 442 V HA 0.488 4.607 4.120 -0.001 0.000 0.295 442 V C -0.716 175.441 176.094 0.105 0.000 1.029 442 V CA -0.068 62.318 62.300 0.143 0.000 0.874 442 V CB 1.816 33.757 31.823 0.197 0.000 0.985 442 V HN 0.520 nan 8.190 nan 0.000 0.438 443 T N 5.804 120.388 114.554 0.050 0.000 2.829 443 T HA 0.372 4.721 4.350 -0.001 0.000 0.280 443 T C -0.526 174.075 174.700 -0.166 0.000 0.999 443 T CA -0.295 61.779 62.100 -0.043 0.000 0.983 443 T CB 1.220 70.035 68.868 -0.089 0.000 0.968 443 T HN 0.983 nan 8.240 nan 0.000 0.446 444 C N 4.574 123.691 119.300 -0.306 0.000 2.325 444 C HA 0.472 4.931 4.460 -0.001 0.000 0.347 444 C C 1.462 176.120 174.990 -0.553 0.000 1.263 444 C CA -0.595 57.978 59.018 -0.741 0.000 1.806 444 C CB -1.755 25.489 27.740 -0.827 0.000 2.405 444 C HN 0.973 nan 8.230 nan 0.000 0.537 445 L N 4.705 125.577 121.223 -0.585 0.000 2.585 445 L HA 0.123 4.463 4.340 -0.001 0.000 0.226 445 L C 1.901 178.464 176.870 -0.511 0.000 1.113 445 L CA 0.565 55.153 54.840 -0.421 0.000 0.876 445 L CB -0.172 41.698 42.059 -0.316 0.000 1.072 445 L HN 0.887 nan 8.230 nan 0.000 0.468 446 S N -3.441 111.833 115.700 -0.709 0.000 2.663 446 S HA -0.018 4.451 4.470 -0.001 0.000 0.247 446 S C 1.832 176.001 174.600 -0.718 0.000 1.074 446 S CA 0.010 57.673 58.200 -0.896 0.000 0.955 446 S CB -0.233 62.025 63.200 -1.570 0.000 0.901 446 S HN 0.273 nan 8.310 nan 0.000 0.505 447 C N 2.439 121.282 119.300 -0.762 0.000 2.304 447 C HA -0.155 4.304 4.460 -0.001 0.000 0.269 447 C C 2.572 177.245 174.990 -0.529 0.000 1.136 447 C CA 1.976 60.452 59.018 -0.904 0.000 1.796 447 C CB -1.177 25.895 27.740 -1.113 0.000 2.017 447 C HN 0.639 nan 8.230 nan 0.000 0.431 448 E N -0.038 119.955 120.200 -0.346 0.000 2.479 448 E HA 0.148 4.497 4.350 -0.001 0.000 0.193 448 E C 1.922 178.466 176.600 -0.093 0.000 1.049 448 E CA -0.040 56.268 56.400 -0.155 0.000 0.870 448 E CB -0.268 29.366 29.700 -0.109 0.000 0.944 448 E HN 0.572 nan 8.360 nan 0.000 0.492 449 L N 0.308 121.465 121.223 -0.110 0.000 2.081 449 L HA -0.152 4.187 4.340 -0.001 0.000 0.212 449 L C 0.910 177.786 176.870 0.009 0.000 1.080 449 L CA 1.025 55.846 54.840 -0.033 0.000 0.754 449 L CB -0.114 41.944 42.059 -0.001 0.000 0.893 449 L HN 0.162 nan 8.230 nan 0.000 0.433 450 N N -1.741 116.976 118.700 0.028 0.000 3.409 450 N HA 0.038 4.777 4.740 -0.001 0.000 0.169 450 N C -2.124 173.411 175.510 0.042 0.000 1.443 450 N CA -0.562 52.505 53.050 0.027 0.000 0.933 450 N CB 0.595 39.094 38.487 0.021 0.000 1.669 450 N HN -0.186 nan 8.380 nan 0.000 0.640 451 P HA -0.148 nan 4.420 nan 0.000 0.218 451 P C 0.758 178.103 177.300 0.074 0.000 1.146 451 P CA 1.197 64.350 63.100 0.088 0.000 0.813 451 P CB 0.650 32.422 31.700 0.119 0.000 0.778 452 E N -0.257 119.966 120.200 0.039 0.000 2.076 452 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 452 E C 2.258 178.858 176.600 0.000 0.000 0.979 452 E CA 0.762 57.175 56.400 0.021 0.000 0.807 452 E CB -0.300 29.404 29.700 0.007 0.000 0.761 452 E HN 0.329 nan 8.360 nan 0.000 0.454 453 R N -0.268 120.221 120.500 -0.018 0.000 2.189 453 R HA 0.086 4.426 4.340 -0.001 0.000 0.203 453 R C 0.012 176.265 176.300 -0.079 0.000 1.012 453 R CA 0.428 56.493 56.100 -0.058 0.000 1.015 453 R CB 0.459 30.713 30.300 -0.077 0.000 0.938 453 R HN 0.012 nan 8.270 nan 0.000 0.472 454 c N 1.146 119.717 118.600 -0.048 0.000 2.322 454 c HA 0.425 4.995 4.570 -0.001 0.000 0.324 454 c C 0.027 174.130 174.090 0.021 0.000 1.249 454 c CA -0.679 55.581 56.329 -0.114 0.000 1.453 454 c CB 1.370 43.774 42.510 -0.175 0.000 2.145 454 c HN 0.519 nan 8.230 nan 0.000 0.466 455 Q N 0.464 120.264 119.800 0.000 0.000 2.073 455 Q HA 0.180 4.519 4.340 -0.001 0.000 0.215 455 Q C -0.998 175.078 176.000 0.127 0.000 0.776 455 Q CA 0.035 55.910 55.803 0.119 0.000 1.008 455 Q CB 1.331 30.144 28.738 0.126 0.000 1.196 455 Q HN 0.790 nan 8.270 nan 0.000 0.458 456 Y N 0.524 120.752 120.300 -0.120 0.000 2.373 456 Y HA 0.382 4.931 4.550 -0.001 0.000 0.327 456 Y C -1.577 174.199 175.900 -0.208 0.000 1.036 456 Y CA -1.100 56.944 58.100 -0.093 0.000 1.265 456 Y CB 0.743 39.145 38.460 -0.097 0.000 1.108 456 Y HN -0.075 nan 8.280 nan 0.000 0.471 457 Y N 1.951 122.207 120.300 -0.073 0.000 2.528 457 Y HA 0.715 5.264 4.550 -0.001 0.000 0.335 457 Y C 0.146 176.035 175.900 -0.019 0.000 1.093 457 Y CA -0.652 57.425 58.100 -0.040 0.000 1.134 457 Y CB 2.294 40.693 38.460 -0.101 0.000 1.253 457 Y HN 0.481 nan 8.280 nan 0.000 0.478 458 S N 0.429 116.253 115.700 0.206 0.000 2.588 458 S HA 0.844 5.313 4.470 -0.001 0.000 0.275 458 S C -1.728 172.972 174.600 0.167 0.000 1.130 458 S CA -0.766 57.536 58.200 0.170 0.000 0.855 458 S CB 1.717 65.022 63.200 0.176 0.000 1.116 458 S HN 0.699 nan 8.310 nan 0.000 0.472 459 V N 0.416 120.430 119.914 0.166 0.000 3.078 459 V HA 0.899 5.018 4.120 -0.001 0.000 0.311 459 V C -1.223 174.988 176.094 0.194 0.000 1.138 459 V CA -0.227 62.151 62.300 0.130 0.000 1.007 459 V CB 2.289 34.130 31.823 0.030 0.000 1.045 459 V HN 1.266 nan 8.190 nan 0.000 0.432 460 S N 4.573 120.374 115.700 0.169 0.000 2.746 460 S HA 0.626 5.096 4.470 -0.001 0.000 0.273 460 S C -1.121 173.682 174.600 0.339 0.000 1.172 460 S CA -0.420 57.984 58.200 0.339 0.000 1.116 460 S CB 0.179 63.611 63.200 0.388 0.000 1.057 460 S HN 0.513 nan 8.310 nan 0.000 0.483 461 F N 3.079 123.110 119.950 0.135 0.000 2.382 461 F HA 0.421 4.947 4.527 -0.001 0.000 0.331 461 F C 1.519 176.904 175.800 -0.692 0.000 1.121 461 F CA -0.220 57.675 58.000 -0.174 0.000 1.183 461 F CB 1.045 39.917 39.000 -0.214 0.000 1.207 461 F HN 0.611 nan 8.300 nan 0.000 0.555 462 S N 1.794 116.883 115.700 -1.018 0.000 2.634 462 S HA 0.202 4.672 4.470 -0.001 0.000 0.261 462 S C 1.222 175.597 174.600 -0.376 0.000 1.271 462 S CA -0.861 56.557 58.200 -1.304 0.000 0.985 462 S CB 0.821 63.290 63.200 -1.218 0.000 0.968 462 S HN 0.520 nan 8.310 nan 0.000 0.568 463 K N 0.901 121.209 120.400 -0.153 0.000 2.052 463 K HA -0.132 4.188 4.320 -0.001 0.000 0.215 463 K C 0.915 177.496 176.600 -0.032 0.000 1.053 463 K CA 1.686 57.966 56.287 -0.012 0.000 0.934 463 K CB -0.474 32.062 32.500 0.060 0.000 0.717 463 K HN 0.680 nan 8.250 nan 0.000 0.450 464 E N -0.733 119.416 120.200 -0.085 0.000 2.496 464 E HA 0.237 4.586 4.350 -0.001 0.000 0.202 464 E C 0.005 176.547 176.600 -0.096 0.000 1.021 464 E CA 0.058 56.418 56.400 -0.066 0.000 1.015 464 E CB 0.444 30.109 29.700 -0.059 0.000 1.102 464 E HN 0.249 nan 8.360 nan 0.000 0.452 465 A N 1.332 124.087 122.820 -0.108 0.000 2.799 465 A HA -0.327 3.993 4.320 -0.001 0.000 0.287 465 A C 1.535 179.064 177.584 -0.091 0.000 1.484 465 A CA 1.715 53.724 52.037 -0.047 0.000 0.813 465 A CB -1.998 16.902 19.000 -0.168 0.000 1.009 465 A HN 0.299 nan 8.150 nan 0.000 0.545 466 K N -1.939 118.318 120.400 -0.237 0.000 2.228 466 K HA 0.143 4.463 4.320 -0.001 0.000 0.202 466 K C 0.060 176.284 176.600 -0.628 0.000 1.051 466 K CA 1.267 57.296 56.287 -0.429 0.000 0.960 466 K CB 0.021 32.178 32.500 -0.571 0.000 0.743 466 K HN 0.654 nan 8.250 nan 0.000 0.458 467 Y N -1.126 119.053 120.300 -0.202 0.000 2.609 467 Y HA 0.341 4.890 4.550 -0.001 0.000 0.342 467 Y C -0.996 174.741 175.900 -0.272 0.000 1.058 467 Y CA -1.326 56.643 58.100 -0.219 0.000 1.055 467 Y CB 1.721 40.043 38.460 -0.231 0.000 1.292 467 Y HN -0.009 nan 8.280 nan 0.000 0.476 468 Y N -1.160 119.067 120.300 -0.123 0.000 2.592 468 Y HA 0.527 5.076 4.550 -0.001 0.000 0.334 468 Y C -1.514 174.378 175.900 -0.014 0.000 1.136 468 Y CA -1.401 56.494 58.100 -0.341 0.000 1.042 468 Y CB 1.554 39.272 38.460 -1.237 0.000 1.325 468 Y HN 0.591 nan 8.280 nan 0.000 0.457 469 Q N 3.539 123.444 119.800 0.175 0.000 2.322 469 Q HA 0.593 4.933 4.340 -0.001 0.000 0.265 469 Q C -1.891 174.182 176.000 0.121 0.000 0.985 469 Q CA -0.768 55.105 55.803 0.116 0.000 0.849 469 Q CB 1.612 30.398 28.738 0.081 0.000 1.274 469 Q HN 0.965 nan 8.270 nan 0.000 0.449 470 L N 4.000 125.291 121.223 0.113 0.000 2.307 470 L HA 0.541 4.880 4.340 -0.001 0.000 0.282 470 L C -0.180 176.758 176.870 0.113 0.000 1.051 470 L CA -0.556 54.366 54.840 0.138 0.000 0.804 470 L CB 1.328 43.456 42.059 0.115 0.000 1.197 470 L HN 0.600 nan 8.230 nan 0.000 0.431 471 R N 2.354 122.904 120.500 0.083 0.000 2.352 471 R HA 0.269 4.608 4.340 -0.001 0.000 0.304 471 R C -1.004 175.117 176.300 -0.299 0.000 1.104 471 R CA -0.516 55.474 56.100 -0.184 0.000 0.991 471 R CB 1.418 31.696 30.300 -0.037 0.000 1.140 471 R HN 0.594 nan 8.270 nan 0.000 0.540 472 c N 2.823 121.102 118.600 -0.534 0.000 2.482 472 c HA 0.280 4.849 4.570 -0.001 0.000 0.378 472 c C 1.500 175.318 174.090 -0.452 0.000 1.284 472 c CA -0.217 55.680 56.329 -0.720 0.000 1.826 472 c CB -0.190 41.884 42.510 -0.727 0.000 2.473 472 c HN 0.942 nan 8.230 nan 0.000 0.562 473 S N 3.892 119.426 115.700 -0.276 0.000 2.663 473 S HA 0.614 5.083 4.470 -0.001 0.000 0.243 473 S C 0.365 174.902 174.600 -0.105 0.000 1.009 473 S CA 0.211 58.313 58.200 -0.163 0.000 0.988 473 S CB -0.020 63.115 63.200 -0.108 0.000 0.896 473 S HN 1.933 nan 8.310 nan 0.000 0.502 474 G N 1.891 110.616 108.800 -0.125 0.000 2.336 474 G HA2 0.349 4.308 3.960 -0.001 0.000 0.300 474 G HA3 0.349 4.308 3.960 -0.001 0.000 0.300 474 G C -3.031 171.839 174.900 -0.049 0.000 1.375 474 G CA -0.447 44.623 45.100 -0.049 0.000 0.885 474 G HN -0.117 nan 8.290 nan 0.000 0.599 475 P HA 0.144 nan 4.420 nan 0.000 0.236 475 P C 1.222 178.515 177.300 -0.012 0.000 1.177 475 P CA 1.268 64.386 63.100 0.029 0.000 0.773 475 P CB 0.442 32.165 31.700 0.038 0.000 0.878 476 G N 0.423 109.154 108.800 -0.115 0.000 2.525 476 G HA2 0.403 4.362 3.960 -0.001 0.000 0.287 476 G HA3 0.403 4.362 3.960 -0.001 0.000 0.287 476 G C -0.224 174.409 174.900 -0.445 0.000 1.350 476 G CA -0.763 44.191 45.100 -0.242 0.000 1.039 476 G HN 0.036 nan 8.290 nan 0.000 0.513 477 L N 0.996 121.879 121.223 -0.567 0.000 2.483 477 L HA 0.126 4.466 4.340 -0.001 0.000 0.276 477 L C -1.829 174.845 176.870 -0.327 0.000 1.213 477 L CA -1.156 53.310 54.840 -0.624 0.000 0.843 477 L CB 0.563 42.354 42.059 -0.447 0.000 1.107 477 L HN 0.246 nan 8.230 nan 0.000 0.487 478 P HA 0.053 nan 4.420 nan 0.000 0.265 478 P C -0.946 176.231 177.300 -0.205 0.000 1.193 478 P CA -0.008 62.971 63.100 -0.201 0.000 0.765 478 P CB 0.596 32.270 31.700 -0.043 0.000 0.823 479 L N 5.512 126.516 121.223 -0.366 0.000 2.409 479 L HA 0.485 4.824 4.340 -0.001 0.000 0.272 479 L C -1.695 174.955 176.870 -0.367 0.000 0.980 479 L CA -0.686 54.014 54.840 -0.234 0.000 0.826 479 L CB 0.914 42.876 42.059 -0.162 0.000 1.268 479 L HN 0.222 nan 8.230 nan 0.000 0.407 480 Y N 2.813 123.066 120.300 -0.078 0.000 2.335 480 Y HA 0.747 5.297 4.550 -0.001 0.000 0.338 480 Y C 0.569 176.364 175.900 -0.176 0.000 0.977 480 Y CA -0.563 57.473 58.100 -0.107 0.000 1.114 480 Y CB 1.960 40.341 38.460 -0.132 0.000 1.182 480 Y HN 0.680 nan 8.280 nan 0.000 0.463 481 T N 1.008 115.566 114.554 0.008 0.000 2.901 481 T HA 0.735 5.084 4.350 -0.001 0.000 0.293 481 T C -1.180 173.475 174.700 -0.075 0.000 1.084 481 T CA -0.972 61.087 62.100 -0.068 0.000 1.008 481 T CB 1.721 70.607 68.868 0.029 0.000 1.170 481 T HN 0.547 nan 8.240 nan 0.000 0.509 482 L N 1.250 122.323 121.223 -0.250 0.000 2.334 482 L HA 0.677 5.016 4.340 -0.001 0.000 0.273 482 L C -1.031 175.560 176.870 -0.464 0.000 1.013 482 L CA -0.838 53.875 54.840 -0.213 0.000 0.816 482 L CB 1.750 43.679 42.059 -0.217 0.000 1.278 482 L HN 0.890 nan 8.230 nan 0.000 0.431 483 H N -0.164 118.639 119.070 -0.444 0.000 2.980 483 H HA 0.412 4.967 4.556 -0.001 0.000 0.367 483 H C -0.726 174.387 175.328 -0.358 0.000 1.206 483 H CA -0.786 54.938 56.048 -0.541 0.000 1.126 483 H CB 1.994 31.139 29.762 -1.029 0.000 1.838 483 H HN 0.428 nan 8.280 nan 0.000 0.552 484 S N -0.025 115.657 115.700 -0.030 0.000 2.449 484 S HA 0.291 4.761 4.470 -0.001 0.000 0.310 484 S C 0.397 175.009 174.600 0.021 0.000 1.096 484 S CA -0.642 57.581 58.200 0.039 0.000 1.095 484 S CB 1.635 64.881 63.200 0.077 0.000 1.007 484 S HN 0.556 nan 8.310 nan 0.000 0.474 485 S N 2.456 118.180 115.700 0.040 0.000 2.383 485 S HA -0.136 4.333 4.470 -0.001 0.000 0.229 485 S C 1.930 176.565 174.600 0.059 0.000 1.030 485 S CA 1.173 59.468 58.200 0.158 0.000 1.002 485 S CB -0.561 62.695 63.200 0.094 0.000 0.829 485 S HN 0.727 nan 8.310 nan 0.000 0.467 486 V N 2.185 122.086 119.914 -0.022 0.000 2.278 486 V HA -0.271 3.848 4.120 -0.001 0.000 0.251 486 V C 1.391 177.486 176.094 0.001 0.000 1.062 486 V CA 2.245 64.537 62.300 -0.014 0.000 1.038 486 V CB -0.427 31.376 31.823 -0.034 0.000 0.646 486 V HN 0.563 nan 8.190 nan 0.000 0.447 487 N N -2.135 116.571 118.700 0.009 0.000 2.210 487 N HA 0.088 4.828 4.740 -0.001 0.000 0.203 487 N C -0.279 175.246 175.510 0.025 0.000 1.175 487 N CA 0.504 53.559 53.050 0.009 0.000 0.894 487 N CB 0.645 39.136 38.487 0.007 0.000 1.041 487 N HN 0.391 nan 8.380 nan 0.000 0.506 488 D N 1.033 121.474 120.400 0.069 0.000 2.907 488 D HA -0.137 4.502 4.640 -0.001 0.000 0.226 488 D C -0.537 175.823 176.300 0.101 0.000 1.141 488 D CA 1.047 55.126 54.000 0.131 0.000 0.779 488 D CB -0.970 39.881 40.800 0.086 0.000 1.095 488 D HN 0.356 nan 8.370 nan 0.000 0.430 489 K N 0.361 120.786 120.400 0.042 0.000 2.249 489 K HA 0.423 4.742 4.320 -0.001 0.000 0.280 489 K C 0.997 177.535 176.600 -0.102 0.000 1.033 489 K CA -0.047 56.235 56.287 -0.009 0.000 0.946 489 K CB 1.062 33.549 32.500 -0.022 0.000 1.005 489 K HN 0.089 nan 8.250 nan 0.000 0.469 490 G N 2.925 111.609 108.800 -0.193 0.000 2.358 490 G HA2 0.141 4.101 3.960 -0.001 0.000 0.273 490 G HA3 0.141 4.101 3.960 -0.001 0.000 0.273 490 G C 0.778 175.480 174.900 -0.331 0.000 1.215 490 G CA -0.379 44.406 45.100 -0.525 0.000 0.910 490 G HN 0.589 nan 8.290 nan 0.000 0.467 491 L N 1.799 122.811 121.223 -0.351 0.000 2.162 491 L HA 0.270 4.609 4.340 -0.001 0.000 0.205 491 L C 1.592 178.347 176.870 -0.191 0.000 1.086 491 L CA 0.788 55.505 54.840 -0.205 0.000 0.778 491 L CB -0.252 41.701 42.059 -0.176 0.000 0.928 491 L HN 0.777 nan 8.230 nan 0.000 0.446 492 R N -2.410 117.940 120.500 -0.250 0.000 3.012 492 R HA 0.343 4.682 4.340 -0.001 0.000 0.287 492 R C -1.666 174.495 176.300 -0.231 0.000 0.990 492 R CA -0.947 55.033 56.100 -0.200 0.000 0.839 492 R CB 1.011 31.220 30.300 -0.152 0.000 1.317 492 R HN -0.298 nan 8.270 nan 0.000 0.518 493 V N 2.702 122.507 119.914 -0.181 0.000 2.432 493 V HA 0.207 4.326 4.120 -0.001 0.000 0.275 493 V C 1.375 177.332 176.094 -0.229 0.000 1.043 493 V CA -0.492 61.706 62.300 -0.171 0.000 0.925 493 V CB 1.153 32.912 31.823 -0.108 0.000 0.985 493 V HN 0.637 nan 8.190 nan 0.000 0.466 494 L N 2.443 123.465 121.223 -0.335 0.000 2.127 494 L HA 0.236 4.575 4.340 -0.001 0.000 0.203 494 L C 0.790 177.458 176.870 -0.338 0.000 1.080 494 L CA 0.909 55.373 54.840 -0.627 0.000 0.768 494 L CB 0.171 41.486 42.059 -1.240 0.000 0.924 494 L HN 0.715 nan 8.230 nan 0.000 0.444 495 E N -0.454 119.680 120.200 -0.109 0.000 2.347 495 E HA 0.112 4.461 4.350 -0.001 0.000 0.285 495 E C -1.357 175.308 176.600 0.109 0.000 0.925 495 E CA -0.407 56.025 56.400 0.053 0.000 0.779 495 E CB 1.284 31.053 29.700 0.116 0.000 1.233 495 E HN 0.177 nan 8.360 nan 0.000 0.414 496 D N 2.484 122.919 120.400 0.058 0.000 2.500 496 D HA 0.196 4.835 4.640 -0.001 0.000 0.217 496 D C -0.308 176.002 176.300 0.018 0.000 1.159 496 D CA -0.290 53.725 54.000 0.025 0.000 0.828 496 D CB 0.053 40.845 40.800 -0.013 0.000 1.039 496 D HN 0.430 nan 8.370 nan 0.000 0.512 497 N N 0.543 119.273 118.700 0.051 0.000 2.735 497 N HA -0.223 4.516 4.740 -0.001 0.000 0.248 497 N C 1.034 176.548 175.510 0.007 0.000 1.083 497 N CA 0.928 54.002 53.050 0.039 0.000 0.703 497 N CB -1.257 37.245 38.487 0.026 0.000 1.005 497 N HN 0.502 nan 8.380 nan 0.000 0.550 498 S N -0.949 114.756 115.700 0.009 0.000 2.382 498 S HA -0.083 4.386 4.470 -0.001 0.000 0.228 498 S C 2.116 176.723 174.600 0.012 0.000 1.027 498 S CA 1.061 59.261 58.200 -0.000 0.000 0.991 498 S CB -0.206 62.996 63.200 0.003 0.000 0.823 498 S HN 0.515 nan 8.310 nan 0.000 0.469 499 A N 2.139 124.977 122.820 0.030 0.000 1.865 499 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 499 A C 2.267 179.884 177.584 0.055 0.000 1.191 499 A CA 1.742 53.806 52.037 0.045 0.000 0.623 499 A CB -1.011 18.023 19.000 0.057 0.000 0.826 499 A HN 0.563 nan 8.150 nan 0.000 0.444 500 L N 0.243 121.501 121.223 0.058 0.000 2.131 500 L HA -0.130 4.210 4.340 -0.001 0.000 0.210 500 L C 1.806 178.681 176.870 0.009 0.000 1.092 500 L CA 2.715 57.595 54.840 0.067 0.000 0.759 500 L CB -0.678 41.429 42.059 0.080 0.000 0.903 500 L HN 0.505 nan 8.230 nan 0.000 0.435 501 D N -0.977 119.413 120.400 -0.017 0.000 2.144 501 D HA -0.191 4.448 4.640 -0.001 0.000 0.200 501 D C 1.980 178.262 176.300 -0.029 0.000 0.978 501 D CA 1.045 55.017 54.000 -0.047 0.000 0.833 501 D CB 0.140 40.908 40.800 -0.053 0.000 0.961 501 D HN 0.115 nan 8.370 nan 0.000 0.470 502 K N -0.091 120.308 120.400 -0.002 0.000 2.057 502 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 502 K C 2.222 178.834 176.600 0.019 0.000 1.049 502 K CA 0.938 57.232 56.287 0.011 0.000 0.931 502 K CB -0.449 32.067 32.500 0.027 0.000 0.714 502 K HN 0.391 nan 8.250 nan 0.000 0.440 503 M N 0.523 120.144 119.600 0.035 0.000 2.067 503 M HA -0.113 4.366 4.480 -0.001 0.000 0.260 503 M C 2.200 178.461 176.300 -0.064 0.000 1.069 503 M CA 1.488 56.822 55.300 0.057 0.000 1.117 503 M CB -0.548 32.157 32.600 0.175 0.000 1.334 503 M HN -0.026 nan 8.290 nan 0.000 0.407 504 L N 0.796 121.924 121.223 -0.157 0.000 2.447 504 L HA -0.220 4.119 4.340 -0.001 0.000 0.225 504 L C 2.710 179.519 176.870 -0.102 0.000 1.148 504 L CA 0.991 55.705 54.840 -0.210 0.000 0.808 504 L CB -0.850 41.104 42.059 -0.176 0.000 0.928 504 L HN 0.521 nan 8.230 nan 0.000 0.448 505 Q N -1.019 118.750 119.800 -0.052 0.000 2.311 505 Q HA -0.082 4.257 4.340 -0.001 0.000 0.203 505 Q C 0.813 176.813 176.000 0.001 0.000 0.954 505 Q CA 0.795 56.584 55.803 -0.023 0.000 0.885 505 Q CB -0.146 28.585 28.738 -0.011 0.000 0.963 505 Q HN 0.463 nan 8.270 nan 0.000 0.471 506 N N 1.062 119.769 118.700 0.011 0.000 2.327 506 N HA 0.150 4.890 4.740 -0.001 0.000 0.231 506 N C -0.979 174.566 175.510 0.059 0.000 1.130 506 N CA 0.125 53.202 53.050 0.044 0.000 0.845 506 N CB 1.625 40.152 38.487 0.066 0.000 1.073 506 N HN 0.091 nan 8.380 nan 0.000 0.496 507 V N 0.532 120.464 119.914 0.029 0.000 2.932 507 V HA 0.195 4.314 4.120 -0.001 0.000 0.307 507 V C -1.182 174.930 176.094 0.030 0.000 1.147 507 V CA -0.783 61.550 62.300 0.054 0.000 0.951 507 V CB 2.438 34.289 31.823 0.047 0.000 1.031 507 V HN 0.024 nan 8.190 nan 0.000 0.426 508 Q N 6.361 126.195 119.800 0.056 0.000 2.431 508 Q HA 0.327 4.666 4.340 -0.001 0.000 0.234 508 Q C -0.302 175.694 176.000 -0.007 0.000 1.203 508 Q CA -0.146 55.660 55.803 0.005 0.000 0.902 508 Q CB 0.538 29.296 28.738 0.035 0.000 1.455 508 Q HN 0.575 nan 8.270 nan 0.000 0.515 509 M N 3.596 123.170 119.600 -0.044 0.000 2.247 509 M HA 0.365 4.844 4.480 -0.001 0.000 0.326 509 M C -1.973 174.281 176.300 -0.076 0.000 1.134 509 M CA -2.442 52.826 55.300 -0.053 0.000 1.136 509 M CB -0.146 32.417 32.600 -0.061 0.000 1.454 509 M HN 0.316 nan 8.290 nan 0.000 0.467 510 P HA 0.313 nan 4.420 nan 0.000 0.280 510 P C -1.019 176.224 177.300 -0.095 0.000 1.272 510 P CA -0.411 62.632 63.100 -0.095 0.000 0.819 510 P CB 0.847 32.486 31.700 -0.102 0.000 1.122 511 S N -0.603 115.027 115.700 -0.117 0.000 2.664 511 S HA 0.597 5.067 4.470 -0.001 0.000 0.304 511 S C -0.504 174.023 174.600 -0.122 0.000 1.099 511 S CA -0.817 57.321 58.200 -0.104 0.000 1.003 511 S CB 1.739 64.874 63.200 -0.109 0.000 1.092 511 S HN 0.491 nan 8.310 nan 0.000 0.525 512 K N 0.728 121.078 120.400 -0.083 0.000 2.413 512 K HA 0.368 4.687 4.320 -0.001 0.000 0.257 512 K C -1.253 175.309 176.600 -0.063 0.000 0.946 512 K CA -0.486 55.758 56.287 -0.071 0.000 0.823 512 K CB 1.200 33.685 32.500 -0.026 0.000 1.109 512 K HN 0.739 nan 8.250 nan 0.000 0.427 513 K N 6.121 126.474 120.400 -0.079 0.000 2.293 513 K HA 0.292 4.611 4.320 -0.001 0.000 0.267 513 K C -1.310 175.276 176.600 -0.022 0.000 1.010 513 K CA -0.625 55.627 56.287 -0.059 0.000 0.875 513 K CB 0.912 33.350 32.500 -0.103 0.000 1.106 513 K HN 0.577 nan 8.250 nan 0.000 0.450 514 L N 4.518 125.741 121.223 0.000 0.000 2.305 514 L HA 0.433 4.772 4.340 -0.001 0.000 0.284 514 L C -1.154 175.727 176.870 0.019 0.000 1.013 514 L CA -0.181 54.685 54.840 0.044 0.000 0.819 514 L CB 1.238 43.382 42.059 0.141 0.000 1.227 514 L HN 0.888 nan 8.230 nan 0.000 0.417 515 D N 2.907 123.157 120.400 -0.250 0.000 2.838 515 D HA 0.501 5.141 4.640 -0.001 0.000 0.334 515 D C -1.410 174.528 176.300 -0.604 0.000 1.315 515 D CA -0.082 53.688 54.000 -0.382 0.000 0.917 515 D CB 1.749 42.285 40.800 -0.442 0.000 1.435 515 D HN 0.208 nan 8.370 nan 0.000 0.517 516 F N -0.395 119.169 119.950 -0.644 0.000 2.675 516 F HA 0.787 5.314 4.527 -0.001 0.000 0.324 516 F C -0.770 175.062 175.800 0.053 0.000 1.106 516 F CA -1.034 56.708 58.000 -0.430 0.000 0.970 516 F CB 0.749 39.033 39.000 -1.194 0.000 1.385 516 F HN 0.384 nan 8.300 nan 0.000 0.489 517 I N -0.837 119.944 120.570 0.351 0.000 3.264 517 I HA 0.742 4.911 4.170 -0.001 0.000 0.315 517 I C -1.670 174.668 176.117 0.370 0.000 1.154 517 I CA -1.361 60.091 61.300 0.252 0.000 0.962 517 I CB 2.722 40.865 38.000 0.238 0.000 1.265 517 I HN 0.633 nan 8.210 nan 0.000 0.463 518 I N 3.118 123.841 120.570 0.256 0.000 2.447 518 I HA 0.428 4.598 4.170 -0.001 0.000 0.287 518 I C -1.104 175.152 176.117 0.232 0.000 1.023 518 I CA -0.499 60.956 61.300 0.260 0.000 1.083 518 I CB 1.977 40.089 38.000 0.186 0.000 1.245 518 I HN 0.367 nan 8.210 nan 0.000 0.434 519 L N 6.579 128.006 121.223 0.339 0.000 2.325 519 L HA 0.448 4.787 4.340 -0.001 0.000 0.281 519 L C -0.286 176.718 176.870 0.224 0.000 1.004 519 L CA -0.948 54.050 54.840 0.263 0.000 0.823 519 L CB 1.316 43.551 42.059 0.293 0.000 1.236 519 L HN 0.637 nan 8.230 nan 0.000 0.415 520 N N 4.800 123.571 118.700 0.119 0.000 2.724 520 N HA -0.254 4.486 4.740 -0.001 0.000 0.293 520 N C 0.371 175.930 175.510 0.081 0.000 1.090 520 N CA 1.026 54.124 53.050 0.080 0.000 0.793 520 N CB -0.587 37.934 38.487 0.055 0.000 0.958 520 N HN 0.849 nan 8.380 nan 0.000 0.575 521 E N -3.889 116.352 120.200 0.068 0.000 4.795 521 E HA -0.210 4.139 4.350 -0.001 0.000 0.162 521 E C -0.038 176.579 176.600 0.027 0.000 1.142 521 E CA 2.124 58.550 56.400 0.044 0.000 2.419 521 E CB -1.587 28.130 29.700 0.028 0.000 1.740 521 E HN 0.648 nan 8.360 nan 0.000 0.493 522 T N 3.862 118.432 114.554 0.027 0.000 2.897 522 T HA 0.365 4.714 4.350 -0.001 0.000 0.294 522 T C 0.478 175.081 174.700 -0.160 0.000 1.004 522 T CA -0.248 61.785 62.100 -0.112 0.000 1.106 522 T CB 1.335 70.076 68.868 -0.212 0.000 0.949 522 T HN 0.160 nan 8.240 nan 0.000 0.520 523 K N 2.126 122.350 120.400 -0.294 0.000 2.159 523 K HA 0.526 4.846 4.320 -0.001 0.000 0.266 523 K C -1.487 174.872 176.600 -0.401 0.000 0.975 523 K CA -0.614 55.562 56.287 -0.184 0.000 0.865 523 K CB 1.019 33.341 32.500 -0.296 0.000 1.087 523 K HN 0.390 nan 8.250 nan 0.000 0.446 524 F N 1.511 121.581 119.950 0.201 0.000 2.507 524 F HA 0.363 4.890 4.527 -0.001 0.000 0.325 524 F C -0.620 175.356 175.800 0.294 0.000 1.116 524 F CA -0.760 57.381 58.000 0.235 0.000 0.930 524 F CB 1.113 40.258 39.000 0.243 0.000 1.146 524 F HN 0.528 nan 8.300 nan 0.000 0.447 525 W N 3.217 124.713 121.300 0.326 0.000 2.283 525 W HA 0.519 5.179 4.660 -0.001 0.000 0.341 525 W C -0.584 176.184 176.519 0.416 0.000 1.206 525 W CA -0.484 57.060 57.345 0.331 0.000 1.294 525 W CB 0.481 30.045 29.460 0.174 0.000 1.154 525 W HN 0.453 nan 8.180 nan 0.000 0.613 526 Y N -0.872 119.788 120.300 0.601 0.000 2.638 526 Y HA 0.593 5.142 4.550 -0.001 0.000 0.335 526 Y C -1.149 174.991 175.900 0.400 0.000 1.155 526 Y CA -1.942 56.485 58.100 0.545 0.000 1.046 526 Y CB 0.942 39.861 38.460 0.765 0.000 1.303 526 Y HN 0.573 nan 8.280 nan 0.000 0.460 527 Q N 2.176 122.280 119.800 0.507 0.000 2.456 527 Q HA 0.821 5.161 4.340 -0.001 0.000 0.283 527 Q C -1.840 174.318 176.000 0.263 0.000 1.084 527 Q CA -1.224 54.743 55.803 0.272 0.000 0.801 527 Q CB 3.477 32.322 28.738 0.177 0.000 1.434 527 Q HN 0.840 nan 8.270 nan 0.000 0.419 528 M N 2.266 121.936 119.600 0.116 0.000 2.271 528 M HA 0.416 4.895 4.480 -0.001 0.000 0.285 528 M C -1.291 174.956 176.300 -0.088 0.000 1.059 528 M CA -0.911 54.384 55.300 -0.009 0.000 0.940 528 M CB 2.254 34.807 32.600 -0.079 0.000 1.636 528 M HN 0.585 nan 8.290 nan 0.000 0.460 529 I N 4.883 125.398 120.570 -0.092 0.000 2.322 529 I HA 0.329 4.498 4.170 -0.001 0.000 0.292 529 I C -0.241 175.759 176.117 -0.195 0.000 1.060 529 I CA -0.230 60.996 61.300 -0.123 0.000 1.309 529 I CB 0.027 37.972 38.000 -0.092 0.000 1.415 529 I HN 0.656 nan 8.210 nan 0.000 0.492 530 L N 8.497 129.558 121.223 -0.270 0.000 2.334 530 L HA 0.415 4.754 4.340 -0.001 0.000 0.277 530 L C -2.106 174.631 176.870 -0.223 0.000 1.075 530 L CA -1.744 52.863 54.840 -0.388 0.000 0.804 530 L CB 0.888 42.552 42.059 -0.659 0.000 1.174 530 L HN 0.272 nan 8.230 nan 0.000 0.438 531 P HA 0.099 nan 4.420 nan 0.000 0.270 531 P C -2.513 174.781 177.300 -0.010 0.000 1.223 531 P CA -0.917 62.161 63.100 -0.037 0.000 0.785 531 P CB -0.086 31.655 31.700 0.069 0.000 0.923 532 P HA 0.065 nan 4.420 nan 0.000 0.271 532 P C -0.655 176.598 177.300 -0.079 0.000 1.218 532 P CA 0.348 63.342 63.100 -0.177 0.000 0.780 532 P CB -0.212 31.341 31.700 -0.246 0.000 0.901 533 H N -1.442 117.678 119.070 0.084 0.000 2.791 533 H HA -0.218 4.337 4.556 -0.001 0.000 0.302 533 H C -0.027 175.371 175.328 0.117 0.000 1.198 533 H CA -0.289 55.809 56.048 0.083 0.000 1.145 533 H CB -2.328 27.473 29.762 0.065 0.000 1.385 533 H HN 0.330 nan 8.280 nan 0.000 0.409 534 F N 2.311 122.274 119.950 0.022 0.000 2.629 534 F HA 0.130 4.656 4.527 -0.001 0.000 0.377 534 F C 0.583 176.400 175.800 0.029 0.000 1.101 534 F CA 0.109 58.075 58.000 -0.056 0.000 1.301 534 F CB 0.517 39.368 39.000 -0.248 0.000 1.062 534 F HN 0.302 nan 8.300 nan 0.000 0.583 535 D N 5.303 125.281 120.400 -0.703 0.000 2.440 535 D HA 0.156 4.795 4.640 -0.001 0.000 0.252 535 D C 0.455 176.304 176.300 -0.752 0.000 1.180 535 D CA -0.637 53.049 54.000 -0.523 0.000 0.894 535 D CB 0.924 41.627 40.800 -0.161 0.000 1.111 535 D HN 0.621 nan 8.370 nan 0.000 0.544 536 K N 1.328 121.252 120.400 -0.793 0.000 2.442 536 K HA -0.145 4.174 4.320 -0.001 0.000 0.200 536 K C 1.277 177.852 176.600 -0.042 0.000 1.045 536 K CA 1.003 57.057 56.287 -0.389 0.000 0.937 536 K CB 0.061 32.500 32.500 -0.101 0.000 0.757 536 K HN 0.154 nan 8.250 nan 0.000 0.474 537 S N 0.342 115.987 115.700 -0.091 0.000 2.406 537 S HA 0.013 4.482 4.470 -0.001 0.000 0.224 537 S C 0.608 175.196 174.600 -0.021 0.000 1.030 537 S CA 0.017 58.201 58.200 -0.027 0.000 0.958 537 S CB 0.052 63.223 63.200 -0.048 0.000 0.811 537 S HN 0.363 nan 8.310 nan 0.000 0.489 538 K N 1.526 121.889 120.400 -0.061 0.000 2.202 538 K HA 0.168 4.487 4.320 -0.001 0.000 0.264 538 K C -0.715 175.859 176.600 -0.043 0.000 1.010 538 K CA -0.010 56.193 56.287 -0.141 0.000 0.940 538 K CB 0.470 32.765 32.500 -0.341 0.000 0.983 538 K HN 0.026 nan 8.250 nan 0.000 0.475 539 K N 3.147 123.468 120.400 -0.132 0.000 2.316 539 K HA 0.186 4.505 4.320 -0.001 0.000 0.267 539 K C -1.311 175.229 176.600 -0.099 0.000 1.025 539 K CA -0.482 55.798 56.287 -0.012 0.000 0.896 539 K CB 0.685 33.160 32.500 -0.042 0.000 1.124 539 K HN 0.361 nan 8.250 nan 0.000 0.451 540 Y N 3.228 123.552 120.300 0.040 0.000 2.376 540 Y HA 0.289 4.838 4.550 -0.001 0.000 0.325 540 Y C -1.876 173.954 175.900 -0.117 0.000 1.199 540 Y CA -2.634 55.465 58.100 -0.002 0.000 1.206 540 Y CB 0.468 38.993 38.460 0.108 0.000 1.229 540 Y HN 0.486 nan 8.280 nan 0.000 0.480 541 P HA 0.227 nan 4.420 nan 0.000 0.278 541 P C -1.198 175.914 177.300 -0.314 0.000 1.238 541 P CA -0.263 62.547 63.100 -0.485 0.000 0.794 541 P CB 1.680 32.794 31.700 -0.978 0.000 0.955 542 L N 3.106 124.167 121.223 -0.270 0.000 2.362 542 L HA 0.521 4.860 4.340 -0.001 0.000 0.275 542 L C -1.125 175.886 176.870 0.236 0.000 0.998 542 L CA -0.941 53.896 54.840 -0.005 0.000 0.820 542 L CB 1.533 43.594 42.059 0.003 0.000 1.270 542 L HN 0.258 nan 8.230 nan 0.000 0.415 543 L N 5.796 127.188 121.223 0.283 0.000 2.305 543 L HA 0.446 4.785 4.340 -0.001 0.000 0.284 543 L C -1.294 175.791 176.870 0.358 0.000 1.013 543 L CA -0.882 54.200 54.840 0.402 0.000 0.819 543 L CB 1.772 44.035 42.059 0.339 0.000 1.227 543 L HN 0.632 nan 8.230 nan 0.000 0.417 544 L N 5.360 126.846 121.223 0.438 0.000 2.259 544 L HA 0.330 4.669 4.340 -0.001 0.000 0.288 544 L C -0.211 176.885 176.870 0.376 0.000 1.051 544 L CA 0.014 55.096 54.840 0.404 0.000 0.824 544 L CB 0.757 43.110 42.059 0.490 0.000 1.206 544 L HN 0.469 nan 8.230 nan 0.000 0.429 545 D N 4.287 124.889 120.400 0.336 0.000 2.336 545 D HA 0.188 4.827 4.640 -0.001 0.000 0.249 545 D C -0.908 175.465 176.300 0.121 0.000 1.213 545 D CA 0.192 54.314 54.000 0.203 0.000 0.870 545 D CB 1.265 42.253 40.800 0.314 0.000 1.076 545 D HN 0.339 nan 8.370 nan 0.000 0.483 546 V N 5.325 125.238 119.914 -0.001 0.000 2.864 546 V HA 0.444 4.563 4.120 -0.001 0.000 0.314 546 V C -0.960 175.220 176.094 0.143 0.000 1.073 546 V CA -0.395 61.972 62.300 0.111 0.000 0.956 546 V CB 1.909 33.806 31.823 0.125 0.000 1.023 546 V HN 0.665 nan 8.190 nan 0.000 0.435 547 Y N 4.394 124.751 120.300 0.095 0.000 3.208 547 Y HA 0.542 5.091 4.550 -0.001 0.000 0.205 547 Y C 1.544 177.543 175.900 0.166 0.000 0.923 547 Y CA 1.345 59.521 58.100 0.127 0.000 1.596 547 Y CB 0.110 38.628 38.460 0.096 0.000 1.478 547 Y HN 1.049 nan 8.280 nan 0.000 0.409 548 A N 0.857 123.839 122.820 0.269 0.000 2.861 548 A HA -0.177 4.143 4.320 -0.001 0.000 0.261 548 A C 0.991 178.430 177.584 -0.241 0.000 1.351 548 A CA 1.016 53.119 52.037 0.110 0.000 0.904 548 A CB -2.474 16.634 19.000 0.180 0.000 1.076 548 A HN 0.971 nan 8.150 nan 0.000 0.729 549 G N -0.310 108.177 108.800 -0.523 0.000 2.594 549 G HA2 0.462 4.421 3.960 -0.001 0.000 0.243 549 G HA3 0.462 4.421 3.960 -0.001 0.000 0.243 549 G C -1.797 172.840 174.900 -0.438 0.000 1.229 549 G CA -0.493 43.913 45.100 -1.157 0.000 0.843 549 G HN 0.408 nan 8.290 nan 0.000 0.578 550 P HA 0.015 nan 4.420 nan 0.000 0.263 550 P C 0.617 177.844 177.300 -0.123 0.000 1.195 550 P CA 0.274 63.175 63.100 -0.331 0.000 0.762 550 P CB 0.720 31.929 31.700 -0.820 0.000 0.799 551 C N 2.424 121.710 119.300 -0.022 0.000 4.534 551 C HA -0.136 4.324 4.460 -0.001 0.000 0.275 551 C C 1.022 176.105 174.990 0.155 0.000 1.291 551 C CA 1.052 60.042 59.018 -0.046 0.000 1.876 551 C CB -2.562 25.018 27.740 -0.266 0.000 1.339 551 C HN 0.815 nan 8.230 nan 0.000 0.746 552 S N -0.032 115.791 115.700 0.205 0.000 2.707 552 S HA 0.680 5.149 4.470 -0.001 0.000 0.276 552 S C -0.637 174.133 174.600 0.284 0.000 1.179 552 S CA 0.044 58.421 58.200 0.296 0.000 0.992 552 S CB 1.711 65.131 63.200 0.367 0.000 1.030 552 S HN 0.843 nan 8.310 nan 0.000 0.554 553 Q N -0.334 119.626 119.800 0.267 0.000 2.371 553 Q HA 0.321 4.660 4.340 -0.001 0.000 0.244 553 Q C -0.943 175.155 176.000 0.164 0.000 0.882 553 Q CA -0.534 55.417 55.803 0.246 0.000 0.866 553 Q CB 1.070 29.992 28.738 0.308 0.000 1.399 553 Q HN 0.684 nan 8.270 nan 0.000 0.432 554 K N 0.763 121.266 120.400 0.172 0.000 2.355 554 K HA 0.344 4.664 4.320 -0.001 0.000 0.198 554 K C -0.385 176.315 176.600 0.167 0.000 1.039 554 K CA 0.302 56.682 56.287 0.155 0.000 1.075 554 K CB 1.564 34.182 32.500 0.197 0.000 0.870 554 K HN 0.480 nan 8.250 nan 0.000 0.540 555 A N 2.694 125.625 122.820 0.185 0.000 2.293 555 A HA 0.463 4.782 4.320 -0.001 0.000 0.312 555 A C -0.929 176.736 177.584 0.135 0.000 1.309 555 A CA -0.559 51.597 52.037 0.198 0.000 0.839 555 A CB 0.216 19.396 19.000 0.300 0.000 1.155 555 A HN 0.220 nan 8.150 nan 0.000 0.501 556 D N -0.117 120.342 120.400 0.099 0.000 2.664 556 D HA 0.427 5.066 4.640 -0.001 0.000 0.292 556 D C 0.258 176.600 176.300 0.071 0.000 1.214 556 D CA 0.207 54.262 54.000 0.091 0.000 0.932 556 D CB 0.421 41.292 40.800 0.119 0.000 1.420 556 D HN 0.176 nan 8.370 nan 0.000 0.471 557 T N -1.978 112.649 114.554 0.121 0.000 3.273 557 T HA 0.373 4.723 4.350 -0.001 0.000 0.254 557 T C 0.166 174.863 174.700 -0.006 0.000 1.002 557 T CA -0.443 61.710 62.100 0.089 0.000 0.913 557 T CB -0.927 68.025 68.868 0.140 0.000 1.056 557 T HN 0.268 nan 8.240 nan 0.000 0.576 558 V N 2.260 122.077 119.914 -0.162 0.000 2.607 558 V HA 0.428 4.547 4.120 -0.001 0.000 0.289 558 V C -0.011 176.043 176.094 -0.067 0.000 1.053 558 V CA -1.143 61.001 62.300 -0.260 0.000 0.996 558 V CB 0.628 32.170 31.823 -0.468 0.000 0.995 558 V HN 0.594 nan 8.190 nan 0.000 0.476 559 F N 5.949 125.801 119.950 -0.163 0.000 2.420 559 F HA 0.606 5.133 4.527 -0.001 0.000 0.352 559 F C 0.385 176.127 175.800 -0.097 0.000 1.108 559 F CA -0.279 57.652 58.000 -0.115 0.000 1.162 559 F CB 0.340 39.277 39.000 -0.104 0.000 1.118 559 F HN 0.421 nan 8.300 nan 0.000 0.510 560 R N 5.740 125.777 120.500 -0.772 0.000 2.673 560 R HA 0.556 4.896 4.340 -0.001 0.000 0.281 560 R C -1.954 173.901 176.300 -0.741 0.000 0.991 560 R CA -1.251 54.493 56.100 -0.594 0.000 0.896 560 R CB 1.980 32.119 30.300 -0.268 0.000 1.201 560 R HN 0.464 nan 8.270 nan 0.000 0.457 561 L N 4.190 125.141 121.223 -0.453 0.000 2.356 561 L HA 0.349 4.688 4.340 -0.001 0.000 0.264 561 L C -0.832 176.023 176.870 -0.026 0.000 1.029 561 L CA -0.436 54.213 54.840 -0.318 0.000 0.897 561 L CB 0.250 42.227 42.059 -0.137 0.000 1.256 561 L HN 0.753 nan 8.230 nan 0.000 0.444 562 N N 0.278 118.923 118.700 -0.092 0.000 3.479 562 N HA 0.178 4.918 4.740 -0.001 0.000 0.336 562 N C 0.533 175.785 175.510 -0.429 0.000 1.623 562 N CA -0.775 52.150 53.050 -0.209 0.000 0.759 562 N CB -0.082 38.354 38.487 -0.085 0.000 2.016 562 N HN 0.176 nan 8.380 nan 0.000 0.637 563 W N 0.672 121.382 121.300 -0.984 0.000 2.338 563 W HA 0.082 4.741 4.660 -0.001 0.000 0.304 563 W C 2.109 178.574 176.519 -0.091 0.000 1.212 563 W CA 3.040 60.025 57.345 -0.601 0.000 1.264 563 W CB -1.061 28.146 29.460 -0.422 0.000 1.142 563 W HN 0.699 nan 8.180 nan 0.000 0.512 564 A N -0.623 122.183 122.820 -0.025 0.000 1.978 564 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 564 A C 1.924 179.431 177.584 -0.129 0.000 1.170 564 A CA 2.485 54.449 52.037 -0.121 0.000 0.636 564 A CB -1.271 17.741 19.000 0.020 0.000 0.810 564 A HN 0.318 nan 8.150 nan 0.000 0.448 565 T N -1.321 113.190 114.554 -0.071 0.000 2.746 565 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 565 T C 1.807 176.592 174.700 0.141 0.000 1.039 565 T CA 1.697 63.761 62.100 -0.060 0.000 1.142 565 T CB -0.441 68.276 68.868 -0.251 0.000 0.866 565 T HN 0.686 nan 8.240 nan 0.000 0.444 566 Y N 2.075 122.475 120.300 0.168 0.000 2.163 566 Y HA 0.007 4.557 4.550 -0.001 0.000 0.288 566 Y C 1.944 177.828 175.900 -0.027 0.000 1.136 566 Y CA 0.762 58.951 58.100 0.148 0.000 1.147 566 Y CB -0.818 37.695 38.460 0.087 0.000 0.987 566 Y HN 0.112 nan 8.280 nan 0.000 0.509 567 L N 0.231 121.015 121.223 -0.732 0.000 2.013 567 L HA -0.281 4.058 4.340 -0.001 0.000 0.212 567 L C 2.828 179.453 176.870 -0.408 0.000 1.073 567 L CA 1.617 55.986 54.840 -0.786 0.000 0.753 567 L CB -1.135 40.530 42.059 -0.657 0.000 0.890 567 L HN 0.409 nan 8.230 nan 0.000 0.432 568 A N -1.111 121.564 122.820 -0.242 0.000 1.854 568 A HA -0.202 4.117 4.320 -0.001 0.000 0.214 568 A C 2.519 180.062 177.584 -0.068 0.000 1.192 568 A CA 1.856 53.816 52.037 -0.128 0.000 0.611 568 A CB -0.756 18.173 19.000 -0.118 0.000 0.832 568 A HN 0.375 nan 8.150 nan 0.000 0.442 569 S N -1.043 114.638 115.700 -0.031 0.000 2.343 569 S HA -0.150 4.319 4.470 -0.001 0.000 0.219 569 S C 2.047 176.684 174.600 0.061 0.000 1.033 569 S CA 2.430 60.657 58.200 0.046 0.000 1.014 569 S CB -0.593 62.697 63.200 0.151 0.000 0.915 569 S HN 0.572 nan 8.310 nan 0.000 0.435 570 T N 1.314 115.898 114.554 0.049 0.000 2.976 570 T HA 0.152 4.502 4.350 -0.001 0.000 0.257 570 T C 1.547 176.242 174.700 -0.009 0.000 1.051 570 T CA 0.774 62.917 62.100 0.072 0.000 1.141 570 T CB -0.149 68.856 68.868 0.229 0.000 0.881 570 T HN 0.330 nan 8.240 nan 0.000 0.461 571 E N 1.103 121.204 120.200 -0.165 0.000 2.447 571 E HA 0.142 4.491 4.350 -0.001 0.000 0.195 571 E C 0.049 176.634 176.600 -0.025 0.000 1.028 571 E CA -0.014 56.317 56.400 -0.116 0.000 0.876 571 E CB -0.240 29.309 29.700 -0.252 0.000 0.885 571 E HN 0.538 nan 8.360 nan 0.000 0.500 572 N N 0.510 119.210 118.700 -0.000 0.000 2.756 572 N HA -0.178 4.561 4.740 -0.001 0.000 0.248 572 N C -0.873 174.720 175.510 0.138 0.000 1.062 572 N CA 0.311 53.429 53.050 0.114 0.000 0.696 572 N CB -1.304 37.288 38.487 0.175 0.000 0.946 572 N HN 0.186 nan 8.380 nan 0.000 0.548 573 I N 0.652 121.234 120.570 0.021 0.000 2.441 573 I HA 0.395 4.564 4.170 -0.001 0.000 0.295 573 I C 0.552 176.655 176.117 -0.023 0.000 0.994 573 I CA -0.953 60.358 61.300 0.019 0.000 1.144 573 I CB 1.502 39.511 38.000 0.016 0.000 1.314 573 I HN 0.020 nan 8.210 nan 0.000 0.445 574 I N 5.990 126.552 120.570 -0.013 0.000 2.416 574 I HA 0.159 4.328 4.170 -0.001 0.000 0.288 574 I C -0.372 175.726 176.117 -0.032 0.000 1.051 574 I CA -0.428 60.829 61.300 -0.071 0.000 1.375 574 I CB 1.106 39.069 38.000 -0.062 0.000 1.407 574 I HN 0.194 nan 8.210 nan 0.000 0.516 575 V N 6.848 126.736 119.914 -0.044 0.000 2.328 575 V HA 0.594 4.714 4.120 -0.001 0.000 0.278 575 V C 0.393 176.505 176.094 0.030 0.000 1.021 575 V CA -0.424 61.893 62.300 0.029 0.000 0.838 575 V CB 1.025 32.866 31.823 0.030 0.000 0.999 575 V HN 0.838 nan 8.190 nan 0.000 0.447 576 A N 4.059 126.913 122.820 0.056 0.000 2.330 576 A HA 0.956 5.276 4.320 -0.001 0.000 0.329 576 A C -0.153 177.564 177.584 0.222 0.000 1.135 576 A CA -0.533 51.529 52.037 0.041 0.000 0.817 576 A CB 1.674 20.506 19.000 -0.280 0.000 1.269 576 A HN 0.690 nan 8.150 nan 0.000 0.469 577 S N -0.228 115.662 115.700 0.316 0.000 2.540 577 S HA 0.674 5.143 4.470 -0.001 0.000 0.275 577 S C -1.490 173.459 174.600 0.581 0.000 1.123 577 S CA -0.314 58.121 58.200 0.393 0.000 0.907 577 S CB 1.264 64.639 63.200 0.291 0.000 1.081 577 S HN 0.795 nan 8.310 nan 0.000 0.476 578 F N 2.156 122.345 119.950 0.399 0.000 2.547 578 F HA 0.502 5.029 4.527 -0.001 0.000 0.316 578 F C -1.407 174.600 175.800 0.345 0.000 1.121 578 F CA -0.756 57.501 58.000 0.428 0.000 0.911 578 F CB 1.388 40.604 39.000 0.360 0.000 1.179 578 F HN 0.399 nan 8.300 nan 0.000 0.443 579 D N 4.890 125.046 120.400 -0.407 0.000 2.443 579 D HA 0.353 4.993 4.640 -0.001 0.000 0.221 579 D C 0.343 176.294 176.300 -0.582 0.000 1.097 579 D CA 0.119 53.957 54.000 -0.269 0.000 0.865 579 D CB 1.516 42.347 40.800 0.052 0.000 1.034 579 D HN 0.783 nan 8.370 nan 0.000 0.511 580 G N 1.454 110.002 108.800 -0.421 0.000 2.849 580 G HA2 0.294 4.253 3.960 -0.001 0.000 0.174 580 G HA3 0.294 4.253 3.960 -0.001 0.000 0.174 580 G C 0.140 175.077 174.900 0.062 0.000 1.370 580 G CA -0.579 44.355 45.100 -0.277 0.000 1.040 580 G HN 0.225 nan 8.290 nan 0.000 0.582 581 R N -0.748 119.785 120.500 0.055 0.000 2.640 581 R HA 0.401 4.741 4.340 -0.001 0.000 0.270 581 R C 1.319 177.726 176.300 0.179 0.000 1.024 581 R CA 1.780 57.995 56.100 0.191 0.000 1.085 581 R CB 0.437 30.863 30.300 0.209 0.000 0.963 581 R HN 1.271 nan 8.270 nan 0.000 0.426 582 G N 0.932 109.835 108.800 0.171 0.000 2.241 582 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.244 582 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.244 582 G C 0.345 175.296 174.900 0.084 0.000 0.998 582 G CA 0.218 45.396 45.100 0.131 0.000 0.621 582 G HN 0.661 nan 8.290 nan 0.000 0.519 583 S N 0.732 116.492 115.700 0.100 0.000 2.569 583 S HA 0.490 4.959 4.470 -0.001 0.000 0.274 583 S C 0.985 175.601 174.600 0.027 0.000 1.353 583 S CA 0.637 58.893 58.200 0.093 0.000 1.023 583 S CB 0.774 64.053 63.200 0.132 0.000 0.876 583 S HN 1.399 nan 8.310 nan 0.000 0.540 584 G N -0.066 108.731 108.800 -0.006 0.000 2.509 584 G HA2 0.539 4.498 3.960 -0.001 0.000 0.328 584 G HA3 0.539 4.498 3.960 -0.001 0.000 0.328 584 G C -1.221 173.571 174.900 -0.180 0.000 1.194 584 G CA -0.659 44.281 45.100 -0.268 0.000 0.967 584 G HN 0.823 nan 8.290 nan 0.000 0.488 585 Y N -2.280 118.018 120.300 -0.002 0.000 4.644 585 Y HA -0.197 4.352 4.550 -0.001 0.000 0.241 585 Y C 1.249 177.139 175.900 -0.016 0.000 1.077 585 Y CA 0.879 58.976 58.100 -0.005 0.000 2.080 585 Y CB -2.132 36.342 38.460 0.023 0.000 1.613 585 Y HN 0.560 nan 8.280 nan 0.000 0.686 586 Q N -0.098 119.701 119.800 -0.001 0.000 2.055 586 Q HA 0.507 4.847 4.340 -0.001 0.000 0.226 586 Q C 0.825 176.677 176.000 -0.246 0.000 0.805 586 Q CA 0.203 56.007 55.803 0.001 0.000 1.072 586 Q CB 1.636 30.383 28.738 0.014 0.000 1.219 586 Q HN 0.600 nan 8.270 nan 0.000 0.451 587 G N 0.714 109.238 108.800 -0.459 0.000 2.690 587 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.686 587 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.686 587 G C -0.404 174.109 174.900 -0.645 0.000 1.277 587 G CA -0.509 44.033 45.100 -0.929 0.000 0.799 587 G HN 0.137 nan 8.290 nan 0.000 0.613 588 D N 0.029 120.017 120.400 -0.687 0.000 2.178 588 D HA -0.061 4.578 4.640 -0.001 0.000 0.202 588 D C 2.230 178.255 176.300 -0.458 0.000 0.974 588 D CA 1.313 54.882 54.000 -0.719 0.000 0.841 588 D CB -0.008 40.314 40.800 -0.796 0.000 0.953 588 D HN 0.602 nan 8.370 nan 0.000 0.478 589 K N 0.533 120.728 120.400 -0.341 0.000 2.074 589 K HA -0.153 4.166 4.320 -0.001 0.000 0.209 589 K C 2.055 178.599 176.600 -0.094 0.000 1.048 589 K CA 0.998 57.182 56.287 -0.171 0.000 0.926 589 K CB -0.104 32.315 32.500 -0.135 0.000 0.713 589 K HN 0.137 nan 8.250 nan 0.000 0.444 590 I N 0.338 120.837 120.570 -0.118 0.000 2.235 590 I HA -0.244 3.925 4.170 -0.001 0.000 0.241 590 I C 2.691 178.818 176.117 0.016 0.000 1.085 590 I CA 0.913 62.216 61.300 0.005 0.000 1.378 590 I CB -0.153 37.852 38.000 0.009 0.000 1.076 590 I HN 0.306 nan 8.210 nan 0.000 0.415 591 M N 0.223 119.758 119.600 -0.108 0.000 2.086 591 M HA -0.254 4.226 4.480 -0.001 0.000 0.261 591 M C 1.872 178.234 176.300 0.104 0.000 1.067 591 M CA 2.027 57.292 55.300 -0.058 0.000 1.116 591 M CB -0.354 32.099 32.600 -0.245 0.000 1.348 591 M HN 0.265 nan 8.290 nan 0.000 0.407 592 H N -0.648 118.335 119.070 -0.145 0.000 2.543 592 H HA 0.176 4.732 4.556 -0.001 0.000 0.269 592 H C 1.818 177.175 175.328 0.049 0.000 1.005 592 H CA 0.016 55.984 56.048 -0.133 0.000 1.146 592 H CB 0.122 29.697 29.762 -0.312 0.000 1.353 592 H HN 0.531 nan 8.280 nan 0.000 0.595 593 A N 1.586 124.534 122.820 0.212 0.000 1.940 593 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 593 A C 2.063 179.848 177.584 0.336 0.000 1.176 593 A CA 1.184 53.380 52.037 0.265 0.000 0.631 593 A CB -0.607 18.551 19.000 0.263 0.000 0.814 593 A HN 0.576 nan 8.150 nan 0.000 0.446 594 I N -2.734 118.000 120.570 0.274 0.000 3.806 594 I HA 0.135 4.304 4.170 -0.001 0.000 0.321 594 I C 0.388 176.568 176.117 0.104 0.000 1.315 594 I CA -0.425 60.958 61.300 0.139 0.000 1.148 594 I CB -0.719 37.347 38.000 0.110 0.000 1.028 594 I HN 0.222 nan 8.210 nan 0.000 0.415 595 N N 3.077 121.894 118.700 0.195 0.000 2.359 595 N HA -0.079 4.660 4.740 -0.001 0.000 0.261 595 N C 0.191 175.714 175.510 0.022 0.000 1.267 595 N CA 0.300 53.470 53.050 0.199 0.000 0.864 595 N CB 0.352 38.925 38.487 0.145 0.000 1.063 595 N HN 0.424 nan 8.380 nan 0.000 0.474 596 R N 0.548 121.039 120.500 -0.015 0.000 3.946 596 R HA -0.205 4.134 4.340 -0.001 0.000 0.329 596 R C -0.189 175.955 176.300 -0.260 0.000 1.209 596 R CA 0.754 56.797 56.100 -0.095 0.000 0.909 596 R CB -0.958 29.308 30.300 -0.057 0.000 1.355 596 R HN 0.556 nan 8.270 nan 0.000 0.539 597 R N 0.659 120.987 120.500 -0.286 0.000 2.635 597 R HA 0.322 4.661 4.340 -0.001 0.000 0.393 597 R C -0.555 175.656 176.300 -0.149 0.000 1.070 597 R CA -0.205 55.560 56.100 -0.558 0.000 1.118 597 R CB 0.494 30.460 30.300 -0.555 0.000 1.341 597 R HN 0.096 nan 8.270 nan 0.000 0.628 598 L N -0.309 120.913 121.223 -0.002 0.000 2.483 598 L HA 0.217 4.556 4.340 -0.001 0.000 0.276 598 L C 1.323 178.387 176.870 0.324 0.000 1.213 598 L CA 1.134 56.009 54.840 0.058 0.000 0.843 598 L CB 0.519 42.390 42.059 -0.313 0.000 1.107 598 L HN 0.668 nan 8.230 nan 0.000 0.487 599 G N 0.726 109.759 108.800 0.389 0.000 2.136 599 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.242 599 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.242 599 G C 0.423 175.413 174.900 0.149 0.000 0.989 599 G CA 0.536 45.843 45.100 0.346 0.000 0.682 599 G HN 0.841 nan 8.290 nan 0.000 0.522 600 T N -3.253 111.343 114.554 0.070 0.000 3.066 600 T HA 0.487 4.836 4.350 -0.001 0.000 0.176 600 T C 1.660 176.372 174.700 0.019 0.000 0.826 600 T CA 0.926 62.984 62.100 -0.070 0.000 1.280 600 T CB -0.094 68.539 68.868 -0.392 0.000 2.214 600 T HN 0.161 nan 8.240 nan 0.000 0.399 601 F N 3.423 123.419 119.950 0.076 0.000 2.161 601 F HA 0.065 4.591 4.527 -0.002 0.000 0.300 601 F C 2.798 178.640 175.800 0.071 0.000 1.089 601 F CA 1.077 59.112 58.000 0.058 0.000 1.282 601 F CB -0.872 38.157 39.000 0.050 0.000 1.010 601 F HN 0.536 nan 8.300 nan 0.000 0.485 602 E N 1.287 121.647 120.200 0.267 0.000 2.153 602 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 602 E C 2.240 178.958 176.600 0.198 0.000 0.988 602 E CA 1.731 58.264 56.400 0.222 0.000 0.811 602 E CB -1.093 28.734 29.700 0.212 0.000 0.746 602 E HN 0.378 nan 8.360 nan 0.000 0.466 603 V N 0.177 120.185 119.914 0.157 0.000 2.446 603 V HA -0.103 4.016 4.120 -0.001 0.000 0.244 603 V C 2.047 178.192 176.094 0.086 0.000 1.039 603 V CA 1.641 63.994 62.300 0.088 0.000 1.045 603 V CB -0.319 31.497 31.823 -0.012 0.000 0.681 603 V HN 0.095 nan 8.190 nan 0.000 0.459 604 E N 0.384 120.648 120.200 0.107 0.000 2.097 604 E HA -0.261 4.088 4.350 -0.001 0.000 0.196 604 E C 1.971 178.614 176.600 0.071 0.000 1.000 604 E CA 1.943 58.401 56.400 0.097 0.000 0.804 604 E CB -0.246 29.546 29.700 0.153 0.000 0.740 604 E HN 0.665 nan 8.360 nan 0.000 0.454 605 D N 0.170 120.632 120.400 0.103 0.000 2.178 605 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 605 D C 1.934 178.260 176.300 0.045 0.000 0.980 605 D CA 0.902 54.946 54.000 0.074 0.000 0.842 605 D CB -0.189 40.720 40.800 0.181 0.000 0.948 605 D HN 0.049 nan 8.370 nan 0.000 0.472 606 Q N 0.144 120.037 119.800 0.155 0.000 2.224 606 Q HA -0.006 4.334 4.340 -0.001 0.000 0.203 606 Q C 2.051 178.113 176.000 0.102 0.000 0.970 606 Q CA 0.747 56.654 55.803 0.173 0.000 0.865 606 Q CB -0.083 28.773 28.738 0.196 0.000 0.922 606 Q HN 0.349 nan 8.270 nan 0.000 0.445 607 I N -0.296 120.329 120.570 0.093 0.000 2.333 607 I HA -0.162 4.008 4.170 -0.001 0.000 0.246 607 I C 2.154 178.243 176.117 -0.047 0.000 1.106 607 I CA 0.714 62.110 61.300 0.160 0.000 1.411 607 I CB -0.240 37.841 38.000 0.135 0.000 1.082 607 I HN 0.158 nan 8.210 nan 0.000 0.420 608 E N 1.382 121.493 120.200 -0.149 0.000 2.085 608 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 608 E C 2.264 178.564 176.600 -0.499 0.000 0.994 608 E CA 1.580 57.818 56.400 -0.269 0.000 0.801 608 E CB -0.174 29.373 29.700 -0.254 0.000 0.743 608 E HN 0.449 nan 8.360 nan 0.000 0.453 609 A N 1.010 123.375 122.820 -0.759 0.000 1.883 609 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 609 A C 2.425 179.318 177.584 -1.152 0.000 1.186 609 A CA 2.413 53.679 52.037 -1.286 0.000 0.624 609 A CB -0.728 17.329 19.000 -1.572 0.000 0.822 609 A HN 0.305 nan 8.150 nan 0.000 0.444 610 A N -0.564 121.984 122.820 -0.453 0.000 1.877 610 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 610 A C 2.257 179.674 177.584 -0.279 0.000 1.186 610 A CA 1.686 53.625 52.037 -0.164 0.000 0.620 610 A CB -0.517 18.422 19.000 -0.102 0.000 0.822 610 A HN 0.527 nan 8.150 nan 0.000 0.443 611 R N -0.754 119.566 120.500 -0.300 0.000 2.127 611 R HA -0.149 4.190 4.340 -0.001 0.000 0.238 611 R C 2.235 178.375 176.300 -0.267 0.000 1.134 611 R CA 1.575 57.524 56.100 -0.251 0.000 0.975 611 R CB -0.159 30.021 30.300 -0.201 0.000 0.865 611 R HN 0.616 nan 8.270 nan 0.000 0.447 612 Q N -0.876 118.686 119.800 -0.397 0.000 2.163 612 Q HA -0.088 4.252 4.340 -0.001 0.000 0.198 612 Q C 1.890 177.700 176.000 -0.317 0.000 0.954 612 Q CA 0.959 56.529 55.803 -0.388 0.000 0.851 612 Q CB 0.020 28.442 28.738 -0.527 0.000 0.928 612 Q HN 0.291 nan 8.270 nan 0.000 0.459 613 F N 1.516 121.292 119.950 -0.290 0.000 2.102 613 F HA -0.156 4.370 4.527 -0.002 0.000 0.298 613 F C 2.634 178.229 175.800 -0.340 0.000 1.105 613 F CA 1.383 59.188 58.000 -0.325 0.000 1.239 613 F CB -1.227 37.604 39.000 -0.282 0.000 0.991 613 F HN 0.039 nan 8.300 nan 0.000 0.474 614 S N -0.766 114.882 115.700 -0.087 0.000 2.571 614 S HA -0.108 4.361 4.470 -0.001 0.000 0.245 614 S C 1.307 175.809 174.600 -0.164 0.000 0.976 614 S CA 0.702 58.811 58.200 -0.150 0.000 0.954 614 S CB -0.462 62.649 63.200 -0.148 0.000 0.756 614 S HN 0.185 nan 8.310 nan 0.000 0.535 615 K N 0.155 120.456 120.400 -0.165 0.000 2.455 615 K HA 0.412 4.732 4.320 -0.001 0.000 0.206 615 K C 0.543 177.062 176.600 -0.134 0.000 1.027 615 K CA 0.035 56.240 56.287 -0.135 0.000 1.113 615 K CB 0.140 32.570 32.500 -0.117 0.000 0.850 615 K HN 0.501 nan 8.250 nan 0.000 0.503 616 M N -1.141 118.320 119.600 -0.231 0.000 2.382 616 M HA 0.093 4.572 4.480 -0.001 0.000 0.247 616 M C 0.988 177.172 176.300 -0.194 0.000 1.104 616 M CA 0.501 55.666 55.300 -0.225 0.000 1.030 616 M CB 0.660 33.022 32.600 -0.397 0.000 1.424 616 M HN 0.336 nan 8.290 nan 0.000 0.486 617 G N 1.360 110.031 108.800 -0.214 0.000 2.284 617 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.247 617 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.247 617 G C 0.425 175.334 174.900 0.016 0.000 1.012 617 G CA 0.451 45.515 45.100 -0.061 0.000 0.618 617 G HN 0.595 nan 8.290 nan 0.000 0.521 618 F N 0.419 120.433 119.950 0.106 0.000 2.730 618 F HA 0.783 5.309 4.527 -0.001 0.000 0.295 618 F C -0.007 175.914 175.800 0.203 0.000 1.143 618 F CA -1.203 56.903 58.000 0.176 0.000 1.367 618 F CB 0.327 39.495 39.000 0.280 0.000 0.970 618 F HN 0.078 nan 8.300 nan 0.000 0.514 619 V N 1.160 121.026 119.914 -0.081 0.000 2.483 619 V HA 0.181 4.301 4.120 -0.001 0.000 0.297 619 V C -0.801 175.251 176.094 -0.069 0.000 1.027 619 V CA -0.825 61.436 62.300 -0.065 0.000 0.855 619 V CB 1.694 33.405 31.823 -0.187 0.000 0.995 619 V HN 0.120 nan 8.190 nan 0.000 0.424 620 D N 4.531 124.894 120.400 -0.061 0.000 2.367 620 D HA -0.008 4.631 4.640 -0.001 0.000 0.255 620 D C 1.426 177.668 176.300 -0.097 0.000 1.300 620 D CA -0.070 53.878 54.000 -0.086 0.000 0.959 620 D CB 0.522 41.255 40.800 -0.111 0.000 1.064 620 D HN 0.671 nan 8.370 nan 0.000 0.509 621 N N 3.418 122.063 118.700 -0.091 0.000 2.588 621 N HA -0.200 4.539 4.740 -0.001 0.000 0.190 621 N C 0.624 176.088 175.510 -0.076 0.000 1.094 621 N CA 0.673 53.664 53.050 -0.098 0.000 0.921 621 N CB 0.006 38.433 38.487 -0.100 0.000 0.959 621 N HN 0.392 nan 8.380 nan 0.000 0.448 622 K N -0.212 120.154 120.400 -0.056 0.000 2.404 622 K HA 0.194 4.513 4.320 -0.001 0.000 0.194 622 K C 0.148 176.757 176.600 0.015 0.000 1.023 622 K CA 0.030 56.304 56.287 -0.022 0.000 1.094 622 K CB 0.538 33.026 32.500 -0.019 0.000 0.841 622 K HN 0.125 nan 8.250 nan 0.000 0.523 623 R N 1.147 121.635 120.500 -0.021 0.000 2.653 623 R HA 0.335 4.674 4.340 -0.001 0.000 0.269 623 R C -1.135 175.171 176.300 0.010 0.000 1.603 623 R CA -0.143 55.969 56.100 0.020 0.000 1.671 623 R CB 0.683 30.836 30.300 -0.244 0.000 1.300 623 R HN -0.022 nan 8.270 nan 0.000 0.668 624 I N 1.356 122.038 120.570 0.186 0.000 2.382 624 I HA 0.505 4.674 4.170 -0.001 0.000 0.286 624 I C 0.093 176.508 176.117 0.496 0.000 1.002 624 I CA -0.624 60.806 61.300 0.215 0.000 1.135 624 I CB 1.846 39.787 38.000 -0.097 0.000 1.288 624 I HN 0.324 nan 8.210 nan 0.000 0.448 625 A N 7.203 130.432 122.820 0.681 0.000 2.309 625 A HA 0.930 5.250 4.320 -0.001 0.000 0.317 625 A C -0.944 177.004 177.584 0.607 0.000 1.134 625 A CA -0.657 51.732 52.037 0.586 0.000 0.866 625 A CB 1.860 21.059 19.000 0.332 0.000 1.329 625 A HN 0.729 nan 8.150 nan 0.000 0.477 626 I N 0.229 121.065 120.570 0.443 0.000 2.692 626 I HA 0.652 4.822 4.170 -0.001 0.000 0.293 626 I C -1.991 174.372 176.117 0.411 0.000 1.200 626 I CA -0.543 60.955 61.300 0.330 0.000 1.036 626 I CB 1.601 39.540 38.000 -0.102 0.000 1.258 626 I HN 0.942 nan 8.210 nan 0.000 0.421 627 W N 7.140 128.565 121.300 0.208 0.000 3.118 627 W HA 0.861 5.520 4.660 -0.002 0.000 0.328 627 W C -1.423 175.243 176.519 0.245 0.000 1.239 627 W CA -0.939 56.538 57.345 0.219 0.000 1.176 627 W CB 1.121 30.757 29.460 0.293 0.000 1.433 627 W HN 0.835 nan 8.180 nan 0.000 0.562 628 G N 0.786 109.515 108.800 -0.119 0.000 2.576 628 G HA2 0.492 4.451 3.960 -0.001 0.000 0.290 628 G HA3 0.492 4.451 3.960 -0.001 0.000 0.290 628 G C -2.777 172.080 174.900 -0.072 0.000 1.442 628 G CA -0.727 44.155 45.100 -0.363 0.000 0.792 628 G HN 0.600 nan 8.290 nan 0.000 0.491 629 W N 0.621 121.806 121.300 -0.192 0.000 2.761 629 W HA 0.572 5.231 4.660 -0.001 0.000 0.340 629 W C 0.977 177.507 176.519 0.019 0.000 1.072 629 W CA 0.392 57.712 57.345 -0.042 0.000 1.215 629 W CB 1.992 31.448 29.460 -0.007 0.000 1.420 629 W HN 1.212 nan 8.180 nan 0.000 0.519 630 S N 2.613 118.550 115.700 0.394 0.000 4.155 630 S HA -0.440 4.029 4.470 -0.001 0.000 0.542 630 S C 1.190 175.822 174.600 0.052 0.000 1.863 630 S CA 2.233 60.611 58.200 0.297 0.000 4.239 630 S CB -1.848 61.650 63.200 0.498 0.000 0.331 630 S HN 0.712 nan 8.310 nan 0.000 0.461 631 Y N 2.627 122.820 120.300 -0.177 0.000 2.293 631 Y HA 0.181 4.730 4.550 -0.001 0.000 0.291 631 Y C 2.438 178.261 175.900 -0.129 0.000 1.137 631 Y CA 2.175 60.144 58.100 -0.219 0.000 1.202 631 Y CB -0.999 37.169 38.460 -0.487 0.000 0.990 631 Y HN 0.496 nan 8.280 nan 0.000 0.537 632 G N -1.005 107.801 108.800 0.009 0.000 2.422 632 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 632 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 632 G C 1.906 176.838 174.900 0.053 0.000 1.140 632 G CA 0.699 45.836 45.100 0.061 0.000 0.775 632 G HN 0.554 nan 8.290 nan 0.000 0.545 633 G N -0.110 108.723 108.800 0.055 0.000 2.402 633 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 633 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 633 G C 1.588 176.518 174.900 0.049 0.000 1.162 633 G CA 1.042 46.164 45.100 0.037 0.000 0.777 633 G HN 0.407 nan 8.290 nan 0.000 0.539 634 Y N 1.459 121.673 120.300 -0.144 0.000 2.114 634 Y HA -0.135 4.414 4.550 -0.001 0.000 0.284 634 Y C 2.753 178.585 175.900 -0.114 0.000 1.143 634 Y CA 1.674 59.644 58.100 -0.216 0.000 1.135 634 Y CB -0.519 37.668 38.460 -0.455 0.000 0.980 634 Y HN 0.027 nan 8.280 nan 0.000 0.499 635 V N -0.250 119.577 119.914 -0.145 0.000 2.295 635 V HA -0.326 3.793 4.120 -0.001 0.000 0.246 635 V C 2.340 178.336 176.094 -0.163 0.000 1.049 635 V CA 2.448 64.640 62.300 -0.180 0.000 1.024 635 V CB -1.236 30.632 31.823 0.075 0.000 0.648 635 V HN 0.492 nan 8.190 nan 0.000 0.447 636 T N -0.151 114.361 114.554 -0.069 0.000 2.699 636 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 636 T C 2.136 176.792 174.700 -0.073 0.000 1.036 636 T CA 2.029 64.095 62.100 -0.057 0.000 1.147 636 T CB -0.279 68.629 68.868 0.067 0.000 0.862 636 T HN 0.506 nan 8.240 nan 0.000 0.446 637 S N 0.816 116.505 115.700 -0.018 0.000 2.383 637 S HA 0.005 4.474 4.470 -0.001 0.000 0.227 637 S C 2.106 176.631 174.600 -0.124 0.000 1.026 637 S CA 0.879 59.090 58.200 0.020 0.000 0.981 637 S CB -0.231 63.025 63.200 0.093 0.000 0.818 637 S HN 0.336 nan 8.310 nan 0.000 0.472 638 M N 0.700 120.136 119.600 -0.273 0.000 2.200 638 M HA 0.016 4.495 4.480 -0.001 0.000 0.265 638 M C 2.194 178.340 176.300 -0.256 0.000 1.066 638 M CA 0.993 56.114 55.300 -0.298 0.000 1.127 638 M CB -1.289 31.037 32.600 -0.457 0.000 1.379 638 M HN 0.170 nan 8.290 nan 0.000 0.420 639 V N 0.745 120.501 119.914 -0.263 0.000 2.358 639 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 639 V C 2.468 178.368 176.094 -0.323 0.000 1.047 639 V CA 1.341 63.479 62.300 -0.269 0.000 1.035 639 V CB -0.561 31.043 31.823 -0.366 0.000 0.658 639 V HN 0.407 nan 8.190 nan 0.000 0.452 640 L N 0.212 121.186 121.223 -0.414 0.000 2.201 640 L HA -0.011 4.329 4.340 -0.001 0.000 0.212 640 L C 2.203 178.546 176.870 -0.879 0.000 1.105 640 L CA 1.384 55.885 54.840 -0.564 0.000 0.775 640 L CB -0.671 41.022 42.059 -0.610 0.000 0.913 640 L HN 0.483 nan 8.230 nan 0.000 0.440 641 G N -1.234 107.084 108.800 -0.805 0.000 3.189 641 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.225 641 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.225 641 G C 1.546 176.278 174.900 -0.281 0.000 1.159 641 G CA 0.575 45.285 45.100 -0.650 0.000 0.763 641 G HN 0.418 nan 8.290 nan 0.000 0.549 642 S N -0.229 115.331 115.700 -0.233 0.000 2.406 642 S HA 0.252 4.721 4.470 -0.001 0.000 0.228 642 S C 1.945 176.496 174.600 -0.081 0.000 1.020 642 S CA 1.163 59.292 58.200 -0.117 0.000 0.965 642 S CB -0.305 62.849 63.200 -0.078 0.000 0.798 642 S HN 1.436 nan 8.310 nan 0.000 0.488 643 G N 1.039 109.781 108.800 -0.097 0.000 2.149 643 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.235 643 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.235 643 G C 0.822 175.709 174.900 -0.022 0.000 1.018 643 G CA 0.888 45.954 45.100 -0.057 0.000 0.728 643 G HN 1.269 nan 8.290 nan 0.000 0.508 644 S N -1.096 114.604 115.700 0.000 0.000 2.436 644 S HA 0.348 4.817 4.470 -0.001 0.000 0.228 644 S C 2.518 177.126 174.600 0.013 0.000 1.014 644 S CA 1.641 59.855 58.200 0.023 0.000 0.950 644 S CB -0.018 63.227 63.200 0.075 0.000 0.784 644 S HN 2.397 nan 8.310 nan 0.000 0.504 645 G N 0.212 109.027 108.800 0.025 0.000 2.205 645 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.261 645 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.261 645 G C 0.834 175.726 174.900 -0.013 0.000 0.980 645 G CA 0.392 45.497 45.100 0.008 0.000 0.632 645 G HN 0.688 nan 8.290 nan 0.000 0.533 646 V N -0.183 119.711 119.914 -0.034 0.000 2.453 646 V HA 0.225 4.345 4.120 -0.001 0.000 0.247 646 V C 1.249 177.127 176.094 -0.360 0.000 1.048 646 V CA 1.645 63.800 62.300 -0.242 0.000 1.049 646 V CB -0.441 31.139 31.823 -0.406 0.000 0.672 646 V HN 0.308 nan 8.190 nan 0.000 0.457 647 F N -0.143 119.822 119.950 0.026 0.000 2.443 647 F HA 0.424 4.951 4.527 -0.001 0.000 0.335 647 F C 1.052 176.896 175.800 0.072 0.000 1.104 647 F CA -0.800 57.242 58.000 0.070 0.000 1.013 647 F CB 1.420 40.468 39.000 0.079 0.000 1.136 647 F HN -0.248 nan 8.300 nan 0.000 0.470 648 K N 1.426 121.992 120.400 0.276 0.000 2.211 648 K HA 0.140 4.459 4.320 -0.001 0.000 0.201 648 K C -0.187 176.536 176.600 0.206 0.000 1.052 648 K CA 0.848 57.255 56.287 0.200 0.000 0.973 648 K CB 0.257 32.872 32.500 0.191 0.000 0.766 648 K HN 0.798 nan 8.250 nan 0.000 0.466 649 c N -2.532 116.227 118.600 0.266 0.000 3.321 649 c HA 0.904 5.473 4.570 -0.001 0.000 0.329 649 c C -0.200 174.108 174.090 0.364 0.000 1.394 649 c CA -0.645 55.862 56.329 0.296 0.000 1.291 649 c CB 1.077 43.697 42.510 0.185 0.000 1.606 649 c HN 0.334 nan 8.230 nan 0.000 0.463 650 G N -0.129 108.948 108.800 0.463 0.000 2.646 650 G HA2 0.730 4.689 3.960 -0.001 0.000 0.291 650 G HA3 0.730 4.689 3.960 -0.001 0.000 0.291 650 G C -1.990 173.113 174.900 0.339 0.000 1.445 650 G CA -0.699 44.640 45.100 0.399 0.000 0.814 650 G HN 0.985 nan 8.290 nan 0.000 0.495 651 I N 0.814 121.560 120.570 0.292 0.000 2.447 651 I HA 0.589 4.759 4.170 -0.001 0.000 0.287 651 I C 0.111 176.338 176.117 0.182 0.000 1.023 651 I CA -0.949 60.415 61.300 0.106 0.000 1.083 651 I CB 2.195 40.253 38.000 0.097 0.000 1.245 651 I HN 0.637 nan 8.210 nan 0.000 0.434 652 A N 6.650 129.464 122.820 -0.009 0.000 2.273 652 A HA 0.761 5.081 4.320 -0.001 0.000 0.315 652 A C -0.724 176.762 177.584 -0.163 0.000 1.256 652 A CA -0.493 51.547 52.037 0.005 0.000 0.851 652 A CB 1.057 20.120 19.000 0.104 0.000 1.172 652 A HN 0.445 nan 8.150 nan 0.000 0.508 653 V N 2.290 122.064 119.914 -0.233 0.000 2.384 653 V HA 0.558 4.677 4.120 -0.001 0.000 0.287 653 V C 0.939 176.627 176.094 -0.677 0.000 1.020 653 V CA 0.375 62.324 62.300 -0.585 0.000 0.850 653 V CB 0.817 32.010 31.823 -1.051 0.000 0.987 653 V HN 2.060 nan 8.190 nan 0.000 0.436 654 A N 5.717 128.128 122.820 -0.681 0.000 2.560 654 A HA -0.105 4.214 4.320 -0.001 0.000 0.299 654 A C -1.648 175.743 177.584 -0.321 0.000 1.484 654 A CA 0.538 52.064 52.037 -0.853 0.000 0.749 654 A CB -1.592 17.043 19.000 -0.608 0.000 1.072 654 A HN 0.620 nan 8.150 nan 0.000 0.426 655 P HA 0.448 nan 4.420 nan 0.000 0.276 655 P C 0.065 177.302 177.300 -0.105 0.000 1.252 655 P CA -0.246 62.805 63.100 -0.083 0.000 0.802 655 P CB 1.277 32.963 31.700 -0.023 0.000 1.035 656 V N 1.674 121.439 119.914 -0.248 0.000 2.567 656 V HA 0.132 4.251 4.120 -0.001 0.000 0.289 656 V C 1.615 177.506 176.094 -0.338 0.000 1.049 656 V CA 0.569 62.572 62.300 -0.494 0.000 0.969 656 V CB 0.997 32.116 31.823 -1.173 0.000 0.995 656 V HN 0.805 nan 8.190 nan 0.000 0.471 657 S N 3.683 119.211 115.700 -0.286 0.000 2.539 657 S HA 0.249 4.719 4.470 -0.001 0.000 0.226 657 S C 0.456 174.881 174.600 -0.292 0.000 1.054 657 S CA -0.387 57.722 58.200 -0.151 0.000 0.910 657 S CB 0.295 63.475 63.200 -0.033 0.000 0.818 657 S HN 0.839 nan 8.310 nan 0.000 0.490 658 R N -1.168 119.018 120.500 -0.524 0.000 2.536 658 R HA 0.435 4.774 4.340 -0.001 0.000 0.269 658 R C -0.953 174.970 176.300 -0.629 0.000 1.113 658 R CA -0.884 54.857 56.100 -0.599 0.000 0.948 658 R CB -0.252 29.694 30.300 -0.590 0.000 1.237 658 R HN 0.110 nan 8.270 nan 0.000 0.441 659 W N 1.574 122.763 121.300 -0.184 0.000 2.364 659 W HA -0.087 4.572 4.660 -0.002 0.000 0.281 659 W C 1.168 177.805 176.519 0.197 0.000 1.219 659 W CA 1.203 58.533 57.345 -0.025 0.000 1.220 659 W CB 0.100 29.458 29.460 -0.170 0.000 1.127 659 W HN 0.718 nan 8.180 nan 0.000 0.556 660 E N -0.938 119.433 120.200 0.284 0.000 2.401 660 E HA -0.200 4.149 4.350 -0.001 0.000 0.199 660 E C 1.362 178.111 176.600 0.249 0.000 1.023 660 E CA 0.787 57.311 56.400 0.206 0.000 0.859 660 E CB -0.264 29.452 29.700 0.027 0.000 0.780 660 E HN 0.393 nan 8.360 nan 0.000 0.523 661 Y N -1.365 119.019 120.300 0.141 0.000 2.490 661 Y HA 0.032 4.581 4.550 -0.001 0.000 0.285 661 Y C 0.825 176.820 175.900 0.158 0.000 1.117 661 Y CA -0.244 57.910 58.100 0.091 0.000 1.262 661 Y CB -0.442 38.016 38.460 -0.003 0.000 1.043 661 Y HN 0.013 nan 8.280 nan 0.000 0.553 662 Y N 2.130 122.572 120.300 0.236 0.000 2.326 662 Y HA 0.248 4.798 4.550 -0.001 0.000 0.324 662 Y C 0.371 176.491 175.900 0.366 0.000 1.291 662 Y CA -2.008 56.246 58.100 0.256 0.000 1.348 662 Y CB 0.297 38.923 38.460 0.277 0.000 1.294 662 Y HN 0.207 nan 8.280 nan 0.000 0.525 663 D N -0.336 119.816 120.400 -0.413 0.000 2.423 663 D HA 0.074 4.714 4.640 -0.001 0.000 0.238 663 D C 0.976 177.277 176.300 0.001 0.000 1.142 663 D CA 0.417 54.255 54.000 -0.270 0.000 0.884 663 D CB 0.859 41.291 40.800 -0.613 0.000 1.199 663 D HN 0.489 nan 8.370 nan 0.000 0.438 664 S N 1.518 117.233 115.700 0.025 0.000 2.351 664 S HA -0.251 4.219 4.470 -0.001 0.000 0.220 664 S C 1.938 176.578 174.600 0.066 0.000 1.035 664 S CA 1.253 59.510 58.200 0.094 0.000 1.031 664 S CB -1.085 62.174 63.200 0.098 0.000 0.928 664 S HN 0.446 nan 8.310 nan 0.000 0.433 665 V N 1.090 120.979 119.914 -0.041 0.000 2.250 665 V HA -0.230 3.889 4.120 -0.001 0.000 0.250 665 V C 2.336 178.362 176.094 -0.114 0.000 1.060 665 V CA 2.486 64.672 62.300 -0.190 0.000 1.030 665 V CB -1.153 30.404 31.823 -0.443 0.000 0.643 665 V HN 0.625 nan 8.190 nan 0.000 0.445 666 Y N 1.143 121.408 120.300 -0.057 0.000 2.153 666 Y HA -0.210 4.339 4.550 -0.001 0.000 0.289 666 Y C 2.738 178.713 175.900 0.125 0.000 1.127 666 Y CA 2.280 60.440 58.100 0.100 0.000 1.131 666 Y CB -0.709 37.974 38.460 0.372 0.000 0.995 666 Y HN 0.228 nan 8.280 nan 0.000 0.505 667 T N 0.443 115.264 114.554 0.446 0.000 2.652 667 T HA -0.219 4.131 4.350 -0.001 0.000 0.267 667 T C 1.548 176.266 174.700 0.031 0.000 1.039 667 T CA 2.035 64.323 62.100 0.314 0.000 1.153 667 T CB -0.336 68.853 68.868 0.536 0.000 0.863 667 T HN 0.439 nan 8.240 nan 0.000 0.428 668 E N 0.394 120.626 120.200 0.054 0.000 2.268 668 E HA -0.057 4.292 4.350 -0.001 0.000 0.195 668 E C 2.287 178.779 176.600 -0.181 0.000 0.995 668 E CA 0.323 56.731 56.400 0.015 0.000 0.836 668 E CB -0.094 29.654 29.700 0.080 0.000 0.763 668 E HN 0.335 nan 8.360 nan 0.000 0.491 669 R N 0.021 120.264 120.500 -0.428 0.000 2.120 669 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 669 R C 1.082 176.781 176.300 -1.001 0.000 1.123 669 R CA 1.522 57.154 56.100 -0.780 0.000 0.975 669 R CB 0.050 29.601 30.300 -1.248 0.000 0.866 669 R HN 0.249 nan 8.270 nan 0.000 0.446 670 Y N -2.357 117.593 120.300 -0.583 0.000 2.535 670 Y HA 0.229 4.778 4.550 -0.001 0.000 0.266 670 Y C 1.747 177.444 175.900 -0.338 0.000 1.088 670 Y CA -0.102 57.651 58.100 -0.579 0.000 1.285 670 Y CB 0.389 38.383 38.460 -0.776 0.000 1.166 670 Y HN -0.062 nan 8.280 nan 0.000 0.525 671 M N -0.150 119.336 119.600 -0.190 0.000 2.382 671 M HA 0.344 4.823 4.480 -0.001 0.000 0.247 671 M C 1.113 177.435 176.300 0.037 0.000 1.104 671 M CA 0.840 56.034 55.300 -0.177 0.000 1.030 671 M CB -0.501 31.806 32.600 -0.488 0.000 1.424 671 M HN 0.383 nan 8.290 nan 0.000 0.486 672 G N 1.747 110.573 108.800 0.043 0.000 2.598 672 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.244 672 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.244 672 G C -0.759 174.268 174.900 0.212 0.000 1.302 672 G CA -0.760 44.400 45.100 0.100 0.000 0.903 672 G HN 0.261 nan 8.290 nan 0.000 0.575 673 L N 2.641 123.956 121.223 0.152 0.000 2.357 673 L HA 0.558 4.897 4.340 -0.001 0.000 0.273 673 L C -1.281 175.579 176.870 -0.017 0.000 1.080 673 L CA -1.729 53.157 54.840 0.076 0.000 0.803 673 L CB 1.348 43.420 42.059 0.021 0.000 1.174 673 L HN 0.447 nan 8.230 nan 0.000 0.443 674 P HA 0.124 nan 4.420 nan 0.000 0.212 674 P C -0.860 176.291 177.300 -0.249 0.000 1.816 674 P CA -0.206 62.510 63.100 -0.641 0.000 0.944 674 P CB -0.322 30.697 31.700 -1.134 0.000 1.896 675 T N -2.816 111.676 114.554 -0.104 0.000 2.887 675 T HA 0.445 4.794 4.350 -0.001 0.000 0.288 675 T C -1.972 172.722 174.700 -0.010 0.000 1.021 675 T CA -2.482 59.588 62.100 -0.050 0.000 1.000 675 T CB 1.985 70.835 68.868 -0.030 0.000 1.034 675 T HN -0.197 nan 8.240 nan 0.000 0.467 676 P HA -0.066 nan 4.420 nan 0.000 0.223 676 P C 0.579 177.890 177.300 0.018 0.000 1.144 676 P CA 1.016 64.124 63.100 0.013 0.000 0.783 676 P CB 0.168 31.873 31.700 0.008 0.000 0.771 677 E N -0.982 119.224 120.200 0.011 0.000 2.371 677 E HA -0.039 4.311 4.350 -0.001 0.000 0.194 677 E C 1.450 178.062 176.600 0.020 0.000 1.012 677 E CA 0.548 56.955 56.400 0.012 0.000 0.860 677 E CB -0.194 29.509 29.700 0.005 0.000 0.811 677 E HN 0.289 nan 8.360 nan 0.000 0.502 678 D N -0.411 120.007 120.400 0.030 0.000 3.066 678 D HA 0.098 4.737 4.640 -0.001 0.000 0.225 678 D C 0.179 176.527 176.300 0.080 0.000 1.397 678 D CA 0.031 54.060 54.000 0.048 0.000 1.344 678 D CB 0.019 40.849 40.800 0.050 0.000 0.934 678 D HN 0.003 nan 8.370 nan 0.000 0.202 679 N N 0.301 119.081 118.700 0.132 0.000 2.365 679 N HA 0.046 4.785 4.740 -0.001 0.000 0.257 679 N C 1.254 176.952 175.510 0.313 0.000 1.287 679 N CA -0.111 53.065 53.050 0.210 0.000 0.882 679 N CB 0.864 39.498 38.487 0.244 0.000 1.250 679 N HN 0.004 nan 8.380 nan 0.000 0.507 680 L N 1.150 122.477 121.223 0.173 0.000 2.042 680 L HA -0.151 4.189 4.340 -0.001 0.000 0.210 680 L C 1.455 178.432 176.870 0.179 0.000 1.076 680 L CA 2.005 56.922 54.840 0.129 0.000 0.749 680 L CB -0.400 41.671 42.059 0.020 0.000 0.893 680 L HN 0.146 nan 8.230 nan 0.000 0.432 681 D N -1.522 118.965 120.400 0.144 0.000 2.133 681 D HA -0.259 4.380 4.640 -0.001 0.000 0.195 681 D C 2.070 178.463 176.300 0.154 0.000 0.997 681 D CA 1.716 55.791 54.000 0.125 0.000 0.840 681 D CB -0.157 40.704 40.800 0.101 0.000 0.947 681 D HN 0.589 nan 8.370 nan 0.000 0.452 682 H N -1.083 118.053 119.070 0.110 0.000 2.470 682 H HA -0.035 4.520 4.556 -0.001 0.000 0.289 682 H C 1.677 177.070 175.328 0.109 0.000 1.033 682 H CA 1.099 57.190 56.048 0.072 0.000 1.331 682 H CB -0.255 29.514 29.762 0.011 0.000 1.414 682 H HN 0.147 nan 8.280 nan 0.000 0.545 683 Y N 0.315 120.601 120.300 -0.023 0.000 2.181 683 Y HA -0.150 4.400 4.550 -0.001 0.000 0.288 683 Y C 2.166 178.030 175.900 -0.060 0.000 1.146 683 Y CA 1.373 59.464 58.100 -0.015 0.000 1.164 683 Y CB 0.188 38.672 38.460 0.042 0.000 0.982 683 Y HN 0.121 nan 8.280 nan 0.000 0.515 684 R N -0.378 120.193 120.500 0.119 0.000 2.276 684 R HA -0.025 4.314 4.340 -0.001 0.000 0.203 684 R C 0.946 177.240 176.300 -0.011 0.000 1.017 684 R CA 0.629 56.752 56.100 0.039 0.000 1.010 684 R CB -0.559 29.765 30.300 0.040 0.000 0.900 684 R HN 0.352 nan 8.270 nan 0.000 0.469 685 N N -0.201 118.464 118.700 -0.058 0.000 2.299 685 N HA -0.032 4.707 4.740 -0.001 0.000 0.187 685 N C 0.130 175.573 175.510 -0.112 0.000 1.099 685 N CA 0.214 53.225 53.050 -0.066 0.000 0.867 685 N CB 0.549 39.028 38.487 -0.014 0.000 0.974 685 N HN 0.049 nan 8.380 nan 0.000 0.477 686 S N -1.301 114.298 115.700 -0.169 0.000 2.588 686 S HA 0.133 4.603 4.470 -0.001 0.000 0.245 686 S C 0.419 175.063 174.600 0.073 0.000 1.021 686 S CA -0.738 57.433 58.200 -0.048 0.000 1.006 686 S CB -0.539 62.607 63.200 -0.089 0.000 0.830 686 S HN 0.172 nan 8.310 nan 0.000 0.468 687 T N -1.492 113.058 114.554 -0.007 0.000 2.913 687 T HA 0.508 4.857 4.350 -0.001 0.000 0.287 687 T C 1.266 175.957 174.700 -0.016 0.000 1.008 687 T CA -0.616 61.463 62.100 -0.034 0.000 1.067 687 T CB 1.325 70.145 68.868 -0.081 0.000 0.996 687 T HN -0.047 nan 8.240 nan 0.000 0.513 688 V N 2.288 122.188 119.914 -0.023 0.000 2.488 688 V HA -0.117 4.002 4.120 -0.001 0.000 0.246 688 V C 2.662 178.729 176.094 -0.046 0.000 1.046 688 V CA 1.522 63.803 62.300 -0.032 0.000 1.053 688 V CB -0.771 31.029 31.823 -0.039 0.000 0.679 688 V HN 0.894 nan 8.190 nan 0.000 0.458 689 M N 0.963 120.519 119.600 -0.073 0.000 2.446 689 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 689 M C 2.220 178.491 176.300 -0.047 0.000 1.066 689 M CA 1.958 57.207 55.300 -0.086 0.000 1.087 689 M CB -1.803 30.753 32.600 -0.074 0.000 1.406 689 M HN 0.535 nan 8.290 nan 0.000 0.459 690 S N 1.006 116.690 115.700 -0.027 0.000 2.453 690 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 690 S C 1.778 176.383 174.600 0.008 0.000 1.005 690 S CA 0.375 58.569 58.200 -0.011 0.000 0.949 690 S CB -0.396 62.798 63.200 -0.011 0.000 0.774 690 S HN 0.611 nan 8.310 nan 0.000 0.510 691 R N 0.755 121.274 120.500 0.030 0.000 2.388 691 R HA 0.480 4.819 4.340 -0.001 0.000 0.247 691 R C 2.123 178.531 176.300 0.179 0.000 0.931 691 R CA 0.420 56.564 56.100 0.073 0.000 1.082 691 R CB -0.284 30.052 30.300 0.059 0.000 1.135 691 R HN 0.465 nan 8.270 nan 0.000 0.525 692 A N 1.566 124.441 122.820 0.091 0.000 1.903 692 A HA -0.317 4.002 4.320 -0.001 0.000 0.219 692 A C 2.009 179.689 177.584 0.159 0.000 1.191 692 A CA 2.009 54.074 52.037 0.046 0.000 0.638 692 A CB -0.341 18.606 19.000 -0.089 0.000 0.823 692 A HN 0.311 nan 8.150 nan 0.000 0.451 693 E N 0.277 120.532 120.200 0.092 0.000 2.086 693 E HA -0.229 4.120 4.350 -0.001 0.000 0.200 693 E C 1.688 178.345 176.600 0.096 0.000 1.012 693 E CA 2.002 58.449 56.400 0.079 0.000 0.812 693 E CB -0.502 29.226 29.700 0.045 0.000 0.743 693 E HN 0.795 nan 8.360 nan 0.000 0.453 694 N N -1.187 117.557 118.700 0.075 0.000 2.513 694 N HA -0.137 4.602 4.740 -0.001 0.000 0.187 694 N C 0.880 176.354 175.510 -0.060 0.000 1.056 694 N CA 0.359 53.402 53.050 -0.012 0.000 0.907 694 N CB -0.167 38.267 38.487 -0.088 0.000 0.954 694 N HN 0.146 nan 8.380 nan 0.000 0.445 695 F N 1.345 121.247 119.950 -0.080 0.000 2.699 695 F HA 0.016 4.542 4.527 -0.001 0.000 0.298 695 F C 1.882 177.678 175.800 -0.006 0.000 1.154 695 F CA 0.669 58.616 58.000 -0.089 0.000 1.457 695 F CB 0.016 38.915 39.000 -0.168 0.000 1.106 695 F HN -0.081 nan 8.300 nan 0.000 0.585 696 K N -0.247 120.240 120.400 0.146 0.000 2.209 696 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 696 K C 1.491 178.143 176.600 0.087 0.000 1.048 696 K CA 0.887 57.243 56.287 0.116 0.000 0.940 696 K CB -0.083 32.466 32.500 0.082 0.000 0.729 696 K HN 0.229 nan 8.250 nan 0.000 0.451 697 Q N 0.222 120.051 119.800 0.048 0.000 2.320 697 Q HA 0.051 4.391 4.340 -0.001 0.000 0.201 697 Q C 0.495 176.523 176.000 0.047 0.000 0.910 697 Q CA 0.228 56.052 55.803 0.035 0.000 0.946 697 Q CB 0.339 29.081 28.738 0.005 0.000 1.062 697 Q HN 0.204 nan 8.270 nan 0.000 0.503 698 V N -3.468 116.490 119.914 0.074 0.000 3.181 698 V HA 0.540 4.659 4.120 -0.001 0.000 0.308 698 V C -1.202 175.018 176.094 0.211 0.000 1.214 698 V CA -1.283 61.086 62.300 0.114 0.000 1.053 698 V CB 2.488 34.342 31.823 0.052 0.000 1.069 698 V HN -0.021 nan 8.190 nan 0.000 0.441 699 E N 1.360 121.714 120.200 0.257 0.000 2.134 699 E HA 0.493 4.842 4.350 -0.001 0.000 0.278 699 E C -1.917 175.031 176.600 0.580 0.000 0.959 699 E CA -0.383 56.233 56.400 0.361 0.000 0.783 699 E CB 1.919 31.750 29.700 0.219 0.000 1.095 699 E HN 0.678 nan 8.360 nan 0.000 0.399 700 Y N 3.146 123.710 120.300 0.439 0.000 2.446 700 Y HA 0.459 5.008 4.550 -0.001 0.000 0.345 700 Y C -1.526 174.498 175.900 0.208 0.000 0.984 700 Y CA -1.213 57.099 58.100 0.353 0.000 1.058 700 Y CB 1.094 39.788 38.460 0.391 0.000 1.220 700 Y HN 0.443 nan 8.280 nan 0.000 0.455 701 L N 7.748 128.731 121.223 -0.400 0.000 2.342 701 L HA 0.475 4.815 4.340 -0.001 0.000 0.276 701 L C -1.625 174.820 176.870 -0.708 0.000 0.997 701 L CA -0.723 53.738 54.840 -0.632 0.000 0.838 701 L CB 1.065 42.443 42.059 -1.135 0.000 1.224 701 L HN 0.655 nan 8.230 nan 0.000 0.416 702 L N 6.250 127.154 121.223 -0.532 0.000 2.272 702 L HA 0.564 4.904 4.340 -0.001 0.000 0.289 702 L C -0.756 176.000 176.870 -0.191 0.000 1.032 702 L CA -0.412 54.165 54.840 -0.437 0.000 0.810 702 L CB 1.388 43.276 42.059 -0.285 0.000 1.205 702 L HN 0.585 nan 8.230 nan 0.000 0.422 703 I N 3.960 124.421 120.570 -0.182 0.000 2.545 703 I HA 0.466 4.636 4.170 -0.001 0.000 0.292 703 I C -0.941 175.167 176.117 -0.015 0.000 1.040 703 I CA -0.775 60.478 61.300 -0.078 0.000 1.068 703 I CB 2.022 39.936 38.000 -0.143 0.000 1.251 703 I HN 0.517 nan 8.210 nan 0.000 0.424 704 H N 3.191 122.317 119.070 0.093 0.000 3.137 704 H HA 0.328 4.884 4.556 -0.001 0.000 0.336 704 H C -0.637 174.934 175.328 0.406 0.000 1.055 704 H CA -0.570 55.579 56.048 0.169 0.000 1.349 704 H CB 2.264 32.053 29.762 0.044 0.000 1.939 704 H HN 0.772 nan 8.280 nan 0.000 0.487 705 G N 1.473 110.647 108.800 0.623 0.000 2.406 705 G HA2 0.190 4.149 3.960 -0.001 0.000 0.251 705 G HA3 0.190 4.149 3.960 -0.001 0.000 0.251 705 G C 1.160 176.354 174.900 0.489 0.000 1.271 705 G CA 0.302 45.713 45.100 0.517 0.000 0.859 705 G HN 0.669 nan 8.290 nan 0.000 0.540 706 T N -0.701 113.991 114.554 0.231 0.000 3.023 706 T HA 0.117 4.466 4.350 -0.001 0.000 0.266 706 T C 1.776 176.461 174.700 -0.024 0.000 1.093 706 T CA 1.232 63.292 62.100 -0.067 0.000 1.129 706 T CB 0.154 68.875 68.868 -0.245 0.000 0.899 706 T HN 0.694 nan 8.240 nan 0.000 0.491 707 A N 1.168 124.050 122.820 0.103 0.000 2.532 707 A HA 0.286 4.606 4.320 -0.001 0.000 0.273 707 A C 0.486 178.068 177.584 -0.002 0.000 1.342 707 A CA -0.471 51.615 52.037 0.082 0.000 0.929 707 A CB -0.424 18.856 19.000 0.467 0.000 1.051 707 A HN 0.398 nan 8.150 nan 0.000 0.521 708 D N 1.545 121.963 120.400 0.029 0.000 2.342 708 D HA -0.019 4.620 4.640 -0.001 0.000 0.260 708 D C 0.411 176.715 176.300 0.006 0.000 1.278 708 D CA 0.140 54.255 54.000 0.191 0.000 0.910 708 D CB 0.604 41.682 40.800 0.463 0.000 1.079 708 D HN 0.582 nan 8.370 nan 0.000 0.496 709 D N 2.421 122.853 120.400 0.053 0.000 2.323 709 D HA -0.151 4.488 4.640 -0.001 0.000 0.209 709 D C 0.985 177.258 176.300 -0.045 0.000 0.973 709 D CA -0.007 53.947 54.000 -0.077 0.000 0.874 709 D CB 0.422 41.095 40.800 -0.211 0.000 0.930 709 D HN 0.231 nan 8.370 nan 0.000 0.521 710 N N 0.923 119.715 118.700 0.153 0.000 2.335 710 N HA -0.060 4.679 4.740 -0.001 0.000 0.197 710 N C -0.017 175.474 175.510 -0.031 0.000 1.045 710 N CA 0.548 53.731 53.050 0.222 0.000 0.928 710 N CB 0.302 38.886 38.487 0.161 0.000 1.118 710 N HN -0.095 nan 8.380 nan 0.000 0.471 711 V N 3.035 122.961 119.914 0.020 0.000 2.288 711 V HA 0.205 4.325 4.120 -0.001 0.000 0.266 711 V C -0.550 175.633 176.094 0.148 0.000 1.048 711 V CA -0.442 61.894 62.300 0.060 0.000 0.842 711 V CB -0.414 31.489 31.823 0.134 0.000 1.064 711 V HN 0.297 nan 8.190 nan 0.000 0.472 712 H N 3.365 122.443 119.070 0.013 0.000 2.897 712 H HA -0.012 4.544 4.556 -0.001 0.000 0.347 712 H C 0.822 176.025 175.328 -0.209 0.000 1.068 712 H CA -0.114 55.853 56.048 -0.135 0.000 1.426 712 H CB 0.743 30.332 29.762 -0.289 0.000 1.410 712 H HN 0.618 nan 8.280 nan 0.000 0.597 713 F N 2.179 121.897 119.950 -0.386 0.000 2.184 713 F HA -0.323 4.204 4.527 -0.001 0.000 0.301 713 F C 2.596 178.125 175.800 -0.451 0.000 1.076 713 F CA 1.841 59.384 58.000 -0.762 0.000 1.295 713 F CB -0.181 38.556 39.000 -0.438 0.000 1.026 713 F HN 0.679 nan 8.300 nan 0.000 0.494 714 Q N 0.199 119.887 119.800 -0.187 0.000 2.156 714 Q HA -0.324 4.015 4.340 -0.001 0.000 0.211 714 Q C 2.062 177.858 176.000 -0.339 0.000 0.995 714 Q CA 2.337 57.985 55.803 -0.258 0.000 0.877 714 Q CB -0.423 28.124 28.738 -0.318 0.000 0.920 714 Q HN 0.601 nan 8.270 nan 0.000 0.416 715 Q N -0.329 119.313 119.800 -0.264 0.000 2.096 715 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 715 Q C 2.235 178.156 176.000 -0.132 0.000 0.982 715 Q CA 1.695 57.448 55.803 -0.084 0.000 0.850 715 Q CB -0.031 28.729 28.738 0.036 0.000 0.901 715 Q HN 0.342 nan 8.270 nan 0.000 0.422 716 S N 0.417 115.942 115.700 -0.291 0.000 2.436 716 S HA 0.021 4.491 4.470 -0.001 0.000 0.228 716 S C 1.965 176.333 174.600 -0.387 0.000 1.014 716 S CA 0.641 58.658 58.200 -0.305 0.000 0.950 716 S CB 0.009 62.993 63.200 -0.359 0.000 0.784 716 S HN 0.448 nan 8.310 nan 0.000 0.504 717 A N 1.153 123.666 122.820 -0.511 0.000 1.969 717 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 717 A C 2.094 179.591 177.584 -0.144 0.000 1.169 717 A CA 1.010 52.871 52.037 -0.293 0.000 0.635 717 A CB -0.288 18.601 19.000 -0.185 0.000 0.810 717 A HN 0.343 nan 8.150 nan 0.000 0.445 718 Q N -0.588 119.136 119.800 -0.126 0.000 2.269 718 Q HA 0.086 4.425 4.340 -0.001 0.000 0.201 718 Q C 2.052 178.006 176.000 -0.076 0.000 0.946 718 Q CA 0.735 56.510 55.803 -0.046 0.000 0.877 718 Q CB -0.190 28.592 28.738 0.074 0.000 0.963 718 Q HN 0.768 nan 8.270 nan 0.000 0.472 719 I N 1.099 121.597 120.570 -0.120 0.000 2.202 719 I HA -0.264 3.906 4.170 -0.001 0.000 0.242 719 I C 2.547 178.501 176.117 -0.272 0.000 1.091 719 I CA 1.440 62.623 61.300 -0.194 0.000 1.368 719 I CB -0.400 37.491 38.000 -0.181 0.000 1.058 719 I HN 0.173 nan 8.210 nan 0.000 0.410 720 S N 0.942 116.517 115.700 -0.208 0.000 2.383 720 S HA -0.285 4.185 4.470 -0.001 0.000 0.229 720 S C 2.047 176.621 174.600 -0.044 0.000 1.030 720 S CA 1.581 59.698 58.200 -0.138 0.000 1.002 720 S CB -0.409 62.872 63.200 0.136 0.000 0.829 720 S HN 0.376 nan 8.310 nan 0.000 0.467 721 K N 1.485 121.860 120.400 -0.042 0.000 2.097 721 K HA 0.109 4.428 4.320 -0.001 0.000 0.205 721 K C 2.250 178.827 176.600 -0.038 0.000 1.050 721 K CA 1.067 57.346 56.287 -0.013 0.000 0.938 721 K CB -0.659 31.834 32.500 -0.012 0.000 0.718 721 K HN 0.458 nan 8.250 nan 0.000 0.442 722 A N 0.919 123.684 122.820 -0.091 0.000 1.930 722 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 722 A C 2.043 179.555 177.584 -0.121 0.000 1.175 722 A CA 1.104 53.082 52.037 -0.099 0.000 0.627 722 A CB -0.493 18.430 19.000 -0.129 0.000 0.815 722 A HN 0.307 nan 8.150 nan 0.000 0.443 723 L N -0.669 120.427 121.223 -0.211 0.000 2.109 723 L HA -0.120 4.220 4.340 -0.001 0.000 0.207 723 L C 2.500 179.376 176.870 0.010 0.000 1.086 723 L CA 0.863 55.576 54.840 -0.211 0.000 0.760 723 L CB -0.552 41.164 42.059 -0.572 0.000 0.910 723 L HN 0.237 nan 8.230 nan 0.000 0.437 724 V N -0.192 119.770 119.914 0.080 0.000 2.307 724 V HA -0.274 3.845 4.120 -0.001 0.000 0.245 724 V C 1.882 178.016 176.094 0.066 0.000 1.045 724 V CA 1.884 64.262 62.300 0.130 0.000 1.024 724 V CB -0.510 31.390 31.823 0.129 0.000 0.651 724 V HN 0.395 nan 8.190 nan 0.000 0.449 725 D N -0.619 119.801 120.400 0.032 0.000 2.309 725 D HA -0.100 4.539 4.640 -0.001 0.000 0.212 725 D C 1.649 177.961 176.300 0.020 0.000 0.968 725 D CA 0.872 54.885 54.000 0.021 0.000 0.882 725 D CB 0.116 40.920 40.800 0.007 0.000 0.918 725 D HN 0.353 nan 8.370 nan 0.000 0.503 726 V N -1.015 118.911 119.914 0.020 0.000 3.578 726 V HA 0.297 4.416 4.120 -0.001 0.000 0.290 726 V C 1.158 177.278 176.094 0.044 0.000 1.376 726 V CA 0.883 63.197 62.300 0.024 0.000 1.083 726 V CB 0.137 31.967 31.823 0.011 0.000 0.911 726 V HN 0.323 nan 8.190 nan 0.000 0.433 727 G N 0.682 109.517 108.800 0.059 0.000 2.149 727 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.235 727 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.235 727 G C 0.033 174.994 174.900 0.103 0.000 1.018 727 G CA 0.289 45.434 45.100 0.075 0.000 0.728 727 G HN 0.594 nan 8.290 nan 0.000 0.508 728 V N 0.550 120.541 119.914 0.129 0.000 2.439 728 V HA 0.513 4.632 4.120 -0.001 0.000 0.282 728 V C 0.390 176.671 176.094 0.312 0.000 1.039 728 V CA -0.390 62.018 62.300 0.179 0.000 0.913 728 V CB 1.763 33.669 31.823 0.140 0.000 0.983 728 V HN 0.404 nan 8.190 nan 0.000 0.460 729 D N 3.683 124.254 120.400 0.285 0.000 2.225 729 D HA 0.658 5.298 4.640 -0.001 0.000 0.249 729 D C -0.630 175.944 176.300 0.457 0.000 1.052 729 D CA 0.090 54.263 54.000 0.288 0.000 0.909 729 D CB 0.989 41.876 40.800 0.145 0.000 1.186 729 D HN 0.339 nan 8.370 nan 0.000 0.431 730 F N -0.624 119.404 119.950 0.131 0.000 2.877 730 F HA 0.438 4.964 4.527 -0.002 0.000 0.319 730 F C -1.639 174.229 175.800 0.113 0.000 1.174 730 F CA -1.106 56.998 58.000 0.173 0.000 0.903 730 F CB 0.658 39.795 39.000 0.228 0.000 1.357 730 F HN 0.133 nan 8.300 nan 0.000 0.472 731 Q N 1.269 121.150 119.800 0.135 0.000 2.266 731 Q HA 0.841 5.181 4.340 -0.001 0.000 0.261 731 Q C -0.815 175.173 176.000 -0.020 0.000 0.985 731 Q CA -0.883 54.905 55.803 -0.025 0.000 0.873 731 Q CB 2.383 31.172 28.738 0.086 0.000 1.306 731 Q HN 1.061 nan 8.270 nan 0.000 0.447 732 A N 1.601 124.374 122.820 -0.078 0.000 2.564 732 A HA 0.903 5.222 4.320 -0.001 0.000 0.288 732 A C -1.352 176.184 177.584 -0.081 0.000 1.164 732 A CA -0.591 51.438 52.037 -0.013 0.000 0.712 732 A CB 2.132 21.180 19.000 0.079 0.000 1.303 732 A HN 0.649 nan 8.150 nan 0.000 0.418 733 M N 0.234 119.784 119.600 -0.082 0.000 2.363 733 M HA 0.481 4.961 4.480 -0.001 0.000 0.256 733 M C -2.221 173.968 176.300 -0.185 0.000 1.005 733 M CA -0.424 54.681 55.300 -0.325 0.000 0.890 733 M CB 0.580 32.905 32.600 -0.459 0.000 2.101 733 M HN 1.147 nan 8.290 nan 0.000 0.476 734 W N 4.122 125.280 121.300 -0.237 0.000 2.497 734 W HA 0.836 5.495 4.660 -0.001 0.000 0.359 734 W C -1.934 174.317 176.519 -0.448 0.000 1.131 734 W CA -0.818 56.465 57.345 -0.104 0.000 1.280 734 W CB 0.493 29.918 29.460 -0.059 0.000 1.319 734 W HN 0.623 nan 8.180 nan 0.000 0.626 735 Y N 1.898 122.348 120.300 0.250 0.000 2.363 735 Y HA 0.299 4.848 4.550 -0.001 0.000 0.325 735 Y C 0.655 176.668 175.900 0.189 0.000 0.984 735 Y CA -1.155 57.001 58.100 0.092 0.000 1.248 735 Y CB 1.527 40.015 38.460 0.047 0.000 1.116 735 Y HN 0.637 nan 8.280 nan 0.000 0.470 736 T N 0.783 115.497 114.554 0.267 0.000 2.888 736 T HA 0.138 4.487 4.350 -0.001 0.000 0.301 736 T C 0.421 175.175 174.700 0.090 0.000 1.001 736 T CA 0.147 62.331 62.100 0.139 0.000 1.147 736 T CB 0.301 69.166 68.868 -0.005 0.000 0.931 736 T HN 0.768 nan 8.240 nan 0.000 0.541 737 D N 0.666 121.093 120.400 0.046 0.000 3.046 737 D HA -0.114 4.525 4.640 -0.001 0.000 0.210 737 D C -0.051 176.365 176.300 0.193 0.000 1.124 737 D CA 1.131 55.098 54.000 -0.055 0.000 0.986 737 D CB -0.670 39.908 40.800 -0.371 0.000 1.118 737 D HN 0.725 nan 8.370 nan 0.000 0.416 738 E N 0.832 121.172 120.200 0.232 0.000 2.277 738 E HA 0.362 4.711 4.350 -0.001 0.000 0.274 738 E C 0.704 177.492 176.600 0.312 0.000 1.022 738 E CA -0.281 56.282 56.400 0.271 0.000 0.853 738 E CB 1.314 31.170 29.700 0.259 0.000 1.086 738 E HN 0.341 nan 8.360 nan 0.000 0.397 739 D N -0.543 120.055 120.400 0.330 0.000 2.509 739 D HA 0.008 4.647 4.640 -0.001 0.000 0.275 739 D C 1.129 177.672 176.300 0.405 0.000 1.189 739 D CA -0.166 54.055 54.000 0.369 0.000 1.098 739 D CB -0.166 40.878 40.800 0.406 0.000 1.177 739 D HN 0.408 nan 8.370 nan 0.000 0.599 740 H N -1.524 117.745 119.070 0.331 0.000 2.422 740 H HA 0.061 4.616 4.556 -0.001 0.000 0.298 740 H C 1.936 177.537 175.328 0.455 0.000 1.098 740 H CA 2.276 58.545 56.048 0.368 0.000 1.315 740 H CB -0.416 29.543 29.762 0.328 0.000 1.382 740 H HN 0.478 nan 8.280 nan 0.000 0.523 741 G N -0.489 108.491 108.800 0.300 0.000 2.683 741 G HA2 0.027 3.986 3.960 -0.001 0.000 0.213 741 G HA3 0.027 3.986 3.960 -0.001 0.000 0.213 741 G C 0.638 175.723 174.900 0.309 0.000 1.142 741 G CA 0.291 45.492 45.100 0.168 0.000 0.793 741 G HN 0.509 nan 8.290 nan 0.000 0.534 742 I N 0.083 120.842 120.570 0.316 0.000 6.272 742 I HA -0.329 3.841 4.170 -0.001 0.000 0.126 742 I C 1.610 177.852 176.117 0.209 0.000 1.619 742 I CA 0.119 61.550 61.300 0.218 0.000 2.452 742 I CB -1.171 36.916 38.000 0.146 0.000 3.064 742 I HN 0.253 nan 8.210 nan 0.000 0.279 743 A N 1.059 123.982 122.820 0.172 0.000 2.308 743 A HA 0.252 4.571 4.320 -0.001 0.000 0.217 743 A C 1.247 178.886 177.584 0.092 0.000 1.216 743 A CA 0.586 52.691 52.037 0.114 0.000 0.864 743 A CB 0.088 19.118 19.000 0.050 0.000 0.902 743 A HN 0.674 nan 8.150 nan 0.000 0.499 744 S N -0.306 115.463 115.700 0.116 0.000 2.563 744 S HA 0.104 4.573 4.470 -0.001 0.000 0.284 744 S C 1.230 175.892 174.600 0.104 0.000 1.331 744 S CA 0.396 58.657 58.200 0.102 0.000 1.047 744 S CB 0.924 64.190 63.200 0.111 0.000 0.859 744 S HN 0.484 nan 8.310 nan 0.000 0.514 745 S N 2.394 118.141 115.700 0.078 0.000 2.368 745 S HA -0.208 4.261 4.470 -0.001 0.000 0.226 745 S C 2.125 176.790 174.600 0.108 0.000 1.044 745 S CA 2.501 60.749 58.200 0.080 0.000 1.062 745 S CB -1.638 61.590 63.200 0.048 0.000 0.931 745 S HN 1.069 nan 8.310 nan 0.000 0.440 746 T N 0.102 114.709 114.554 0.088 0.000 2.777 746 T HA 0.116 4.466 4.350 -0.001 0.000 0.266 746 T C 1.998 176.763 174.700 0.108 0.000 1.040 746 T CA 1.440 63.594 62.100 0.090 0.000 1.141 746 T CB -1.031 67.879 68.868 0.070 0.000 0.868 746 T HN 0.487 nan 8.240 nan 0.000 0.444 747 A N 1.622 124.491 122.820 0.082 0.000 1.902 747 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 747 A C 2.220 179.780 177.584 -0.041 0.000 1.181 747 A CA 2.150 54.180 52.037 -0.012 0.000 0.623 747 A CB -1.299 17.668 19.000 -0.054 0.000 0.818 747 A HN 0.757 nan 8.150 nan 0.000 0.443 748 H N -0.189 118.876 119.070 -0.010 0.000 2.290 748 H HA -0.153 4.402 4.556 -0.001 0.000 0.298 748 H C 2.141 177.538 175.328 0.115 0.000 1.087 748 H CA 2.393 58.484 56.048 0.072 0.000 1.291 748 H CB -0.262 29.545 29.762 0.076 0.000 1.369 748 H HN 0.583 nan 8.280 nan 0.000 0.492 749 Q N -0.984 118.816 119.800 0.001 0.000 2.084 749 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 749 Q C 2.273 178.255 176.000 -0.029 0.000 0.978 749 Q CA 1.417 57.182 55.803 -0.063 0.000 0.844 749 Q CB -0.247 28.496 28.738 0.009 0.000 0.898 749 Q HN 0.645 nan 8.270 nan 0.000 0.426 750 H N 0.788 119.831 119.070 -0.044 0.000 2.321 750 H HA -0.093 4.462 4.556 -0.001 0.000 0.300 750 H C 2.031 177.349 175.328 -0.017 0.000 1.087 750 H CA 1.438 57.490 56.048 0.007 0.000 1.319 750 H CB -0.082 29.733 29.762 0.088 0.000 1.379 750 H HN 0.287 nan 8.280 nan 0.000 0.501 751 I N 0.106 120.647 120.570 -0.049 0.000 2.315 751 I HA -0.303 3.866 4.170 -0.001 0.000 0.248 751 I C 1.684 177.546 176.117 -0.426 0.000 1.117 751 I CA 1.145 62.317 61.300 -0.214 0.000 1.404 751 I CB -0.249 37.429 38.000 -0.535 0.000 1.071 751 I HN 0.129 nan 8.210 nan 0.000 0.419 752 Y N 0.767 120.851 120.300 -0.359 0.000 2.373 752 Y HA -0.145 4.404 4.550 -0.001 0.000 0.293 752 Y C 2.656 178.365 175.900 -0.319 0.000 1.129 752 Y CA 1.586 59.359 58.100 -0.545 0.000 1.226 752 Y CB -0.659 37.470 38.460 -0.552 0.000 1.000 752 Y HN 0.135 nan 8.280 nan 0.000 0.549 753 T N -1.752 112.736 114.554 -0.111 0.000 2.812 753 T HA -0.193 4.156 4.350 -0.001 0.000 0.264 753 T C 1.538 176.169 174.700 -0.116 0.000 1.042 753 T CA 1.737 63.752 62.100 -0.142 0.000 1.140 753 T CB -0.380 68.400 68.868 -0.147 0.000 0.870 753 T HN 0.374 nan 8.240 nan 0.000 0.445 754 H N 1.019 119.990 119.070 -0.165 0.000 2.321 754 H HA 0.100 4.655 4.556 -0.001 0.000 0.300 754 H C 2.168 177.503 175.328 0.011 0.000 1.087 754 H CA 1.604 57.626 56.048 -0.042 0.000 1.319 754 H CB -0.258 29.451 29.762 -0.089 0.000 1.379 754 H HN 0.252 nan 8.280 nan 0.000 0.501 755 M N -0.887 118.682 119.600 -0.052 0.000 2.159 755 M HA -0.162 4.318 4.480 -0.001 0.000 0.263 755 M C 2.423 178.868 176.300 0.242 0.000 1.063 755 M CA 1.498 56.765 55.300 -0.055 0.000 1.110 755 M CB 0.008 32.325 32.600 -0.471 0.000 1.374 755 M HN 0.174 nan 8.290 nan 0.000 0.411 756 S N -0.655 115.216 115.700 0.285 0.000 2.368 756 S HA -0.150 4.319 4.470 -0.001 0.000 0.225 756 S C 1.728 176.434 174.600 0.177 0.000 1.030 756 S CA 0.999 59.438 58.200 0.398 0.000 0.999 756 S CB -0.560 62.867 63.200 0.378 0.000 0.844 756 S HN 0.462 nan 8.310 nan 0.000 0.459 757 H N -0.134 119.010 119.070 0.124 0.000 2.352 757 H HA -0.058 4.497 4.556 -0.001 0.000 0.299 757 H C 1.982 177.323 175.328 0.021 0.000 1.097 757 H CA 1.372 57.442 56.048 0.037 0.000 1.311 757 H CB -0.736 28.993 29.762 -0.054 0.000 1.377 757 H HN 0.435 nan 8.280 nan 0.000 0.504 758 F N 1.184 121.134 119.950 0.000 0.000 2.102 758 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 758 F C 2.349 178.106 175.800 -0.072 0.000 1.105 758 F CA 0.968 58.932 58.000 -0.059 0.000 1.239 758 F CB -0.274 38.673 39.000 -0.088 0.000 0.991 758 F HN -0.035 nan 8.300 nan 0.000 0.474 759 I N 0.683 121.311 120.570 0.096 0.000 2.179 759 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 759 I C 2.289 178.264 176.117 -0.237 0.000 1.088 759 I CA 1.438 62.631 61.300 -0.178 0.000 1.357 759 I CB -1.316 36.644 38.000 -0.067 0.000 1.051 759 I HN 0.200 nan 8.210 nan 0.000 0.409 760 K N 0.353 120.736 120.400 -0.028 0.000 2.044 760 K HA -0.255 4.064 4.320 -0.001 0.000 0.210 760 K C 2.021 178.618 176.600 -0.004 0.000 1.049 760 K CA 1.436 57.746 56.287 0.039 0.000 0.927 760 K CB -0.442 32.120 32.500 0.103 0.000 0.713 760 K HN 0.418 nan 8.250 nan 0.000 0.443 761 Q N 1.305 121.063 119.800 -0.069 0.000 2.050 761 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 761 Q C 2.316 178.219 176.000 -0.162 0.000 0.980 761 Q CA 1.820 57.557 55.803 -0.109 0.000 0.840 761 Q CB -0.559 28.086 28.738 -0.155 0.000 0.898 761 Q HN 0.405 nan 8.270 nan 0.000 0.424 762 c N 0.156 118.558 118.600 -0.330 0.000 2.425 762 c HA -0.112 4.458 4.570 -0.001 0.000 0.277 762 c C 2.362 176.442 174.090 -0.018 0.000 1.280 762 c CA 0.603 56.745 56.329 -0.312 0.000 1.744 762 c CB -1.344 40.826 42.510 -0.566 0.000 1.989 762 c HN 0.581 nan 8.230 nan 0.000 0.491 763 F N 0.970 120.891 119.950 -0.047 0.000 2.698 763 F HA 0.295 4.822 4.527 -0.001 0.000 0.295 763 F C 1.648 177.438 175.800 -0.017 0.000 1.124 763 F CA 0.106 58.095 58.000 -0.018 0.000 1.426 763 F CB -0.855 38.144 39.000 -0.003 0.000 1.120 763 F HN 0.119 nan 8.300 nan 0.000 0.583 764 S N 0.000 115.794 115.700 0.156 0.000 2.498 764 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 764 S CA 0.000 58.252 58.200 0.086 0.000 1.107 764 S CB 0.000 63.242 63.200 0.069 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517