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 2oqi_1_D 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 0.000 174.653 174.600 0.088 0.000 1.055 39 S CA 0.000 58.246 58.200 0.077 0.000 1.107 39 S CB 0.000 63.264 63.200 0.107 0.000 0.593 40 R N 0.906 121.449 120.500 0.072 0.000 3.188 40 R HA -0.197 4.143 4.340 -0.000 0.000 0.684 40 R C 0.196 176.549 176.300 0.088 0.000 0.241 40 R CA 1.355 57.501 56.100 0.076 0.000 2.095 40 R CB -1.133 29.213 30.300 0.076 0.000 0.734 40 R HN 0.931 nan 8.270 nan 0.000 0.665 41 K N 0.083 120.542 120.400 0.097 0.000 2.240 41 K HA 0.477 4.797 4.320 -0.000 0.000 0.237 41 K C -0.232 176.441 176.600 0.122 0.000 1.027 41 K CA -0.030 56.321 56.287 0.107 0.000 0.937 41 K CB 1.055 33.620 32.500 0.109 0.000 1.171 41 K HN 0.910 nan 8.250 nan 0.000 0.479 42 T N -2.770 111.865 114.554 0.135 0.000 2.948 42 T HA 0.271 4.621 4.350 -0.000 0.000 0.285 42 T C -0.493 174.342 174.700 0.225 0.000 1.019 42 T CA -0.691 61.504 62.100 0.158 0.000 1.013 42 T CB 0.425 69.376 68.868 0.139 0.000 1.117 42 T HN 0.419 nan 8.240 nan 0.000 0.533 43 Y N 2.779 123.159 120.300 0.133 0.000 2.637 43 Y HA 0.352 4.902 4.550 -0.000 0.000 0.350 43 Y C 0.955 177.021 175.900 0.277 0.000 1.069 43 Y CA -0.218 58.004 58.100 0.204 0.000 1.397 43 Y CB -0.377 38.166 38.460 0.138 0.000 1.163 43 Y HN 0.986 nan 8.280 nan 0.000 0.527 44 T N 2.504 117.043 114.554 -0.025 0.000 2.897 44 T HA 0.173 4.523 4.350 -0.000 0.000 0.278 44 T C 0.991 175.580 174.700 -0.185 0.000 0.981 44 T CA -0.813 61.321 62.100 0.056 0.000 0.973 44 T CB 1.250 70.124 68.868 0.011 0.000 1.092 44 T HN 0.626 nan 8.240 nan 0.000 0.543 45 L N 1.128 122.073 121.223 -0.462 0.000 2.012 45 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 45 L C 2.674 179.383 176.870 -0.268 0.000 1.073 45 L CA 2.268 56.715 54.840 -0.654 0.000 0.748 45 L CB -1.598 39.971 42.059 -0.817 0.000 0.891 45 L HN 0.973 nan 8.230 nan 0.000 0.431 46 T N -0.555 113.866 114.554 -0.222 0.000 2.759 46 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 46 T C 1.487 176.078 174.700 -0.183 0.000 1.042 46 T CA 1.472 63.472 62.100 -0.168 0.000 1.140 46 T CB -0.437 68.356 68.868 -0.125 0.000 0.864 46 T HN 0.415 nan 8.240 nan 0.000 0.455 47 D N 0.045 120.296 120.400 -0.247 0.000 2.149 47 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 47 D C 1.718 177.906 176.300 -0.187 0.000 0.990 47 D CA 1.052 54.866 54.000 -0.310 0.000 0.839 47 D CB -0.295 40.209 40.800 -0.494 0.000 0.948 47 D HN 0.457 nan 8.370 nan 0.000 0.460 48 Y N 1.332 121.442 120.300 -0.317 0.000 2.206 48 Y HA -0.014 4.536 4.550 -0.000 0.000 0.292 48 Y C 2.171 178.072 175.900 0.002 0.000 1.123 48 Y CA 0.991 59.090 58.100 -0.001 0.000 1.142 48 Y CB -0.571 37.954 38.460 0.109 0.000 1.006 48 Y HN -0.135 nan 8.280 nan 0.000 0.518 49 L N 0.048 121.077 121.223 -0.325 0.000 2.056 49 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 49 L C 1.895 178.647 176.870 -0.197 0.000 1.078 49 L CA 1.351 55.971 54.840 -0.367 0.000 0.749 49 L CB -0.469 41.435 42.059 -0.258 0.000 0.901 49 L HN 0.032 nan 8.230 nan 0.000 0.433 50 K N 0.214 120.525 120.400 -0.147 0.000 2.458 50 K HA 0.025 4.345 4.320 -0.000 0.000 0.194 50 K C 0.109 176.655 176.600 -0.090 0.000 1.024 50 K CA -0.066 56.159 56.287 -0.105 0.000 1.108 50 K CB -0.688 31.751 32.500 -0.102 0.000 0.846 50 K HN 0.312 nan 8.250 nan 0.000 0.518 51 N N 1.701 120.353 118.700 -0.079 0.000 2.699 51 N HA -0.233 4.507 4.740 -0.000 0.000 0.256 51 N C 0.497 175.985 175.510 -0.037 0.000 0.993 51 N CA 0.463 53.507 53.050 -0.011 0.000 0.759 51 N CB -0.279 38.203 38.487 -0.007 0.000 0.906 51 N HN 0.343 nan 8.380 nan 0.000 0.541 52 T N -2.784 111.687 114.554 -0.138 0.000 2.951 52 T HA -0.131 4.219 4.350 -0.000 0.000 0.268 52 T C 0.566 175.055 174.700 -0.352 0.000 1.073 52 T CA 1.012 62.928 62.100 -0.306 0.000 1.134 52 T CB -0.126 68.437 68.868 -0.508 0.000 0.884 52 T HN 0.332 nan 8.240 nan 0.000 0.479 53 Y N 2.146 122.548 120.300 0.170 0.000 2.700 53 Y HA 0.656 5.205 4.550 -0.000 0.000 0.333 53 Y C 0.606 176.612 175.900 0.176 0.000 1.036 53 Y CA -1.971 56.246 58.100 0.195 0.000 1.287 53 Y CB 0.221 38.858 38.460 0.295 0.000 1.132 53 Y HN -0.003 nan 8.280 nan 0.000 0.510 54 R N 1.990 122.628 120.500 0.230 0.000 2.641 54 R HA 0.479 4.819 4.340 -0.000 0.000 0.269 54 R C -1.107 175.301 176.300 0.180 0.000 1.074 54 R CA -0.081 56.120 56.100 0.169 0.000 1.133 54 R CB 0.378 30.740 30.300 0.102 0.000 1.029 54 R HN 0.687 nan 8.270 nan 0.000 0.488 55 L N 2.937 124.254 121.223 0.156 0.000 2.334 55 L HA 0.494 4.834 4.340 -0.000 0.000 0.276 55 L C -0.142 176.792 176.870 0.108 0.000 1.014 55 L CA -0.761 54.170 54.840 0.151 0.000 0.815 55 L CB 1.990 44.160 42.059 0.184 0.000 1.268 55 L HN 0.546 nan 8.230 nan 0.000 0.428 56 K N 2.920 123.378 120.400 0.097 0.000 2.156 56 K HA 0.745 5.065 4.320 -0.000 0.000 0.254 56 K C -0.984 175.631 176.600 0.025 0.000 0.950 56 K CA -0.538 55.780 56.287 0.050 0.000 0.849 56 K CB 1.979 34.507 32.500 0.046 0.000 1.100 56 K HN 0.363 nan 8.250 nan 0.000 0.434 57 L N 0.578 121.730 121.223 -0.118 0.000 2.171 57 L HA 0.558 4.898 4.340 -0.000 0.000 0.253 57 L C -1.160 175.357 176.870 -0.589 0.000 1.054 57 L CA -1.167 53.408 54.840 -0.440 0.000 0.927 57 L CB 0.752 42.689 42.059 -0.202 0.000 1.513 57 L HN 0.516 nan 8.230 nan 0.000 0.471 58 Y N 0.240 119.947 120.300 -0.988 0.000 2.484 58 Y HA 0.348 4.898 4.550 -0.000 0.000 0.348 58 Y C -0.983 174.736 175.900 -0.301 0.000 1.103 58 Y CA -0.608 57.177 58.100 -0.526 0.000 1.317 58 Y CB 1.385 39.455 38.460 -0.650 0.000 1.096 58 Y HN 0.379 nan 8.280 nan 0.000 0.568 59 S N 6.344 121.975 115.700 -0.115 0.000 2.404 59 S HA 0.601 5.071 4.470 -0.000 0.000 0.309 59 S C -0.791 173.770 174.600 -0.065 0.000 1.076 59 S CA -0.551 57.607 58.200 -0.069 0.000 1.095 59 S CB -0.097 63.051 63.200 -0.086 0.000 0.972 59 S HN 0.545 nan 8.310 nan 0.000 0.484 60 L N 0.971 122.120 121.223 -0.123 0.000 2.341 60 L HA 0.785 5.125 4.340 -0.000 0.000 0.267 60 L C -0.325 176.400 176.870 -0.241 0.000 1.009 60 L CA -0.864 53.826 54.840 -0.251 0.000 0.819 60 L CB 1.106 42.646 42.059 -0.865 0.000 1.323 60 L HN 0.316 nan 8.230 nan 0.000 0.425 61 R N 1.840 122.261 120.500 -0.132 0.000 2.388 61 R HA 0.313 4.653 4.340 -0.000 0.000 0.314 61 R C -1.677 174.658 176.300 0.059 0.000 0.959 61 R CA -0.540 55.550 56.100 -0.017 0.000 0.851 61 R CB 0.785 31.119 30.300 0.056 0.000 1.168 61 R HN 0.885 nan 8.270 nan 0.000 0.472 62 W N 5.457 126.860 121.300 0.172 0.000 2.295 62 W HA 0.029 4.689 4.660 -0.000 0.000 0.335 62 W C 1.791 178.402 176.519 0.153 0.000 1.351 62 W CA -0.252 57.215 57.345 0.204 0.000 1.273 62 W CB 0.478 30.053 29.460 0.192 0.000 1.214 62 W HN 0.587 nan 8.180 nan 0.000 0.563 63 I N 0.197 121.006 120.570 0.397 0.000 4.139 63 I HA 0.291 4.461 4.170 -0.000 0.000 0.335 63 I C 0.624 176.882 176.117 0.236 0.000 1.327 63 I CA -0.066 61.370 61.300 0.226 0.000 1.112 63 I CB -0.094 37.963 38.000 0.096 0.000 1.058 63 I HN 0.281 nan 8.210 nan 0.000 0.396 64 S N -0.257 115.642 115.700 0.332 0.000 2.800 64 S HA 0.309 4.778 4.470 -0.000 0.000 0.293 64 S C -0.251 174.512 174.600 0.272 0.000 1.209 64 S CA -0.112 58.264 58.200 0.293 0.000 0.884 64 S CB 1.567 64.962 63.200 0.325 0.000 1.244 64 S HN 0.106 nan 8.310 nan 0.000 0.540 65 D N -1.186 119.355 120.400 0.235 0.000 2.369 65 D HA 0.294 4.934 4.640 -0.000 0.000 0.211 65 D C 0.638 176.805 176.300 -0.222 0.000 1.077 65 D CA 0.464 54.414 54.000 -0.084 0.000 0.842 65 D CB 0.041 40.734 40.800 -0.179 0.000 0.947 65 D HN 0.590 nan 8.370 nan 0.000 0.509 66 H N -1.472 117.758 119.070 0.267 0.000 3.400 66 H HA 0.458 5.014 4.556 -0.000 0.000 0.251 66 H C -0.120 175.378 175.328 0.282 0.000 1.040 66 H CA -0.159 56.087 56.048 0.329 0.000 1.175 66 H CB 0.690 30.583 29.762 0.218 0.000 1.487 66 H HN 0.008 nan 8.280 nan 0.000 0.505 67 E N 0.389 120.871 120.200 0.469 0.000 2.393 67 E HA 0.416 4.766 4.350 -0.000 0.000 0.273 67 E C -1.508 175.368 176.600 0.461 0.000 0.918 67 E CA -1.300 55.295 56.400 0.325 0.000 0.773 67 E CB 2.947 32.759 29.700 0.186 0.000 1.275 67 E HN 0.174 nan 8.360 nan 0.000 0.451 68 Y N -0.863 119.541 120.300 0.174 0.000 2.562 68 Y HA 0.612 5.162 4.550 -0.000 0.000 0.345 68 Y C -1.690 174.220 175.900 0.017 0.000 1.045 68 Y CA -1.357 56.712 58.100 -0.052 0.000 1.028 68 Y CB 0.749 38.772 38.460 -0.727 0.000 1.297 68 Y HN 0.378 nan 8.280 nan 0.000 0.463 69 L N 3.102 124.481 121.223 0.260 0.000 2.325 69 L HA 0.367 4.707 4.340 -0.000 0.000 0.279 69 L C -1.269 175.822 176.870 0.369 0.000 1.054 69 L CA -0.978 53.972 54.840 0.183 0.000 0.804 69 L CB 1.305 43.323 42.059 -0.068 0.000 1.200 69 L HN 0.809 nan 8.230 nan 0.000 0.436 70 Y N 3.567 124.013 120.300 0.243 0.000 2.749 70 Y HA 0.293 4.843 4.550 -0.000 0.000 0.343 70 Y C -0.232 175.676 175.900 0.013 0.000 1.015 70 Y CA -1.237 56.933 58.100 0.117 0.000 1.270 70 Y CB 0.388 38.980 38.460 0.220 0.000 1.097 70 Y HN 0.415 nan 8.280 nan 0.000 0.571 71 K N 4.152 124.324 120.400 -0.381 0.000 2.524 71 K HA 0.007 4.327 4.320 -0.000 0.000 0.279 71 K C -0.232 175.993 176.600 -0.626 0.000 0.993 71 K CA 0.639 56.686 56.287 -0.401 0.000 1.030 71 K CB 0.574 32.904 32.500 -0.283 0.000 0.891 71 K HN 0.694 nan 8.250 nan 0.000 0.488 72 Q N 0.805 120.383 119.800 -0.369 0.000 2.552 72 Q HA 0.082 4.422 4.340 -0.000 0.000 0.289 72 Q C 0.406 176.304 176.000 -0.171 0.000 1.097 72 Q CA -0.709 54.910 55.803 -0.306 0.000 0.812 72 Q CB 1.615 30.254 28.738 -0.165 0.000 1.460 72 Q HN 0.584 nan 8.270 nan 0.000 0.452 73 E N 0.018 120.149 120.200 -0.116 0.000 2.331 73 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 73 E C 0.369 176.947 176.600 -0.037 0.000 1.008 73 E CA 1.127 57.488 56.400 -0.065 0.000 0.843 73 E CB 0.352 30.026 29.700 -0.044 0.000 0.761 73 E HN 0.392 nan 8.360 nan 0.000 0.507 74 N N -0.447 118.227 118.700 -0.045 0.000 2.559 74 N HA 0.007 4.746 4.740 -0.000 0.000 0.247 74 N C -0.404 175.079 175.510 -0.045 0.000 1.063 74 N CA 0.195 53.229 53.050 -0.026 0.000 0.876 74 N CB 0.479 38.952 38.487 -0.022 0.000 1.608 74 N HN 0.074 nan 8.380 nan 0.000 0.467 75 N N 0.522 119.180 118.700 -0.070 0.000 2.277 75 N HA 0.396 5.136 4.740 -0.000 0.000 0.286 75 N C -1.101 174.347 175.510 -0.104 0.000 1.140 75 N CA -0.495 52.501 53.050 -0.090 0.000 0.799 75 N CB 1.502 39.951 38.487 -0.064 0.000 1.596 75 N HN -0.052 nan 8.380 nan 0.000 0.473 76 I N 1.207 121.704 120.570 -0.122 0.000 2.396 76 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 76 I C -0.136 176.005 176.117 0.041 0.000 1.056 76 I CA -0.389 60.860 61.300 -0.086 0.000 1.365 76 I CB 0.206 38.133 38.000 -0.122 0.000 1.407 76 I HN 0.278 nan 8.210 nan 0.000 0.509 77 L N 6.891 128.160 121.223 0.077 0.000 2.344 77 L HA 0.567 4.907 4.340 -0.000 0.000 0.272 77 L C -0.231 176.705 176.870 0.110 0.000 1.035 77 L CA -0.811 54.072 54.840 0.072 0.000 0.807 77 L CB 2.095 44.188 42.059 0.058 0.000 1.237 77 L HN 0.338 nan 8.230 nan 0.000 0.442 78 V N 2.243 122.154 119.914 -0.005 0.000 2.513 78 V HA 0.517 4.637 4.120 -0.000 0.000 0.299 78 V C -1.011 174.951 176.094 -0.220 0.000 1.035 78 V CA -0.246 62.056 62.300 0.002 0.000 0.889 78 V CB 1.523 33.410 31.823 0.107 0.000 0.988 78 V HN 0.462 nan 8.190 nan 0.000 0.440 79 F N 4.913 124.671 119.950 -0.320 0.000 2.522 79 F HA 0.530 5.056 4.527 -0.000 0.000 0.324 79 F C 0.317 175.846 175.800 -0.451 0.000 1.077 79 F CA -0.591 57.110 58.000 -0.500 0.000 0.944 79 F CB 1.908 40.275 39.000 -1.055 0.000 1.175 79 F HN 0.512 nan 8.300 nan 0.000 0.468 80 N N 1.859 120.509 118.700 -0.083 0.000 2.469 80 N HA 0.327 5.067 4.740 -0.000 0.000 0.253 80 N C 0.352 175.793 175.510 -0.115 0.000 0.970 80 N CA 0.075 53.100 53.050 -0.041 0.000 0.940 80 N CB 1.791 40.324 38.487 0.076 0.000 1.128 80 N HN 0.789 nan 8.380 nan 0.000 0.503 81 A N 3.966 126.652 122.820 -0.222 0.000 1.849 81 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 81 A C 1.838 179.113 177.584 -0.515 0.000 1.202 81 A CA 2.057 53.819 52.037 -0.458 0.000 0.629 81 A CB -0.892 17.479 19.000 -1.048 0.000 0.834 81 A HN 0.813 nan 8.150 nan 0.000 0.447 82 E N -1.201 118.654 120.200 -0.575 0.000 2.108 82 E HA -0.248 4.102 4.350 -0.000 0.000 0.203 82 E C 1.547 177.852 176.600 -0.492 0.000 1.022 82 E CA 2.467 58.574 56.400 -0.487 0.000 0.823 82 E CB -0.399 28.861 29.700 -0.732 0.000 0.744 82 E HN 0.756 nan 8.360 nan 0.000 0.456 83 Y N -2.704 117.588 120.300 -0.014 0.000 2.559 83 Y HA 0.398 4.948 4.550 -0.000 0.000 0.279 83 Y C 1.961 177.854 175.900 -0.012 0.000 1.117 83 Y CA 0.438 58.535 58.100 -0.006 0.000 1.263 83 Y CB 0.405 38.868 38.460 0.004 0.000 1.230 83 Y HN 0.191 nan 8.280 nan 0.000 0.528 84 G N 0.240 109.113 108.800 0.122 0.000 2.218 84 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 84 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 84 G C -0.050 174.949 174.900 0.165 0.000 0.994 84 G CA -0.113 45.061 45.100 0.124 0.000 0.637 84 G HN 0.420 nan 8.290 nan 0.000 0.505 85 N N 1.275 120.040 118.700 0.107 0.000 2.454 85 N HA 0.449 5.189 4.740 -0.000 0.000 0.254 85 N C 0.182 175.611 175.510 -0.134 0.000 1.228 85 N CA 0.956 54.010 53.050 0.006 0.000 0.900 85 N CB 1.390 39.881 38.487 0.007 0.000 1.089 85 N HN 1.013 nan 8.380 nan 0.000 0.449 86 S N 0.406 115.925 115.700 -0.301 0.000 2.709 86 S HA 0.824 5.294 4.470 -0.000 0.000 0.302 86 S C -0.865 173.533 174.600 -0.337 0.000 1.127 86 S CA -0.770 57.073 58.200 -0.595 0.000 0.905 86 S CB 1.473 63.848 63.200 -1.374 0.000 1.151 86 S HN 0.652 nan 8.310 nan 0.000 0.510 87 S N 0.005 115.520 115.700 -0.308 0.000 2.535 87 S HA 0.409 4.879 4.470 -0.000 0.000 0.272 87 S C -1.116 173.414 174.600 -0.117 0.000 1.149 87 S CA -0.770 57.333 58.200 -0.163 0.000 0.888 87 S CB 1.478 64.617 63.200 -0.102 0.000 1.110 87 S HN 0.782 nan 8.310 nan 0.000 0.463 88 V N 3.541 123.403 119.914 -0.087 0.000 2.458 88 V HA 0.043 4.163 4.120 -0.000 0.000 0.287 88 V C 0.810 176.892 176.094 -0.021 0.000 1.009 88 V CA 0.556 62.826 62.300 -0.051 0.000 1.091 88 V CB -0.313 31.470 31.823 -0.067 0.000 0.960 88 V HN 0.941 nan 8.190 nan 0.000 0.476 89 F N 6.765 126.662 119.950 -0.089 0.000 2.234 89 F HA 0.211 4.738 4.527 -0.000 0.000 0.296 89 F C 0.580 176.342 175.800 -0.064 0.000 1.089 89 F CA 0.669 58.630 58.000 -0.066 0.000 1.343 89 F CB 0.508 39.479 39.000 -0.049 0.000 1.040 89 F HN 0.380 nan 8.300 nan 0.000 0.498 90 L N -0.247 120.972 121.223 -0.007 0.000 2.666 90 L HA 0.430 4.770 4.340 -0.000 0.000 0.259 90 L C -1.124 175.683 176.870 -0.106 0.000 0.919 90 L CA -1.003 53.775 54.840 -0.103 0.000 0.927 90 L CB 0.531 42.564 42.059 -0.043 0.000 1.423 90 L HN -0.234 nan 8.230 nan 0.000 0.426 91 E N 2.503 122.610 120.200 -0.155 0.000 2.415 91 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 91 E C 1.300 177.817 176.600 -0.139 0.000 1.038 91 E CA 0.482 56.797 56.400 -0.140 0.000 0.921 91 E CB 0.827 30.437 29.700 -0.150 0.000 0.950 91 E HN 0.717 nan 8.360 nan 0.000 0.438 92 N N 1.538 120.189 118.700 -0.081 0.000 2.013 92 N HA -0.262 4.478 4.740 -0.000 0.000 0.195 92 N C 1.573 177.057 175.510 -0.043 0.000 1.051 92 N CA 1.819 54.852 53.050 -0.028 0.000 0.851 92 N CB -0.938 37.538 38.487 -0.017 0.000 1.044 92 N HN 0.474 nan 8.380 nan 0.000 0.422 93 S N 0.763 116.419 115.700 -0.074 0.000 2.423 93 S HA -0.192 4.278 4.470 -0.000 0.000 0.238 93 S C 1.808 176.295 174.600 -0.190 0.000 1.028 93 S CA 1.919 60.066 58.200 -0.088 0.000 1.000 93 S CB -1.415 61.736 63.200 -0.080 0.000 0.797 93 S HN 0.438 nan 8.310 nan 0.000 0.487 94 T N 1.218 115.560 114.554 -0.354 0.000 2.755 94 T HA -0.160 4.189 4.350 -0.000 0.000 0.266 94 T C 0.661 174.790 174.700 -0.951 0.000 1.041 94 T CA 1.900 63.558 62.100 -0.736 0.000 1.147 94 T CB -0.559 67.626 68.868 -1.137 0.000 0.847 94 T HN 0.668 nan 8.240 nan 0.000 0.478 95 F N 0.230 120.126 119.950 -0.090 0.000 2.724 95 F HA 0.326 4.853 4.527 -0.000 0.000 0.310 95 F C 1.263 177.083 175.800 0.033 0.000 1.107 95 F CA -1.231 56.732 58.000 -0.062 0.000 1.218 95 F CB 0.011 38.884 39.000 -0.212 0.000 1.042 95 F HN -0.089 nan 8.300 nan 0.000 0.540 96 D N 1.511 121.970 120.400 0.098 0.000 2.303 96 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 96 D C 1.400 177.758 176.300 0.098 0.000 1.011 96 D CA 1.968 56.016 54.000 0.081 0.000 0.860 96 D CB -0.416 40.399 40.800 0.024 0.000 0.961 96 D HN 0.514 nan 8.370 nan 0.000 0.453 97 E N 0.323 120.573 120.200 0.083 0.000 2.368 97 E HA 0.024 4.374 4.350 -0.000 0.000 0.283 97 E C 0.519 177.170 176.600 0.085 0.000 1.476 97 E CA -0.400 56.031 56.400 0.052 0.000 1.786 97 E CB -0.448 29.260 29.700 0.014 0.000 1.518 97 E HN 0.213 nan 8.360 nan 0.000 0.456 98 F N 1.598 121.532 119.950 -0.027 0.000 2.615 98 F HA 0.251 4.778 4.527 -0.000 0.000 0.297 98 F C 1.576 177.245 175.800 -0.218 0.000 1.124 98 F CA 0.955 58.921 58.000 -0.056 0.000 1.451 98 F CB 0.277 39.264 39.000 -0.022 0.000 1.103 98 F HN 0.413 nan 8.300 nan 0.000 0.569 99 G N -0.071 108.514 108.800 -0.359 0.000 2.179 99 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.260 99 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.260 99 G C -0.051 174.331 174.900 -0.863 0.000 0.977 99 G CA 0.453 45.175 45.100 -0.630 0.000 0.641 99 G HN 0.549 nan 8.290 nan 0.000 0.533 100 H N -0.399 118.542 119.070 -0.214 0.000 2.865 100 H HA 0.562 5.118 4.556 -0.000 0.000 0.362 100 H C -0.414 174.979 175.328 0.108 0.000 1.114 100 H CA -0.195 55.805 56.048 -0.079 0.000 1.208 100 H CB 1.511 31.070 29.762 -0.338 0.000 1.727 100 H HN 0.182 nan 8.280 nan 0.000 0.534 101 S N 3.009 118.834 115.700 0.209 0.000 2.498 101 S HA 0.234 4.704 4.470 -0.000 0.000 0.281 101 S C 0.310 174.966 174.600 0.094 0.000 1.265 101 S CA -0.506 57.766 58.200 0.120 0.000 1.071 101 S CB -0.472 62.782 63.200 0.089 0.000 0.894 101 S HN 0.391 nan 8.310 nan 0.000 0.491 102 I N 5.743 126.300 120.570 -0.022 0.000 2.336 102 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 102 I C 1.238 177.238 176.117 -0.195 0.000 0.991 102 I CA -0.519 60.672 61.300 -0.182 0.000 1.227 102 I CB 1.266 38.962 38.000 -0.508 0.000 1.366 102 I HN 0.764 nan 8.210 nan 0.000 0.466 103 N N 4.381 122.968 118.700 -0.189 0.000 2.254 103 N HA 0.059 4.799 4.740 -0.000 0.000 0.190 103 N C -0.248 175.137 175.510 -0.208 0.000 1.107 103 N CA 0.247 53.179 53.050 -0.196 0.000 0.869 103 N CB 0.718 39.053 38.487 -0.255 0.000 0.983 103 N HN 0.543 nan 8.380 nan 0.000 0.487 104 D N -1.030 119.207 120.400 -0.272 0.000 2.685 104 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 104 D C -1.601 174.535 176.300 -0.272 0.000 1.233 104 D CA -0.346 53.558 54.000 -0.160 0.000 0.760 104 D CB 1.299 42.058 40.800 -0.068 0.000 1.410 104 D HN -0.115 nan 8.370 nan 0.000 0.439 105 Y N -0.047 120.252 120.300 -0.002 0.000 2.659 105 Y HA 0.647 5.197 4.550 -0.000 0.000 0.333 105 Y C 0.243 176.211 175.900 0.114 0.000 1.064 105 Y CA -0.800 57.320 58.100 0.033 0.000 1.141 105 Y CB 2.147 40.625 38.460 0.029 0.000 1.316 105 Y HN 0.159 nan 8.280 nan 0.000 0.509 106 S N 1.169 117.089 115.700 0.366 0.000 2.481 106 S HA 0.458 4.928 4.470 -0.000 0.000 0.262 106 S C -1.616 173.274 174.600 0.484 0.000 1.061 106 S CA -0.455 57.977 58.200 0.387 0.000 1.039 106 S CB -0.117 63.313 63.200 0.384 0.000 1.170 106 S HN 0.557 nan 8.310 nan 0.000 0.437 107 I N 4.677 125.405 120.570 0.264 0.000 2.325 107 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 107 I C 0.998 176.976 176.117 -0.231 0.000 1.019 107 I CA -0.313 61.042 61.300 0.092 0.000 1.302 107 I CB 1.607 39.608 38.000 0.001 0.000 1.401 107 I HN 0.767 nan 8.210 nan 0.000 0.485 108 S N 8.113 123.344 115.700 -0.781 0.000 2.563 108 S HA 0.110 4.580 4.470 -0.000 0.000 0.284 108 S C -1.486 172.814 174.600 -0.501 0.000 1.331 108 S CA -0.937 56.415 58.200 -1.415 0.000 1.047 108 S CB 0.352 62.549 63.200 -1.673 0.000 0.859 108 S HN 0.535 nan 8.310 nan 0.000 0.514 109 P HA 0.015 nan 4.420 nan 0.000 0.250 109 P C 0.190 177.435 177.300 -0.092 0.000 1.239 109 P CA 0.493 63.524 63.100 -0.115 0.000 0.756 109 P CB 0.043 31.712 31.700 -0.051 0.000 1.013 110 D N -0.232 120.086 120.400 -0.136 0.000 2.277 110 D HA 0.047 4.686 4.640 -0.000 0.000 0.209 110 D C 1.846 178.122 176.300 -0.040 0.000 0.970 110 D CA 1.385 55.346 54.000 -0.065 0.000 0.874 110 D CB -0.083 40.712 40.800 -0.007 0.000 0.982 110 D HN 0.177 nan 8.370 nan 0.000 0.504 111 G N 0.942 109.719 108.800 -0.037 0.000 2.176 111 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.253 111 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.253 111 G C 1.059 175.964 174.900 0.008 0.000 0.979 111 G CA 0.607 45.749 45.100 0.070 0.000 0.641 111 G HN 0.399 nan 8.290 nan 0.000 0.530 112 Q N -1.399 118.322 119.800 -0.132 0.000 2.354 112 Q HA 0.429 4.769 4.340 -0.000 0.000 0.203 112 Q C 0.050 175.603 176.000 -0.744 0.000 0.933 112 Q CA 0.606 56.156 55.803 -0.422 0.000 0.901 112 Q CB 0.301 28.769 28.738 -0.450 0.000 1.007 112 Q HN 0.535 nan 8.270 nan 0.000 0.495 113 F N -0.785 119.129 119.950 -0.059 0.000 2.645 113 F HA 0.495 5.021 4.527 -0.000 0.000 0.310 113 F C -0.736 175.147 175.800 0.137 0.000 1.102 113 F CA -1.092 56.926 58.000 0.030 0.000 0.952 113 F CB 1.490 40.491 39.000 0.002 0.000 1.326 113 F HN -0.274 nan 8.300 nan 0.000 0.456 114 I N 2.685 123.598 120.570 0.571 0.000 2.545 114 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 114 I C -1.468 174.980 176.117 0.551 0.000 1.040 114 I CA -0.995 60.621 61.300 0.527 0.000 1.068 114 I CB 2.126 40.422 38.000 0.494 0.000 1.251 114 I HN 0.259 nan 8.210 nan 0.000 0.424 115 L N 6.691 128.242 121.223 0.547 0.000 2.289 115 L HA 0.532 4.872 4.340 -0.000 0.000 0.285 115 L C -0.835 176.145 176.870 0.183 0.000 1.049 115 L CA -0.150 54.903 54.840 0.355 0.000 0.804 115 L CB 1.208 43.433 42.059 0.277 0.000 1.195 115 L HN 0.434 nan 8.230 nan 0.000 0.428 116 L N 4.667 125.917 121.223 0.046 0.000 2.298 116 L HA 0.493 4.832 4.340 -0.000 0.000 0.284 116 L C -0.175 176.620 176.870 -0.126 0.000 1.013 116 L CA -0.411 54.304 54.840 -0.208 0.000 0.824 116 L CB 1.549 43.299 42.059 -0.514 0.000 1.221 116 L HN 0.595 nan 8.230 nan 0.000 0.418 117 E N 3.986 124.050 120.200 -0.227 0.000 2.174 117 E HA 0.449 4.799 4.350 -0.000 0.000 0.282 117 E C -1.566 174.938 176.600 -0.159 0.000 0.992 117 E CA -0.484 55.700 56.400 -0.360 0.000 0.803 117 E CB 1.039 30.583 29.700 -0.260 0.000 1.090 117 E HN 0.443 nan 8.360 nan 0.000 0.396 118 Y N 1.497 121.578 120.300 -0.365 0.000 2.728 118 Y HA 0.423 4.973 4.550 -0.000 0.000 0.330 118 Y C -0.196 175.593 175.900 -0.185 0.000 1.234 118 Y CA -1.706 56.271 58.100 -0.205 0.000 1.070 118 Y CB 0.389 38.789 38.460 -0.098 0.000 1.300 118 Y HN 0.510 nan 8.280 nan 0.000 0.467 119 N N -0.153 118.503 118.700 -0.072 0.000 2.727 119 N HA -0.295 4.444 4.740 -0.000 0.000 0.249 119 N C -1.055 174.390 175.510 -0.108 0.000 1.048 119 N CA 1.039 53.998 53.050 -0.151 0.000 0.714 119 N CB -1.374 36.904 38.487 -0.348 0.000 0.959 119 N HN 0.842 nan 8.380 nan 0.000 0.544 120 Y N 0.111 120.320 120.300 -0.151 0.000 2.544 120 Y HA 0.322 4.872 4.550 -0.000 0.000 0.330 120 Y C -0.012 175.845 175.900 -0.072 0.000 1.136 120 Y CA -0.104 57.919 58.100 -0.128 0.000 1.417 120 Y CB 0.774 39.121 38.460 -0.188 0.000 1.229 120 Y HN -0.014 nan 8.280 nan 0.000 0.532 121 V N 7.995 127.518 119.914 -0.652 0.000 2.419 121 V HA 0.205 4.325 4.120 -0.000 0.000 0.287 121 V C -0.311 175.363 176.094 -0.700 0.000 1.017 121 V CA -1.389 60.576 62.300 -0.559 0.000 0.844 121 V CB 1.203 32.869 31.823 -0.262 0.000 1.011 121 V HN 0.769 nan 8.190 nan 0.000 0.429 122 K N 3.639 123.570 120.400 -0.782 0.000 2.382 122 K HA 0.233 4.553 4.320 -0.000 0.000 0.275 122 K C 0.460 176.910 176.600 -0.250 0.000 1.009 122 K CA 0.211 56.252 56.287 -0.410 0.000 0.970 122 K CB 1.260 33.694 32.500 -0.111 0.000 0.934 122 K HN 0.806 nan 8.250 nan 0.000 0.479 123 Q N 2.999 122.661 119.800 -0.230 0.000 2.471 123 Q HA 0.171 4.511 4.340 -0.000 0.000 0.207 123 Q C 0.053 175.916 176.000 -0.229 0.000 0.889 123 Q CA -0.414 55.091 55.803 -0.496 0.000 0.726 123 Q CB 0.100 28.339 28.738 -0.833 0.000 2.132 123 Q HN 0.746 nan 8.270 nan 0.000 0.531 124 W N 0.122 121.423 121.300 0.001 0.000 1.756 124 W HA 0.288 4.948 4.660 -0.000 0.000 0.638 124 W C 1.909 178.415 176.519 -0.022 0.000 1.472 124 W CA -0.505 56.862 57.345 0.037 0.000 1.437 124 W CB -0.148 29.293 29.460 -0.031 0.000 3.368 124 W HN 0.310 nan 8.180 nan 0.000 0.771 125 R N -0.630 119.970 120.500 0.167 0.000 2.075 125 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 125 R C 1.729 177.830 176.300 -0.331 0.000 1.126 125 R CA 1.951 57.945 56.100 -0.176 0.000 0.963 125 R CB -0.484 29.554 30.300 -0.437 0.000 0.858 125 R HN 0.446 nan 8.270 nan 0.000 0.435 126 H N -1.246 117.915 119.070 0.152 0.000 2.926 126 H HA 0.246 4.802 4.556 -0.000 0.000 0.249 126 H C 0.504 175.952 175.328 0.201 0.000 0.963 126 H CA 0.469 56.629 56.048 0.187 0.000 1.158 126 H CB 0.033 29.876 29.762 0.135 0.000 1.445 126 H HN 0.216 nan 8.280 nan 0.000 0.452 127 S N 1.319 117.051 115.700 0.053 0.000 2.589 127 S HA 0.313 4.783 4.470 -0.000 0.000 0.265 127 S C -0.180 174.344 174.600 -0.128 0.000 1.342 127 S CA -0.249 57.676 58.200 -0.459 0.000 1.005 127 S CB 0.665 63.041 63.200 -1.373 0.000 0.909 127 S HN 0.516 nan 8.310 nan 0.000 0.555 128 Y N -2.983 117.186 120.300 -0.219 0.000 2.927 128 Y HA 0.517 5.067 4.550 -0.000 0.000 0.392 128 Y C -1.089 174.831 175.900 0.034 0.000 1.159 128 Y CA -0.789 57.223 58.100 -0.148 0.000 1.220 128 Y CB 0.203 38.608 38.460 -0.090 0.000 1.506 128 Y HN 1.054 nan 8.280 nan 0.000 0.481 129 T N 0.102 114.766 114.554 0.183 0.000 2.906 129 T HA 1.051 5.401 4.350 -0.000 0.000 0.295 129 T C -0.577 174.245 174.700 0.203 0.000 1.075 129 T CA -0.141 62.059 62.100 0.167 0.000 1.005 129 T CB 1.849 70.750 68.868 0.054 0.000 1.136 129 T HN 2.101 nan 8.240 nan 0.000 0.498 130 A N 0.941 123.849 122.820 0.147 0.000 2.493 130 A HA 0.841 5.161 4.320 -0.000 0.000 0.300 130 A C -0.807 176.585 177.584 -0.319 0.000 1.152 130 A CA -1.001 50.970 52.037 -0.110 0.000 0.643 130 A CB 0.926 19.847 19.000 -0.131 0.000 1.316 130 A HN 0.956 nan 8.150 nan 0.000 0.469 131 S N -0.770 114.464 115.700 -0.777 0.000 2.578 131 S HA 0.796 5.266 4.470 -0.000 0.000 0.301 131 S C -1.588 172.387 174.600 -1.042 0.000 1.091 131 S CA -0.141 57.529 58.200 -0.882 0.000 1.032 131 S CB 0.827 63.203 63.200 -1.373 0.000 1.064 131 S HN 0.450 nan 8.310 nan 0.000 0.508 132 Y N 0.194 120.302 120.300 -0.321 0.000 2.477 132 Y HA 0.530 5.080 4.550 -0.000 0.000 0.347 132 Y C -0.362 175.573 175.900 0.059 0.000 0.981 132 Y CA -0.921 57.118 58.100 -0.103 0.000 1.033 132 Y CB 1.721 40.045 38.460 -0.226 0.000 1.245 132 Y HN 0.493 nan 8.280 nan 0.000 0.455 133 D N 2.600 123.163 120.400 0.272 0.000 2.780 133 D HA 0.504 5.144 4.640 -0.000 0.000 0.242 133 D C -1.000 175.389 176.300 0.149 0.000 1.135 133 D CA -0.328 53.801 54.000 0.215 0.000 0.859 133 D CB 2.500 43.482 40.800 0.303 0.000 1.530 133 D HN 0.412 nan 8.370 nan 0.000 0.493 134 I N 2.568 123.225 120.570 0.145 0.000 2.355 134 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 134 I C -0.610 175.690 176.117 0.304 0.000 0.999 134 I CA -0.897 60.523 61.300 0.200 0.000 1.163 134 I CB 0.935 38.978 38.000 0.072 0.000 1.316 134 I HN 0.214 nan 8.210 nan 0.000 0.454 135 Y N 5.617 126.070 120.300 0.256 0.000 2.299 135 Y HA 0.222 4.772 4.550 -0.000 0.000 0.326 135 Y C 0.163 176.311 175.900 0.412 0.000 1.164 135 Y CA -0.379 57.901 58.100 0.301 0.000 1.234 135 Y CB 0.944 39.602 38.460 0.330 0.000 1.219 135 Y HN 0.465 nan 8.280 nan 0.000 0.497 136 D N 6.219 126.537 120.400 -0.137 0.000 2.443 136 D HA 0.120 4.760 4.640 -0.000 0.000 0.221 136 D C 0.736 176.840 176.300 -0.328 0.000 1.097 136 D CA 0.010 53.977 54.000 -0.056 0.000 0.865 136 D CB 0.733 41.539 40.800 0.010 0.000 1.034 136 D HN 0.805 nan 8.370 nan 0.000 0.511 137 L N 3.083 124.182 121.223 -0.206 0.000 2.191 137 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 137 L C 1.870 178.616 176.870 -0.206 0.000 1.103 137 L CA 0.596 55.353 54.840 -0.139 0.000 0.769 137 L CB -0.348 41.646 42.059 -0.110 0.000 0.908 137 L HN 0.376 nan 8.230 nan 0.000 0.438 138 N N 1.692 120.228 118.700 -0.274 0.000 2.073 138 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 138 N C 1.465 176.878 175.510 -0.161 0.000 1.075 138 N CA 1.424 54.350 53.050 -0.206 0.000 0.866 138 N CB -0.521 37.837 38.487 -0.216 0.000 1.051 138 N HN 0.376 nan 8.380 nan 0.000 0.437 139 K N 1.841 122.152 120.400 -0.148 0.000 2.643 139 K HA 0.063 4.383 4.320 -0.000 0.000 0.193 139 K C -0.456 176.046 176.600 -0.163 0.000 1.027 139 K CA 0.099 56.314 56.287 -0.120 0.000 1.033 139 K CB -0.248 32.205 32.500 -0.078 0.000 0.827 139 K HN 0.156 nan 8.250 nan 0.000 0.500 140 R N 0.458 120.809 120.500 -0.248 0.000 3.092 140 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 140 R C -0.866 175.198 176.300 -0.393 0.000 0.881 140 R CA 0.691 56.600 56.100 -0.318 0.000 0.614 140 R CB -1.861 28.405 30.300 -0.055 0.000 1.128 140 R HN 0.549 nan 8.270 nan 0.000 0.483 141 Q N 0.178 119.580 119.800 -0.663 0.000 2.377 141 Q HA 0.534 4.874 4.340 -0.000 0.000 0.279 141 Q C -0.981 174.901 176.000 -0.197 0.000 1.049 141 Q CA -0.744 54.901 55.803 -0.265 0.000 0.825 141 Q CB 1.819 30.494 28.738 -0.105 0.000 1.401 141 Q HN 0.337 nan 8.270 nan 0.000 0.404 142 L N 3.144 124.464 121.223 0.162 0.000 2.397 142 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 142 L C -0.178 176.775 176.870 0.138 0.000 1.148 142 L CA -0.301 54.708 54.840 0.282 0.000 0.825 142 L CB 0.577 42.848 42.059 0.353 0.000 1.117 142 L HN 0.570 nan 8.230 nan 0.000 0.456 143 I N 2.100 122.743 120.570 0.122 0.000 2.352 143 I HA 0.047 4.217 4.170 -0.000 0.000 0.290 143 I C 1.183 177.332 176.117 0.053 0.000 1.036 143 I CA -0.024 61.312 61.300 0.061 0.000 1.336 143 I CB 1.441 39.455 38.000 0.023 0.000 1.407 143 I HN 0.735 nan 8.210 nan 0.000 0.497 144 T N 1.238 115.814 114.554 0.036 0.000 3.060 144 T HA 0.103 4.453 4.350 -0.000 0.000 0.249 144 T C 0.508 175.205 174.700 -0.006 0.000 1.079 144 T CA -0.246 61.868 62.100 0.025 0.000 1.013 144 T CB 0.031 68.915 68.868 0.028 0.000 0.975 144 T HN 0.643 nan 8.240 nan 0.000 0.518 145 E N 1.202 121.391 120.200 -0.019 0.000 2.221 145 E HA 0.276 4.626 4.350 -0.000 0.000 0.268 145 E C -0.619 175.943 176.600 -0.063 0.000 0.933 145 E CA -0.673 55.704 56.400 -0.038 0.000 0.809 145 E CB 1.009 30.691 29.700 -0.031 0.000 1.190 145 E HN 0.081 nan 8.360 nan 0.000 0.406 146 E N 0.072 120.224 120.200 -0.081 0.000 2.440 146 E HA -0.252 4.098 4.350 -0.000 0.000 0.246 146 E C 0.115 176.632 176.600 -0.140 0.000 1.165 146 E CA 1.123 57.456 56.400 -0.111 0.000 0.726 146 E CB -1.649 27.990 29.700 -0.102 0.000 1.271 146 E HN 0.748 nan 8.360 nan 0.000 0.397 147 R N 0.032 120.451 120.500 -0.136 0.000 2.694 147 R HA 0.390 4.730 4.340 -0.000 0.000 0.268 147 R C 0.727 176.864 176.300 -0.271 0.000 1.061 147 R CA -0.413 55.593 56.100 -0.157 0.000 1.133 147 R CB 0.478 30.723 30.300 -0.091 0.000 1.020 147 R HN 0.041 nan 8.270 nan 0.000 0.475 148 I N 3.137 123.503 120.570 -0.340 0.000 2.710 148 I HA 0.065 4.235 4.170 -0.000 0.000 0.286 148 I C -1.662 174.140 176.117 -0.525 0.000 1.181 148 I CA -1.854 59.082 61.300 -0.608 0.000 1.430 148 I CB 0.444 38.046 38.000 -0.663 0.000 1.367 148 I HN 0.568 nan 8.210 nan 0.000 0.577 149 P HA 0.050 nan 4.420 nan 0.000 0.272 149 P C -0.760 176.320 177.300 -0.366 0.000 1.248 149 P CA -0.237 62.454 63.100 -0.681 0.000 0.799 149 P CB 0.403 31.234 31.700 -1.449 0.000 0.997 150 N N 1.108 119.695 118.700 -0.188 0.000 2.413 150 N HA 0.122 4.861 4.740 -0.000 0.000 0.266 150 N C 0.157 175.734 175.510 0.112 0.000 1.238 150 N CA -0.186 52.818 53.050 -0.078 0.000 0.972 150 N CB -0.229 38.217 38.487 -0.069 0.000 1.210 150 N HN 0.394 nan 8.380 nan 0.000 0.547 151 N N -0.958 117.784 118.700 0.071 0.000 2.721 151 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 151 N C -0.825 174.837 175.510 0.254 0.000 1.072 151 N CA 0.752 53.880 53.050 0.129 0.000 0.710 151 N CB -1.752 36.806 38.487 0.117 0.000 0.993 151 N HN 0.455 nan 8.380 nan 0.000 0.547 152 T N 0.735 115.438 114.554 0.248 0.000 2.884 152 T HA 0.164 4.514 4.350 -0.000 0.000 0.298 152 T C 1.709 176.537 174.700 0.213 0.000 0.998 152 T CA -0.098 62.160 62.100 0.264 0.000 1.124 152 T CB 1.375 70.284 68.868 0.068 0.000 0.931 152 T HN 0.181 nan 8.240 nan 0.000 0.531 153 Q N 1.559 121.476 119.800 0.196 0.000 2.302 153 Q HA 0.165 4.504 4.340 -0.000 0.000 0.202 153 Q C 0.073 176.202 176.000 0.215 0.000 0.936 153 Q CA 0.387 56.323 55.803 0.220 0.000 0.886 153 Q CB 0.846 29.695 28.738 0.184 0.000 0.986 153 Q HN 0.680 nan 8.270 nan 0.000 0.487 154 W N 0.309 121.538 121.300 -0.118 0.000 3.624 154 W HA 0.452 5.112 4.660 -0.000 0.000 0.312 154 W C -2.195 174.218 176.519 -0.177 0.000 1.203 154 W CA -0.662 56.577 57.345 -0.176 0.000 1.225 154 W CB 1.363 30.669 29.460 -0.255 0.000 1.321 154 W HN -0.361 nan 8.180 nan 0.000 0.506 155 V N 3.631 122.808 119.914 -1.228 0.000 2.789 155 V HA 0.727 4.847 4.120 -0.000 0.000 0.311 155 V C -0.385 175.082 176.094 -1.044 0.000 1.073 155 V CA -0.674 61.028 62.300 -0.996 0.000 0.921 155 V CB 1.779 32.888 31.823 -1.190 0.000 1.009 155 V HN 0.474 nan 8.190 nan 0.000 0.426 156 T N 3.172 117.416 114.554 -0.516 0.000 3.395 156 T HA 0.418 4.768 4.350 -0.000 0.000 0.330 156 T C -1.109 173.620 174.700 0.049 0.000 1.076 156 T CA -0.364 61.629 62.100 -0.177 0.000 1.070 156 T CB 0.444 69.427 68.868 0.192 0.000 1.119 156 T HN 0.524 nan 8.240 nan 0.000 0.462 157 W N 3.217 124.550 121.300 0.055 0.000 2.042 157 W HA 0.420 5.080 4.660 -0.000 0.000 0.358 157 W C 1.324 177.702 176.519 -0.236 0.000 1.325 157 W CA -0.373 56.960 57.345 -0.020 0.000 1.311 157 W CB 0.425 29.881 29.460 -0.006 0.000 1.210 157 W HN 0.771 nan 8.180 nan 0.000 0.620 158 S N 0.301 115.851 115.700 -0.250 0.000 2.617 158 S HA 0.249 4.719 4.470 -0.000 0.000 0.269 158 S C -1.896 172.489 174.600 -0.358 0.000 1.292 158 S CA -1.139 56.472 58.200 -0.981 0.000 1.010 158 S CB 1.268 63.849 63.200 -1.031 0.000 0.944 158 S HN 0.230 nan 8.310 nan 0.000 0.536 159 P HA -0.056 nan 4.420 nan 0.000 0.221 159 P C 1.137 178.401 177.300 -0.060 0.000 1.145 159 P CA 1.026 64.083 63.100 -0.072 0.000 0.795 159 P CB -0.096 31.591 31.700 -0.022 0.000 0.775 160 V N -6.151 113.692 119.914 -0.119 0.000 3.177 160 V HA 0.424 4.544 4.120 -0.000 0.000 0.219 160 V C 1.729 177.756 176.094 -0.111 0.000 1.344 160 V CA 0.712 62.960 62.300 -0.086 0.000 1.324 160 V CB -1.101 30.679 31.823 -0.071 0.000 1.165 160 V HN 0.023 nan 8.190 nan 0.000 0.510 161 G N 1.630 110.336 108.800 -0.158 0.000 2.948 161 G HA2 0.161 4.121 3.960 -0.000 0.000 0.174 161 G HA3 0.161 4.121 3.960 -0.000 0.000 0.174 161 G C 0.754 175.589 174.900 -0.109 0.000 1.839 161 G CA 0.876 45.854 45.100 -0.204 0.000 0.908 161 G HN 1.089 nan 8.290 nan 0.000 0.419 162 H N -1.665 117.422 119.070 0.028 0.000 3.377 162 H HA 0.371 4.927 4.556 -0.000 0.000 0.243 162 H C -0.277 175.255 175.328 0.339 0.000 1.264 162 H CA -0.558 55.578 56.048 0.146 0.000 1.021 162 H CB -0.291 29.578 29.762 0.178 0.000 2.781 162 H HN 0.159 nan 8.280 nan 0.000 0.643 163 K N 1.646 122.226 120.400 0.299 0.000 2.180 163 K HA 0.441 4.761 4.320 -0.000 0.000 0.251 163 K C -0.490 176.268 176.600 0.264 0.000 1.014 163 K CA -0.277 56.142 56.287 0.220 0.000 0.913 163 K CB 1.505 33.970 32.500 -0.058 0.000 1.008 163 K HN 0.160 nan 8.250 nan 0.000 0.490 164 L N 0.898 122.281 121.223 0.266 0.000 2.408 164 L HA 0.544 4.883 4.340 -0.000 0.000 0.268 164 L C -1.132 175.931 176.870 0.322 0.000 0.986 164 L CA -0.805 54.130 54.840 0.158 0.000 0.820 164 L CB 2.144 44.136 42.059 -0.110 0.000 1.303 164 L HN 0.719 nan 8.230 nan 0.000 0.411 165 A N 2.949 125.948 122.820 0.298 0.000 2.356 165 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 165 A C -1.654 175.958 177.584 0.047 0.000 1.075 165 A CA -0.366 51.742 52.037 0.119 0.000 0.746 165 A CB 1.291 20.306 19.000 0.025 0.000 1.221 165 A HN 0.645 nan 8.150 nan 0.000 0.443 166 Y N -0.537 119.719 120.300 -0.074 0.000 2.597 166 Y HA 0.757 5.307 4.550 -0.000 0.000 0.340 166 Y C -1.248 174.663 175.900 0.018 0.000 1.097 166 Y CA -1.544 56.484 58.100 -0.119 0.000 1.037 166 Y CB 0.914 39.225 38.460 -0.249 0.000 1.305 166 Y HN 0.430 nan 8.280 nan 0.000 0.463 167 V N 2.025 122.085 119.914 0.243 0.000 2.581 167 V HA 0.470 4.590 4.120 -0.000 0.000 0.303 167 V C -1.453 174.877 176.094 0.394 0.000 1.041 167 V CA -0.614 61.807 62.300 0.202 0.000 0.907 167 V CB 1.615 33.460 31.823 0.037 0.000 0.994 167 V HN 0.892 nan 8.190 nan 0.000 0.442 168 W N 4.671 126.073 121.300 0.170 0.000 3.544 168 W HA 0.437 5.097 4.660 -0.000 0.000 0.326 168 W C -0.034 176.539 176.519 0.090 0.000 1.137 168 W CA -0.711 56.696 57.345 0.104 0.000 1.252 168 W CB 1.022 30.505 29.460 0.038 0.000 1.302 168 W HN 0.785 nan 8.180 nan 0.000 0.467 169 N N 5.571 123.948 118.700 -0.538 0.000 2.740 169 N HA -0.323 4.417 4.740 -0.000 0.000 0.248 169 N C 0.189 175.546 175.510 -0.254 0.000 1.062 169 N CA 0.929 53.654 53.050 -0.541 0.000 0.704 169 N CB -1.167 36.813 38.487 -0.844 0.000 0.968 169 N HN 0.831 nan 8.380 nan 0.000 0.547 170 N N -1.831 116.773 118.700 -0.158 0.000 2.732 170 N HA -0.193 4.547 4.740 -0.000 0.000 0.250 170 N C -1.232 174.198 175.510 -0.133 0.000 1.097 170 N CA 1.133 54.105 53.050 -0.130 0.000 0.812 170 N CB -0.364 38.001 38.487 -0.202 0.000 1.148 170 N HN 0.472 nan 8.380 nan 0.000 0.572 171 D N 0.505 120.848 120.400 -0.094 0.000 2.342 171 D HA 0.456 5.096 4.640 -0.000 0.000 0.243 171 D C 0.222 176.358 176.300 -0.273 0.000 1.019 171 D CA -0.398 53.462 54.000 -0.233 0.000 0.864 171 D CB 1.598 42.215 40.800 -0.305 0.000 1.315 171 D HN 0.027 nan 8.370 nan 0.000 0.468 172 I N 1.925 122.166 120.570 -0.548 0.000 2.365 172 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 172 I C -0.698 174.940 176.117 -0.798 0.000 1.004 172 I CA -0.398 60.569 61.300 -0.556 0.000 1.311 172 I CB 0.456 38.070 38.000 -0.644 0.000 1.401 172 I HN 0.146 nan 8.210 nan 0.000 0.491 173 Y N 4.483 124.384 120.300 -0.665 0.000 2.462 173 Y HA 0.565 5.115 4.550 -0.000 0.000 0.346 173 Y C -0.233 175.301 175.900 -0.609 0.000 0.976 173 Y CA -0.920 56.731 58.100 -0.749 0.000 1.044 173 Y CB 1.997 39.701 38.460 -1.261 0.000 1.230 173 Y HN 0.128 nan 8.280 nan 0.000 0.455 174 V N 3.308 123.139 119.914 -0.139 0.000 2.495 174 V HA 0.453 4.573 4.120 -0.000 0.000 0.298 174 V C -0.622 175.568 176.094 0.160 0.000 1.031 174 V CA -1.280 61.050 62.300 0.050 0.000 0.871 174 V CB 1.857 33.759 31.823 0.131 0.000 0.988 174 V HN 0.620 nan 8.190 nan 0.000 0.432 175 K N 4.132 124.643 120.400 0.184 0.000 2.521 175 K HA 0.519 4.839 4.320 -0.000 0.000 0.248 175 K C 0.564 177.281 176.600 0.195 0.000 0.978 175 K CA -0.416 55.952 56.287 0.135 0.000 0.947 175 K CB 1.390 33.942 32.500 0.086 0.000 1.165 175 K HN 0.596 nan 8.250 nan 0.000 0.445 176 I N 1.255 121.967 120.570 0.237 0.000 2.756 176 I HA -0.123 4.047 4.170 -0.000 0.000 0.262 176 I C 0.248 176.509 176.117 0.240 0.000 1.225 176 I CA 1.190 62.647 61.300 0.262 0.000 1.472 176 I CB 0.241 38.421 38.000 0.301 0.000 1.094 176 I HN 0.416 nan 8.210 nan 0.000 0.454 177 E N -0.629 119.649 120.200 0.130 0.000 2.290 177 E HA 0.235 4.585 4.350 -0.000 0.000 0.274 177 E C -1.955 174.577 176.600 -0.114 0.000 0.889 177 E CA -1.843 54.578 56.400 0.034 0.000 0.760 177 E CB 1.805 31.535 29.700 0.050 0.000 1.206 177 E HN -0.255 nan 8.360 nan 0.000 0.419 178 P HA -0.183 nan 4.420 nan 0.000 0.218 178 P C 0.689 177.851 177.300 -0.230 0.000 1.146 178 P CA 1.423 64.290 63.100 -0.388 0.000 0.820 178 P CB 0.315 31.464 31.700 -0.918 0.000 0.778 179 N N -2.254 116.345 118.700 -0.168 0.000 2.200 179 N HA 0.073 4.813 4.740 -0.000 0.000 0.224 179 N C -0.213 175.252 175.510 -0.075 0.000 1.179 179 N CA 0.050 53.041 53.050 -0.098 0.000 0.877 179 N CB -0.085 38.367 38.487 -0.058 0.000 1.072 179 N HN 0.037 nan 8.380 nan 0.000 0.519 180 L N 0.940 122.114 121.223 -0.081 0.000 2.358 180 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 180 L C -2.205 174.587 176.870 -0.130 0.000 1.032 180 L CA -2.173 52.617 54.840 -0.084 0.000 0.805 180 L CB 0.999 43.020 42.059 -0.064 0.000 1.253 180 L HN -0.124 nan 8.230 nan 0.000 0.452 181 P HA 0.033 nan 4.420 nan 0.000 0.265 181 P C -0.672 176.447 177.300 -0.302 0.000 1.193 181 P CA -0.051 62.934 63.100 -0.191 0.000 0.765 181 P CB 0.546 32.145 31.700 -0.169 0.000 0.823 182 S N 3.182 118.768 115.700 -0.190 0.000 2.549 182 S HA 0.198 4.668 4.470 -0.000 0.000 0.279 182 S C -0.714 173.795 174.600 -0.152 0.000 1.321 182 S CA -0.230 57.892 58.200 -0.130 0.000 1.054 182 S CB -0.320 62.902 63.200 0.036 0.000 0.899 182 S HN 0.156 nan 8.310 nan 0.000 0.497 183 Y N 3.145 123.459 120.300 0.023 0.000 2.304 183 Y HA 0.408 4.958 4.550 -0.000 0.000 0.328 183 Y C 1.157 176.977 175.900 -0.133 0.000 1.123 183 Y CA -0.595 57.495 58.100 -0.015 0.000 1.218 183 Y CB 0.667 39.120 38.460 -0.012 0.000 1.207 183 Y HN 0.486 nan 8.280 nan 0.000 0.495 184 R N 3.709 124.180 120.500 -0.049 0.000 2.221 184 R HA 0.226 4.566 4.340 -0.000 0.000 0.327 184 R C 0.196 176.262 176.300 -0.390 0.000 1.033 184 R CA -0.064 55.721 56.100 -0.524 0.000 0.887 184 R CB 0.647 30.450 30.300 -0.828 0.000 1.057 184 R HN 0.741 nan 8.270 nan 0.000 0.455 185 I N 1.105 121.357 120.570 -0.530 0.000 2.556 185 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 185 I C 1.387 177.301 176.117 -0.338 0.000 1.105 185 I CA 1.135 62.230 61.300 -0.340 0.000 1.436 185 I CB -0.380 37.387 38.000 -0.389 0.000 1.139 185 I HN 0.411 nan 8.210 nan 0.000 0.438 186 T N -1.550 112.665 114.554 -0.565 0.000 2.918 186 T HA 0.311 4.661 4.350 -0.000 0.000 0.286 186 T C -0.867 173.548 174.700 -0.475 0.000 1.026 186 T CA -0.330 61.527 62.100 -0.406 0.000 1.031 186 T CB 1.188 69.767 68.868 -0.482 0.000 1.046 186 T HN 0.194 nan 8.240 nan 0.000 0.479 187 W N 1.189 122.358 121.300 -0.219 0.000 2.304 187 W HA 0.225 4.885 4.660 -0.000 0.000 0.326 187 W C 1.890 178.342 176.519 -0.112 0.000 0.920 187 W CA -0.116 57.142 57.345 -0.145 0.000 1.518 187 W CB 0.135 29.534 29.460 -0.103 0.000 1.112 187 W HN 0.817 nan 8.180 nan 0.000 0.528 188 T N -2.735 111.849 114.554 0.051 0.000 3.086 188 T HA 0.279 4.629 4.350 -0.000 0.000 0.250 188 T C 1.226 175.908 174.700 -0.029 0.000 1.074 188 T CA 0.196 62.307 62.100 0.019 0.000 0.988 188 T CB -0.113 68.759 68.868 0.007 0.000 0.988 188 T HN 0.005 nan 8.240 nan 0.000 0.530 189 G N 1.424 110.177 108.800 -0.078 0.000 2.225 189 G HA2 0.346 4.306 3.960 -0.000 0.000 0.245 189 G HA3 0.346 4.306 3.960 -0.000 0.000 0.245 189 G C -0.602 174.228 174.900 -0.117 0.000 1.249 189 G CA -0.342 44.688 45.100 -0.117 0.000 0.919 189 G HN 0.585 nan 8.290 nan 0.000 0.486 190 K N 2.017 122.329 120.400 -0.147 0.000 2.553 190 K HA 0.209 4.529 4.320 -0.000 0.000 0.250 190 K C -0.097 176.383 176.600 -0.201 0.000 0.953 190 K CA -0.710 55.494 56.287 -0.139 0.000 0.800 190 K CB 1.717 34.171 32.500 -0.077 0.000 1.243 190 K HN 0.585 nan 8.250 nan 0.000 0.435 191 E N 3.030 123.122 120.200 -0.180 0.000 2.708 191 E HA -0.162 4.188 4.350 -0.000 0.000 0.260 191 E C -0.559 175.958 176.600 -0.137 0.000 0.937 191 E CA 1.087 57.382 56.400 -0.175 0.000 0.953 191 E CB 0.244 29.875 29.700 -0.115 0.000 0.915 191 E HN 0.660 nan 8.360 nan 0.000 0.487 192 D N 2.836 123.151 120.400 -0.141 0.000 2.955 192 D HA -0.239 4.401 4.640 -0.000 0.000 0.226 192 D C 0.474 176.822 176.300 0.080 0.000 1.178 192 D CA 0.906 54.943 54.000 0.061 0.000 0.808 192 D CB -0.360 40.508 40.800 0.112 0.000 1.099 192 D HN 0.396 nan 8.370 nan 0.000 0.421 193 I N -1.116 119.404 120.570 -0.084 0.000 4.079 193 I HA 0.182 4.352 4.170 -0.000 0.000 0.276 193 I C 0.805 176.972 176.117 0.083 0.000 1.146 193 I CA 0.430 61.765 61.300 0.058 0.000 1.324 193 I CB 0.369 38.383 38.000 0.023 0.000 1.638 193 I HN -0.124 nan 8.210 nan 0.000 0.436 194 I N 1.438 121.945 120.570 -0.106 0.000 2.439 194 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 194 I C -1.450 174.589 176.117 -0.130 0.000 1.021 194 I CA -0.575 60.730 61.300 0.008 0.000 1.091 194 I CB 1.723 39.734 38.000 0.018 0.000 1.242 194 I HN -0.058 nan 8.210 nan 0.000 0.439 195 Y N 4.919 125.304 120.300 0.142 0.000 2.331 195 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 195 Y C 0.202 176.139 175.900 0.062 0.000 0.976 195 Y CA -0.928 57.256 58.100 0.139 0.000 1.137 195 Y CB 0.864 39.506 38.460 0.303 0.000 1.172 195 Y HN 0.424 nan 8.280 nan 0.000 0.478 196 N N 2.119 120.852 118.700 0.055 0.000 2.443 196 N HA 0.350 5.090 4.740 -0.000 0.000 0.269 196 N C 0.726 176.132 175.510 -0.172 0.000 0.985 196 N CA 0.342 53.329 53.050 -0.106 0.000 0.921 196 N CB 1.897 40.216 38.487 -0.281 0.000 1.195 196 N HN 0.960 nan 8.380 nan 0.000 0.492 197 G N 1.640 110.351 108.800 -0.148 0.000 2.179 197 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 197 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 197 G C 0.104 174.852 174.900 -0.252 0.000 0.977 197 G CA 0.716 45.684 45.100 -0.220 0.000 0.641 197 G HN 0.645 nan 8.290 nan 0.000 0.533 198 I N -1.624 118.866 120.570 -0.134 0.000 2.865 198 I HA 0.793 4.962 4.170 -0.000 0.000 0.302 198 I C 0.275 176.455 176.117 0.104 0.000 1.140 198 I CA -0.667 60.475 61.300 -0.264 0.000 1.021 198 I CB 2.025 39.694 38.000 -0.550 0.000 1.233 198 I HN 0.163 nan 8.210 nan 0.000 0.427 199 T N -0.416 114.158 114.554 0.034 0.000 2.902 199 T HA 0.389 4.739 4.350 -0.000 0.000 0.280 199 T C -0.320 174.267 174.700 -0.188 0.000 0.992 199 T CA -0.679 61.360 62.100 -0.101 0.000 1.015 199 T CB 1.355 70.209 68.868 -0.024 0.000 1.044 199 T HN 0.766 nan 8.240 nan 0.000 0.520 200 D N 0.006 120.016 120.400 -0.650 0.000 2.388 200 D HA 0.040 4.680 4.640 -0.000 0.000 0.254 200 D C 0.940 177.185 176.300 -0.092 0.000 1.111 200 D CA -1.071 52.558 54.000 -0.618 0.000 0.993 200 D CB 0.576 40.838 40.800 -0.897 0.000 1.118 200 D HN 0.729 nan 8.370 nan 0.000 0.502 201 W N 1.493 122.786 121.300 -0.010 0.000 2.278 201 W HA -0.353 4.307 4.660 -0.000 0.000 0.339 201 W C 2.185 178.619 176.519 -0.143 0.000 1.348 201 W CA 3.309 60.629 57.345 -0.041 0.000 1.289 201 W CB -0.666 28.715 29.460 -0.130 0.000 1.124 201 W HN 0.273 nan 8.180 nan 0.000 0.469 202 V N -0.409 119.563 119.914 0.096 0.000 2.343 202 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 202 V C 1.962 177.872 176.094 -0.308 0.000 1.051 202 V CA 2.311 64.533 62.300 -0.130 0.000 1.036 202 V CB -0.834 30.927 31.823 -0.102 0.000 0.654 202 V HN 0.346 nan 8.190 nan 0.000 0.451 203 Y N 0.522 120.620 120.300 -0.336 0.000 2.352 203 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 203 Y C 2.598 178.375 175.900 -0.206 0.000 1.136 203 Y CA 2.027 59.919 58.100 -0.347 0.000 1.227 203 Y CB -0.029 38.090 38.460 -0.568 0.000 0.991 203 Y HN 0.410 nan 8.280 nan 0.000 0.545 204 E N 0.165 120.324 120.200 -0.068 0.000 2.107 204 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 204 E C 1.854 178.414 176.600 -0.066 0.000 0.982 204 E CA 1.348 57.742 56.400 -0.010 0.000 0.809 204 E CB 0.149 29.860 29.700 0.018 0.000 0.756 204 E HN 0.445 nan 8.360 nan 0.000 0.459 205 E N 0.105 120.097 120.200 -0.346 0.000 2.127 205 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 205 E C 1.729 178.202 176.600 -0.211 0.000 0.964 205 E CA 0.988 57.164 56.400 -0.374 0.000 0.832 205 E CB 0.186 29.309 29.700 -0.963 0.000 0.790 205 E HN 0.102 nan 8.360 nan 0.000 0.465 206 E N -0.261 119.783 120.200 -0.261 0.000 2.216 206 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 206 E C 1.908 178.374 176.600 -0.223 0.000 0.973 206 E CA 1.034 57.324 56.400 -0.184 0.000 0.851 206 E CB 0.561 30.133 29.700 -0.214 0.000 0.804 206 E HN 0.282 nan 8.360 nan 0.000 0.477 207 V N -1.328 118.390 119.914 -0.327 0.000 2.911 207 V HA 0.088 4.208 4.120 -0.000 0.000 0.237 207 V C 1.233 177.159 176.094 -0.280 0.000 1.156 207 V CA 0.470 62.530 62.300 -0.400 0.000 1.180 207 V CB -0.142 31.256 31.823 -0.708 0.000 0.932 207 V HN -0.012 nan 8.190 nan 0.000 0.483 208 F N 1.092 121.045 119.950 0.004 0.000 2.746 208 F HA 0.469 4.996 4.527 -0.000 0.000 0.297 208 F C 1.772 177.514 175.800 -0.097 0.000 1.113 208 F CA 0.512 58.526 58.000 0.023 0.000 1.367 208 F CB -0.372 38.688 39.000 0.100 0.000 1.111 208 F HN 0.212 nan 8.300 nan 0.000 0.590 209 S N 0.348 116.039 115.700 -0.014 0.000 3.521 209 S HA -0.047 4.423 4.470 -0.000 0.000 0.362 209 S C -0.002 174.102 174.600 -0.826 0.000 1.044 209 S CA 0.415 58.419 58.200 -0.327 0.000 1.091 209 S CB -1.298 61.801 63.200 -0.168 0.000 0.908 209 S HN 0.661 nan 8.310 nan 0.000 0.473 210 A N -0.317 122.274 122.820 -0.381 0.000 2.601 210 A HA 0.680 5.000 4.320 -0.000 0.000 0.291 210 A C -0.370 177.195 177.584 -0.032 0.000 1.075 210 A CA -0.290 51.584 52.037 -0.272 0.000 0.671 210 A CB 0.245 19.106 19.000 -0.232 0.000 1.277 210 A HN 0.472 nan 8.150 nan 0.000 0.417 211 Y N 1.067 121.220 120.300 -0.245 0.000 2.476 211 Y HA 0.240 4.790 4.550 -0.000 0.000 0.283 211 Y C 1.502 177.137 175.900 -0.440 0.000 1.109 211 Y CA 0.838 58.808 58.100 -0.217 0.000 1.246 211 Y CB 0.058 38.436 38.460 -0.137 0.000 1.068 211 Y HN 0.647 nan 8.280 nan 0.000 0.552 212 S N 0.972 116.161 115.700 -0.852 0.000 2.488 212 S HA 0.438 4.908 4.470 -0.000 0.000 0.278 212 S C 0.415 174.486 174.600 -0.881 0.000 1.259 212 S CA 0.130 57.589 58.200 -1.235 0.000 1.061 212 S CB 0.366 62.407 63.200 -1.933 0.000 0.910 212 S HN 0.407 nan 8.310 nan 0.000 0.491 213 A N 4.981 127.334 122.820 -0.780 0.000 2.793 213 A HA 0.531 4.851 4.320 -0.000 0.000 0.301 213 A C -0.603 176.279 177.584 -1.170 0.000 1.172 213 A CA -0.614 50.940 52.037 -0.806 0.000 0.973 213 A CB -0.522 18.404 19.000 -0.124 0.000 1.164 213 A HN 0.854 nan 8.150 nan 0.000 0.542 214 L N -4.984 115.374 121.223 -1.441 0.000 2.393 214 L HA 0.880 5.220 4.340 -0.000 0.000 0.260 214 L C -1.322 174.955 176.870 -0.989 0.000 1.002 214 L CA -1.557 52.691 54.840 -0.988 0.000 0.818 214 L CB 0.856 42.673 42.059 -0.402 0.000 1.369 214 L HN 0.229 nan 8.230 nan 0.000 0.412 215 W N 1.119 122.480 121.300 0.101 0.000 2.884 215 W HA 0.328 4.988 4.660 -0.000 0.000 0.336 215 W C -1.526 175.208 176.519 0.359 0.000 1.038 215 W CA -0.718 56.794 57.345 0.279 0.000 1.247 215 W CB 1.286 30.968 29.460 0.369 0.000 1.351 215 W HN 0.607 nan 8.180 nan 0.000 0.446 216 W N 2.125 123.616 121.300 0.319 0.000 2.126 216 W HA 0.255 4.915 4.660 -0.000 0.000 0.346 216 W C 1.255 177.532 176.519 -0.403 0.000 1.279 216 W CA 0.422 57.812 57.345 0.075 0.000 1.259 216 W CB 0.644 30.132 29.460 0.047 0.000 1.133 216 W HN 0.174 nan 8.180 nan 0.000 0.592 217 S N 1.536 116.921 115.700 -0.526 0.000 2.601 217 S HA 0.273 4.743 4.470 -0.000 0.000 0.271 217 S C -1.849 172.472 174.600 -0.464 0.000 1.305 217 S CA -1.110 56.220 58.200 -1.451 0.000 1.022 217 S CB 1.292 63.760 63.200 -1.221 0.000 0.940 217 S HN 0.244 nan 8.310 nan 0.000 0.525 218 P HA -0.282 nan 4.420 nan 0.000 0.216 218 P C 1.148 178.419 177.300 -0.047 0.000 1.151 218 P CA 2.158 65.219 63.100 -0.065 0.000 0.953 218 P CB -0.274 31.434 31.700 0.013 0.000 0.789 219 N N -1.515 117.158 118.700 -0.044 0.000 2.515 219 N HA 0.032 4.772 4.740 -0.000 0.000 0.185 219 N C 1.075 176.541 175.510 -0.073 0.000 1.109 219 N CA 1.265 54.291 53.050 -0.041 0.000 0.903 219 N CB -1.057 37.421 38.487 -0.015 0.000 0.969 219 N HN 0.332 nan 8.380 nan 0.000 0.450 220 G N -1.839 106.925 108.800 -0.059 0.000 2.132 220 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.228 220 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.228 220 G C 0.741 175.697 174.900 0.093 0.000 1.000 220 G CA 0.559 45.638 45.100 -0.036 0.000 0.693 220 G HN 0.383 nan 8.290 nan 0.000 0.515 221 T N -0.375 114.192 114.554 0.022 0.000 2.894 221 T HA 0.337 4.687 4.350 -0.000 0.000 0.258 221 T C 0.744 175.358 174.700 -0.142 0.000 1.043 221 T CA 0.926 62.956 62.100 -0.116 0.000 1.141 221 T CB -0.011 68.677 68.868 -0.300 0.000 0.873 221 T HN 0.258 nan 8.240 nan 0.000 0.449 222 F N 0.489 120.495 119.950 0.093 0.000 2.432 222 F HA 0.652 5.179 4.527 -0.000 0.000 0.329 222 F C -0.286 175.568 175.800 0.092 0.000 1.076 222 F CA -1.582 56.480 58.000 0.105 0.000 1.018 222 F CB 1.221 40.321 39.000 0.167 0.000 1.201 222 F HN -0.118 nan 8.300 nan 0.000 0.489 223 L N 2.505 123.870 121.223 0.236 0.000 2.406 223 L HA 0.785 5.125 4.340 -0.000 0.000 0.270 223 L C -0.796 176.132 176.870 0.097 0.000 0.982 223 L CA -0.397 54.388 54.840 -0.091 0.000 0.843 223 L CB 0.891 42.617 42.059 -0.555 0.000 1.225 223 L HN 0.650 nan 8.230 nan 0.000 0.412 224 A N 4.545 127.504 122.820 0.231 0.000 2.295 224 A HA 0.830 5.150 4.320 -0.000 0.000 0.318 224 A C -1.406 176.224 177.584 0.077 0.000 1.134 224 A CA -0.243 51.805 52.037 0.018 0.000 0.827 224 A CB 0.697 19.807 19.000 0.184 0.000 1.136 224 A HN 0.920 nan 8.150 nan 0.000 0.493 225 Y N -1.977 118.139 120.300 -0.307 0.000 2.624 225 Y HA 0.736 5.286 4.550 -0.000 0.000 0.334 225 Y C -0.357 175.432 175.900 -0.184 0.000 1.155 225 Y CA -0.814 57.194 58.100 -0.153 0.000 1.046 225 Y CB 0.788 39.115 38.460 -0.222 0.000 1.316 225 Y HN 0.940 nan 8.280 nan 0.000 0.457 226 A N 2.164 125.112 122.820 0.213 0.000 2.299 226 A HA 0.733 5.053 4.320 -0.000 0.000 0.332 226 A C -1.221 176.326 177.584 -0.062 0.000 1.131 226 A CA -0.862 51.201 52.037 0.042 0.000 0.844 226 A CB 1.855 20.838 19.000 -0.028 0.000 1.251 226 A HN 0.821 nan 8.150 nan 0.000 0.486 227 Q N 0.651 120.320 119.800 -0.219 0.000 2.304 227 Q HA 0.587 4.927 4.340 -0.000 0.000 0.270 227 Q C -2.122 173.669 176.000 -0.349 0.000 1.035 227 Q CA -0.362 55.374 55.803 -0.111 0.000 0.781 227 Q CB 1.173 30.046 28.738 0.225 0.000 1.261 227 Q HN 0.587 nan 8.270 nan 0.000 0.444 228 F N 2.092 122.163 119.950 0.202 0.000 2.450 228 F HA 0.431 4.958 4.527 -0.000 0.000 0.332 228 F C 0.452 176.427 175.800 0.292 0.000 1.093 228 F CA -0.895 57.205 58.000 0.166 0.000 1.003 228 F CB 1.394 40.396 39.000 0.004 0.000 1.151 228 F HN 0.426 nan 8.300 nan 0.000 0.474 229 N N 1.846 120.788 118.700 0.404 0.000 2.518 229 N HA 0.202 4.941 4.740 -0.000 0.000 0.254 229 N C -0.853 174.849 175.510 0.321 0.000 0.979 229 N CA -0.247 52.996 53.050 0.322 0.000 0.930 229 N CB 0.962 39.582 38.487 0.221 0.000 1.152 229 N HN 0.549 nan 8.380 nan 0.000 0.505 230 D N 1.375 121.994 120.400 0.366 0.000 2.388 230 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 230 D C 1.237 177.669 176.300 0.220 0.000 1.133 230 D CA 0.161 54.348 54.000 0.312 0.000 0.831 230 D CB 0.555 41.612 40.800 0.428 0.000 0.962 230 D HN 0.458 nan 8.370 nan 0.000 0.502 231 T N 0.384 115.048 114.554 0.182 0.000 2.620 231 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 231 T C 1.193 175.957 174.700 0.107 0.000 1.044 231 T CA 1.313 63.489 62.100 0.127 0.000 1.161 231 T CB -0.045 68.886 68.868 0.106 0.000 0.862 231 T HN 0.291 nan 8.240 nan 0.000 0.438 232 E N 0.645 120.908 120.200 0.106 0.000 2.496 232 E HA 0.213 4.563 4.350 -0.000 0.000 0.202 232 E C -0.777 175.876 176.600 0.088 0.000 1.021 232 E CA -0.220 56.231 56.400 0.085 0.000 1.015 232 E CB 0.583 30.325 29.700 0.069 0.000 1.102 232 E HN 0.210 nan 8.360 nan 0.000 0.452 233 V N 3.044 123.024 119.914 0.110 0.000 2.461 233 V HA 0.154 4.274 4.120 -0.000 0.000 0.275 233 V C -1.954 174.198 176.094 0.097 0.000 1.047 233 V CA -1.746 60.621 62.300 0.111 0.000 0.955 233 V CB 0.711 32.618 31.823 0.140 0.000 0.988 233 V HN 0.090 nan 8.190 nan 0.000 0.471 234 P HA 0.190 nan 4.420 nan 0.000 0.270 234 P C -0.788 176.547 177.300 0.060 0.000 1.227 234 P CA -0.127 63.010 63.100 0.061 0.000 0.788 234 P CB 0.469 32.203 31.700 0.056 0.000 0.926 235 L N 1.540 122.776 121.223 0.021 0.000 2.329 235 L HA 0.469 4.809 4.340 -0.000 0.000 0.279 235 L C 0.100 176.921 176.870 -0.082 0.000 1.014 235 L CA -1.050 53.786 54.840 -0.007 0.000 0.814 235 L CB 1.340 43.391 42.059 -0.013 0.000 1.257 235 L HN 0.277 nan 8.230 nan 0.000 0.424 236 I N 2.565 123.042 120.570 -0.155 0.000 2.365 236 I HA 0.278 4.448 4.170 -0.000 0.000 0.291 236 I C -0.311 175.662 176.117 -0.241 0.000 1.004 236 I CA 0.153 61.255 61.300 -0.330 0.000 1.311 236 I CB 0.960 38.506 38.000 -0.756 0.000 1.401 236 I HN 0.573 nan 8.210 nan 0.000 0.491 237 E N 7.223 127.300 120.200 -0.205 0.000 2.266 237 E HA 0.597 4.946 4.350 -0.000 0.000 0.268 237 E C -1.791 174.760 176.600 -0.080 0.000 0.879 237 E CA -0.622 55.665 56.400 -0.188 0.000 0.762 237 E CB 2.264 31.872 29.700 -0.153 0.000 1.199 237 E HN 0.555 nan 8.360 nan 0.000 0.422 238 Y N -2.151 118.061 120.300 -0.147 0.000 2.604 238 Y HA 0.487 5.037 4.550 -0.000 0.000 0.331 238 Y C -0.980 174.850 175.900 -0.117 0.000 1.158 238 Y CA -1.220 56.801 58.100 -0.131 0.000 1.056 238 Y CB 0.765 39.157 38.460 -0.113 0.000 1.330 238 Y HN 0.246 nan 8.280 nan 0.000 0.457 239 S N 2.203 117.882 115.700 -0.036 0.000 2.565 239 S HA 0.512 4.981 4.470 -0.000 0.000 0.274 239 S C -1.367 173.094 174.600 -0.233 0.000 1.309 239 S CA -0.388 57.652 58.200 -0.266 0.000 1.043 239 S CB 0.477 63.354 63.200 -0.538 0.000 0.939 239 S HN 0.534 nan 8.310 nan 0.000 0.504 240 F N 2.467 122.173 119.950 -0.406 0.000 2.493 240 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 240 F C -0.354 175.248 175.800 -0.330 0.000 1.126 240 F CA -0.914 56.957 58.000 -0.214 0.000 0.937 240 F CB 0.850 39.825 39.000 -0.042 0.000 1.146 240 F HN 0.645 nan 8.300 nan 0.000 0.442 241 Y N 2.770 122.815 120.300 -0.424 0.000 2.510 241 Y HA 0.170 4.720 4.550 -0.000 0.000 0.273 241 Y C 1.641 177.422 175.900 -0.198 0.000 1.119 241 Y CA 0.833 58.789 58.100 -0.239 0.000 1.286 241 Y CB -0.604 37.726 38.460 -0.217 0.000 1.061 241 Y HN 0.746 nan 8.280 nan 0.000 0.542 242 S N -0.004 115.529 115.700 -0.277 0.000 3.160 242 S HA -0.233 4.237 4.470 -0.000 0.000 0.634 242 S C -0.390 174.238 174.600 0.046 0.000 2.861 242 S CA 0.451 58.677 58.200 0.042 0.000 3.097 242 S CB -0.980 62.382 63.200 0.270 0.000 0.331 242 S HN 0.486 nan 8.310 nan 0.000 1.767 243 D N 1.623 122.078 120.400 0.091 0.000 2.423 243 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 243 D C 1.388 177.715 176.300 0.045 0.000 1.142 243 D CA 0.491 54.527 54.000 0.060 0.000 0.884 243 D CB 0.237 41.075 40.800 0.064 0.000 1.199 243 D HN 0.644 nan 8.370 nan 0.000 0.438 244 E N 0.775 120.991 120.200 0.026 0.000 2.253 244 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 244 E C 1.448 178.060 176.600 0.021 0.000 1.014 244 E CA 1.502 57.911 56.400 0.014 0.000 0.823 244 E CB 0.148 29.851 29.700 0.005 0.000 0.736 244 E HN 0.454 nan 8.360 nan 0.000 0.478 245 S N -0.145 115.574 115.700 0.031 0.000 2.515 245 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 245 S C 1.058 175.686 174.600 0.046 0.000 0.987 245 S CA -0.068 58.152 58.200 0.034 0.000 0.936 245 S CB -0.088 63.134 63.200 0.036 0.000 0.766 245 S HN 0.259 nan 8.310 nan 0.000 0.528 246 L N 2.410 123.669 121.223 0.059 0.000 2.407 246 L HA 0.173 4.513 4.340 -0.000 0.000 0.282 246 L C 1.573 178.486 176.870 0.071 0.000 1.110 246 L CA -0.141 54.747 54.840 0.080 0.000 0.863 246 L CB 0.836 42.955 42.059 0.099 0.000 1.207 246 L HN 0.385 nan 8.230 nan 0.000 0.454 247 Q N 3.887 123.738 119.800 0.085 0.000 2.020 247 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 247 Q C -0.525 175.444 176.000 -0.053 0.000 0.982 247 Q CA 1.640 57.459 55.803 0.026 0.000 0.838 247 Q CB 0.137 28.933 28.738 0.096 0.000 0.899 247 Q HN 0.574 nan 8.270 nan 0.000 0.423 248 Y N 0.399 120.706 120.300 0.013 0.000 2.341 248 Y HA 0.356 4.906 4.550 -0.000 0.000 0.337 248 Y C -2.024 173.876 175.900 -0.001 0.000 1.014 248 Y CA -3.032 55.070 58.100 0.004 0.000 1.111 248 Y CB 1.094 39.549 38.460 -0.009 0.000 1.194 248 Y HN 0.152 nan 8.280 nan 0.000 0.462 249 P HA 0.082 nan 4.420 nan 0.000 0.269 249 P C -0.998 176.291 177.300 -0.018 0.000 1.209 249 P CA -0.527 62.563 63.100 -0.017 0.000 0.776 249 P CB 0.515 32.130 31.700 -0.141 0.000 0.876 250 K N 0.245 120.622 120.400 -0.039 0.000 2.164 250 K HA 0.517 4.837 4.320 -0.000 0.000 0.258 250 K C -0.885 175.657 176.600 -0.097 0.000 0.951 250 K CA -0.624 55.642 56.287 -0.034 0.000 0.844 250 K CB 0.743 33.246 32.500 0.005 0.000 1.099 250 K HN 0.185 nan 8.250 nan 0.000 0.435 251 T N 2.268 116.752 114.554 -0.117 0.000 2.749 251 T HA 0.179 4.529 4.350 -0.000 0.000 0.295 251 T C -0.257 174.307 174.700 -0.227 0.000 0.936 251 T CA -0.610 61.385 62.100 -0.176 0.000 1.060 251 T CB 0.858 69.640 68.868 -0.143 0.000 0.904 251 T HN 0.373 nan 8.240 nan 0.000 0.500 252 V N 6.382 126.060 119.914 -0.394 0.000 2.407 252 V HA 0.504 4.624 4.120 -0.000 0.000 0.278 252 V C 0.328 176.129 176.094 -0.489 0.000 1.037 252 V CA -0.765 61.258 62.300 -0.462 0.000 0.900 252 V CB 0.723 32.137 31.823 -0.683 0.000 0.983 252 V HN 0.789 nan 8.190 nan 0.000 0.459 253 R N 4.703 125.060 120.500 -0.238 0.000 2.502 253 R HA 0.799 5.139 4.340 -0.000 0.000 0.300 253 R C -1.409 174.877 176.300 -0.024 0.000 0.984 253 R CA -0.558 55.448 56.100 -0.158 0.000 0.882 253 R CB 1.747 31.980 30.300 -0.113 0.000 1.180 253 R HN 0.513 nan 8.270 nan 0.000 0.444 254 V N 0.361 120.277 119.914 0.004 0.000 2.823 254 V HA 0.629 4.749 4.120 -0.000 0.000 0.312 254 V C -2.847 173.308 176.094 0.102 0.000 1.072 254 V CA -2.664 59.713 62.300 0.128 0.000 0.937 254 V CB 2.641 34.610 31.823 0.244 0.000 1.013 254 V HN 0.589 nan 8.190 nan 0.000 0.430 255 P HA 0.268 nan 4.420 nan 0.000 0.269 255 P C -1.780 175.630 177.300 0.183 0.000 1.252 255 P CA 0.612 63.823 63.100 0.185 0.000 0.780 255 P CB -0.347 31.507 31.700 0.256 0.000 0.829 256 Y N 6.628 126.905 120.300 -0.039 0.000 2.332 256 Y HA 0.415 4.965 4.550 -0.000 0.000 0.325 256 Y C -2.690 173.189 175.900 -0.035 0.000 1.054 256 Y CA -2.735 55.296 58.100 -0.115 0.000 1.119 256 Y CB 2.054 40.331 38.460 -0.306 0.000 1.168 256 Y HN 0.285 nan 8.280 nan 0.000 0.439 257 P HA 0.270 nan 4.420 nan 0.000 0.291 257 P C -1.000 176.347 177.300 0.077 0.000 1.378 257 P CA -0.343 62.794 63.100 0.062 0.000 0.853 257 P CB 1.277 32.997 31.700 0.032 0.000 1.002 258 K N 1.995 122.529 120.400 0.224 0.000 2.149 258 K HA 0.435 4.755 4.320 -0.000 0.000 0.245 258 K C 0.671 177.378 176.600 0.178 0.000 1.024 258 K CA -0.606 55.838 56.287 0.262 0.000 0.899 258 K CB 0.459 33.128 32.500 0.281 0.000 1.038 258 K HN 0.439 nan 8.250 nan 0.000 0.496 259 A N 0.768 123.721 122.820 0.222 0.000 2.573 259 A HA 0.230 4.550 4.320 -0.000 0.000 0.250 259 A C 1.216 178.840 177.584 0.067 0.000 1.049 259 A CA 1.024 53.175 52.037 0.189 0.000 0.767 259 A CB -1.300 17.890 19.000 0.318 0.000 0.965 259 A HN 0.908 nan 8.150 nan 0.000 0.514 260 G N 0.983 109.815 108.800 0.052 0.000 2.184 260 G HA2 0.083 4.043 3.960 -0.000 0.000 0.264 260 G HA3 0.083 4.043 3.960 -0.000 0.000 0.264 260 G C 0.699 175.612 174.900 0.022 0.000 0.975 260 G CA 0.896 46.000 45.100 0.007 0.000 0.642 260 G HN 2.154 nan 8.290 nan 0.000 0.536 261 A N -0.559 122.291 122.820 0.050 0.000 2.250 261 A HA 0.770 5.090 4.320 -0.000 0.000 0.283 261 A C 0.842 178.458 177.584 0.052 0.000 1.206 261 A CA 0.302 52.371 52.037 0.053 0.000 0.840 261 A CB 0.540 19.585 19.000 0.076 0.000 1.220 261 A HN 1.133 nan 8.150 nan 0.000 0.505 262 V N 2.253 122.200 119.914 0.055 0.000 2.521 262 V HA 0.051 4.171 4.120 -0.000 0.000 0.286 262 V C 0.297 176.435 176.094 0.073 0.000 1.034 262 V CA -0.206 62.128 62.300 0.057 0.000 1.045 262 V CB -0.084 31.774 31.823 0.059 0.000 0.974 262 V HN 0.754 nan 8.190 nan 0.000 0.480 263 N N 6.379 125.120 118.700 0.068 0.000 2.493 263 N HA 0.465 5.205 4.740 -0.000 0.000 0.275 263 N C -2.240 173.349 175.510 0.131 0.000 1.186 263 N CA -1.407 51.702 53.050 0.099 0.000 0.978 263 N CB 1.252 39.788 38.487 0.081 0.000 1.184 263 N HN 0.405 nan 8.380 nan 0.000 0.487 264 P HA 0.157 nan 4.420 nan 0.000 0.276 264 P C -0.484 176.973 177.300 0.262 0.000 1.261 264 P CA -0.186 63.064 63.100 0.250 0.000 0.800 264 P CB 0.495 32.383 31.700 0.313 0.000 1.066 265 T N -2.925 111.780 114.554 0.251 0.000 2.949 265 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 265 T C -0.397 174.454 174.700 0.253 0.000 1.034 265 T CA -0.849 61.365 62.100 0.189 0.000 1.018 265 T CB 1.419 70.364 68.868 0.127 0.000 1.135 265 T HN 0.362 nan 8.240 nan 0.000 0.532 266 V N 0.058 120.089 119.914 0.195 0.000 3.049 266 V HA 0.779 4.899 4.120 -0.000 0.000 0.309 266 V C -1.779 174.424 176.094 0.180 0.000 1.148 266 V CA -0.877 61.514 62.300 0.151 0.000 0.990 266 V CB 2.194 34.139 31.823 0.203 0.000 1.039 266 V HN 1.073 nan 8.190 nan 0.000 0.430 267 K N 4.182 124.638 120.400 0.094 0.000 2.469 267 K HA 0.552 4.872 4.320 -0.000 0.000 0.254 267 K C -1.943 174.632 176.600 -0.040 0.000 0.939 267 K CA -0.445 55.867 56.287 0.042 0.000 0.812 267 K CB 2.737 35.256 32.500 0.032 0.000 1.301 267 K HN 0.529 nan 8.250 nan 0.000 0.433 268 F N 2.356 122.078 119.950 -0.381 0.000 2.469 268 F HA 0.598 5.125 4.527 -0.000 0.000 0.332 268 F C -1.247 174.052 175.800 -0.835 0.000 1.103 268 F CA -0.709 57.036 58.000 -0.424 0.000 0.979 268 F CB 0.792 39.641 39.000 -0.253 0.000 1.137 268 F HN 0.393 nan 8.300 nan 0.000 0.463 269 F N 3.112 122.346 119.950 -1.194 0.000 2.629 269 F HA 0.774 5.301 4.527 -0.000 0.000 0.316 269 F C -1.011 174.093 175.800 -1.161 0.000 1.081 269 F CA -1.189 56.193 58.000 -1.030 0.000 0.954 269 F CB 2.058 40.370 39.000 -1.148 0.000 1.337 269 F HN 0.104 nan 8.300 nan 0.000 0.474 270 V N 2.148 121.793 119.914 -0.449 0.000 2.668 270 V HA 0.572 4.692 4.120 -0.000 0.000 0.304 270 V C -1.222 174.910 176.094 0.064 0.000 1.071 270 V CA -0.764 61.356 62.300 -0.299 0.000 0.894 270 V CB 1.825 33.282 31.823 -0.609 0.000 1.008 270 V HN 0.641 nan 8.190 nan 0.000 0.425 271 V N 4.085 124.108 119.914 0.181 0.000 2.815 271 V HA 0.581 4.701 4.120 -0.000 0.000 0.314 271 V C -0.225 176.062 176.094 0.322 0.000 1.064 271 V CA -0.620 61.823 62.300 0.239 0.000 0.952 271 V CB 2.125 34.043 31.823 0.158 0.000 1.020 271 V HN 0.998 nan 8.190 nan 0.000 0.439 272 N N 2.630 121.459 118.700 0.215 0.000 2.500 272 N HA 0.201 4.941 4.740 -0.000 0.000 0.236 272 N C 0.985 176.470 175.510 -0.041 0.000 1.022 272 N CA 0.242 53.300 53.050 0.012 0.000 0.935 272 N CB 1.044 39.499 38.487 -0.053 0.000 1.147 272 N HN 0.902 nan 8.380 nan 0.000 0.512 273 T N -0.327 114.218 114.554 -0.014 0.000 3.228 273 T HA -0.011 4.339 4.350 -0.000 0.000 0.261 273 T C 0.216 174.908 174.700 -0.014 0.000 1.171 273 T CA 0.529 62.647 62.100 0.031 0.000 1.056 273 T CB -0.017 68.995 68.868 0.240 0.000 0.938 273 T HN 0.397 nan 8.240 nan 0.000 0.539 274 D N 0.279 120.631 120.400 -0.081 0.000 2.433 274 D HA 0.205 4.845 4.640 -0.000 0.000 0.211 274 D C 1.127 177.380 176.300 -0.079 0.000 1.114 274 D CA 0.062 54.018 54.000 -0.073 0.000 0.837 274 D CB 0.659 41.401 40.800 -0.096 0.000 0.984 274 D HN 0.456 nan 8.370 nan 0.000 0.505 275 S N 0.130 115.773 115.700 -0.095 0.000 2.603 275 S HA 0.155 4.625 4.470 -0.000 0.000 0.232 275 S C 0.980 175.503 174.600 -0.127 0.000 1.016 275 S CA -0.456 57.698 58.200 -0.076 0.000 0.976 275 S CB 0.542 63.723 63.200 -0.032 0.000 0.921 275 S HN 0.252 nan 8.310 nan 0.000 0.516 276 L N 1.980 123.055 121.223 -0.247 0.000 2.462 276 L HA 0.436 4.776 4.340 -0.000 0.000 0.272 276 L C 0.987 177.575 176.870 -0.469 0.000 1.166 276 L CA -0.357 54.219 54.840 -0.440 0.000 0.880 276 L CB 0.169 41.770 42.059 -0.763 0.000 1.142 276 L HN 0.167 nan 8.230 nan 0.000 0.473 277 S N 2.637 118.206 115.700 -0.217 0.000 2.291 277 S HA 0.122 4.592 4.470 -0.000 0.000 0.185 277 S C 1.034 175.774 174.600 0.234 0.000 0.996 277 S CA 0.678 58.873 58.200 -0.008 0.000 0.997 277 S CB -0.028 63.192 63.200 0.034 0.000 0.899 277 S HN 1.224 nan 8.310 nan 0.000 0.493 278 S N -1.890 113.963 115.700 0.254 0.000 4.661 278 S HA -0.046 4.424 4.470 -0.000 0.000 0.046 278 S C 0.630 175.343 174.600 0.189 0.000 0.866 278 S CA 0.295 58.694 58.200 0.332 0.000 0.920 278 S CB -1.253 62.128 63.200 0.302 0.000 0.374 278 S HN 0.526 nan 8.310 nan 0.000 0.801 279 V N 1.628 121.625 119.914 0.138 0.000 3.013 279 V HA 0.356 4.476 4.120 -0.000 0.000 0.238 279 V C 1.017 177.156 176.094 0.075 0.000 1.161 279 V CA 1.457 63.814 62.300 0.094 0.000 1.170 279 V CB 0.637 32.502 31.823 0.069 0.000 0.917 279 V HN 0.569 nan 8.190 nan 0.000 0.478 280 T N 1.589 116.185 114.554 0.069 0.000 2.907 280 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 280 T C -0.163 174.578 174.700 0.068 0.000 1.004 280 T CA -0.257 61.871 62.100 0.046 0.000 1.063 280 T CB 0.769 69.654 68.868 0.030 0.000 0.992 280 T HN 0.144 nan 8.240 nan 0.000 0.483 281 N N 2.077 120.805 118.700 0.047 0.000 2.422 281 N HA 0.430 5.170 4.740 -0.000 0.000 0.264 281 N C 0.197 175.753 175.510 0.077 0.000 1.063 281 N CA -0.282 52.824 53.050 0.093 0.000 0.959 281 N CB 0.929 39.418 38.487 0.003 0.000 1.087 281 N HN 0.830 nan 8.380 nan 0.000 0.483 282 A N 2.233 125.107 122.820 0.089 0.000 2.639 282 A HA 0.078 4.398 4.320 -0.000 0.000 0.229 282 A C 0.242 177.862 177.584 0.059 0.000 1.062 282 A CA 0.444 52.507 52.037 0.043 0.000 0.761 282 A CB -0.095 18.915 19.000 0.017 0.000 0.988 282 A HN 0.562 nan 8.150 nan 0.000 0.510 283 T N 2.048 116.641 114.554 0.065 0.000 2.779 283 T HA 0.491 4.841 4.350 -0.000 0.000 0.280 283 T C -0.216 174.557 174.700 0.122 0.000 0.987 283 T CA -0.226 61.927 62.100 0.088 0.000 0.966 283 T CB 1.146 70.072 68.868 0.096 0.000 0.933 283 T HN 0.533 nan 8.240 nan 0.000 0.442 284 S N 3.107 118.882 115.700 0.125 0.000 2.448 284 S HA 0.402 4.872 4.470 -0.000 0.000 0.320 284 S C 0.015 174.768 174.600 0.254 0.000 1.071 284 S CA -0.681 57.618 58.200 0.166 0.000 1.113 284 S CB 0.019 63.266 63.200 0.079 0.000 0.972 284 S HN 0.475 nan 8.310 nan 0.000 0.465 285 I N 3.388 124.105 120.570 0.244 0.000 2.452 285 I HA 0.123 4.293 4.170 -0.000 0.000 0.287 285 I C 0.686 176.900 176.117 0.161 0.000 1.079 285 I CA 0.239 61.688 61.300 0.248 0.000 1.387 285 I CB 0.557 38.771 38.000 0.357 0.000 1.404 285 I HN 0.566 nan 8.210 nan 0.000 0.522 286 Q N 6.896 126.763 119.800 0.112 0.000 2.296 286 Q HA 0.397 4.737 4.340 -0.000 0.000 0.257 286 Q C -0.760 175.137 176.000 -0.171 0.000 0.942 286 Q CA -0.478 55.177 55.803 -0.246 0.000 0.939 286 Q CB 0.774 29.289 28.738 -0.370 0.000 1.198 286 Q HN 0.541 nan 8.270 nan 0.000 0.429 287 I N 3.949 124.405 120.570 -0.189 0.000 2.395 287 I HA 0.175 4.345 4.170 -0.000 0.000 0.289 287 I C 0.887 176.981 176.117 -0.039 0.000 1.023 287 I CA -0.082 61.195 61.300 -0.039 0.000 1.350 287 I CB 1.307 39.329 38.000 0.036 0.000 1.409 287 I HN 0.755 nan 8.210 nan 0.000 0.507 288 T N 2.896 117.415 114.554 -0.058 0.000 2.619 288 T HA 0.822 5.172 4.350 -0.000 0.000 0.244 288 T C 0.440 174.972 174.700 -0.280 0.000 0.893 288 T CA 0.181 62.197 62.100 -0.141 0.000 1.093 288 T CB 1.058 69.838 68.868 -0.146 0.000 1.567 288 T HN 0.999 nan 8.240 nan 0.000 0.549 289 A N 0.918 123.500 122.820 -0.397 0.000 6.069 289 A HA -0.001 4.319 4.320 -0.000 0.000 0.278 289 A C -2.401 174.612 177.584 -0.951 0.000 2.017 289 A CA 0.399 52.128 52.037 -0.514 0.000 0.717 289 A CB -2.870 15.948 19.000 -0.303 0.000 1.159 289 A HN 0.900 nan 8.150 nan 0.000 0.378 290 P HA 0.454 nan 4.420 nan 0.000 0.274 290 P C 1.024 178.119 177.300 -0.342 0.000 1.260 290 P CA 0.630 63.496 63.100 -0.390 0.000 0.793 290 P CB 0.409 31.952 31.700 -0.261 0.000 1.048 291 A N 0.685 123.377 122.820 -0.213 0.000 1.898 291 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 291 A C 2.092 179.570 177.584 -0.176 0.000 1.181 291 A CA 2.195 54.124 52.037 -0.180 0.000 0.620 291 A CB -1.932 16.996 19.000 -0.120 0.000 0.819 291 A HN 0.597 nan 8.150 nan 0.000 0.442 292 S N -1.563 114.058 115.700 -0.132 0.000 2.469 292 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 292 S C 1.697 176.211 174.600 -0.144 0.000 0.998 292 S CA 1.778 59.910 58.200 -0.113 0.000 0.957 292 S CB -0.282 62.917 63.200 -0.002 0.000 0.764 292 S HN 0.419 nan 8.310 nan 0.000 0.514 293 M N 0.685 120.149 119.600 -0.225 0.000 2.718 293 M HA 0.443 4.923 4.480 -0.000 0.000 0.259 293 M C 1.773 177.791 176.300 -0.470 0.000 1.240 293 M CA 0.768 55.879 55.300 -0.315 0.000 1.210 293 M CB -0.240 32.087 32.600 -0.454 0.000 1.281 293 M HN 0.209 nan 8.290 nan 0.000 0.515 294 L N 0.829 121.735 121.223 -0.529 0.000 2.129 294 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 294 L C 2.214 178.973 176.870 -0.185 0.000 1.087 294 L CA 1.368 55.964 54.840 -0.407 0.000 0.757 294 L CB -1.192 40.682 42.059 -0.308 0.000 0.896 294 L HN 0.476 nan 8.230 nan 0.000 0.434 295 I N -2.344 118.132 120.570 -0.156 0.000 2.908 295 I HA -0.010 4.160 4.170 -0.000 0.000 0.271 295 I C 0.956 177.042 176.117 -0.052 0.000 1.275 295 I CA 0.948 62.192 61.300 -0.093 0.000 1.446 295 I CB -0.663 37.278 38.000 -0.098 0.000 1.092 295 I HN 0.167 nan 8.210 nan 0.000 0.482 296 G N 0.021 108.808 108.800 -0.021 0.000 2.554 296 G HA2 0.222 4.182 3.960 -0.000 0.000 0.306 296 G HA3 0.222 4.182 3.960 -0.000 0.000 0.306 296 G C -1.865 173.103 174.900 0.114 0.000 1.320 296 G CA -0.654 44.459 45.100 0.022 0.000 0.800 296 G HN 0.073 nan 8.290 nan 0.000 0.481 297 D N 1.459 121.876 120.400 0.029 0.000 2.493 297 D HA 0.412 5.052 4.640 -0.000 0.000 0.240 297 D C 0.492 176.742 176.300 -0.083 0.000 1.142 297 D CA 0.825 54.788 54.000 -0.061 0.000 0.872 297 D CB 0.326 41.045 40.800 -0.136 0.000 1.173 297 D HN 0.535 nan 8.370 nan 0.000 0.467 298 H N -0.319 118.614 119.070 -0.229 0.000 2.942 298 H HA 0.514 5.069 4.556 -0.000 0.000 0.316 298 H C -1.251 173.955 175.328 -0.203 0.000 1.323 298 H CA -0.820 55.101 56.048 -0.211 0.000 1.144 298 H CB 0.401 30.164 29.762 0.002 0.000 1.866 298 H HN 0.312 nan 8.280 nan 0.000 0.545 299 Y N -0.293 120.187 120.300 0.301 0.000 2.581 299 Y HA 0.409 4.959 4.550 -0.000 0.000 0.345 299 Y C -0.576 175.580 175.900 0.427 0.000 1.036 299 Y CA -1.174 57.110 58.100 0.306 0.000 1.042 299 Y CB 1.996 40.490 38.460 0.056 0.000 1.289 299 Y HN 0.481 nan 8.280 nan 0.000 0.471 300 L N 2.756 124.304 121.223 0.542 0.000 2.255 300 L HA 0.435 4.774 4.340 -0.000 0.000 0.289 300 L C 0.317 177.186 176.870 -0.001 0.000 1.046 300 L CA -0.385 54.455 54.840 -0.000 0.000 0.816 300 L CB 0.372 42.350 42.059 -0.135 0.000 1.197 300 L HN 0.975 nan 8.230 nan 0.000 0.427 301 C N 1.233 120.440 119.300 -0.155 0.000 3.070 301 C HA 0.491 4.951 4.460 -0.000 0.000 0.280 301 C C 0.286 175.199 174.990 -0.127 0.000 1.264 301 C CA -0.339 58.546 59.018 -0.221 0.000 1.690 301 C CB -0.799 26.861 27.740 -0.133 0.000 2.049 301 C HN 0.860 nan 8.230 nan 0.000 0.636 302 D N 0.262 120.570 120.400 -0.154 0.000 2.787 302 D HA 0.325 4.965 4.640 -0.000 0.000 0.215 302 D C -1.701 174.315 176.300 -0.474 0.000 1.246 302 D CA 0.080 53.993 54.000 -0.145 0.000 0.798 302 D CB 2.550 43.259 40.800 -0.151 0.000 1.649 302 D HN 0.357 nan 8.370 nan 0.000 0.507 303 V N 1.575 121.105 119.914 -0.640 0.000 2.482 303 V HA 0.747 4.867 4.120 -0.000 0.000 0.295 303 V C -1.433 174.212 176.094 -0.749 0.000 1.026 303 V CA 0.031 61.730 62.300 -1.001 0.000 0.856 303 V CB 1.587 32.382 31.823 -1.713 0.000 1.001 303 V HN 0.543 nan 8.190 nan 0.000 0.424 304 T N 6.474 120.700 114.554 -0.547 0.000 2.881 304 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 304 T C -0.922 173.588 174.700 -0.316 0.000 0.990 304 T CA -0.090 61.839 62.100 -0.284 0.000 0.976 304 T CB 0.967 69.760 68.868 -0.125 0.000 0.970 304 T HN 0.786 nan 8.240 nan 0.000 0.438 305 W N 2.122 123.308 121.300 -0.190 0.000 2.266 305 W HA 0.477 5.137 4.660 -0.000 0.000 0.317 305 W C 1.128 177.452 176.519 -0.325 0.000 1.310 305 W CA -0.428 56.800 57.345 -0.195 0.000 1.207 305 W CB 0.610 30.053 29.460 -0.028 0.000 1.199 305 W HN 0.848 nan 8.180 nan 0.000 0.544 306 A N 2.190 124.835 122.820 -0.292 0.000 1.924 306 A HA 0.205 4.525 4.320 -0.000 0.000 0.211 306 A C 0.860 178.384 177.584 -0.101 0.000 1.198 306 A CA 1.593 53.221 52.037 -0.682 0.000 0.657 306 A CB -0.312 17.965 19.000 -1.205 0.000 0.852 306 A HN 0.542 nan 8.150 nan 0.000 0.454 307 T N -5.847 108.771 114.554 0.106 0.000 2.645 307 T HA 0.310 4.660 4.350 -0.000 0.000 0.300 307 T C 0.011 174.879 174.700 0.280 0.000 1.210 307 T CA -0.388 61.820 62.100 0.179 0.000 1.034 307 T CB 0.567 69.529 68.868 0.157 0.000 1.537 307 T HN -0.052 nan 8.240 nan 0.000 0.492 308 Q N 0.304 120.237 119.800 0.221 0.000 2.297 308 Q HA -0.012 4.328 4.340 -0.000 0.000 0.208 308 Q C 0.594 176.847 176.000 0.423 0.000 0.981 308 Q CA 1.504 57.447 55.803 0.234 0.000 0.876 308 Q CB -0.161 28.682 28.738 0.176 0.000 0.921 308 Q HN 0.820 nan 8.270 nan 0.000 0.446 309 E N -0.416 120.044 120.200 0.434 0.000 3.029 309 E HA 0.229 4.579 4.350 -0.000 0.000 0.196 309 E C -0.435 176.463 176.600 0.498 0.000 0.973 309 E CA -0.137 56.558 56.400 0.492 0.000 1.242 309 E CB 1.072 30.967 29.700 0.325 0.000 1.056 309 E HN -0.058 nan 8.360 nan 0.000 0.469 310 R N 1.446 122.261 120.500 0.525 0.000 2.584 310 R HA 0.558 4.897 4.340 -0.000 0.000 0.276 310 R C -1.898 174.445 176.300 0.072 0.000 1.046 310 R CA -0.549 55.732 56.100 0.300 0.000 0.906 310 R CB 1.648 32.017 30.300 0.116 0.000 1.215 310 R HN 0.158 nan 8.270 nan 0.000 0.449 311 I N 2.607 123.032 120.570 -0.243 0.000 2.619 311 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 311 I C -0.878 174.917 176.117 -0.538 0.000 1.100 311 I CA -0.436 60.450 61.300 -0.690 0.000 1.043 311 I CB 2.364 39.465 38.000 -1.499 0.000 1.239 311 I HN 0.802 nan 8.210 nan 0.000 0.420 312 S N 7.174 122.548 115.700 -0.543 0.000 2.565 312 S HA 0.796 5.266 4.470 -0.000 0.000 0.290 312 S C -0.958 173.322 174.600 -0.533 0.000 1.150 312 S CA -0.726 57.240 58.200 -0.389 0.000 1.058 312 S CB 2.010 65.088 63.200 -0.202 0.000 1.032 312 S HN 0.429 nan 8.310 nan 0.000 0.510 313 L N 1.660 122.604 121.223 -0.464 0.000 2.410 313 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 313 L C -0.440 176.145 176.870 -0.475 0.000 0.983 313 L CA -0.167 54.283 54.840 -0.649 0.000 0.822 313 L CB 2.008 43.668 42.059 -0.665 0.000 1.285 313 L HN 0.841 nan 8.230 nan 0.000 0.409 314 Q N 2.271 121.729 119.800 -0.569 0.000 2.333 314 Q HA 0.443 4.783 4.340 -0.000 0.000 0.268 314 Q C -1.748 174.046 176.000 -0.344 0.000 1.007 314 Q CA -0.477 55.136 55.803 -0.316 0.000 0.810 314 Q CB 1.814 30.414 28.738 -0.230 0.000 1.264 314 Q HN 0.518 nan 8.270 nan 0.000 0.452 315 W N 3.236 124.504 121.300 -0.054 0.000 2.606 315 W HA 0.572 5.231 4.660 -0.000 0.000 0.332 315 W C -0.806 175.761 176.519 0.080 0.000 1.052 315 W CA -0.649 56.716 57.345 0.034 0.000 1.223 315 W CB 1.018 30.492 29.460 0.023 0.000 1.383 315 W HN 0.391 nan 8.180 nan 0.000 0.524 316 L N 3.087 124.547 121.223 0.395 0.000 2.365 316 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 316 L C 0.018 177.095 176.870 0.346 0.000 1.000 316 L CA -1.025 54.009 54.840 0.324 0.000 0.819 316 L CB 1.247 43.468 42.059 0.269 0.000 1.284 316 L HN 0.421 nan 8.230 nan 0.000 0.418 317 R N 2.022 122.679 120.500 0.262 0.000 2.707 317 R HA 0.246 4.586 4.340 -0.000 0.000 0.270 317 R C 1.106 177.460 176.300 0.090 0.000 1.083 317 R CA 0.035 56.227 56.100 0.154 0.000 1.182 317 R CB 0.557 30.930 30.300 0.122 0.000 1.084 317 R HN 0.668 nan 8.270 nan 0.000 0.528 318 R N 1.181 121.631 120.500 -0.082 0.000 2.105 318 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 318 R C 0.337 176.692 176.300 0.093 0.000 1.135 318 R CA 1.155 57.191 56.100 -0.106 0.000 0.967 318 R CB 0.151 30.354 30.300 -0.162 0.000 0.861 318 R HN 0.376 nan 8.270 nan 0.000 0.442 319 I N 3.032 123.640 120.570 0.064 0.000 2.260 319 I HA -0.005 4.165 4.170 -0.000 0.000 0.297 319 I C 0.233 176.413 176.117 0.105 0.000 1.143 319 I CA 0.410 61.753 61.300 0.070 0.000 1.271 319 I CB 0.712 38.739 38.000 0.045 0.000 1.461 319 I HN 0.313 nan 8.210 nan 0.000 0.530 320 Q N 3.193 123.061 119.800 0.114 0.000 2.430 320 Q HA -0.114 4.226 4.340 -0.000 0.000 0.194 320 Q C 1.046 177.123 176.000 0.130 0.000 0.895 320 Q CA 0.111 55.992 55.803 0.130 0.000 1.034 320 Q CB -0.149 28.632 28.738 0.072 0.000 1.061 320 Q HN 0.484 nan 8.270 nan 0.000 0.518 321 N N -0.279 118.497 118.700 0.126 0.000 2.290 321 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 321 N C -0.621 174.994 175.510 0.175 0.000 1.016 321 N CA 0.845 53.965 53.050 0.116 0.000 0.871 321 N CB 0.315 38.865 38.487 0.105 0.000 0.987 321 N HN 0.306 nan 8.380 nan 0.000 0.431 322 Y N 0.296 120.622 120.300 0.044 0.000 2.391 322 Y HA 0.457 5.007 4.550 -0.000 0.000 0.341 322 Y C -0.811 175.130 175.900 0.068 0.000 0.965 322 Y CA -1.160 56.967 58.100 0.045 0.000 1.067 322 Y CB 1.326 39.804 38.460 0.030 0.000 1.199 322 Y HN -0.081 nan 8.280 nan 0.000 0.450 323 S N 4.426 120.073 115.700 -0.089 0.000 2.541 323 S HA 0.867 5.337 4.470 -0.000 0.000 0.280 323 S C -1.898 172.614 174.600 -0.148 0.000 1.112 323 S CA -0.770 57.428 58.200 -0.004 0.000 0.925 323 S CB 1.633 64.846 63.200 0.022 0.000 1.067 323 S HN 0.473 nan 8.310 nan 0.000 0.479 324 V N 3.503 123.429 119.914 0.020 0.000 2.680 324 V HA 0.588 4.707 4.120 -0.000 0.000 0.309 324 V C -0.354 175.789 176.094 0.081 0.000 1.052 324 V CA -0.744 61.564 62.300 0.014 0.000 0.908 324 V CB 1.904 33.774 31.823 0.077 0.000 1.001 324 V HN 1.032 nan 8.190 nan 0.000 0.431 325 M N 3.456 123.079 119.600 0.038 0.000 2.294 325 M HA 0.543 5.023 4.480 -0.000 0.000 0.335 325 M C -1.475 174.860 176.300 0.059 0.000 1.079 325 M CA -0.350 54.956 55.300 0.009 0.000 0.982 325 M CB 1.442 33.991 32.600 -0.085 0.000 1.651 325 M HN 0.594 nan 8.290 nan 0.000 0.437 326 D N 4.796 125.219 120.400 0.037 0.000 2.350 326 D HA 0.505 5.145 4.640 -0.000 0.000 0.245 326 D C -1.072 175.220 176.300 -0.014 0.000 1.036 326 D CA -0.115 53.909 54.000 0.040 0.000 0.848 326 D CB 2.066 42.911 40.800 0.076 0.000 1.307 326 D HN 0.612 nan 8.370 nan 0.000 0.469 327 I N 2.709 123.298 120.570 0.032 0.000 2.405 327 I HA 0.238 4.408 4.170 -0.000 0.000 0.280 327 I C -0.469 175.668 176.117 0.033 0.000 1.027 327 I CA -0.564 60.754 61.300 0.030 0.000 1.161 327 I CB 0.989 39.068 38.000 0.133 0.000 1.300 327 I HN 0.141 nan 8.210 nan 0.000 0.463 328 c N 4.114 122.713 118.600 -0.002 0.000 2.295 328 c HA 0.470 5.040 4.570 -0.000 0.000 0.331 328 c C 0.121 174.371 174.090 0.266 0.000 1.280 328 c CA -0.707 55.686 56.329 0.106 0.000 1.746 328 c CB 0.405 42.960 42.510 0.076 0.000 2.328 328 c HN 0.633 nan 8.230 nan 0.000 0.521 329 D N 0.255 120.811 120.400 0.260 0.000 2.228 329 D HA 0.380 5.019 4.640 -0.000 0.000 0.247 329 D C -0.616 175.712 176.300 0.048 0.000 0.995 329 D CA -0.280 53.849 54.000 0.215 0.000 0.903 329 D CB 0.742 41.595 40.800 0.088 0.000 1.205 329 D HN 0.583 nan 8.370 nan 0.000 0.459 330 Y N 1.174 121.140 120.300 -0.557 0.000 2.336 330 Y HA 0.217 4.767 4.550 -0.000 0.000 0.331 330 Y C -0.218 175.385 175.900 -0.495 0.000 1.211 330 Y CA -0.555 56.843 58.100 -1.171 0.000 1.346 330 Y CB 0.912 38.553 38.460 -1.365 0.000 1.271 330 Y HN 0.238 nan 8.280 nan 0.000 0.538 331 D N 4.859 124.657 120.400 -1.004 0.000 2.485 331 D HA 0.083 4.723 4.640 -0.000 0.000 0.229 331 D C 0.898 176.593 176.300 -1.008 0.000 1.101 331 D CA -0.070 53.497 54.000 -0.722 0.000 0.906 331 D CB 0.634 41.205 40.800 -0.381 0.000 1.019 331 D HN 0.817 nan 8.370 nan 0.000 0.516 332 E N 1.595 121.298 120.200 -0.828 0.000 2.132 332 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 332 E C 0.272 176.665 176.600 -0.346 0.000 1.058 332 E CA 1.580 57.660 56.400 -0.532 0.000 0.882 332 E CB 0.052 29.618 29.700 -0.224 0.000 0.774 332 E HN 0.162 nan 8.360 nan 0.000 0.467 333 S N -0.887 114.663 115.700 -0.249 0.000 2.979 333 S HA 0.350 4.820 4.470 -0.000 0.000 0.210 333 S C -0.254 174.269 174.600 -0.129 0.000 1.364 333 S CA 0.101 58.216 58.200 -0.141 0.000 1.208 333 S CB 0.613 63.759 63.200 -0.090 0.000 1.167 333 S HN 0.175 nan 8.310 nan 0.000 0.519 334 S N -0.430 115.179 115.700 -0.152 0.000 2.067 334 S HA 0.282 4.752 4.470 -0.000 0.000 0.249 334 S C 1.346 175.928 174.600 -0.030 0.000 0.916 334 S CA 0.095 58.240 58.200 -0.091 0.000 1.458 334 S CB 0.172 63.302 63.200 -0.118 0.000 1.037 334 S HN 0.693 nan 8.310 nan 0.000 0.483 335 G N 2.165 110.938 108.800 -0.045 0.000 2.320 335 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.242 335 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.242 335 G C 0.088 175.182 174.900 0.324 0.000 1.033 335 G CA 0.640 45.870 45.100 0.217 0.000 0.620 335 G HN 0.629 nan 8.290 nan 0.000 0.517 336 R N -0.681 119.892 120.500 0.123 0.000 2.541 336 R HA 0.725 5.065 4.340 -0.000 0.000 0.254 336 R C -0.792 175.542 176.300 0.057 0.000 1.130 336 R CA -0.864 55.345 56.100 0.182 0.000 1.152 336 R CB 0.138 30.527 30.300 0.148 0.000 1.222 336 R HN 0.256 nan 8.270 nan 0.000 0.579 337 W N -0.282 121.084 121.300 0.111 0.000 2.532 337 W HA 0.469 5.129 4.660 -0.000 0.000 0.321 337 W C -0.868 175.662 176.519 0.018 0.000 1.037 337 W CA -0.481 56.907 57.345 0.072 0.000 1.220 337 W CB 1.237 30.707 29.460 0.016 0.000 1.361 337 W HN 0.499 nan 8.180 nan 0.000 0.468 338 N N 1.935 120.746 118.700 0.185 0.000 2.362 338 N HA 0.553 5.293 4.740 -0.000 0.000 0.298 338 N C -1.464 174.108 175.510 0.104 0.000 1.048 338 N CA -0.583 52.531 53.050 0.105 0.000 0.858 338 N CB 1.197 39.707 38.487 0.039 0.000 1.218 338 N HN 0.195 nan 8.380 nan 0.000 0.488 339 c N 2.696 121.338 118.600 0.070 0.000 2.250 339 c HA 0.372 4.942 4.570 -0.000 0.000 0.319 339 c C 0.387 174.494 174.090 0.028 0.000 1.124 339 c CA -1.129 55.231 56.329 0.052 0.000 1.527 339 c CB -1.366 41.165 42.510 0.036 0.000 2.001 339 c HN 0.615 nan 8.230 nan 0.000 0.435 340 L N 2.905 124.147 121.223 0.030 0.000 2.540 340 L HA 0.112 4.452 4.340 -0.000 0.000 0.276 340 L C 0.910 177.782 176.870 0.003 0.000 1.212 340 L CA 0.417 55.265 54.840 0.014 0.000 0.893 340 L CB 0.269 42.339 42.059 0.017 0.000 1.138 340 L HN 0.572 nan 8.230 nan 0.000 0.491 341 V N 5.239 125.146 119.914 -0.012 0.000 3.611 341 V HA 0.299 4.419 4.120 -0.000 0.000 0.296 341 V C 1.379 177.452 176.094 -0.035 0.000 1.091 341 V CA 0.673 62.958 62.300 -0.025 0.000 1.103 341 V CB 1.146 32.952 31.823 -0.029 0.000 1.157 341 V HN 1.111 nan 8.190 nan 0.000 0.471 342 A N 1.729 124.516 122.820 -0.056 0.000 4.414 342 A HA -0.353 3.967 4.320 -0.000 0.000 0.259 342 A C 1.866 179.385 177.584 -0.108 0.000 0.774 342 A CA 2.332 54.324 52.037 -0.076 0.000 1.184 342 A CB -1.907 17.065 19.000 -0.048 0.000 1.070 342 A HN 1.195 nan 8.150 nan 0.000 0.747 343 R N 0.700 121.161 120.500 -0.066 0.000 2.334 343 R HA 0.153 4.493 4.340 -0.000 0.000 0.216 343 R C 0.799 177.083 176.300 -0.027 0.000 0.905 343 R CA 0.816 56.901 56.100 -0.024 0.000 1.064 343 R CB -0.023 30.301 30.300 0.040 0.000 1.046 343 R HN 0.867 nan 8.270 nan 0.000 0.508 344 Q N -0.480 119.256 119.800 -0.106 0.000 2.204 344 Q HA 0.283 4.623 4.340 -0.000 0.000 0.254 344 Q C -1.296 174.555 176.000 -0.249 0.000 0.981 344 Q CA -0.813 54.968 55.803 -0.037 0.000 0.897 344 Q CB 1.359 30.094 28.738 -0.005 0.000 1.273 344 Q HN 0.180 nan 8.270 nan 0.000 0.464 345 H N -0.180 118.898 119.070 0.013 0.000 2.679 345 H HA 0.500 5.056 4.556 -0.000 0.000 0.360 345 H C -0.946 174.353 175.328 -0.047 0.000 1.105 345 H CA -0.579 55.479 56.048 0.017 0.000 1.196 345 H CB 1.572 31.363 29.762 0.048 0.000 1.636 345 H HN 0.529 nan 8.280 nan 0.000 0.531 346 I N 1.782 122.366 120.570 0.024 0.000 2.385 346 I HA 0.228 4.398 4.170 -0.000 0.000 0.294 346 I C 0.012 176.061 176.117 -0.113 0.000 0.988 346 I CA -0.202 61.007 61.300 -0.153 0.000 1.265 346 I CB 1.278 39.141 38.000 -0.228 0.000 1.388 346 I HN 0.555 nan 8.210 nan 0.000 0.480 347 E N 8.317 128.399 120.200 -0.196 0.000 2.279 347 E HA 0.469 4.819 4.350 -0.000 0.000 0.252 347 E C -1.195 175.323 176.600 -0.137 0.000 0.894 347 E CA -0.617 55.726 56.400 -0.095 0.000 0.785 347 E CB 1.304 30.978 29.700 -0.043 0.000 1.237 347 E HN 0.592 nan 8.360 nan 0.000 0.418 348 M N 1.094 120.645 119.600 -0.081 0.000 2.658 348 M HA 0.651 5.131 4.480 -0.000 0.000 0.295 348 M C -1.054 175.252 176.300 0.010 0.000 1.248 348 M CA -0.892 54.394 55.300 -0.024 0.000 0.843 348 M CB 2.331 34.953 32.600 0.036 0.000 1.749 348 M HN 0.219 nan 8.290 nan 0.000 0.464 349 S N -0.301 115.408 115.700 0.014 0.000 2.538 349 S HA 0.576 5.046 4.470 -0.000 0.000 0.288 349 S C 0.263 174.857 174.600 -0.010 0.000 1.108 349 S CA 0.027 58.220 58.200 -0.011 0.000 0.971 349 S CB 1.779 64.940 63.200 -0.065 0.000 1.041 349 S HN 0.921 nan 8.310 nan 0.000 0.483 350 T N -0.131 114.420 114.554 -0.006 0.000 3.022 350 T HA 0.086 4.436 4.350 -0.000 0.000 0.250 350 T C 1.386 176.071 174.700 -0.024 0.000 1.060 350 T CA 0.793 62.890 62.100 -0.004 0.000 1.013 350 T CB -0.365 68.508 68.868 0.009 0.000 0.982 350 T HN 0.659 nan 8.240 nan 0.000 0.508 351 T N -1.869 112.667 114.554 -0.030 0.000 3.037 351 T HA 0.596 4.946 4.350 -0.000 0.000 0.251 351 T C 1.156 175.710 174.700 -0.243 0.000 1.079 351 T CA 0.335 62.423 62.100 -0.019 0.000 1.067 351 T CB 0.382 69.316 68.868 0.110 0.000 0.948 351 T HN 0.621 nan 8.240 nan 0.000 0.496 352 G N 0.449 108.923 108.800 -0.544 0.000 2.635 352 G HA2 0.483 4.443 3.960 -0.000 0.000 0.194 352 G HA3 0.483 4.443 3.960 -0.000 0.000 0.194 352 G C -1.754 172.803 174.900 -0.571 0.000 1.198 352 G CA -0.637 43.835 45.100 -1.046 0.000 0.972 352 G HN 0.471 nan 8.290 nan 0.000 0.520 353 W N 0.231 121.250 121.300 -0.468 0.000 2.390 353 W HA 0.740 5.400 4.660 -0.000 0.000 0.362 353 W C -0.275 176.183 176.519 -0.102 0.000 1.206 353 W CA -1.332 55.875 57.345 -0.230 0.000 1.355 353 W CB 0.678 29.969 29.460 -0.281 0.000 1.278 353 W HN 0.271 nan 8.180 nan 0.000 0.653 354 V N 3.294 123.267 119.914 0.100 0.000 2.546 354 V HA 0.659 4.779 4.120 -0.000 0.000 0.284 354 V C 0.897 177.079 176.094 0.147 0.000 1.050 354 V CA 0.351 62.683 62.300 0.053 0.000 0.981 354 V CB -0.052 31.806 31.823 0.059 0.000 0.990 354 V HN 1.326 nan 8.190 nan 0.000 0.474 355 G N 4.676 113.520 108.800 0.073 0.000 2.846 355 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.660 355 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.660 355 G C 0.332 175.351 174.900 0.198 0.000 1.464 355 G CA 0.255 45.427 45.100 0.120 0.000 0.891 355 G HN 0.697 nan 8.290 nan 0.000 0.552 356 R N -0.586 120.005 120.500 0.152 0.000 2.066 356 R HA 0.122 4.462 4.340 -0.000 0.000 0.232 356 R C 1.940 178.211 176.300 -0.048 0.000 1.131 356 R CA 2.183 58.328 56.100 0.075 0.000 0.955 356 R CB -0.069 30.241 30.300 0.015 0.000 0.851 356 R HN 0.491 nan 8.270 nan 0.000 0.432 357 F N -1.174 118.914 119.950 0.231 0.000 2.658 357 F HA 0.230 4.757 4.527 -0.000 0.000 0.293 357 F C 0.335 176.158 175.800 0.037 0.000 0.986 357 F CA -0.320 57.750 58.000 0.118 0.000 1.182 357 F CB 0.666 39.739 39.000 0.121 0.000 0.965 357 F HN -0.189 nan 8.300 nan 0.000 0.659 358 R N 0.917 121.560 120.500 0.238 0.000 2.651 358 R HA 0.446 4.786 4.340 -0.000 0.000 0.278 358 R C -3.225 173.142 176.300 0.111 0.000 1.010 358 R CA -1.879 54.283 56.100 0.104 0.000 0.896 358 R CB 1.196 31.524 30.300 0.047 0.000 1.211 358 R HN -0.248 nan 8.270 nan 0.000 0.456 359 P HA -0.110 nan 4.420 nan 0.000 0.264 359 P C 0.229 177.558 177.300 0.047 0.000 1.183 359 P CA 0.240 63.372 63.100 0.054 0.000 0.763 359 P CB 0.790 32.502 31.700 0.019 0.000 0.807 360 S N 1.760 117.497 115.700 0.061 0.000 2.553 360 S HA -0.090 4.380 4.470 -0.000 0.000 0.271 360 S C 0.175 174.795 174.600 0.033 0.000 1.362 360 S CA -0.238 58.009 58.200 0.077 0.000 1.010 360 S CB 0.161 63.422 63.200 0.100 0.000 0.865 360 S HN 0.635 nan 8.310 nan 0.000 0.543 361 E N 1.876 122.120 120.200 0.074 0.000 2.200 361 E HA 0.388 4.738 4.350 -0.000 0.000 0.283 361 E C -2.392 174.211 176.600 0.006 0.000 1.015 361 E CA -2.672 53.736 56.400 0.015 0.000 0.819 361 E CB 0.892 30.622 29.700 0.050 0.000 1.081 361 E HN 0.551 nan 8.360 nan 0.000 0.397 362 P HA 0.100 nan 4.420 nan 0.000 0.279 362 P C -1.116 176.087 177.300 -0.162 0.000 1.239 362 P CA -0.089 62.864 63.100 -0.245 0.000 0.789 362 P CB 0.723 32.015 31.700 -0.679 0.000 0.933 363 H N 2.730 121.813 119.070 0.021 0.000 2.792 363 H HA 0.268 4.824 4.556 -0.000 0.000 0.298 363 H C -0.183 175.286 175.328 0.234 0.000 1.042 363 H CA -0.415 55.747 56.048 0.190 0.000 1.300 363 H CB 0.191 30.088 29.762 0.225 0.000 1.431 363 H HN 0.308 nan 8.280 nan 0.000 0.496 364 F N 1.997 122.115 119.950 0.281 0.000 2.429 364 F HA 0.028 4.555 4.527 -0.000 0.000 0.348 364 F C 1.610 177.601 175.800 0.319 0.000 1.109 364 F CA -0.348 57.834 58.000 0.303 0.000 1.232 364 F CB 0.824 39.937 39.000 0.189 0.000 1.157 364 F HN 0.338 nan 8.300 nan 0.000 0.564 365 T N 1.067 115.913 114.554 0.486 0.000 2.898 365 T HA 0.140 4.490 4.350 -0.000 0.000 0.301 365 T C 1.178 176.077 174.700 0.332 0.000 1.049 365 T CA -0.853 61.482 62.100 0.392 0.000 1.095 365 T CB 0.877 69.960 68.868 0.358 0.000 0.976 365 T HN 0.601 nan 8.240 nan 0.000 0.539 366 L N 1.498 122.873 121.223 0.253 0.000 2.030 366 L HA -0.221 4.119 4.340 -0.000 0.000 0.222 366 L C 2.211 179.199 176.870 0.197 0.000 1.082 366 L CA 2.636 57.598 54.840 0.204 0.000 0.785 366 L CB -1.005 41.148 42.059 0.158 0.000 0.895 366 L HN 0.963 nan 8.230 nan 0.000 0.439 367 D N -1.141 119.375 120.400 0.194 0.000 2.363 367 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 367 D C 1.414 177.837 176.300 0.204 0.000 0.994 367 D CA 0.786 54.891 54.000 0.174 0.000 0.890 367 D CB -0.714 40.176 40.800 0.150 0.000 0.906 367 D HN 0.519 nan 8.370 nan 0.000 0.530 368 G N 0.947 109.916 108.800 0.282 0.000 2.350 368 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.298 368 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.298 368 G C 0.228 175.339 174.900 0.351 0.000 1.037 368 G CA 0.468 45.790 45.100 0.370 0.000 1.074 368 G HN 0.508 nan 8.290 nan 0.000 0.511 369 N N -0.979 117.906 118.700 0.308 0.000 2.168 369 N HA 0.325 5.065 4.740 -0.000 0.000 0.216 369 N C 0.482 176.089 175.510 0.162 0.000 1.259 369 N CA 0.397 53.579 53.050 0.220 0.000 0.902 369 N CB 0.888 39.464 38.487 0.148 0.000 1.079 369 N HN 0.691 nan 8.380 nan 0.000 0.507 370 S N -0.125 115.677 115.700 0.170 0.000 2.596 370 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 370 S C -1.325 173.250 174.600 -0.040 0.000 1.155 370 S CA -0.975 57.162 58.200 -0.106 0.000 0.827 370 S CB 1.571 64.657 63.200 -0.191 0.000 1.130 370 S HN 0.161 nan 8.310 nan 0.000 0.467 371 F N -1.885 117.822 119.950 -0.404 0.000 2.741 371 F HA 0.845 5.372 4.527 -0.000 0.000 0.313 371 F C -2.326 173.222 175.800 -0.420 0.000 1.153 371 F CA -1.577 56.153 58.000 -0.451 0.000 0.931 371 F CB 0.495 38.871 39.000 -1.039 0.000 1.335 371 F HN 0.606 nan 8.300 nan 0.000 0.460 372 Y N 0.835 121.315 120.300 0.299 0.000 2.485 372 Y HA 0.732 5.282 4.550 -0.000 0.000 0.345 372 Y C -0.656 175.422 175.900 0.296 0.000 0.998 372 Y CA -1.089 57.172 58.100 0.267 0.000 1.059 372 Y CB 2.291 40.850 38.460 0.166 0.000 1.234 372 Y HN 0.754 nan 8.280 nan 0.000 0.461 373 K N 0.740 121.373 120.400 0.388 0.000 2.589 373 K HA 0.559 4.879 4.320 -0.000 0.000 0.265 373 K C -2.038 174.702 176.600 0.233 0.000 0.935 373 K CA -0.652 55.798 56.287 0.272 0.000 0.850 373 K CB 1.064 33.647 32.500 0.137 0.000 1.372 373 K HN 0.596 nan 8.250 nan 0.000 0.420 374 I N 4.619 125.297 120.570 0.179 0.000 2.436 374 I HA 0.271 4.441 4.170 -0.000 0.000 0.289 374 I C 0.283 176.491 176.117 0.151 0.000 1.083 374 I CA -0.435 60.956 61.300 0.152 0.000 1.372 374 I CB -0.147 37.918 38.000 0.107 0.000 1.408 374 I HN 0.601 nan 8.210 nan 0.000 0.516 375 I N 1.910 122.604 120.570 0.207 0.000 2.892 375 I HA 0.533 4.703 4.170 -0.000 0.000 0.306 375 I C -0.069 176.157 176.117 0.181 0.000 1.078 375 I CA -0.790 60.623 61.300 0.187 0.000 1.032 375 I CB 2.069 40.207 38.000 0.230 0.000 1.229 375 I HN 0.344 nan 8.210 nan 0.000 0.435 376 S N 2.434 118.186 115.700 0.088 0.000 2.562 376 S HA 0.178 4.648 4.470 -0.000 0.000 0.281 376 S C 0.274 174.906 174.600 0.053 0.000 1.333 376 S CA -0.256 57.944 58.200 -0.001 0.000 1.052 376 S CB -0.016 63.134 63.200 -0.082 0.000 0.884 376 S HN 0.702 nan 8.310 nan 0.000 0.506 377 N N 1.721 120.374 118.700 -0.080 0.000 2.235 377 N HA 0.022 4.762 4.740 -0.000 0.000 0.231 377 N C 1.078 176.545 175.510 -0.072 0.000 1.330 377 N CA 0.073 53.000 53.050 -0.205 0.000 0.898 377 N CB 0.291 38.651 38.487 -0.213 0.000 1.151 377 N HN 0.834 nan 8.380 nan 0.000 0.472 378 E N 0.157 120.299 120.200 -0.097 0.000 2.190 378 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 378 E C 0.894 177.467 176.600 -0.046 0.000 0.978 378 E CA 1.101 57.485 56.400 -0.028 0.000 0.839 378 E CB -0.005 29.685 29.700 -0.017 0.000 0.787 378 E HN 0.608 nan 8.360 nan 0.000 0.473 379 E N -0.941 119.218 120.200 -0.068 0.000 2.476 379 E HA 0.056 4.406 4.350 -0.000 0.000 0.191 379 E C 0.464 177.119 176.600 0.092 0.000 1.064 379 E CA 0.490 56.885 56.400 -0.008 0.000 0.866 379 E CB -0.039 29.622 29.700 -0.065 0.000 0.952 379 E HN 0.449 nan 8.360 nan 0.000 0.492 380 G N 0.503 109.297 108.800 -0.010 0.000 2.195 380 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 380 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 380 G C -0.271 174.456 174.900 -0.287 0.000 0.984 380 G CA 0.362 45.370 45.100 -0.153 0.000 0.633 380 G HN 0.221 nan 8.290 nan 0.000 0.525 381 Y N 0.663 120.824 120.300 -0.231 0.000 2.334 381 Y HA 0.686 5.236 4.550 -0.000 0.000 0.328 381 Y C 1.164 176.871 175.900 -0.322 0.000 1.130 381 Y CA -1.071 56.866 58.100 -0.272 0.000 1.163 381 Y CB 0.866 39.171 38.460 -0.259 0.000 1.207 381 Y HN 0.063 nan 8.280 nan 0.000 0.471 382 R N 3.381 123.721 120.500 -0.267 0.000 2.242 382 R HA 0.275 4.615 4.340 -0.000 0.000 0.334 382 R C -0.769 175.237 176.300 -0.490 0.000 1.071 382 R CA -0.166 55.785 56.100 -0.248 0.000 0.922 382 R CB 0.081 30.294 30.300 -0.144 0.000 1.023 382 R HN 0.655 nan 8.270 nan 0.000 0.458 383 H N 1.862 120.876 119.070 -0.095 0.000 2.855 383 H HA 0.337 4.893 4.556 -0.000 0.000 0.363 383 H C 0.196 175.593 175.328 0.114 0.000 1.185 383 H CA -0.997 54.982 56.048 -0.116 0.000 1.174 383 H CB 1.682 31.248 29.762 -0.326 0.000 1.857 383 H HN 0.313 nan 8.280 nan 0.000 0.565 384 I N 1.297 121.963 120.570 0.160 0.000 2.533 384 I HA -0.024 4.146 4.170 -0.000 0.000 0.284 384 I C 0.442 176.679 176.117 0.200 0.000 1.109 384 I CA 0.359 61.745 61.300 0.142 0.000 1.412 384 I CB 0.214 38.210 38.000 -0.006 0.000 1.396 384 I HN 0.146 nan 8.210 nan 0.000 0.543 385 c N 7.285 125.976 118.600 0.151 0.000 2.417 385 c HA 0.407 4.977 4.570 -0.000 0.000 0.324 385 c C -0.281 173.789 174.090 -0.035 0.000 1.240 385 c CA -0.536 55.710 56.329 -0.139 0.000 1.632 385 c CB 1.042 43.270 42.510 -0.471 0.000 2.241 385 c HN 0.639 nan 8.230 nan 0.000 0.499 386 Y N 4.671 124.729 120.300 -0.404 0.000 2.327 386 Y HA 0.646 5.196 4.550 -0.000 0.000 0.336 386 Y C -0.983 174.491 175.900 -0.710 0.000 1.035 386 Y CA -0.596 57.188 58.100 -0.526 0.000 1.165 386 Y CB 0.209 38.447 38.460 -0.369 0.000 1.181 386 Y HN 0.603 nan 8.280 nan 0.000 0.494 387 F N 3.463 122.559 119.950 -1.423 0.000 2.546 387 F HA 0.457 4.983 4.527 -0.000 0.000 0.320 387 F C -0.376 174.627 175.800 -1.328 0.000 1.076 387 F CA -0.989 56.150 58.000 -1.436 0.000 0.928 387 F CB 1.793 39.544 39.000 -2.082 0.000 1.189 387 F HN 0.271 nan 8.300 nan 0.000 0.465 388 Q N 2.338 121.780 119.800 -0.597 0.000 2.325 388 Q HA 0.367 4.707 4.340 -0.000 0.000 0.262 388 Q C 1.047 177.009 176.000 -0.063 0.000 0.968 388 Q CA -0.285 55.313 55.803 -0.341 0.000 0.877 388 Q CB 1.380 29.973 28.738 -0.241 0.000 1.253 388 Q HN 0.714 nan 8.270 nan 0.000 0.448 389 I N -0.268 120.339 120.570 0.062 0.000 2.381 389 I HA -0.276 3.894 4.170 -0.000 0.000 0.255 389 I C 0.127 176.414 176.117 0.283 0.000 1.140 389 I CA 2.032 63.515 61.300 0.304 0.000 1.404 389 I CB 0.019 38.216 38.000 0.327 0.000 1.075 389 I HN 0.483 nan 8.210 nan 0.000 0.433 390 D N -0.527 119.948 120.400 0.126 0.000 2.433 390 D HA 0.154 4.794 4.640 -0.000 0.000 0.211 390 D C 0.280 176.582 176.300 0.003 0.000 1.114 390 D CA -0.196 53.833 54.000 0.048 0.000 0.837 390 D CB 0.001 40.817 40.800 0.026 0.000 0.984 390 D HN 0.168 nan 8.370 nan 0.000 0.505 391 K N 1.153 121.569 120.400 0.027 0.000 2.262 391 K HA 0.222 4.542 4.320 -0.000 0.000 0.282 391 K C 1.103 177.713 176.600 0.017 0.000 1.066 391 K CA -0.452 55.820 56.287 -0.026 0.000 0.901 391 K CB 1.332 33.774 32.500 -0.096 0.000 1.089 391 K HN 0.063 nan 8.250 nan 0.000 0.476 392 K N 0.637 121.012 120.400 -0.040 0.000 2.103 392 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 392 K C -0.475 176.114 176.600 -0.018 0.000 1.048 392 K CA 1.338 57.611 56.287 -0.024 0.000 0.930 392 K CB -0.009 32.457 32.500 -0.055 0.000 0.716 392 K HN 0.392 nan 8.250 nan 0.000 0.444 393 D N 1.138 121.466 120.400 -0.119 0.000 2.232 393 D HA 0.178 4.817 4.640 -0.000 0.000 0.242 393 D C -0.248 175.789 176.300 -0.437 0.000 1.093 393 D CA -0.640 53.224 54.000 -0.227 0.000 0.845 393 D CB 1.176 41.875 40.800 -0.168 0.000 1.124 393 D HN 0.437 nan 8.370 nan 0.000 0.467 394 c N 0.745 118.887 118.600 -0.764 0.000 2.345 394 c HA 0.793 5.363 4.570 -0.000 0.000 0.369 394 c C 0.219 173.864 174.090 -0.741 0.000 1.273 394 c CA -0.560 55.078 56.329 -1.152 0.000 2.310 394 c CB 0.942 42.018 42.510 -2.390 0.000 2.219 394 c HN 0.495 nan 8.230 nan 0.000 0.587 395 T N 2.001 116.200 114.554 -0.592 0.000 2.833 395 T HA 0.437 4.786 4.350 -0.000 0.000 0.297 395 T C -0.569 173.968 174.700 -0.272 0.000 1.015 395 T CA 0.116 62.027 62.100 -0.314 0.000 0.963 395 T CB 0.014 68.853 68.868 -0.047 0.000 0.955 395 T HN 0.478 nan 8.240 nan 0.000 0.449 396 F N 3.246 123.108 119.950 -0.147 0.000 2.629 396 F HA 0.123 4.649 4.527 -0.000 0.000 0.377 396 F C 1.683 177.357 175.800 -0.210 0.000 1.101 396 F CA -0.464 57.440 58.000 -0.159 0.000 1.301 396 F CB 0.271 39.168 39.000 -0.171 0.000 1.062 396 F HN 0.580 nan 8.300 nan 0.000 0.583 397 I N -1.021 119.490 120.570 -0.098 0.000 4.082 397 I HA 0.280 4.450 4.170 -0.000 0.000 0.337 397 I C 0.060 176.034 176.117 -0.239 0.000 1.352 397 I CA 0.009 61.070 61.300 -0.400 0.000 1.097 397 I CB 0.082 37.570 38.000 -0.853 0.000 1.048 397 I HN 0.495 nan 8.210 nan 0.000 0.393 398 T N -0.240 114.202 114.554 -0.187 0.000 2.883 398 T HA 0.766 5.116 4.350 -0.000 0.000 0.296 398 T C -0.686 173.526 174.700 -0.813 0.000 1.117 398 T CA -0.617 61.299 62.100 -0.308 0.000 1.006 398 T CB 2.767 71.539 68.868 -0.159 0.000 1.191 398 T HN 0.518 nan 8.240 nan 0.000 0.508 399 K N -0.836 118.798 120.400 -1.275 0.000 2.809 399 K HA 0.690 5.010 4.320 -0.000 0.000 0.293 399 K C -0.295 175.526 176.600 -1.298 0.000 1.061 399 K CA -0.550 54.717 56.287 -1.701 0.000 0.837 399 K CB 0.756 32.754 32.500 -0.837 0.000 1.524 399 K HN 1.900 nan 8.250 nan 0.000 0.370 400 G N -0.227 107.985 108.800 -0.980 0.000 2.384 400 G HA2 0.066 4.026 3.960 -0.000 0.000 0.668 400 G HA3 0.066 4.026 3.960 -0.000 0.000 0.668 400 G C -0.803 173.587 174.900 -0.849 0.000 1.280 400 G CA -0.389 44.291 45.100 -0.699 0.000 0.992 400 G HN 1.303 nan 8.290 nan 0.000 0.512 401 T N -0.476 113.727 114.554 -0.585 0.000 3.579 401 T HA 0.604 4.954 4.350 -0.000 0.000 0.328 401 T C 0.129 174.828 174.700 -0.002 0.000 1.481 401 T CA 0.635 62.322 62.100 -0.688 0.000 1.144 401 T CB -0.838 67.786 68.868 -0.408 0.000 1.205 401 T HN 1.780 nan 8.240 nan 0.000 0.812 402 W N 0.038 121.350 121.300 0.019 0.000 2.946 402 W HA 0.538 5.198 4.660 -0.000 0.000 0.364 402 W C -1.707 174.844 176.519 0.053 0.000 1.134 402 W CA -0.912 56.494 57.345 0.102 0.000 1.140 402 W CB 0.437 29.912 29.460 0.025 0.000 1.463 402 W HN 0.309 nan 8.180 nan 0.000 0.564 403 E N 0.627 121.045 120.200 0.363 0.000 2.343 403 E HA 0.459 4.809 4.350 -0.000 0.000 0.270 403 E C -1.243 175.476 176.600 0.198 0.000 0.895 403 E CA -1.219 55.188 56.400 0.011 0.000 0.767 403 E CB 3.336 33.039 29.700 0.004 0.000 1.248 403 E HN 0.176 nan 8.360 nan 0.000 0.440 404 V N 4.063 123.959 119.914 -0.029 0.000 2.372 404 V HA 0.001 4.121 4.120 -0.000 0.000 0.261 404 V C 1.389 177.554 176.094 0.117 0.000 1.055 404 V CA -0.055 62.297 62.300 0.088 0.000 0.930 404 V CB 0.164 31.927 31.823 -0.100 0.000 1.031 404 V HN 0.706 nan 8.190 nan 0.000 0.479 405 I N 3.563 124.237 120.570 0.172 0.000 2.142 405 I HA 0.041 4.211 4.170 -0.000 0.000 0.240 405 I C 1.202 177.425 176.117 0.177 0.000 1.078 405 I CA 1.564 62.965 61.300 0.168 0.000 1.343 405 I CB -0.799 37.252 38.000 0.085 0.000 1.046 405 I HN 0.734 nan 8.210 nan 0.000 0.405 406 G N 0.260 109.166 108.800 0.176 0.000 2.733 406 G HA2 0.503 4.463 3.960 -0.000 0.000 0.297 406 G HA3 0.503 4.463 3.960 -0.000 0.000 0.297 406 G C -1.008 173.981 174.900 0.148 0.000 1.452 406 G CA -0.611 44.591 45.100 0.169 0.000 0.940 406 G HN 0.009 nan 8.290 nan 0.000 0.547 407 I N 2.007 122.606 120.570 0.048 0.000 2.452 407 I HA 0.143 4.313 4.170 -0.000 0.000 0.287 407 I C 0.826 176.901 176.117 -0.070 0.000 1.079 407 I CA -0.264 60.958 61.300 -0.131 0.000 1.387 407 I CB 1.273 38.887 38.000 -0.644 0.000 1.404 407 I HN 0.501 nan 8.210 nan 0.000 0.522 408 E N 5.264 125.466 120.200 0.004 0.000 2.389 408 E HA 0.321 4.671 4.350 -0.000 0.000 0.199 408 E C 0.200 176.696 176.600 -0.173 0.000 0.978 408 E CA 0.153 56.573 56.400 0.033 0.000 0.912 408 E CB 0.847 30.637 29.700 0.150 0.000 0.907 408 E HN 0.698 nan 8.360 nan 0.000 0.494 409 A N 0.754 123.406 122.820 -0.280 0.000 2.594 409 A HA 0.559 4.879 4.320 -0.000 0.000 0.296 409 A C -1.992 175.511 177.584 -0.135 0.000 1.056 409 A CA -0.679 51.113 52.037 -0.409 0.000 0.693 409 A CB 1.188 19.374 19.000 -1.356 0.000 1.278 409 A HN 0.042 nan 8.150 nan 0.000 0.408 410 L N 1.503 122.699 121.223 -0.045 0.000 2.410 410 L HA 0.916 5.256 4.340 -0.000 0.000 0.270 410 L C -0.136 176.774 176.870 0.067 0.000 0.983 410 L CA 0.463 55.319 54.840 0.028 0.000 0.822 410 L CB 2.313 44.422 42.059 0.084 0.000 1.285 410 L HN 1.241 nan 8.230 nan 0.000 0.409 411 T N -0.485 114.127 114.554 0.097 0.000 2.909 411 T HA 0.347 4.697 4.350 -0.000 0.000 0.299 411 T C 0.888 175.648 174.700 0.099 0.000 1.073 411 T CA -0.014 62.153 62.100 0.112 0.000 0.999 411 T CB 1.358 70.322 68.868 0.160 0.000 1.098 411 T HN 0.723 nan 8.240 nan 0.000 0.477 412 S N 0.537 116.295 115.700 0.097 0.000 2.484 412 S HA -0.208 4.262 4.470 -0.000 0.000 0.250 412 S C 1.076 175.698 174.600 0.035 0.000 0.995 412 S CA 1.501 59.749 58.200 0.080 0.000 0.967 412 S CB -0.537 62.709 63.200 0.077 0.000 0.752 412 S HN 0.783 nan 8.310 nan 0.000 0.517 413 D N -0.224 120.204 120.400 0.047 0.000 2.584 413 D HA 0.219 4.859 4.640 -0.000 0.000 0.254 413 D C -0.161 176.015 176.300 -0.206 0.000 1.085 413 D CA 0.682 54.669 54.000 -0.020 0.000 0.971 413 D CB 0.265 41.167 40.800 0.170 0.000 1.103 413 D HN 0.416 nan 8.370 nan 0.000 0.453 414 Y N -0.266 120.005 120.300 -0.048 0.000 2.630 414 Y HA 0.471 5.020 4.550 -0.000 0.000 0.337 414 Y C -0.115 175.660 175.900 -0.207 0.000 1.051 414 Y CA -1.031 56.959 58.100 -0.182 0.000 1.121 414 Y CB 1.730 39.964 38.460 -0.377 0.000 1.299 414 Y HN -0.143 nan 8.280 nan 0.000 0.498 415 L N 2.608 123.743 121.223 -0.147 0.000 2.343 415 L HA 0.465 4.805 4.340 -0.000 0.000 0.278 415 L C -2.026 174.737 176.870 -0.179 0.000 0.996 415 L CA -0.784 53.946 54.840 -0.183 0.000 0.831 415 L CB 0.289 42.150 42.059 -0.329 0.000 1.232 415 L HN 0.626 nan 8.230 nan 0.000 0.413 416 Y N 6.006 126.224 120.300 -0.137 0.000 2.320 416 Y HA 0.528 5.078 4.550 -0.000 0.000 0.334 416 Y C 0.003 175.879 175.900 -0.040 0.000 1.055 416 Y CA -0.223 57.789 58.100 -0.146 0.000 1.143 416 Y CB 1.217 39.493 38.460 -0.308 0.000 1.193 416 Y HN 0.579 nan 8.280 nan 0.000 0.477 417 Y N 0.312 120.656 120.300 0.073 0.000 2.644 417 Y HA 0.847 5.396 4.550 -0.000 0.000 0.338 417 Y C -1.770 174.197 175.900 0.111 0.000 1.119 417 Y CA -2.171 55.963 58.100 0.056 0.000 1.060 417 Y CB 1.235 39.704 38.460 0.016 0.000 1.294 417 Y HN 0.381 nan 8.280 nan 0.000 0.472 418 I N 2.841 123.600 120.570 0.316 0.000 2.465 418 I HA 0.619 4.789 4.170 -0.000 0.000 0.291 418 I C -0.567 175.719 176.117 0.282 0.000 1.014 418 I CA -0.612 60.806 61.300 0.197 0.000 1.093 418 I CB 2.133 40.201 38.000 0.113 0.000 1.267 418 I HN 0.881 nan 8.210 nan 0.000 0.431 419 S N 3.091 118.902 115.700 0.186 0.000 2.732 419 S HA 0.477 4.947 4.470 -0.000 0.000 0.293 419 S C -0.411 174.197 174.600 0.014 0.000 1.159 419 S CA -0.803 57.472 58.200 0.125 0.000 0.847 419 S CB 1.828 65.068 63.200 0.067 0.000 1.169 419 S HN 0.659 nan 8.310 nan 0.000 0.501 420 N N -0.650 118.053 118.700 0.004 0.000 2.338 420 N HA 0.130 4.870 4.740 -0.000 0.000 0.251 420 N C 0.534 175.996 175.510 -0.080 0.000 1.199 420 N CA -0.185 52.843 53.050 -0.035 0.000 0.879 420 N CB 0.176 38.644 38.487 -0.032 0.000 1.159 420 N HN 0.847 nan 8.380 nan 0.000 0.514 421 E N 0.063 120.082 120.200 -0.301 0.000 2.047 421 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 421 E C -0.273 176.187 176.600 -0.234 0.000 0.987 421 E CA 0.180 56.209 56.400 -0.617 0.000 0.799 421 E CB -0.171 28.529 29.700 -1.666 0.000 0.752 421 E HN 0.308 nan 8.360 nan 0.000 0.449 422 Y N 1.905 122.106 120.300 -0.166 0.000 2.944 422 Y HA -0.156 4.394 4.550 -0.000 0.000 0.340 422 Y C 0.402 176.271 175.900 -0.052 0.000 1.275 422 Y CA 0.984 59.055 58.100 -0.049 0.000 1.590 422 Y CB 0.129 38.596 38.460 0.011 0.000 1.218 422 Y HN 0.170 nan 8.280 nan 0.000 0.576 423 K N 3.123 123.226 120.400 -0.495 0.000 3.274 423 K HA -0.225 4.095 4.320 -0.000 0.000 0.305 423 K C 0.863 177.390 176.600 -0.122 0.000 1.225 423 K CA 1.317 57.385 56.287 -0.365 0.000 0.904 423 K CB -1.637 30.627 32.500 -0.393 0.000 1.227 423 K HN 1.345 nan 8.250 nan 0.000 0.453 424 G N 0.167 108.913 108.800 -0.090 0.000 2.187 424 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.261 424 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.261 424 G C 0.053 174.943 174.900 -0.017 0.000 1.000 424 G CA 0.920 46.014 45.100 -0.009 0.000 0.718 424 G HN 0.512 nan 8.290 nan 0.000 0.519 425 M N -0.964 118.554 119.600 -0.136 0.000 2.061 425 M HA 0.468 4.948 4.480 -0.000 0.000 0.346 425 M C -1.088 174.952 176.300 -0.432 0.000 1.112 425 M CA -2.159 52.872 55.300 -0.450 0.000 1.021 425 M CB 1.816 34.139 32.600 -0.461 0.000 1.530 425 M HN -0.092 nan 8.290 nan 0.000 0.437 426 P HA -0.145 nan 4.420 nan 0.000 0.217 426 P C 1.068 178.220 177.300 -0.246 0.000 1.148 426 P CA 1.864 64.792 63.100 -0.288 0.000 0.828 426 P CB -0.081 31.454 31.700 -0.275 0.000 0.783 427 G N -0.382 108.200 108.800 -0.363 0.000 3.424 427 G HA2 0.369 4.329 3.960 -0.000 0.000 0.263 427 G HA3 0.369 4.329 3.960 -0.000 0.000 0.263 427 G C 0.526 175.419 174.900 -0.011 0.000 1.310 427 G CA 0.088 45.103 45.100 -0.140 0.000 1.089 427 G HN 0.481 nan 8.290 nan 0.000 0.534 428 G N -0.297 108.449 108.800 -0.090 0.000 2.537 428 G HA2 0.701 4.661 3.960 -0.000 0.000 0.308 428 G HA3 0.701 4.661 3.960 -0.000 0.000 0.308 428 G C -1.083 173.689 174.900 -0.213 0.000 1.237 428 G CA -0.825 44.251 45.100 -0.040 0.000 0.968 428 G HN 0.106 nan 8.290 nan 0.000 0.481 429 R N 0.720 121.059 120.500 -0.267 0.000 2.604 429 R HA 0.521 4.861 4.340 -0.000 0.000 0.281 429 R C -1.288 174.996 176.300 -0.028 0.000 1.020 429 R CA -0.873 55.042 56.100 -0.308 0.000 0.899 429 R CB 2.068 31.894 30.300 -0.790 0.000 1.205 429 R HN 0.632 nan 8.270 nan 0.000 0.450 430 N N 1.333 120.037 118.700 0.007 0.000 2.484 430 N HA 0.310 5.050 4.740 -0.000 0.000 0.269 430 N C -1.490 173.970 175.510 -0.084 0.000 1.237 430 N CA -0.755 52.246 53.050 -0.083 0.000 0.838 430 N CB 2.768 41.150 38.487 -0.175 0.000 1.593 430 N HN 0.284 nan 8.380 nan 0.000 0.485 431 L N 2.019 123.050 121.223 -0.320 0.000 2.289 431 L HA 0.551 4.891 4.340 -0.000 0.000 0.285 431 L C -1.466 175.135 176.870 -0.447 0.000 1.049 431 L CA -0.032 54.658 54.840 -0.250 0.000 0.804 431 L CB 0.132 42.051 42.059 -0.234 0.000 1.195 431 L HN 0.412 nan 8.230 nan 0.000 0.428 432 Y N 3.164 123.116 120.300 -0.581 0.000 2.602 432 Y HA 0.663 5.213 4.550 -0.000 0.000 0.342 432 Y C -0.535 174.986 175.900 -0.631 0.000 1.029 432 Y CA -0.951 56.756 58.100 -0.656 0.000 1.080 432 Y CB 1.731 39.640 38.460 -0.918 0.000 1.284 432 Y HN 0.573 nan 8.280 nan 0.000 0.485 433 K N 1.665 121.870 120.400 -0.324 0.000 2.482 433 K HA 0.711 5.031 4.320 -0.000 0.000 0.251 433 K C -1.925 174.610 176.600 -0.109 0.000 0.936 433 K CA -0.640 55.378 56.287 -0.448 0.000 0.791 433 K CB 2.568 34.531 32.500 -0.895 0.000 1.213 433 K HN 0.746 nan 8.250 nan 0.000 0.428 434 I N 2.493 123.068 120.570 0.009 0.000 2.404 434 I HA 0.152 4.322 4.170 -0.000 0.000 0.293 434 I C -0.591 175.570 176.117 0.072 0.000 0.992 434 I CA -0.856 60.514 61.300 0.117 0.000 1.149 434 I CB 1.916 39.994 38.000 0.131 0.000 1.315 434 I HN 0.836 nan 8.210 nan 0.000 0.446 435 Q N 5.670 125.476 119.800 0.009 0.000 2.296 435 Q HA 0.075 4.415 4.340 -0.000 0.000 0.263 435 Q C 0.303 176.181 176.000 -0.203 0.000 1.026 435 Q CA -0.545 55.022 55.803 -0.393 0.000 0.912 435 Q CB 1.129 29.720 28.738 -0.244 0.000 1.198 435 Q HN 0.713 nan 8.270 nan 0.000 0.407 436 L N 3.248 124.305 121.223 -0.277 0.000 2.127 436 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 436 L C 2.048 178.825 176.870 -0.154 0.000 1.089 436 L CA 1.544 56.336 54.840 -0.081 0.000 0.757 436 L CB -0.819 41.172 42.059 -0.113 0.000 0.899 436 L HN 0.623 nan 8.230 nan 0.000 0.434 437 S N -1.308 114.256 115.700 -0.227 0.000 2.355 437 S HA -0.116 4.354 4.470 -0.000 0.000 0.222 437 S C 0.749 175.192 174.600 -0.263 0.000 1.031 437 S CA 1.087 59.151 58.200 -0.226 0.000 0.993 437 S CB -0.111 62.978 63.200 -0.186 0.000 0.859 437 S HN 0.443 nan 8.310 nan 0.000 0.453 438 D N -0.562 119.720 120.400 -0.198 0.000 2.421 438 D HA 0.302 4.942 4.640 -0.000 0.000 0.254 438 D C -0.083 176.209 176.300 -0.012 0.000 1.238 438 D CA -0.555 53.350 54.000 -0.158 0.000 0.919 438 D CB 0.244 40.990 40.800 -0.089 0.000 1.152 438 D HN -0.069 nan 8.370 nan 0.000 0.552 439 Y N 1.477 121.742 120.300 -0.058 0.000 2.384 439 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 439 Y C 2.437 178.334 175.900 -0.005 0.000 1.152 439 Y CA 0.840 58.920 58.100 -0.033 0.000 1.258 439 Y CB -0.916 37.525 38.460 -0.031 0.000 0.979 439 Y HN 0.377 nan 8.280 nan 0.000 0.549 440 T N -0.148 114.483 114.554 0.127 0.000 2.962 440 T HA -0.070 4.280 4.350 -0.000 0.000 0.270 440 T C 0.662 175.410 174.700 0.080 0.000 1.088 440 T CA 0.662 62.812 62.100 0.084 0.000 1.127 440 T CB -0.198 68.693 68.868 0.038 0.000 0.883 440 T HN 0.155 nan 8.240 nan 0.000 0.493 441 K N 1.683 122.130 120.400 0.079 0.000 2.299 441 K HA 0.474 4.794 4.320 -0.000 0.000 0.268 441 K C -1.228 175.438 176.600 0.111 0.000 1.075 441 K CA -0.272 56.062 56.287 0.078 0.000 0.936 441 K CB 1.848 34.380 32.500 0.054 0.000 1.228 441 K HN -0.018 nan 8.250 nan 0.000 0.454 442 V N 3.012 122.996 119.914 0.116 0.000 2.483 442 V HA 0.404 4.524 4.120 -0.000 0.000 0.297 442 V C -1.067 175.086 176.094 0.099 0.000 1.027 442 V CA -0.191 62.191 62.300 0.138 0.000 0.855 442 V CB 1.982 33.920 31.823 0.191 0.000 0.995 442 V HN 0.676 nan 8.190 nan 0.000 0.424 443 T N 6.001 120.578 114.554 0.038 0.000 2.797 443 T HA 0.327 4.677 4.350 -0.000 0.000 0.279 443 T C -0.396 174.199 174.700 -0.176 0.000 0.991 443 T CA -0.255 61.813 62.100 -0.053 0.000 0.979 443 T CB 1.130 69.941 68.868 -0.095 0.000 0.943 443 T HN 0.891 nan 8.240 nan 0.000 0.444 444 C N 4.887 124.005 119.300 -0.303 0.000 2.499 444 C HA 0.423 4.883 4.460 -0.000 0.000 0.386 444 C C 1.573 176.229 174.990 -0.557 0.000 1.293 444 C CA -0.585 57.981 59.018 -0.754 0.000 1.884 444 C CB -1.681 25.482 27.740 -0.962 0.000 2.509 444 C HN 0.980 nan 8.230 nan 0.000 0.566 445 L N 4.781 125.659 121.223 -0.575 0.000 2.567 445 L HA 0.131 4.471 4.340 -0.000 0.000 0.225 445 L C 1.888 178.485 176.870 -0.456 0.000 1.119 445 L CA 0.687 55.295 54.840 -0.387 0.000 0.871 445 L CB -0.288 41.597 42.059 -0.289 0.000 1.036 445 L HN 0.899 nan 8.230 nan 0.000 0.459 446 S N -3.576 111.717 115.700 -0.677 0.000 2.648 446 S HA -0.018 4.452 4.470 -0.000 0.000 0.270 446 S C 1.674 175.840 174.600 -0.722 0.000 1.082 446 S CA -0.037 57.665 58.200 -0.830 0.000 1.116 446 S CB -0.321 61.975 63.200 -1.507 0.000 1.040 446 S HN 0.282 nan 8.310 nan 0.000 0.572 447 C N 2.041 120.854 119.300 -0.812 0.000 2.396 447 C HA -0.033 4.427 4.460 -0.000 0.000 0.279 447 C C 2.488 177.113 174.990 -0.608 0.000 1.229 447 C CA 1.700 60.108 59.018 -1.016 0.000 1.801 447 C CB -1.116 25.623 27.740 -1.668 0.000 2.050 447 C HN 0.666 nan 8.230 nan 0.000 0.491 448 E N -0.398 119.569 120.200 -0.389 0.000 2.447 448 E HA 0.196 4.546 4.350 -0.000 0.000 0.204 448 E C 1.936 178.485 176.600 -0.086 0.000 0.977 448 E CA -0.113 56.186 56.400 -0.168 0.000 0.950 448 E CB -0.185 29.434 29.700 -0.134 0.000 0.975 448 E HN 0.504 nan 8.360 nan 0.000 0.496 449 L N 0.610 121.770 121.223 -0.105 0.000 2.151 449 L HA -0.186 4.154 4.340 -0.000 0.000 0.215 449 L C 0.673 177.560 176.870 0.028 0.000 1.084 449 L CA 1.157 55.984 54.840 -0.021 0.000 0.764 449 L CB -0.207 41.861 42.059 0.015 0.000 0.891 449 L HN 0.181 nan 8.230 nan 0.000 0.435 450 N N -2.019 116.712 118.700 0.052 0.000 3.866 450 N HA 0.014 4.754 4.740 -0.000 0.000 0.151 450 N C -2.104 173.453 175.510 0.078 0.000 1.455 450 N CA -0.544 52.539 53.050 0.055 0.000 1.007 450 N CB 0.496 39.009 38.487 0.045 0.000 1.739 450 N HN -0.225 nan 8.380 nan 0.000 0.709 451 P HA -0.153 nan 4.420 nan 0.000 0.217 451 P C 0.932 178.291 177.300 0.098 0.000 1.148 451 P CA 1.121 64.302 63.100 0.135 0.000 0.828 451 P CB 0.651 32.447 31.700 0.160 0.000 0.783 452 E N 0.003 120.239 120.200 0.059 0.000 2.031 452 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 452 E C 2.268 178.880 176.600 0.020 0.000 0.994 452 E CA 1.167 57.589 56.400 0.036 0.000 0.800 452 E CB -0.393 29.319 29.700 0.020 0.000 0.752 452 E HN 0.332 nan 8.360 nan 0.000 0.447 453 R N -0.503 119.997 120.500 0.000 0.000 2.237 453 R HA 0.092 4.432 4.340 -0.000 0.000 0.195 453 R C -0.066 176.196 176.300 -0.064 0.000 0.956 453 R CA 0.284 56.361 56.100 -0.038 0.000 1.029 453 R CB 0.482 30.744 30.300 -0.064 0.000 0.972 453 R HN 0.024 nan 8.270 nan 0.000 0.493 454 c N 1.317 119.892 118.600 -0.041 0.000 2.322 454 c HA 0.434 5.004 4.570 -0.000 0.000 0.324 454 c C 0.104 174.208 174.090 0.023 0.000 1.249 454 c CA -0.666 55.585 56.329 -0.131 0.000 1.453 454 c CB 1.428 43.793 42.510 -0.241 0.000 2.145 454 c HN 0.521 nan 8.230 nan 0.000 0.466 455 Q N 0.538 120.345 119.800 0.011 0.000 2.081 455 Q HA 0.168 4.507 4.340 -0.000 0.000 0.220 455 Q C -0.996 175.105 176.000 0.168 0.000 0.775 455 Q CA 0.055 55.951 55.803 0.155 0.000 0.983 455 Q CB 1.409 30.233 28.738 0.142 0.000 1.188 455 Q HN 0.796 nan 8.270 nan 0.000 0.458 456 Y N 0.488 120.724 120.300 -0.107 0.000 2.333 456 Y HA 0.398 4.948 4.550 -0.000 0.000 0.324 456 Y C -1.574 174.203 175.900 -0.205 0.000 1.033 456 Y CA -0.998 57.054 58.100 -0.079 0.000 1.224 456 Y CB 0.912 39.318 38.460 -0.089 0.000 1.120 456 Y HN -0.088 nan 8.280 nan 0.000 0.457 457 Y N 2.103 122.346 120.300 -0.096 0.000 2.524 457 Y HA 0.678 5.228 4.550 -0.000 0.000 0.344 457 Y C -0.001 175.862 175.900 -0.062 0.000 1.012 457 Y CA -0.829 57.233 58.100 -0.063 0.000 1.068 457 Y CB 2.350 40.746 38.460 -0.107 0.000 1.249 457 Y HN 0.497 nan 8.280 nan 0.000 0.468 458 S N 0.684 116.484 115.700 0.167 0.000 2.599 458 S HA 0.873 5.343 4.470 -0.000 0.000 0.287 458 S C -1.631 173.055 174.600 0.144 0.000 1.105 458 S CA -0.741 57.544 58.200 0.140 0.000 0.899 458 S CB 1.859 65.151 63.200 0.154 0.000 1.100 458 S HN 0.612 nan 8.310 nan 0.000 0.482 459 V N 0.538 120.546 119.914 0.158 0.000 3.102 459 V HA 0.897 5.017 4.120 -0.000 0.000 0.312 459 V C -1.067 175.152 176.094 0.208 0.000 1.135 459 V CA -0.377 62.007 62.300 0.141 0.000 1.022 459 V CB 2.397 34.283 31.823 0.106 0.000 1.056 459 V HN 1.173 nan 8.190 nan 0.000 0.436 460 S N 3.741 119.547 115.700 0.176 0.000 2.775 460 S HA 0.630 5.100 4.470 -0.000 0.000 0.277 460 S C -1.276 173.525 174.600 0.336 0.000 1.156 460 S CA -0.400 57.998 58.200 0.330 0.000 1.081 460 S CB 0.322 63.728 63.200 0.343 0.000 1.054 460 S HN 0.466 nan 8.310 nan 0.000 0.482 461 F N 3.007 123.056 119.950 0.165 0.000 2.377 461 F HA 0.491 5.018 4.527 -0.000 0.000 0.328 461 F C 1.355 176.795 175.800 -0.600 0.000 1.094 461 F CA -0.304 57.622 58.000 -0.124 0.000 1.093 461 F CB 1.422 40.314 39.000 -0.179 0.000 1.214 461 F HN 0.596 nan 8.300 nan 0.000 0.518 462 S N 1.746 116.907 115.700 -0.898 0.000 2.632 462 S HA 0.217 4.687 4.470 -0.000 0.000 0.267 462 S C 1.138 175.524 174.600 -0.356 0.000 1.276 462 S CA -0.907 56.561 58.200 -1.221 0.000 0.998 462 S CB 1.047 63.503 63.200 -1.240 0.000 0.953 462 S HN 0.517 nan 8.310 nan 0.000 0.547 463 K N 0.908 121.218 120.400 -0.151 0.000 2.184 463 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 463 K C 0.745 177.332 176.600 -0.022 0.000 1.048 463 K CA 1.802 58.086 56.287 -0.005 0.000 0.931 463 K CB -0.428 32.113 32.500 0.068 0.000 0.718 463 K HN 0.713 nan 8.250 nan 0.000 0.465 464 E N -1.467 118.684 120.200 -0.080 0.000 2.734 464 E HA 0.271 4.621 4.350 -0.000 0.000 0.211 464 E C -0.230 176.318 176.600 -0.086 0.000 0.991 464 E CA 0.210 56.575 56.400 -0.059 0.000 1.065 464 E CB 0.581 30.250 29.700 -0.052 0.000 1.047 464 E HN 0.223 nan 8.360 nan 0.000 0.470 465 A N 1.541 124.305 122.820 -0.093 0.000 2.791 465 A HA -0.299 4.021 4.320 -0.000 0.000 0.292 465 A C 1.369 178.900 177.584 -0.087 0.000 1.487 465 A CA 1.620 53.649 52.037 -0.014 0.000 0.760 465 A CB -2.024 16.891 19.000 -0.141 0.000 1.031 465 A HN 0.250 nan 8.150 nan 0.000 0.503 466 K N -1.734 118.518 120.400 -0.246 0.000 2.242 466 K HA 0.267 4.587 4.320 -0.000 0.000 0.200 466 K C -0.075 176.143 176.600 -0.636 0.000 1.050 466 K CA 0.934 56.940 56.287 -0.469 0.000 0.981 466 K CB 0.212 32.318 32.500 -0.657 0.000 0.795 466 K HN 0.620 nan 8.250 nan 0.000 0.477 467 Y N -0.488 119.664 120.300 -0.247 0.000 2.545 467 Y HA 0.313 4.863 4.550 -0.000 0.000 0.348 467 Y C -1.240 174.506 175.900 -0.256 0.000 1.002 467 Y CA -1.323 56.635 58.100 -0.236 0.000 1.039 467 Y CB 1.820 40.123 38.460 -0.261 0.000 1.271 467 Y HN -0.004 nan 8.280 nan 0.000 0.467 468 Y N -0.224 119.993 120.300 -0.138 0.000 2.362 468 Y HA 0.451 5.001 4.550 -0.000 0.000 0.326 468 Y C -1.126 174.701 175.900 -0.122 0.000 1.083 468 Y CA -1.335 56.503 58.100 -0.437 0.000 1.073 468 Y CB 1.164 38.831 38.460 -1.323 0.000 1.211 468 Y HN 0.617 nan 8.280 nan 0.000 0.433 469 Q N 5.071 124.943 119.800 0.120 0.000 2.274 469 Q HA 0.528 4.868 4.340 -0.000 0.000 0.256 469 Q C -1.576 174.453 176.000 0.049 0.000 0.927 469 Q CA -0.562 55.292 55.803 0.084 0.000 0.939 469 Q CB 1.155 29.930 28.738 0.063 0.000 1.201 469 Q HN 0.993 nan 8.270 nan 0.000 0.426 470 L N 4.051 125.290 121.223 0.027 0.000 2.334 470 L HA 0.541 4.881 4.340 -0.000 0.000 0.275 470 L C -0.166 176.737 176.870 0.055 0.000 1.036 470 L CA -0.659 54.213 54.840 0.055 0.000 0.807 470 L CB 1.469 43.538 42.059 0.015 0.000 1.231 470 L HN 0.633 nan 8.230 nan 0.000 0.438 471 R N 1.798 122.316 120.500 0.030 0.000 2.407 471 R HA 0.273 4.613 4.340 -0.000 0.000 0.298 471 R C -1.083 175.036 176.300 -0.300 0.000 1.166 471 R CA -0.480 55.472 56.100 -0.246 0.000 1.006 471 R CB 1.424 31.657 30.300 -0.111 0.000 1.145 471 R HN 0.598 nan 8.270 nan 0.000 0.538 472 c N 2.612 120.912 118.600 -0.499 0.000 2.499 472 c HA 0.297 4.867 4.570 -0.000 0.000 0.386 472 c C 1.469 175.312 174.090 -0.412 0.000 1.293 472 c CA -0.148 55.791 56.329 -0.650 0.000 1.884 472 c CB -0.120 41.966 42.510 -0.707 0.000 2.509 472 c HN 0.953 nan 8.230 nan 0.000 0.566 473 S N 3.743 119.299 115.700 -0.240 0.000 2.730 473 S HA 0.608 5.078 4.470 -0.000 0.000 0.244 473 S C 0.338 174.887 174.600 -0.085 0.000 1.022 473 S CA 0.204 58.325 58.200 -0.131 0.000 1.014 473 S CB 0.071 63.229 63.200 -0.071 0.000 0.963 473 S HN 1.918 nan 8.310 nan 0.000 0.540 474 G N 1.897 110.637 108.800 -0.099 0.000 2.339 474 G HA2 0.356 4.316 3.960 -0.000 0.000 0.302 474 G HA3 0.356 4.316 3.960 -0.000 0.000 0.302 474 G C -2.971 171.917 174.900 -0.021 0.000 1.425 474 G CA -0.461 44.624 45.100 -0.024 0.000 0.899 474 G HN -0.131 nan 8.290 nan 0.000 0.619 475 P HA 0.086 nan 4.420 nan 0.000 0.221 475 P C 1.357 178.706 177.300 0.080 0.000 1.150 475 P CA 1.468 64.604 63.100 0.060 0.000 0.800 475 P CB 0.258 31.988 31.700 0.050 0.000 0.787 476 G N 0.520 109.299 108.800 -0.035 0.000 2.588 476 G HA2 0.345 4.305 3.960 -0.000 0.000 0.278 476 G HA3 0.345 4.305 3.960 -0.000 0.000 0.278 476 G C -0.118 174.560 174.900 -0.370 0.000 1.307 476 G CA -0.695 44.317 45.100 -0.146 0.000 1.016 476 G HN 0.053 nan 8.290 nan 0.000 0.503 477 L N 1.009 121.899 121.223 -0.555 0.000 2.485 477 L HA 0.125 4.465 4.340 -0.000 0.000 0.275 477 L C -1.824 174.831 176.870 -0.359 0.000 1.207 477 L CA -1.228 53.188 54.840 -0.706 0.000 0.855 477 L CB 0.471 42.218 42.059 -0.519 0.000 1.114 477 L HN 0.247 nan 8.230 nan 0.000 0.485 478 P HA -0.025 nan 4.420 nan 0.000 0.263 478 P C -0.905 176.302 177.300 -0.156 0.000 1.175 478 P CA 0.164 63.156 63.100 -0.180 0.000 0.761 478 P CB 0.462 32.163 31.700 0.001 0.000 0.794 479 L N 5.430 126.479 121.223 -0.291 0.000 2.441 479 L HA 0.441 4.781 4.340 -0.000 0.000 0.270 479 L C -1.811 174.889 176.870 -0.283 0.000 0.973 479 L CA -0.705 54.032 54.840 -0.172 0.000 0.842 479 L CB 0.743 42.719 42.059 -0.138 0.000 1.239 479 L HN 0.194 nan 8.230 nan 0.000 0.406 480 Y N 3.044 123.304 120.300 -0.067 0.000 2.328 480 Y HA 0.740 5.290 4.550 -0.000 0.000 0.337 480 Y C 0.810 176.617 175.900 -0.154 0.000 1.008 480 Y CA -0.339 57.705 58.100 -0.092 0.000 1.129 480 Y CB 1.758 40.154 38.460 -0.107 0.000 1.185 480 Y HN 0.702 nan 8.280 nan 0.000 0.476 481 T N 1.271 115.832 114.554 0.012 0.000 2.907 481 T HA 0.731 5.081 4.350 -0.000 0.000 0.290 481 T C -1.199 173.482 174.700 -0.032 0.000 1.066 481 T CA -1.017 61.059 62.100 -0.039 0.000 1.012 481 T CB 1.886 70.790 68.868 0.059 0.000 1.184 481 T HN 0.549 nan 8.240 nan 0.000 0.522 482 L N 1.159 122.267 121.223 -0.191 0.000 2.362 482 L HA 0.679 5.019 4.340 -0.000 0.000 0.271 482 L C -1.261 175.401 176.870 -0.347 0.000 1.002 482 L CA -0.794 53.971 54.840 -0.125 0.000 0.818 482 L CB 1.799 43.756 42.059 -0.170 0.000 1.298 482 L HN 0.886 nan 8.230 nan 0.000 0.420 483 H N 0.282 119.107 119.070 -0.409 0.000 2.949 483 H HA 0.510 5.066 4.556 -0.000 0.000 0.356 483 H C -0.729 174.378 175.328 -0.368 0.000 1.212 483 H CA -0.847 54.866 56.048 -0.559 0.000 1.136 483 H CB 1.958 31.022 29.762 -1.163 0.000 1.869 483 H HN 0.414 nan 8.280 nan 0.000 0.556 484 S N -0.287 115.352 115.700 -0.102 0.000 2.498 484 S HA 0.302 4.772 4.470 -0.000 0.000 0.317 484 S C 0.362 174.987 174.600 0.043 0.000 1.090 484 S CA -0.632 57.571 58.200 0.005 0.000 1.089 484 S CB 1.547 64.766 63.200 0.032 0.000 0.997 484 S HN 0.557 nan 8.310 nan 0.000 0.470 485 S N 2.793 118.551 115.700 0.096 0.000 2.359 485 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 485 S C 2.042 176.690 174.600 0.081 0.000 1.039 485 S CA 1.321 59.651 58.200 0.215 0.000 1.042 485 S CB -0.818 62.438 63.200 0.094 0.000 0.915 485 S HN 0.804 nan 8.310 nan 0.000 0.439 486 V N 2.538 122.442 119.914 -0.017 0.000 2.243 486 V HA -0.370 3.750 4.120 -0.000 0.000 0.258 486 V C 0.965 177.059 176.094 -0.001 0.000 1.073 486 V CA 2.677 64.966 62.300 -0.018 0.000 1.069 486 V CB -0.554 31.242 31.823 -0.044 0.000 0.681 486 V HN 0.665 nan 8.190 nan 0.000 0.457 487 N N -1.313 117.391 118.700 0.007 0.000 2.241 487 N HA 0.167 4.907 4.740 -0.000 0.000 0.238 487 N C -0.514 175.009 175.510 0.021 0.000 1.244 487 N CA 0.441 53.494 53.050 0.005 0.000 0.880 487 N CB 0.543 39.032 38.487 0.003 0.000 1.179 487 N HN 0.519 nan 8.380 nan 0.000 0.513 488 D N 1.148 121.591 120.400 0.072 0.000 2.837 488 D HA -0.167 4.473 4.640 -0.000 0.000 0.230 488 D C -0.380 175.964 176.300 0.073 0.000 1.152 488 D CA 1.165 55.252 54.000 0.146 0.000 0.736 488 D CB -0.854 40.014 40.800 0.113 0.000 1.084 488 D HN 0.431 nan 8.370 nan 0.000 0.429 489 K N 0.341 120.751 120.400 0.018 0.000 2.326 489 K HA 0.367 4.687 4.320 -0.000 0.000 0.275 489 K C 1.102 177.641 176.600 -0.101 0.000 1.018 489 K CA 0.136 56.407 56.287 -0.027 0.000 0.962 489 K CB 0.853 33.336 32.500 -0.028 0.000 0.953 489 K HN 0.114 nan 8.250 nan 0.000 0.475 490 G N 2.779 111.483 108.800 -0.160 0.000 2.351 490 G HA2 0.187 4.147 3.960 -0.000 0.000 0.287 490 G HA3 0.187 4.147 3.960 -0.000 0.000 0.287 490 G C 0.766 175.486 174.900 -0.300 0.000 1.159 490 G CA -0.454 44.410 45.100 -0.394 0.000 0.929 490 G HN 0.571 nan 8.290 nan 0.000 0.435 491 L N 1.756 122.775 121.223 -0.339 0.000 2.095 491 L HA 0.247 4.587 4.340 -0.000 0.000 0.204 491 L C 1.648 178.404 176.870 -0.190 0.000 1.080 491 L CA 0.911 55.630 54.840 -0.201 0.000 0.759 491 L CB -0.254 41.707 42.059 -0.164 0.000 0.914 491 L HN 0.802 nan 8.230 nan 0.000 0.439 492 R N -2.883 117.464 120.500 -0.255 0.000 3.110 492 R HA 0.258 4.598 4.340 -0.000 0.000 0.287 492 R C -1.685 174.485 176.300 -0.217 0.000 0.969 492 R CA -0.993 54.990 56.100 -0.194 0.000 0.828 492 R CB 0.775 30.992 30.300 -0.139 0.000 1.354 492 R HN -0.311 nan 8.270 nan 0.000 0.524 493 V N 2.541 122.356 119.914 -0.164 0.000 2.364 493 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 493 V C 1.334 177.312 176.094 -0.192 0.000 1.036 493 V CA -0.506 61.703 62.300 -0.152 0.000 0.880 493 V CB 1.144 32.911 31.823 -0.093 0.000 0.991 493 V HN 0.604 nan 8.190 nan 0.000 0.460 494 L N 2.843 123.888 121.223 -0.296 0.000 2.240 494 L HA 0.208 4.548 4.340 -0.000 0.000 0.211 494 L C 0.709 177.437 176.870 -0.236 0.000 1.106 494 L CA 0.797 55.318 54.840 -0.531 0.000 0.793 494 L CB 0.148 41.477 42.059 -1.218 0.000 0.927 494 L HN 0.718 nan 8.230 nan 0.000 0.446 495 E N -0.113 120.056 120.200 -0.052 0.000 2.683 495 E HA 0.030 4.380 4.350 -0.000 0.000 0.339 495 E C -1.126 175.546 176.600 0.120 0.000 0.921 495 E CA -0.352 56.094 56.400 0.078 0.000 0.786 495 E CB 0.564 30.346 29.700 0.138 0.000 1.363 495 E HN 0.200 nan 8.360 nan 0.000 0.401 496 D N 2.958 123.391 120.400 0.054 0.000 2.395 496 D HA 0.192 4.832 4.640 -0.000 0.000 0.213 496 D C -0.151 176.156 176.300 0.010 0.000 1.110 496 D CA -0.235 53.780 54.000 0.024 0.000 0.835 496 D CB 0.066 40.860 40.800 -0.012 0.000 0.965 496 D HN 0.405 nan 8.370 nan 0.000 0.505 497 N N 0.170 118.894 118.700 0.039 0.000 2.725 497 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 497 N C 0.845 176.355 175.510 -0.000 0.000 1.103 497 N CA 0.910 53.973 53.050 0.021 0.000 0.707 497 N CB -1.389 37.093 38.487 -0.008 0.000 1.043 497 N HN 0.458 nan 8.380 nan 0.000 0.553 498 S N -0.751 114.953 115.700 0.006 0.000 2.374 498 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 498 S C 2.129 176.739 174.600 0.015 0.000 1.037 498 S CA 1.290 59.491 58.200 0.002 0.000 1.024 498 S CB -0.301 62.903 63.200 0.007 0.000 0.861 498 S HN 0.582 nan 8.310 nan 0.000 0.456 499 A N 2.385 125.223 122.820 0.031 0.000 1.851 499 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 499 A C 2.266 179.886 177.584 0.060 0.000 1.195 499 A CA 1.822 53.887 52.037 0.047 0.000 0.622 499 A CB -1.072 17.960 19.000 0.054 0.000 0.831 499 A HN 0.499 nan 8.150 nan 0.000 0.444 500 L N 0.348 121.608 121.223 0.062 0.000 2.042 500 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 500 L C 1.960 178.853 176.870 0.037 0.000 1.076 500 L CA 2.976 57.866 54.840 0.082 0.000 0.749 500 L CB -0.785 41.321 42.059 0.079 0.000 0.893 500 L HN 0.529 nan 8.230 nan 0.000 0.432 501 D N -0.708 119.689 120.400 -0.006 0.000 2.092 501 D HA -0.227 4.412 4.640 -0.000 0.000 0.193 501 D C 2.021 178.318 176.300 -0.006 0.000 0.994 501 D CA 1.431 55.412 54.000 -0.030 0.000 0.828 501 D CB 0.030 40.802 40.800 -0.047 0.000 0.963 501 D HN 0.146 nan 8.370 nan 0.000 0.450 502 K N 0.005 120.412 120.400 0.013 0.000 2.059 502 K HA -0.209 4.111 4.320 -0.000 0.000 0.212 502 K C 2.293 178.916 176.600 0.039 0.000 1.050 502 K CA 1.034 57.336 56.287 0.025 0.000 0.927 502 K CB -0.771 31.748 32.500 0.033 0.000 0.714 502 K HN 0.375 nan 8.250 nan 0.000 0.447 503 M N 0.525 120.164 119.600 0.065 0.000 2.065 503 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 503 M C 2.016 178.333 176.300 0.029 0.000 1.071 503 M CA 1.572 56.938 55.300 0.109 0.000 1.109 503 M CB -0.204 32.523 32.600 0.211 0.000 1.313 503 M HN 0.029 nan 8.290 nan 0.000 0.408 504 L N 0.279 121.467 121.223 -0.059 0.000 2.551 504 L HA -0.224 4.116 4.340 -0.000 0.000 0.230 504 L C 2.353 179.179 176.870 -0.073 0.000 1.163 504 L CA 0.944 55.690 54.840 -0.157 0.000 0.826 504 L CB -0.799 41.182 42.059 -0.131 0.000 0.943 504 L HN 0.565 nan 8.230 nan 0.000 0.452 505 Q N -1.532 118.254 119.800 -0.023 0.000 2.432 505 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 505 Q C 1.040 177.048 176.000 0.014 0.000 0.945 505 Q CA 0.501 56.302 55.803 -0.004 0.000 0.924 505 Q CB -0.107 28.634 28.738 0.005 0.000 1.016 505 Q HN 0.431 nan 8.270 nan 0.000 0.503 506 N N 1.047 119.761 118.700 0.023 0.000 2.383 506 N HA 0.073 4.813 4.740 -0.000 0.000 0.192 506 N C -0.446 175.097 175.510 0.055 0.000 1.141 506 N CA 0.226 53.306 53.050 0.050 0.000 0.851 506 N CB 1.405 39.938 38.487 0.078 0.000 0.976 506 N HN 0.161 nan 8.380 nan 0.000 0.465 507 V N 0.399 120.324 119.914 0.020 0.000 2.876 507 V HA 0.249 4.369 4.120 -0.000 0.000 0.312 507 V C -1.016 175.089 176.094 0.019 0.000 1.085 507 V CA -0.827 61.493 62.300 0.032 0.000 0.945 507 V CB 2.423 34.248 31.823 0.003 0.000 1.017 507 V HN -0.036 nan 8.190 nan 0.000 0.428 508 Q N 5.884 125.712 119.800 0.046 0.000 2.513 508 Q HA 0.307 4.647 4.340 -0.000 0.000 0.227 508 Q C -0.399 175.589 176.000 -0.019 0.000 1.257 508 Q CA -0.173 55.637 55.803 0.012 0.000 0.915 508 Q CB 0.526 29.285 28.738 0.035 0.000 1.507 508 Q HN 0.599 nan 8.270 nan 0.000 0.543 509 M N 3.643 123.212 119.600 -0.052 0.000 2.241 509 M HA 0.359 4.839 4.480 -0.000 0.000 0.335 509 M C -1.985 174.249 176.300 -0.111 0.000 1.122 509 M CA -2.239 53.014 55.300 -0.079 0.000 1.164 509 M CB -0.084 32.468 32.600 -0.081 0.000 1.459 509 M HN 0.296 nan 8.290 nan 0.000 0.461 510 P HA 0.339 nan 4.420 nan 0.000 0.283 510 P C -1.136 176.072 177.300 -0.153 0.000 1.271 510 P CA -0.459 62.548 63.100 -0.155 0.000 0.841 510 P CB 1.010 32.609 31.700 -0.168 0.000 1.122 511 S N 0.069 115.670 115.700 -0.166 0.000 2.638 511 S HA 0.555 5.025 4.470 -0.000 0.000 0.298 511 S C -0.358 174.141 174.600 -0.167 0.000 1.111 511 S CA -0.831 57.286 58.200 -0.138 0.000 1.027 511 S CB 1.785 64.917 63.200 -0.114 0.000 1.064 511 S HN 0.497 nan 8.310 nan 0.000 0.525 512 K N 0.635 120.962 120.400 -0.122 0.000 2.221 512 K HA 0.402 4.722 4.320 -0.000 0.000 0.258 512 K C -1.221 175.326 176.600 -0.087 0.000 0.944 512 K CA -0.570 55.648 56.287 -0.115 0.000 0.823 512 K CB 1.167 33.614 32.500 -0.088 0.000 1.113 512 K HN 0.754 nan 8.250 nan 0.000 0.431 513 K N 6.221 126.567 120.400 -0.090 0.000 2.559 513 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 513 K C -1.288 175.279 176.600 -0.054 0.000 0.958 513 K CA -0.597 55.653 56.287 -0.062 0.000 0.901 513 K CB 0.944 33.396 32.500 -0.080 0.000 1.124 513 K HN 0.600 nan 8.250 nan 0.000 0.437 514 L N 4.243 125.455 121.223 -0.019 0.000 2.276 514 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 514 L C -0.862 176.007 176.870 -0.002 0.000 1.061 514 L CA 0.317 55.169 54.840 0.018 0.000 0.807 514 L CB 0.970 43.101 42.059 0.121 0.000 1.177 514 L HN 0.872 nan 8.230 nan 0.000 0.429 515 D N 2.938 123.177 120.400 -0.269 0.000 3.145 515 D HA 0.528 5.168 4.640 -0.000 0.000 0.345 515 D C -1.545 174.410 176.300 -0.575 0.000 1.391 515 D CA 0.061 53.810 54.000 -0.417 0.000 0.930 515 D CB 1.560 42.043 40.800 -0.527 0.000 1.451 515 D HN 0.263 nan 8.370 nan 0.000 0.555 516 F N -0.324 119.273 119.950 -0.588 0.000 2.686 516 F HA 0.680 5.207 4.527 -0.000 0.000 0.311 516 F C -1.072 174.781 175.800 0.089 0.000 1.128 516 F CA -1.043 56.772 58.000 -0.308 0.000 0.946 516 F CB 0.748 39.058 39.000 -1.150 0.000 1.336 516 F HN 0.354 nan 8.300 nan 0.000 0.457 517 I N -0.361 120.427 120.570 0.363 0.000 3.436 517 I HA 0.741 4.911 4.170 -0.000 0.000 0.300 517 I C -1.380 174.966 176.117 0.383 0.000 1.131 517 I CA -1.449 59.997 61.300 0.244 0.000 1.001 517 I CB 2.527 40.669 38.000 0.236 0.000 1.305 517 I HN 0.643 nan 8.210 nan 0.000 0.494 518 I N 3.035 123.768 120.570 0.272 0.000 2.439 518 I HA 0.374 4.544 4.170 -0.000 0.000 0.283 518 I C -0.864 175.401 176.117 0.247 0.000 1.023 518 I CA -0.443 61.013 61.300 0.261 0.000 1.100 518 I CB 1.777 39.886 38.000 0.181 0.000 1.238 518 I HN 0.352 nan 8.210 nan 0.000 0.445 519 L N 6.735 128.181 121.223 0.371 0.000 2.295 519 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 519 L C 0.414 177.427 176.870 0.238 0.000 1.035 519 L CA -0.889 54.129 54.840 0.296 0.000 0.806 519 L CB 1.080 43.336 42.059 0.329 0.000 1.214 519 L HN 0.758 nan 8.230 nan 0.000 0.426 520 N N 4.399 123.179 118.700 0.133 0.000 2.903 520 N HA -0.296 4.444 4.740 -0.000 0.000 0.308 520 N C 0.083 175.646 175.510 0.090 0.000 1.106 520 N CA 0.935 54.039 53.050 0.090 0.000 0.793 520 N CB -0.199 38.326 38.487 0.063 0.000 0.996 520 N HN 0.883 nan 8.380 nan 0.000 0.601 521 E N -2.615 117.627 120.200 0.069 0.000 4.666 521 E HA -0.183 4.167 4.350 -0.000 0.000 0.159 521 E C -0.141 176.468 176.600 0.016 0.000 1.083 521 E CA 2.089 58.512 56.400 0.039 0.000 2.496 521 E CB -1.699 28.018 29.700 0.027 0.000 1.689 521 E HN 0.777 nan 8.360 nan 0.000 0.531 522 T N 3.162 117.727 114.554 0.019 0.000 2.922 522 T HA 0.453 4.802 4.350 -0.000 0.000 0.285 522 T C 0.311 174.884 174.700 -0.211 0.000 1.005 522 T CA -0.454 61.558 62.100 -0.147 0.000 1.061 522 T CB 1.486 70.191 68.868 -0.272 0.000 1.007 522 T HN 0.139 nan 8.240 nan 0.000 0.502 523 K N 1.833 121.995 120.400 -0.396 0.000 2.274 523 K HA 0.558 4.878 4.320 -0.000 0.000 0.262 523 K C -1.545 174.763 176.600 -0.486 0.000 0.961 523 K CA -0.644 55.475 56.287 -0.279 0.000 0.833 523 K CB 1.026 33.291 32.500 -0.390 0.000 1.102 523 K HN 0.371 nan 8.250 nan 0.000 0.436 524 F N 1.682 121.708 119.950 0.126 0.000 2.482 524 F HA 0.385 4.912 4.527 -0.000 0.000 0.331 524 F C -0.504 175.361 175.800 0.110 0.000 1.115 524 F CA -0.796 57.250 58.000 0.077 0.000 0.955 524 F CB 1.040 40.030 39.000 -0.017 0.000 1.136 524 F HN 0.505 nan 8.300 nan 0.000 0.452 525 W N 3.217 124.607 121.300 0.151 0.000 2.303 525 W HA 0.504 5.164 4.660 -0.000 0.000 0.334 525 W C -0.510 176.132 176.519 0.205 0.000 1.197 525 W CA -0.555 56.916 57.345 0.209 0.000 1.262 525 W CB 0.448 29.978 29.460 0.116 0.000 1.153 525 W HN 0.465 nan 8.180 nan 0.000 0.596 526 Y N -0.687 119.917 120.300 0.507 0.000 2.655 526 Y HA 0.690 5.240 4.550 -0.000 0.000 0.336 526 Y C -1.157 174.976 175.900 0.388 0.000 1.154 526 Y CA -1.941 56.467 58.100 0.514 0.000 1.055 526 Y CB 1.127 40.084 38.460 0.829 0.000 1.295 526 Y HN 0.566 nan 8.280 nan 0.000 0.465 527 Q N 1.713 121.788 119.800 0.458 0.000 2.379 527 Q HA 0.754 5.094 4.340 -0.000 0.000 0.278 527 Q C -1.886 174.240 176.000 0.211 0.000 1.068 527 Q CA -1.146 54.782 55.803 0.209 0.000 0.816 527 Q CB 3.351 32.165 28.738 0.126 0.000 1.387 527 Q HN 0.843 nan 8.270 nan 0.000 0.413 528 M N 2.405 122.045 119.600 0.066 0.000 2.327 528 M HA 0.451 4.931 4.480 -0.000 0.000 0.298 528 M C -1.348 174.856 176.300 -0.160 0.000 1.065 528 M CA -0.887 54.367 55.300 -0.076 0.000 0.916 528 M CB 2.188 34.689 32.600 -0.166 0.000 1.630 528 M HN 0.605 nan 8.290 nan 0.000 0.442 529 I N 5.164 125.630 120.570 -0.173 0.000 2.297 529 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 529 I C -0.427 175.506 176.117 -0.306 0.000 1.033 529 I CA -0.249 60.928 61.300 -0.205 0.000 1.253 529 I CB 0.258 38.162 38.000 -0.160 0.000 1.396 529 I HN 0.635 nan 8.210 nan 0.000 0.476 530 L N 8.211 129.200 121.223 -0.389 0.000 2.309 530 L HA 0.476 4.816 4.340 -0.000 0.000 0.282 530 L C -2.194 174.454 176.870 -0.370 0.000 1.036 530 L CA -1.848 52.644 54.840 -0.579 0.000 0.806 530 L CB 1.335 42.863 42.059 -0.885 0.000 1.220 530 L HN 0.241 nan 8.230 nan 0.000 0.429 531 P HA 0.076 nan 4.420 nan 0.000 0.270 531 P C -2.490 174.762 177.300 -0.079 0.000 1.227 531 P CA -0.714 62.329 63.100 -0.095 0.000 0.788 531 P CB -0.082 31.683 31.700 0.109 0.000 0.926 532 P HA 0.080 nan 4.420 nan 0.000 0.272 532 P C -0.564 176.595 177.300 -0.235 0.000 1.230 532 P CA 0.149 63.063 63.100 -0.310 0.000 0.788 532 P CB -0.199 31.230 31.700 -0.452 0.000 0.949 533 H N -1.998 117.124 119.070 0.086 0.000 2.690 533 H HA -0.236 4.320 4.556 -0.000 0.000 0.309 533 H C -0.036 175.373 175.328 0.136 0.000 1.138 533 H CA -0.300 55.800 56.048 0.087 0.000 1.142 533 H CB -2.315 27.488 29.762 0.067 0.000 1.410 533 H HN 0.289 nan 8.280 nan 0.000 0.409 534 F N 2.513 122.461 119.950 -0.003 0.000 2.612 534 F HA 0.081 4.608 4.527 -0.000 0.000 0.389 534 F C 0.538 176.341 175.800 0.005 0.000 1.055 534 F CA -0.365 57.593 58.000 -0.070 0.000 1.232 534 F CB 0.431 39.262 39.000 -0.282 0.000 1.044 534 F HN 0.262 nan 8.300 nan 0.000 0.560 535 D N 5.872 126.015 120.400 -0.428 0.000 2.462 535 D HA 0.142 4.782 4.640 -0.000 0.000 0.249 535 D C 0.688 176.634 176.300 -0.590 0.000 1.117 535 D CA -0.597 53.164 54.000 -0.399 0.000 0.900 535 D CB 0.683 41.433 40.800 -0.083 0.000 1.039 535 D HN 0.642 nan 8.370 nan 0.000 0.516 536 K N 1.112 121.005 120.400 -0.845 0.000 2.520 536 K HA -0.189 4.131 4.320 -0.000 0.000 0.198 536 K C 1.383 177.959 176.600 -0.040 0.000 1.045 536 K CA 1.150 57.177 56.287 -0.433 0.000 0.934 536 K CB -0.023 32.372 32.500 -0.175 0.000 0.766 536 K HN 0.175 nan 8.250 nan 0.000 0.483 537 S N 0.385 116.042 115.700 -0.072 0.000 2.421 537 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 537 S C 0.849 175.461 174.600 0.020 0.000 1.035 537 S CA -0.075 58.120 58.200 -0.009 0.000 0.953 537 S CB 0.037 63.219 63.200 -0.030 0.000 0.810 537 S HN 0.392 nan 8.310 nan 0.000 0.497 538 K N 1.097 121.513 120.400 0.026 0.000 2.149 538 K HA 0.188 4.508 4.320 -0.000 0.000 0.245 538 K C -0.803 175.859 176.600 0.102 0.000 1.024 538 K CA -0.013 56.275 56.287 0.003 0.000 0.899 538 K CB 0.382 32.832 32.500 -0.082 0.000 1.038 538 K HN 0.120 nan 8.250 nan 0.000 0.496 539 K N 2.682 123.071 120.400 -0.019 0.000 2.425 539 K HA 0.204 4.524 4.320 -0.000 0.000 0.259 539 K C -1.469 175.123 176.600 -0.013 0.000 0.978 539 K CA -0.567 55.767 56.287 0.077 0.000 0.883 539 K CB 0.955 33.459 32.500 0.007 0.000 1.110 539 K HN 0.337 nan 8.250 nan 0.000 0.436 540 Y N 3.197 123.548 120.300 0.084 0.000 2.310 540 Y HA 0.221 4.771 4.550 -0.000 0.000 0.326 540 Y C -1.858 173.984 175.900 -0.096 0.000 1.151 540 Y CA -2.651 55.464 58.100 0.026 0.000 1.195 540 Y CB 0.264 38.797 38.460 0.122 0.000 1.210 540 Y HN 0.459 nan 8.280 nan 0.000 0.483 541 P HA 0.164 nan 4.420 nan 0.000 0.272 541 P C -1.032 176.121 177.300 -0.245 0.000 1.223 541 P CA -0.222 62.575 63.100 -0.506 0.000 0.784 541 P CB 1.542 32.557 31.700 -1.143 0.000 0.923 542 L N 2.529 123.655 121.223 -0.161 0.000 2.385 542 L HA 0.510 4.850 4.340 -0.000 0.000 0.273 542 L C -1.163 175.903 176.870 0.327 0.000 0.990 542 L CA -0.967 53.934 54.840 0.102 0.000 0.821 542 L CB 1.592 43.710 42.059 0.098 0.000 1.279 542 L HN 0.253 nan 8.230 nan 0.000 0.412 543 L N 5.791 127.210 121.223 0.326 0.000 2.298 543 L HA 0.422 4.761 4.340 -0.000 0.000 0.284 543 L C -1.143 175.942 176.870 0.360 0.000 1.013 543 L CA -0.878 54.195 54.840 0.388 0.000 0.824 543 L CB 1.693 43.927 42.059 0.292 0.000 1.221 543 L HN 0.633 nan 8.230 nan 0.000 0.418 544 L N 5.403 126.882 121.223 0.427 0.000 2.283 544 L HA 0.298 4.638 4.340 -0.000 0.000 0.287 544 L C -0.117 176.972 176.870 0.365 0.000 1.073 544 L CA 0.244 55.321 54.840 0.395 0.000 0.822 544 L CB 0.681 43.009 42.059 0.450 0.000 1.186 544 L HN 0.487 nan 8.230 nan 0.000 0.436 545 D N 4.237 124.823 120.400 0.311 0.000 2.280 545 D HA 0.321 4.961 4.640 -0.000 0.000 0.243 545 D C -1.070 175.305 176.300 0.126 0.000 1.129 545 D CA 0.087 54.193 54.000 0.176 0.000 0.848 545 D CB 1.512 42.454 40.800 0.235 0.000 1.107 545 D HN 0.380 nan 8.370 nan 0.000 0.471 546 V N 5.060 124.982 119.914 0.013 0.000 3.007 546 V HA 0.455 4.575 4.120 -0.000 0.000 0.311 546 V C -1.346 174.835 176.094 0.146 0.000 1.120 546 V CA -0.440 61.931 62.300 0.119 0.000 0.980 546 V CB 1.989 33.891 31.823 0.132 0.000 1.033 546 V HN 0.647 nan 8.190 nan 0.000 0.429 547 Y N 4.748 125.112 120.300 0.106 0.000 3.208 547 Y HA 0.617 5.167 4.550 -0.000 0.000 0.205 547 Y C 1.534 177.556 175.900 0.204 0.000 0.923 547 Y CA 1.536 59.723 58.100 0.145 0.000 1.596 547 Y CB 0.133 38.657 38.460 0.106 0.000 1.478 547 Y HN 1.541 nan 8.280 nan 0.000 0.409 548 A N 1.001 123.919 122.820 0.163 0.000 2.860 548 A HA -0.127 4.193 4.320 -0.000 0.000 0.267 548 A C 0.835 178.226 177.584 -0.321 0.000 1.421 548 A CA 0.930 52.998 52.037 0.051 0.000 0.831 548 A CB -2.350 16.740 19.000 0.149 0.000 1.041 548 A HN 0.972 nan 8.150 nan 0.000 0.623 549 G N -0.274 108.140 108.800 -0.643 0.000 2.539 549 G HA2 0.523 4.483 3.960 -0.000 0.000 0.258 549 G HA3 0.523 4.483 3.960 -0.000 0.000 0.258 549 G C -1.785 172.831 174.900 -0.473 0.000 1.202 549 G CA -0.780 43.592 45.100 -1.215 0.000 0.851 549 G HN 0.422 nan 8.290 nan 0.000 0.556 550 P HA 0.007 nan 4.420 nan 0.000 0.258 550 P C 0.537 177.711 177.300 -0.211 0.000 1.187 550 P CA 0.376 63.250 63.100 -0.376 0.000 0.767 550 P CB 0.512 31.695 31.700 -0.861 0.000 0.770 551 C N 2.753 122.000 119.300 -0.090 0.000 4.623 551 C HA -0.116 4.344 4.460 -0.000 0.000 0.294 551 C C 0.734 175.725 174.990 0.002 0.000 1.274 551 C CA 0.864 59.787 59.018 -0.158 0.000 2.099 551 C CB -2.589 24.931 27.740 -0.367 0.000 1.221 551 C HN 0.780 nan 8.230 nan 0.000 0.767 552 S N -0.023 115.752 115.700 0.125 0.000 2.722 552 S HA 0.737 5.207 4.470 -0.000 0.000 0.292 552 S C -0.677 174.092 174.600 0.282 0.000 1.135 552 S CA -0.185 58.184 58.200 0.281 0.000 1.003 552 S CB 1.828 65.264 63.200 0.393 0.000 1.067 552 S HN 0.829 nan 8.310 nan 0.000 0.546 553 Q N -0.143 119.837 119.800 0.300 0.000 2.483 553 Q HA 0.320 4.660 4.340 -0.000 0.000 0.245 553 Q C -0.667 175.444 176.000 0.185 0.000 0.902 553 Q CA -0.519 55.443 55.803 0.264 0.000 0.767 553 Q CB 0.875 29.814 28.738 0.335 0.000 1.341 553 Q HN 0.627 nan 8.270 nan 0.000 0.453 554 K N 0.611 121.123 120.400 0.187 0.000 2.367 554 K HA 0.285 4.605 4.320 -0.000 0.000 0.194 554 K C -0.106 176.588 176.600 0.156 0.000 1.027 554 K CA 0.334 56.720 56.287 0.164 0.000 1.075 554 K CB 1.184 33.810 32.500 0.210 0.000 0.845 554 K HN 0.455 nan 8.250 nan 0.000 0.529 555 A N 2.801 125.722 122.820 0.168 0.000 2.394 555 A HA 0.380 4.700 4.320 -0.000 0.000 0.333 555 A C -0.790 176.852 177.584 0.097 0.000 1.397 555 A CA -0.646 51.490 52.037 0.166 0.000 0.884 555 A CB 0.005 19.159 19.000 0.256 0.000 1.147 555 A HN 0.219 nan 8.150 nan 0.000 0.505 556 D N -0.163 120.269 120.400 0.054 0.000 2.781 556 D HA 0.504 5.144 4.640 -0.000 0.000 0.295 556 D C 0.485 176.788 176.300 0.005 0.000 1.143 556 D CA 0.241 54.258 54.000 0.028 0.000 1.076 556 D CB 0.399 41.209 40.800 0.017 0.000 1.444 556 D HN 0.115 nan 8.370 nan 0.000 0.567 557 T N -2.466 112.101 114.554 0.022 0.000 3.176 557 T HA 0.329 4.679 4.350 -0.000 0.000 0.263 557 T C 0.235 174.897 174.700 -0.064 0.000 1.021 557 T CA -0.450 61.661 62.100 0.018 0.000 0.905 557 T CB -0.691 68.231 68.868 0.090 0.000 1.057 557 T HN 0.244 nan 8.240 nan 0.000 0.558 558 V N 2.688 122.466 119.914 -0.226 0.000 2.555 558 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 558 V C 0.117 176.149 176.094 -0.104 0.000 1.044 558 V CA -1.040 61.093 62.300 -0.280 0.000 1.026 558 V CB 0.041 31.574 31.823 -0.483 0.000 0.981 558 V HN 0.597 nan 8.190 nan 0.000 0.480 559 F N 6.879 126.733 119.950 -0.160 0.000 2.472 559 F HA 0.460 4.987 4.527 -0.000 0.000 0.364 559 F C 0.586 176.326 175.800 -0.099 0.000 1.090 559 F CA 0.040 57.971 58.000 -0.115 0.000 1.188 559 F CB 0.056 38.997 39.000 -0.099 0.000 1.105 559 F HN 0.447 nan 8.300 nan 0.000 0.536 560 R N 5.490 125.565 120.500 -0.707 0.000 2.744 560 R HA 0.597 4.937 4.340 -0.000 0.000 0.279 560 R C -1.847 174.055 176.300 -0.664 0.000 0.977 560 R CA -1.275 54.523 56.100 -0.504 0.000 0.906 560 R CB 1.918 32.067 30.300 -0.252 0.000 1.197 560 R HN 0.484 nan 8.270 nan 0.000 0.463 561 L N 3.790 124.786 121.223 -0.378 0.000 2.433 561 L HA 0.308 4.648 4.340 -0.000 0.000 0.256 561 L C -0.901 175.913 176.870 -0.093 0.000 1.063 561 L CA -0.413 54.232 54.840 -0.325 0.000 0.922 561 L CB 0.384 42.365 42.059 -0.130 0.000 1.238 561 L HN 0.728 nan 8.230 nan 0.000 0.466 562 N N -0.443 118.136 118.700 -0.201 0.000 3.369 562 N HA 0.233 4.973 4.740 -0.000 0.000 0.362 562 N C 0.533 175.688 175.510 -0.592 0.000 1.523 562 N CA -0.730 52.100 53.050 -0.366 0.000 0.684 562 N CB -0.094 38.312 38.487 -0.134 0.000 1.796 562 N HN 0.170 nan 8.380 nan 0.000 0.641 563 W N 0.194 120.956 121.300 -0.896 0.000 2.425 563 W HA 0.255 4.915 4.660 -0.000 0.000 0.277 563 W C 1.937 178.440 176.519 -0.027 0.000 1.231 563 W CA 1.966 59.041 57.345 -0.451 0.000 1.248 563 W CB -0.873 28.496 29.460 -0.151 0.000 1.117 563 W HN 0.657 nan 8.180 nan 0.000 0.568 564 A N -0.564 122.231 122.820 -0.041 0.000 1.930 564 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 564 A C 1.961 179.443 177.584 -0.171 0.000 1.175 564 A CA 2.280 54.232 52.037 -0.142 0.000 0.627 564 A CB -1.224 17.761 19.000 -0.026 0.000 0.815 564 A HN 0.246 nan 8.150 nan 0.000 0.443 565 T N -0.955 113.514 114.554 -0.142 0.000 2.684 565 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 565 T C 1.820 176.545 174.700 0.042 0.000 1.036 565 T CA 1.850 63.852 62.100 -0.164 0.000 1.148 565 T CB -0.524 68.097 68.868 -0.413 0.000 0.863 565 T HN 0.663 nan 8.240 nan 0.000 0.436 566 Y N 2.051 122.444 120.300 0.154 0.000 2.145 566 Y HA -0.036 4.514 4.550 -0.000 0.000 0.286 566 Y C 1.971 177.858 175.900 -0.021 0.000 1.145 566 Y CA 0.935 59.146 58.100 0.185 0.000 1.148 566 Y CB -0.785 37.775 38.460 0.166 0.000 0.981 566 Y HN 0.132 nan 8.280 nan 0.000 0.507 567 L N 0.034 120.784 121.223 -0.787 0.000 2.083 567 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 567 L C 2.762 179.373 176.870 -0.432 0.000 1.083 567 L CA 1.187 55.529 54.840 -0.831 0.000 0.752 567 L CB -0.939 40.684 42.059 -0.726 0.000 0.899 567 L HN 0.421 nan 8.230 nan 0.000 0.433 568 A N -0.917 121.733 122.820 -0.283 0.000 1.843 568 A HA -0.177 4.143 4.320 -0.000 0.000 0.213 568 A C 2.501 180.012 177.584 -0.122 0.000 1.202 568 A CA 1.541 53.472 52.037 -0.177 0.000 0.607 568 A CB -0.803 18.088 19.000 -0.180 0.000 0.847 568 A HN 0.315 nan 8.150 nan 0.000 0.445 569 S N -0.973 114.671 115.700 -0.094 0.000 2.359 569 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 569 S C 2.054 176.657 174.600 0.005 0.000 1.038 569 S CA 2.669 60.860 58.200 -0.016 0.000 1.051 569 S CB -0.640 62.614 63.200 0.089 0.000 0.944 569 S HN 0.587 nan 8.310 nan 0.000 0.433 570 T N 1.605 116.145 114.554 -0.024 0.000 2.818 570 T HA 0.110 4.460 4.350 -0.000 0.000 0.246 570 T C 1.530 176.197 174.700 -0.055 0.000 1.036 570 T CA 0.921 63.024 62.100 0.004 0.000 1.160 570 T CB -0.320 68.615 68.868 0.111 0.000 0.869 570 T HN 0.370 nan 8.240 nan 0.000 0.419 571 E N 1.597 121.675 120.200 -0.203 0.000 2.511 571 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 571 E C -0.087 176.483 176.600 -0.049 0.000 1.066 571 E CA -0.027 56.295 56.400 -0.131 0.000 0.871 571 E CB -0.816 28.745 29.700 -0.232 0.000 0.863 571 E HN 0.551 nan 8.360 nan 0.000 0.520 572 N N 0.750 119.436 118.700 -0.024 0.000 2.686 572 N HA -0.206 4.534 4.740 -0.000 0.000 0.261 572 N C -0.837 174.752 175.510 0.131 0.000 1.001 572 N CA 0.386 53.490 53.050 0.089 0.000 0.764 572 N CB -1.200 37.361 38.487 0.124 0.000 0.898 572 N HN 0.263 nan 8.380 nan 0.000 0.544 573 I N 0.370 120.961 120.570 0.035 0.000 2.603 573 I HA 0.411 4.581 4.170 -0.000 0.000 0.300 573 I C 0.446 176.560 176.117 -0.005 0.000 1.017 573 I CA -1.009 60.325 61.300 0.056 0.000 1.098 573 I CB 1.694 39.729 38.000 0.059 0.000 1.279 573 I HN 0.030 nan 8.210 nan 0.000 0.437 574 I N 5.683 126.255 120.570 0.002 0.000 2.301 574 I HA 0.205 4.375 4.170 -0.000 0.000 0.292 574 I C -0.448 175.637 176.117 -0.053 0.000 1.046 574 I CA -0.569 60.662 61.300 -0.115 0.000 1.282 574 I CB 1.083 38.994 38.000 -0.149 0.000 1.409 574 I HN 0.174 nan 8.210 nan 0.000 0.484 575 V N 6.618 126.486 119.914 -0.077 0.000 2.364 575 V HA 0.604 4.724 4.120 -0.000 0.000 0.272 575 V C 0.461 176.555 176.094 0.001 0.000 1.036 575 V CA -0.312 61.993 62.300 0.009 0.000 0.880 575 V CB 1.060 32.886 31.823 0.005 0.000 0.991 575 V HN 0.836 nan 8.190 nan 0.000 0.460 576 A N 4.155 127.006 122.820 0.052 0.000 2.380 576 A HA 0.921 5.241 4.320 -0.000 0.000 0.315 576 A C -0.289 177.433 177.584 0.230 0.000 1.101 576 A CA -0.515 51.552 52.037 0.049 0.000 0.771 576 A CB 1.931 20.782 19.000 -0.248 0.000 1.287 576 A HN 0.649 nan 8.150 nan 0.000 0.436 577 S N -0.117 115.772 115.700 0.314 0.000 2.548 577 S HA 0.787 5.257 4.470 -0.000 0.000 0.286 577 S C -1.468 173.487 174.600 0.591 0.000 1.098 577 S CA -0.284 58.151 58.200 0.392 0.000 0.930 577 S CB 1.283 64.652 63.200 0.281 0.000 1.070 577 S HN 0.716 nan 8.310 nan 0.000 0.480 578 F N 1.677 121.860 119.950 0.388 0.000 2.556 578 F HA 0.481 5.008 4.527 -0.000 0.000 0.314 578 F C -1.381 174.621 175.800 0.337 0.000 1.106 578 F CA -0.738 57.514 58.000 0.420 0.000 0.911 578 F CB 1.556 40.767 39.000 0.353 0.000 1.190 578 F HN 0.380 nan 8.300 nan 0.000 0.448 579 D N 4.314 124.551 120.400 -0.271 0.000 2.473 579 D HA 0.359 4.999 4.640 -0.000 0.000 0.226 579 D C 0.306 176.428 176.300 -0.297 0.000 1.089 579 D CA 0.099 54.037 54.000 -0.104 0.000 0.883 579 D CB 1.494 42.342 40.800 0.081 0.000 1.029 579 D HN 0.766 nan 8.370 nan 0.000 0.517 580 G N 1.322 110.084 108.800 -0.063 0.000 2.773 580 G HA2 0.267 4.227 3.960 -0.000 0.000 0.186 580 G HA3 0.267 4.227 3.960 -0.000 0.000 0.186 580 G C 0.108 175.079 174.900 0.120 0.000 1.411 580 G CA -0.561 44.537 45.100 -0.003 0.000 1.054 580 G HN 0.231 nan 8.290 nan 0.000 0.579 581 R N -0.585 119.947 120.500 0.053 0.000 2.538 581 R HA 0.410 4.750 4.340 -0.000 0.000 0.282 581 R C 1.217 177.614 176.300 0.163 0.000 1.009 581 R CA 1.843 58.030 56.100 0.145 0.000 1.063 581 R CB 0.533 30.902 30.300 0.115 0.000 0.945 581 R HN 1.177 nan 8.270 nan 0.000 0.414 582 G N 1.162 110.052 108.800 0.150 0.000 2.284 582 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 582 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 582 G C 0.025 174.969 174.900 0.073 0.000 1.009 582 G CA 0.010 45.182 45.100 0.120 0.000 0.625 582 G HN 0.630 nan 8.290 nan 0.000 0.501 583 S N 1.317 117.071 115.700 0.091 0.000 2.561 583 S HA 0.451 4.921 4.470 -0.000 0.000 0.294 583 S C 1.032 175.623 174.600 -0.015 0.000 1.294 583 S CA 0.520 58.764 58.200 0.074 0.000 1.055 583 S CB 1.078 64.356 63.200 0.130 0.000 0.819 583 S HN 1.343 nan 8.310 nan 0.000 0.503 584 G N 0.246 108.988 108.800 -0.098 0.000 2.613 584 G HA2 0.501 4.461 3.960 -0.000 0.000 0.303 584 G HA3 0.501 4.461 3.960 -0.000 0.000 0.303 584 G C -0.817 173.904 174.900 -0.298 0.000 1.312 584 G CA -0.813 44.064 45.100 -0.372 0.000 1.036 584 G HN 0.788 nan 8.290 nan 0.000 0.513 585 Y N -2.393 117.894 120.300 -0.023 0.000 4.604 585 Y HA -0.225 4.325 4.550 -0.000 0.000 0.230 585 Y C 1.533 177.404 175.900 -0.048 0.000 1.066 585 Y CA 1.147 59.233 58.100 -0.023 0.000 1.990 585 Y CB -2.085 36.383 38.460 0.012 0.000 1.619 585 Y HN 0.540 nan 8.280 nan 0.000 0.649 586 Q N -0.165 119.602 119.800 -0.056 0.000 2.127 586 Q HA 0.497 4.837 4.340 -0.000 0.000 0.222 586 Q C 0.998 176.795 176.000 -0.339 0.000 0.794 586 Q CA 0.281 56.036 55.803 -0.080 0.000 1.010 586 Q CB 1.720 30.432 28.738 -0.043 0.000 1.170 586 Q HN 0.575 nan 8.270 nan 0.000 0.479 587 G N 0.734 109.230 108.800 -0.507 0.000 2.587 587 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 587 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 587 G C -0.674 173.842 174.900 -0.640 0.000 1.236 587 G CA -0.637 43.909 45.100 -0.924 0.000 0.820 587 G HN 0.068 nan 8.290 nan 0.000 0.645 588 D N -0.129 119.871 120.400 -0.666 0.000 2.312 588 D HA -0.023 4.616 4.640 -0.000 0.000 0.211 588 D C 2.144 178.180 176.300 -0.441 0.000 0.964 588 D CA 1.027 54.611 54.000 -0.693 0.000 0.877 588 D CB 0.127 40.426 40.800 -0.834 0.000 0.924 588 D HN 0.541 nan 8.370 nan 0.000 0.515 589 K N 0.336 120.533 120.400 -0.338 0.000 2.147 589 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 589 K C 1.861 178.391 176.600 -0.118 0.000 1.049 589 K CA 0.703 56.882 56.287 -0.181 0.000 0.936 589 K CB 0.094 32.514 32.500 -0.134 0.000 0.722 589 K HN 0.141 nan 8.250 nan 0.000 0.446 590 I N 0.130 120.617 120.570 -0.139 0.000 2.429 590 I HA -0.178 3.992 4.170 -0.000 0.000 0.247 590 I C 2.541 178.660 176.117 0.003 0.000 1.099 590 I CA 0.510 61.801 61.300 -0.014 0.000 1.422 590 I CB -0.088 37.919 38.000 0.012 0.000 1.112 590 I HN 0.217 nan 8.210 nan 0.000 0.430 591 M N 0.364 119.906 119.600 -0.097 0.000 2.099 591 M HA -0.217 4.263 4.480 -0.000 0.000 0.262 591 M C 1.715 178.093 176.300 0.130 0.000 1.067 591 M CA 2.006 57.291 55.300 -0.025 0.000 1.124 591 M CB -0.314 32.190 32.600 -0.159 0.000 1.353 591 M HN 0.246 nan 8.290 nan 0.000 0.410 592 H N -0.461 118.524 119.070 -0.143 0.000 2.566 592 H HA 0.200 4.756 4.556 -0.000 0.000 0.280 592 H C 1.627 176.962 175.328 0.011 0.000 1.042 592 H CA 0.013 55.972 56.048 -0.148 0.000 1.168 592 H CB 0.138 29.716 29.762 -0.307 0.000 1.340 592 H HN 0.534 nan 8.280 nan 0.000 0.597 593 A N 1.286 124.205 122.820 0.165 0.000 2.066 593 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 593 A C 1.920 179.685 177.584 0.301 0.000 1.157 593 A CA 0.685 52.816 52.037 0.157 0.000 0.670 593 A CB -0.450 18.597 19.000 0.078 0.000 0.804 593 A HN 0.569 nan 8.150 nan 0.000 0.453 594 I N -3.627 117.120 120.570 0.295 0.000 3.914 594 I HA 0.204 4.374 4.170 -0.000 0.000 0.333 594 I C 0.216 176.453 176.117 0.200 0.000 1.449 594 I CA -0.577 60.886 61.300 0.272 0.000 1.135 594 I CB -0.410 37.722 38.000 0.220 0.000 1.073 594 I HN 0.130 nan 8.210 nan 0.000 0.401 595 N N 3.152 121.994 118.700 0.235 0.000 2.359 595 N HA -0.074 4.666 4.740 -0.000 0.000 0.261 595 N C 0.235 175.797 175.510 0.087 0.000 1.267 595 N CA 0.451 53.631 53.050 0.218 0.000 0.864 595 N CB 0.361 38.922 38.487 0.123 0.000 1.063 595 N HN 0.430 nan 8.380 nan 0.000 0.474 596 R N 0.467 121.001 120.500 0.058 0.000 4.000 596 R HA -0.209 4.131 4.340 -0.000 0.000 0.348 596 R C -0.273 175.956 176.300 -0.118 0.000 1.204 596 R CA 0.808 56.897 56.100 -0.019 0.000 0.987 596 R CB -0.862 29.430 30.300 -0.012 0.000 1.446 596 R HN 0.532 nan 8.270 nan 0.000 0.555 597 R N 0.790 121.232 120.500 -0.096 0.000 2.647 597 R HA 0.347 4.687 4.340 -0.000 0.000 0.295 597 R C -0.733 175.592 176.300 0.042 0.000 1.267 597 R CA -0.201 55.761 56.100 -0.230 0.000 1.386 597 R CB 0.461 30.605 30.300 -0.261 0.000 1.309 597 R HN 0.082 nan 8.270 nan 0.000 0.692 598 L N -0.386 120.916 121.223 0.132 0.000 2.452 598 L HA 0.375 4.715 4.340 -0.000 0.000 0.267 598 L C 1.225 178.320 176.870 0.374 0.000 1.188 598 L CA 0.596 55.531 54.840 0.159 0.000 0.821 598 L CB 0.902 42.858 42.059 -0.172 0.000 1.102 598 L HN 0.678 nan 8.230 nan 0.000 0.470 599 G N 0.625 109.678 108.800 0.421 0.000 2.149 599 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.235 599 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.235 599 G C 0.293 175.277 174.900 0.139 0.000 1.018 599 G CA 0.489 45.786 45.100 0.329 0.000 0.728 599 G HN 0.887 nan 8.290 nan 0.000 0.508 600 T N -4.120 110.481 114.554 0.078 0.000 2.639 600 T HA 0.496 4.846 4.350 -0.000 0.000 0.156 600 T C 1.544 176.202 174.700 -0.069 0.000 0.817 600 T CA 0.854 62.891 62.100 -0.105 0.000 0.914 600 T CB 0.053 68.693 68.868 -0.379 0.000 2.461 600 T HN 0.235 nan 8.240 nan 0.000 0.367 601 F N 3.535 123.529 119.950 0.074 0.000 2.091 601 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 601 F C 2.869 178.703 175.800 0.058 0.000 1.103 601 F CA 1.722 59.752 58.000 0.051 0.000 1.228 601 F CB -0.739 38.289 39.000 0.047 0.000 0.984 601 F HN 0.596 nan 8.300 nan 0.000 0.477 602 E N 1.218 121.577 120.200 0.265 0.000 2.160 602 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 602 E C 2.291 178.992 176.600 0.168 0.000 0.991 602 E CA 1.834 58.361 56.400 0.211 0.000 0.810 602 E CB -1.229 28.599 29.700 0.212 0.000 0.742 602 E HN 0.393 nan 8.360 nan 0.000 0.466 603 V N 0.291 120.278 119.914 0.122 0.000 2.346 603 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 603 V C 2.119 178.241 176.094 0.048 0.000 1.037 603 V CA 1.846 64.175 62.300 0.049 0.000 1.029 603 V CB -0.390 31.413 31.823 -0.033 0.000 0.663 603 V HN 0.117 nan 8.190 nan 0.000 0.454 604 E N 0.206 120.444 120.200 0.065 0.000 2.097 604 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 604 E C 1.934 178.556 176.600 0.037 0.000 1.000 604 E CA 1.935 58.372 56.400 0.062 0.000 0.804 604 E CB -0.212 29.556 29.700 0.113 0.000 0.740 604 E HN 0.674 nan 8.360 nan 0.000 0.454 605 D N -0.078 120.357 120.400 0.060 0.000 2.219 605 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 605 D C 1.844 178.096 176.300 -0.080 0.000 0.970 605 D CA 0.790 54.787 54.000 -0.005 0.000 0.851 605 D CB -0.095 40.759 40.800 0.089 0.000 0.943 605 D HN 0.036 nan 8.370 nan 0.000 0.488 606 Q N -0.046 119.774 119.800 0.033 0.000 2.230 606 Q HA 0.070 4.410 4.340 -0.000 0.000 0.202 606 Q C 1.987 178.012 176.000 0.041 0.000 0.963 606 Q CA 0.636 56.466 55.803 0.046 0.000 0.866 606 Q CB 0.030 28.827 28.738 0.099 0.000 0.931 606 Q HN 0.340 nan 8.270 nan 0.000 0.452 607 I N -0.398 120.204 120.570 0.054 0.000 2.333 607 I HA -0.137 4.033 4.170 -0.000 0.000 0.246 607 I C 2.056 178.141 176.117 -0.053 0.000 1.106 607 I CA 0.657 62.047 61.300 0.150 0.000 1.411 607 I CB -0.218 37.858 38.000 0.127 0.000 1.082 607 I HN 0.144 nan 8.210 nan 0.000 0.420 608 E N 1.730 121.839 120.200 -0.151 0.000 2.097 608 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 608 E C 2.177 178.509 176.600 -0.446 0.000 1.000 608 E CA 1.857 58.107 56.400 -0.250 0.000 0.804 608 E CB -0.262 29.294 29.700 -0.239 0.000 0.740 608 E HN 0.432 nan 8.360 nan 0.000 0.454 609 A N 0.758 123.166 122.820 -0.686 0.000 1.877 609 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 609 A C 2.450 179.460 177.584 -0.957 0.000 1.186 609 A CA 2.533 53.893 52.037 -1.128 0.000 0.620 609 A CB -0.935 17.211 19.000 -1.423 0.000 0.822 609 A HN 0.337 nan 8.150 nan 0.000 0.443 610 A N -0.568 122.035 122.820 -0.361 0.000 1.933 610 A HA -0.164 4.155 4.320 -0.000 0.000 0.218 610 A C 2.232 179.673 177.584 -0.238 0.000 1.175 610 A CA 1.751 53.719 52.037 -0.114 0.000 0.628 610 A CB -0.471 18.477 19.000 -0.088 0.000 0.814 610 A HN 0.549 nan 8.150 nan 0.000 0.444 611 R N -0.875 119.450 120.500 -0.293 0.000 2.120 611 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 611 R C 2.090 178.233 176.300 -0.262 0.000 1.123 611 R CA 1.429 57.380 56.100 -0.249 0.000 0.975 611 R CB -0.112 30.060 30.300 -0.212 0.000 0.866 611 R HN 0.521 nan 8.270 nan 0.000 0.446 612 Q N -0.878 118.685 119.800 -0.395 0.000 2.269 612 Q HA -0.068 4.272 4.340 -0.000 0.000 0.201 612 Q C 1.727 177.546 176.000 -0.302 0.000 0.946 612 Q CA 0.918 56.491 55.803 -0.384 0.000 0.877 612 Q CB 0.105 28.529 28.738 -0.523 0.000 0.963 612 Q HN 0.308 nan 8.270 nan 0.000 0.472 613 F N 1.140 120.944 119.950 -0.244 0.000 2.187 613 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 613 F C 2.723 178.329 175.800 -0.324 0.000 1.091 613 F CA 1.152 58.994 58.000 -0.263 0.000 1.308 613 F CB -1.177 37.718 39.000 -0.174 0.000 1.030 613 F HN 0.048 nan 8.300 nan 0.000 0.487 614 S N -0.212 115.448 115.700 -0.067 0.000 2.368 614 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 614 S C 1.514 175.999 174.600 -0.191 0.000 1.030 614 S CA 0.920 59.034 58.200 -0.143 0.000 0.999 614 S CB -0.515 62.608 63.200 -0.129 0.000 0.844 614 S HN 0.081 nan 8.310 nan 0.000 0.459 615 K N 1.008 121.306 120.400 -0.170 0.000 3.025 615 K HA 0.318 4.638 4.320 -0.000 0.000 0.260 615 K C 0.516 177.013 176.600 -0.173 0.000 1.023 615 K CA 0.194 56.389 56.287 -0.154 0.000 1.194 615 K CB -0.598 31.825 32.500 -0.128 0.000 1.094 615 K HN 0.586 nan 8.250 nan 0.000 0.460 616 M N -2.013 117.419 119.600 -0.279 0.000 2.279 616 M HA 0.096 4.576 4.480 -0.000 0.000 0.306 616 M C 1.009 177.042 176.300 -0.444 0.000 0.965 616 M CA 0.352 55.443 55.300 -0.349 0.000 1.038 616 M CB 0.995 33.287 32.600 -0.513 0.000 1.636 616 M HN 0.403 nan 8.290 nan 0.000 0.574 617 G N 1.605 110.178 108.800 -0.379 0.000 2.579 617 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.222 617 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.222 617 G C 0.507 175.314 174.900 -0.156 0.000 1.201 617 G CA 0.524 45.491 45.100 -0.221 0.000 0.710 617 G HN 0.512 nan 8.290 nan 0.000 0.516 618 F N 1.559 121.564 119.950 0.090 0.000 2.816 618 F HA 0.691 5.218 4.527 -0.000 0.000 0.302 618 F C 0.583 176.509 175.800 0.211 0.000 1.178 618 F CA -0.617 57.480 58.000 0.162 0.000 1.421 618 F CB -0.215 38.922 39.000 0.229 0.000 1.114 618 F HN 0.138 nan 8.300 nan 0.000 0.573 619 V N 1.753 121.665 119.914 -0.005 0.000 2.398 619 V HA 0.175 4.295 4.120 -0.000 0.000 0.286 619 V C -0.687 175.402 176.094 -0.009 0.000 1.026 619 V CA -0.885 61.441 62.300 0.043 0.000 0.868 619 V CB 1.437 33.220 31.823 -0.066 0.000 0.982 619 V HN 0.112 nan 8.190 nan 0.000 0.443 620 D N 4.096 124.491 120.400 -0.008 0.000 2.339 620 D HA 0.078 4.718 4.640 -0.000 0.000 0.241 620 D C 1.036 177.284 176.300 -0.087 0.000 1.183 620 D CA -0.390 53.572 54.000 -0.063 0.000 0.859 620 D CB 0.741 41.483 40.800 -0.096 0.000 1.067 620 D HN 0.580 nan 8.370 nan 0.000 0.484 621 N N 3.362 122.013 118.700 -0.082 0.000 2.485 621 N HA -0.072 4.668 4.740 -0.000 0.000 0.199 621 N C 0.418 175.882 175.510 -0.076 0.000 1.236 621 N CA 0.152 53.147 53.050 -0.092 0.000 0.852 621 N CB 0.117 38.544 38.487 -0.101 0.000 1.018 621 N HN 0.432 nan 8.380 nan 0.000 0.457 622 K N -0.078 120.282 120.400 -0.066 0.000 2.355 622 K HA 0.238 4.558 4.320 -0.000 0.000 0.198 622 K C 0.154 176.744 176.600 -0.015 0.000 1.039 622 K CA -0.002 56.263 56.287 -0.035 0.000 1.075 622 K CB 0.763 33.243 32.500 -0.033 0.000 0.870 622 K HN 0.060 nan 8.250 nan 0.000 0.540 623 R N 1.331 121.784 120.500 -0.078 0.000 2.738 623 R HA 0.350 4.690 4.340 -0.000 0.000 0.280 623 R C -1.024 175.204 176.300 -0.119 0.000 1.456 623 R CA -0.130 55.885 56.100 -0.141 0.000 1.612 623 R CB 0.609 30.601 30.300 -0.514 0.000 1.286 623 R HN -0.017 nan 8.270 nan 0.000 0.660 624 I N 1.225 121.877 120.570 0.136 0.000 2.355 624 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 624 I C 0.162 176.566 176.117 0.480 0.000 0.999 624 I CA -0.616 60.808 61.300 0.208 0.000 1.163 624 I CB 1.773 39.739 38.000 -0.058 0.000 1.316 624 I HN 0.282 nan 8.210 nan 0.000 0.454 625 A N 7.313 130.514 122.820 0.634 0.000 2.312 625 A HA 0.947 5.267 4.320 -0.000 0.000 0.310 625 A C -0.861 177.054 177.584 0.552 0.000 1.139 625 A CA -0.688 51.673 52.037 0.539 0.000 0.886 625 A CB 2.036 21.208 19.000 0.287 0.000 1.350 625 A HN 0.728 nan 8.150 nan 0.000 0.479 626 I N -0.308 120.506 120.570 0.407 0.000 2.785 626 I HA 0.587 4.757 4.170 -0.000 0.000 0.293 626 I C -2.237 174.135 176.117 0.425 0.000 1.446 626 I CA -0.534 60.956 61.300 0.316 0.000 1.028 626 I CB 1.681 39.610 38.000 -0.118 0.000 1.349 626 I HN 0.987 nan 8.210 nan 0.000 0.438 627 W N 6.874 128.292 121.300 0.196 0.000 3.248 627 W HA 0.839 5.499 4.660 -0.000 0.000 0.311 627 W C -1.522 175.146 176.519 0.249 0.000 1.258 627 W CA -0.959 56.521 57.345 0.225 0.000 1.191 627 W CB 1.026 30.668 29.460 0.302 0.000 1.389 627 W HN 0.835 nan 8.180 nan 0.000 0.561 628 G N 0.962 109.783 108.800 0.034 0.000 2.646 628 G HA2 0.535 4.495 3.960 -0.000 0.000 0.291 628 G HA3 0.535 4.495 3.960 -0.000 0.000 0.291 628 G C -2.714 172.225 174.900 0.065 0.000 1.445 628 G CA -0.665 44.323 45.100 -0.186 0.000 0.814 628 G HN 0.641 nan 8.290 nan 0.000 0.495 629 W N 0.773 122.000 121.300 -0.121 0.000 2.799 629 W HA 0.649 5.308 4.660 -0.000 0.000 0.349 629 W C 0.798 177.358 176.519 0.069 0.000 1.100 629 W CA 0.318 57.655 57.345 -0.012 0.000 1.174 629 W CB 1.929 31.374 29.460 -0.026 0.000 1.427 629 W HN 1.166 nan 8.180 nan 0.000 0.547 630 S N 1.477 117.489 115.700 0.520 0.000 3.938 630 S HA -0.429 4.041 4.470 -0.000 0.000 0.624 630 S C 1.101 175.850 174.600 0.247 0.000 2.186 630 S CA 1.706 60.193 58.200 0.479 0.000 4.144 630 S CB -1.783 61.789 63.200 0.621 0.000 0.230 630 S HN 0.755 nan 8.310 nan 0.000 0.755 631 Y N 2.131 122.462 120.300 0.051 0.000 2.151 631 Y HA -0.077 4.473 4.550 -0.000 0.000 0.284 631 Y C 2.396 178.221 175.900 -0.125 0.000 1.166 631 Y CA 2.732 60.740 58.100 -0.154 0.000 1.163 631 Y CB -1.122 37.031 38.460 -0.512 0.000 0.974 631 Y HN 0.562 nan 8.280 nan 0.000 0.511 632 G N -1.124 107.715 108.800 0.065 0.000 2.432 632 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 632 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 632 G C 1.913 176.873 174.900 0.099 0.000 1.135 632 G CA 0.751 45.919 45.100 0.113 0.000 0.767 632 G HN 0.599 nan 8.290 nan 0.000 0.550 633 G N -0.211 108.661 108.800 0.119 0.000 2.408 633 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 633 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 633 G C 1.595 176.532 174.900 0.061 0.000 1.150 633 G CA 1.072 46.224 45.100 0.088 0.000 0.776 633 G HN 0.461 nan 8.290 nan 0.000 0.542 634 Y N 1.233 121.452 120.300 -0.135 0.000 2.220 634 Y HA -0.029 4.521 4.550 -0.000 0.000 0.291 634 Y C 2.650 178.465 175.900 -0.141 0.000 1.129 634 Y CA 1.320 59.282 58.100 -0.231 0.000 1.161 634 Y CB -0.311 37.849 38.460 -0.500 0.000 0.997 634 Y HN 0.020 nan 8.280 nan 0.000 0.522 635 V N -0.065 119.727 119.914 -0.202 0.000 2.358 635 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 635 V C 2.288 178.269 176.094 -0.188 0.000 1.047 635 V CA 2.416 64.581 62.300 -0.225 0.000 1.035 635 V CB -1.203 30.643 31.823 0.039 0.000 0.658 635 V HN 0.488 nan 8.190 nan 0.000 0.452 636 T N -0.094 114.411 114.554 -0.081 0.000 2.699 636 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 636 T C 2.141 176.787 174.700 -0.089 0.000 1.036 636 T CA 2.012 64.078 62.100 -0.057 0.000 1.147 636 T CB -0.303 68.612 68.868 0.079 0.000 0.862 636 T HN 0.500 nan 8.240 nan 0.000 0.446 637 S N 1.037 116.705 115.700 -0.053 0.000 2.356 637 S HA -0.040 4.430 4.470 -0.000 0.000 0.223 637 S C 2.173 176.683 174.600 -0.149 0.000 1.032 637 S CA 0.966 59.147 58.200 -0.032 0.000 1.005 637 S CB -0.317 62.900 63.200 0.028 0.000 0.867 637 S HN 0.296 nan 8.310 nan 0.000 0.449 638 M N 1.016 120.445 119.600 -0.285 0.000 2.080 638 M HA -0.075 4.405 4.480 -0.000 0.000 0.260 638 M C 2.249 178.401 176.300 -0.247 0.000 1.068 638 M CA 1.236 56.357 55.300 -0.298 0.000 1.109 638 M CB -1.574 30.752 32.600 -0.456 0.000 1.342 638 M HN 0.176 nan 8.290 nan 0.000 0.405 639 V N 0.567 120.328 119.914 -0.256 0.000 2.295 639 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 639 V C 2.549 178.463 176.094 -0.301 0.000 1.049 639 V CA 1.447 63.595 62.300 -0.253 0.000 1.024 639 V CB -0.645 30.973 31.823 -0.343 0.000 0.648 639 V HN 0.423 nan 8.190 nan 0.000 0.447 640 L N 0.330 121.321 121.223 -0.386 0.000 2.191 640 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 640 L C 2.204 178.557 176.870 -0.862 0.000 1.103 640 L CA 1.497 56.017 54.840 -0.533 0.000 0.769 640 L CB -0.743 40.980 42.059 -0.560 0.000 0.908 640 L HN 0.507 nan 8.230 nan 0.000 0.438 641 G N -1.403 106.939 108.800 -0.764 0.000 3.088 641 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 641 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 641 G C 1.543 176.285 174.900 -0.264 0.000 1.159 641 G CA 0.564 45.292 45.100 -0.620 0.000 0.760 641 G HN 0.433 nan 8.290 nan 0.000 0.550 642 S N -0.387 115.182 115.700 -0.219 0.000 2.453 642 S HA 0.255 4.725 4.470 -0.000 0.000 0.231 642 S C 2.042 176.594 174.600 -0.080 0.000 1.005 642 S CA 1.168 59.300 58.200 -0.114 0.000 0.949 642 S CB -0.238 62.914 63.200 -0.081 0.000 0.774 642 S HN 1.397 nan 8.310 nan 0.000 0.510 643 G N 1.134 109.876 108.800 -0.097 0.000 2.143 643 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.249 643 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.249 643 G C 1.002 175.887 174.900 -0.025 0.000 0.981 643 G CA 0.981 46.046 45.100 -0.058 0.000 0.665 643 G HN 1.337 nan 8.290 nan 0.000 0.528 644 S N -0.358 115.340 115.700 -0.005 0.000 2.442 644 S HA 0.259 4.729 4.470 -0.000 0.000 0.236 644 S C 2.630 177.232 174.600 0.003 0.000 1.007 644 S CA 1.698 59.907 58.200 0.014 0.000 0.965 644 S CB -0.395 62.844 63.200 0.064 0.000 0.773 644 S HN 2.433 nan 8.310 nan 0.000 0.504 645 G N -0.030 108.777 108.800 0.013 0.000 2.189 645 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 645 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 645 G C 0.741 175.618 174.900 -0.038 0.000 0.975 645 G CA 0.462 45.560 45.100 -0.004 0.000 0.644 645 G HN 0.704 nan 8.290 nan 0.000 0.537 646 V N -0.669 119.203 119.914 -0.069 0.000 2.719 646 V HA 0.284 4.404 4.120 -0.000 0.000 0.252 646 V C 1.027 176.832 176.094 -0.482 0.000 1.065 646 V CA 1.422 63.533 62.300 -0.316 0.000 1.086 646 V CB -0.312 31.207 31.823 -0.507 0.000 0.700 646 V HN 0.314 nan 8.190 nan 0.000 0.467 647 F N -0.411 119.550 119.950 0.018 0.000 2.469 647 F HA 0.435 4.962 4.527 -0.000 0.000 0.332 647 F C 0.952 176.790 175.800 0.063 0.000 1.103 647 F CA -0.771 57.265 58.000 0.061 0.000 0.979 647 F CB 1.675 40.715 39.000 0.067 0.000 1.137 647 F HN -0.281 nan 8.300 nan 0.000 0.463 648 K N 1.601 122.158 120.400 0.262 0.000 2.005 648 K HA 0.070 4.390 4.320 -0.000 0.000 0.206 648 K C 0.216 176.937 176.600 0.202 0.000 1.044 648 K CA 1.174 57.577 56.287 0.192 0.000 0.942 648 K CB 0.137 32.750 32.500 0.188 0.000 0.727 648 K HN 0.813 nan 8.250 nan 0.000 0.439 649 c N -2.123 116.617 118.600 0.234 0.000 3.161 649 c HA 0.967 5.537 4.570 -0.000 0.000 0.330 649 c C 0.079 174.378 174.090 0.350 0.000 1.396 649 c CA -0.459 56.029 56.329 0.263 0.000 1.536 649 c CB 0.959 43.511 42.510 0.070 0.000 1.978 649 c HN 0.509 nan 8.230 nan 0.000 0.454 650 G N -0.313 108.792 108.800 0.508 0.000 2.519 650 G HA2 0.614 4.574 3.960 -0.000 0.000 0.292 650 G HA3 0.614 4.574 3.960 -0.000 0.000 0.292 650 G C -1.936 173.230 174.900 0.443 0.000 1.507 650 G CA -0.673 44.700 45.100 0.455 0.000 0.806 650 G HN 0.961 nan 8.290 nan 0.000 0.523 651 I N 0.512 121.306 120.570 0.373 0.000 2.498 651 I HA 0.681 4.851 4.170 -0.000 0.000 0.290 651 I C 0.197 176.476 176.117 0.271 0.000 1.032 651 I CA -1.074 60.337 61.300 0.185 0.000 1.073 651 I CB 2.329 40.398 38.000 0.114 0.000 1.251 651 I HN 0.704 nan 8.210 nan 0.000 0.426 652 A N 6.110 128.996 122.820 0.110 0.000 2.319 652 A HA 0.777 5.097 4.320 -0.000 0.000 0.310 652 A C -0.816 176.722 177.584 -0.076 0.000 1.152 652 A CA -0.529 51.572 52.037 0.106 0.000 0.783 652 A CB 1.213 20.336 19.000 0.205 0.000 1.184 652 A HN 0.447 nan 8.150 nan 0.000 0.474 653 V N 2.115 121.939 119.914 -0.150 0.000 2.384 653 V HA 0.572 4.692 4.120 -0.000 0.000 0.287 653 V C 0.967 176.692 176.094 -0.616 0.000 1.020 653 V CA 0.361 62.343 62.300 -0.530 0.000 0.850 653 V CB 0.775 31.991 31.823 -1.012 0.000 0.987 653 V HN 2.136 nan 8.190 nan 0.000 0.436 654 A N 5.540 127.953 122.820 -0.677 0.000 2.640 654 A HA -0.105 4.215 4.320 -0.000 0.000 0.300 654 A C -1.505 175.947 177.584 -0.219 0.000 1.499 654 A CA 0.559 52.089 52.037 -0.846 0.000 0.759 654 A CB -1.652 17.034 19.000 -0.523 0.000 1.048 654 A HN 0.638 nan 8.150 nan 0.000 0.450 655 P HA 0.425 nan 4.420 nan 0.000 0.274 655 P C 0.045 177.316 177.300 -0.047 0.000 1.246 655 P CA -0.191 62.899 63.100 -0.017 0.000 0.795 655 P CB 1.149 32.861 31.700 0.020 0.000 1.006 656 V N 1.369 121.162 119.914 -0.201 0.000 2.539 656 V HA 0.146 4.266 4.120 -0.000 0.000 0.292 656 V C 1.580 177.486 176.094 -0.314 0.000 1.045 656 V CA 0.400 62.437 62.300 -0.438 0.000 0.945 656 V CB 1.109 32.291 31.823 -1.068 0.000 0.993 656 V HN 0.780 nan 8.190 nan 0.000 0.464 657 S N 3.684 119.229 115.700 -0.258 0.000 2.539 657 S HA 0.244 4.714 4.470 -0.000 0.000 0.226 657 S C 0.468 174.884 174.600 -0.306 0.000 1.054 657 S CA -0.404 57.700 58.200 -0.161 0.000 0.910 657 S CB 0.270 63.438 63.200 -0.052 0.000 0.818 657 S HN 0.837 nan 8.310 nan 0.000 0.490 658 R N -1.270 118.920 120.500 -0.516 0.000 2.561 658 R HA 0.468 4.808 4.340 -0.000 0.000 0.266 658 R C -1.001 174.959 176.300 -0.567 0.000 1.091 658 R CA -0.911 54.842 56.100 -0.579 0.000 0.927 658 R CB -0.152 29.790 30.300 -0.596 0.000 1.240 658 R HN 0.114 nan 8.270 nan 0.000 0.449 659 W N 1.354 122.548 121.300 -0.176 0.000 2.421 659 W HA -0.028 4.632 4.660 -0.000 0.000 0.270 659 W C 0.978 177.624 176.519 0.212 0.000 1.233 659 W CA 0.818 58.158 57.345 -0.008 0.000 1.226 659 W CB 0.195 29.584 29.460 -0.117 0.000 1.121 659 W HN 0.706 nan 8.180 nan 0.000 0.579 660 E N -0.927 119.450 120.200 0.295 0.000 2.478 660 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 660 E C 1.148 177.925 176.600 0.295 0.000 1.046 660 E CA 0.597 57.132 56.400 0.225 0.000 0.870 660 E CB -0.174 29.552 29.700 0.044 0.000 0.818 660 E HN 0.379 nan 8.360 nan 0.000 0.527 661 Y N -1.436 118.964 120.300 0.167 0.000 2.503 661 Y HA 0.068 4.618 4.550 -0.000 0.000 0.278 661 Y C 0.784 176.812 175.900 0.214 0.000 1.111 661 Y CA -0.374 57.799 58.100 0.122 0.000 1.270 661 Y CB -0.321 38.147 38.460 0.013 0.000 1.063 661 Y HN 0.010 nan 8.280 nan 0.000 0.548 662 Y N 2.286 122.752 120.300 0.277 0.000 2.326 662 Y HA 0.260 4.810 4.550 -0.000 0.000 0.324 662 Y C 0.346 176.471 175.900 0.375 0.000 1.291 662 Y CA -1.934 56.335 58.100 0.281 0.000 1.348 662 Y CB 0.282 38.910 38.460 0.281 0.000 1.294 662 Y HN 0.197 nan 8.280 nan 0.000 0.525 663 D N -0.262 119.944 120.400 -0.323 0.000 2.423 663 D HA 0.050 4.690 4.640 -0.000 0.000 0.238 663 D C 0.963 177.249 176.300 -0.024 0.000 1.142 663 D CA 0.459 54.277 54.000 -0.303 0.000 0.884 663 D CB 0.821 41.214 40.800 -0.680 0.000 1.199 663 D HN 0.489 nan 8.370 nan 0.000 0.438 664 S N 1.444 117.145 115.700 0.003 0.000 2.353 664 S HA -0.235 4.235 4.470 -0.000 0.000 0.222 664 S C 1.995 176.623 174.600 0.048 0.000 1.035 664 S CA 1.180 59.429 58.200 0.081 0.000 1.025 664 S CB -1.076 62.177 63.200 0.088 0.000 0.902 664 S HN 0.433 nan 8.310 nan 0.000 0.440 665 V N 0.873 120.748 119.914 -0.066 0.000 2.317 665 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 665 V C 2.291 178.290 176.094 -0.157 0.000 1.065 665 V CA 2.428 64.580 62.300 -0.248 0.000 1.049 665 V CB -1.050 30.469 31.823 -0.506 0.000 0.651 665 V HN 0.636 nan 8.190 nan 0.000 0.450 666 Y N 0.967 121.201 120.300 -0.109 0.000 2.177 666 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 666 Y C 2.746 178.698 175.900 0.087 0.000 1.117 666 Y CA 2.133 60.260 58.100 0.045 0.000 1.114 666 Y CB -0.627 38.017 38.460 0.305 0.000 1.017 666 Y HN 0.184 nan 8.280 nan 0.000 0.505 667 T N 0.543 115.375 114.554 0.463 0.000 2.635 667 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 667 T C 1.601 176.325 174.700 0.039 0.000 1.040 667 T CA 2.114 64.409 62.100 0.325 0.000 1.156 667 T CB -0.355 68.821 68.868 0.512 0.000 0.863 667 T HN 0.421 nan 8.240 nan 0.000 0.430 668 E N 0.403 120.638 120.200 0.057 0.000 2.110 668 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 668 E C 2.329 178.827 176.600 -0.170 0.000 0.988 668 E CA 0.649 57.062 56.400 0.022 0.000 0.804 668 E CB -0.149 29.602 29.700 0.084 0.000 0.745 668 E HN 0.315 nan 8.360 nan 0.000 0.458 669 R N -0.254 120.002 120.500 -0.407 0.000 2.226 669 R HA -0.214 4.126 4.340 -0.000 0.000 0.246 669 R C 0.974 176.731 176.300 -0.905 0.000 1.161 669 R CA 1.549 57.210 56.100 -0.731 0.000 0.997 669 R CB 0.017 29.599 30.300 -1.196 0.000 0.870 669 R HN 0.272 nan 8.270 nan 0.000 0.465 670 Y N -2.879 117.164 120.300 -0.427 0.000 2.526 670 Y HA 0.230 4.780 4.550 -0.000 0.000 0.265 670 Y C 1.712 177.451 175.900 -0.268 0.000 1.092 670 Y CA -0.143 57.699 58.100 -0.430 0.000 1.277 670 Y CB 0.404 38.475 38.460 -0.649 0.000 1.228 670 Y HN -0.055 nan 8.280 nan 0.000 0.507 671 M N -0.617 118.897 119.600 -0.142 0.000 2.491 671 M HA 0.398 4.878 4.480 -0.000 0.000 0.259 671 M C 1.083 177.404 176.300 0.036 0.000 1.163 671 M CA 1.025 56.227 55.300 -0.164 0.000 1.109 671 M CB -0.228 32.061 32.600 -0.518 0.000 1.353 671 M HN 0.332 nan 8.290 nan 0.000 0.500 672 G N 1.513 110.362 108.800 0.083 0.000 2.615 672 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 672 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 672 G C -1.104 173.944 174.900 0.246 0.000 1.339 672 G CA -0.934 44.247 45.100 0.136 0.000 0.884 672 G HN 0.203 nan 8.290 nan 0.000 0.559 673 L N 2.404 123.737 121.223 0.183 0.000 2.307 673 L HA 0.525 4.865 4.340 -0.000 0.000 0.282 673 L C -1.191 175.695 176.870 0.027 0.000 1.051 673 L CA -1.675 53.228 54.840 0.105 0.000 0.804 673 L CB 1.423 43.507 42.059 0.041 0.000 1.197 673 L HN 0.427 nan 8.230 nan 0.000 0.431 674 P HA 0.046 nan 4.420 nan 0.000 0.246 674 P C -0.443 176.719 177.300 -0.230 0.000 1.686 674 P CA -0.150 62.562 63.100 -0.647 0.000 0.867 674 P CB -0.586 30.382 31.700 -1.221 0.000 1.733 675 T N -3.127 111.377 114.554 -0.084 0.000 2.929 675 T HA 0.377 4.726 4.350 -0.000 0.000 0.284 675 T C -1.612 173.090 174.700 0.003 0.000 1.014 675 T CA -2.341 59.737 62.100 -0.036 0.000 1.051 675 T CB 1.656 70.514 68.868 -0.016 0.000 1.028 675 T HN -0.172 nan 8.240 nan 0.000 0.485 676 P HA -0.117 nan 4.420 nan 0.000 0.218 676 P C 0.834 178.152 177.300 0.031 0.000 1.148 676 P CA 1.222 64.336 63.100 0.024 0.000 0.822 676 P CB 0.198 31.908 31.700 0.016 0.000 0.784 677 E N -0.566 119.648 120.200 0.022 0.000 2.204 677 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 677 E C 1.765 178.386 176.600 0.034 0.000 0.989 677 E CA 0.975 57.389 56.400 0.023 0.000 0.824 677 E CB -0.429 29.280 29.700 0.015 0.000 0.756 677 E HN 0.339 nan 8.360 nan 0.000 0.477 678 D N -0.406 120.021 120.400 0.045 0.000 2.525 678 D HA 0.060 4.700 4.640 -0.000 0.000 0.261 678 D C 0.408 176.768 176.300 0.099 0.000 1.379 678 D CA 0.347 54.387 54.000 0.066 0.000 1.074 678 D CB -0.014 40.829 40.800 0.072 0.000 0.939 678 D HN 0.030 nan 8.370 nan 0.000 0.272 679 N N -0.175 118.620 118.700 0.159 0.000 2.377 679 N HA 0.045 4.785 4.740 -0.000 0.000 0.259 679 N C 1.250 176.967 175.510 0.344 0.000 1.332 679 N CA -0.120 53.069 53.050 0.232 0.000 0.877 679 N CB 0.650 39.289 38.487 0.252 0.000 1.299 679 N HN -0.014 nan 8.380 nan 0.000 0.501 680 L N 0.829 122.178 121.223 0.210 0.000 2.129 680 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 680 L C 1.440 178.431 176.870 0.201 0.000 1.087 680 L CA 1.938 56.876 54.840 0.164 0.000 0.757 680 L CB -0.321 41.763 42.059 0.042 0.000 0.896 680 L HN 0.208 nan 8.230 nan 0.000 0.434 681 D N -1.384 119.117 120.400 0.168 0.000 2.097 681 D HA -0.250 4.390 4.640 -0.000 0.000 0.195 681 D C 1.978 178.386 176.300 0.180 0.000 0.989 681 D CA 1.746 55.833 54.000 0.144 0.000 0.827 681 D CB -0.158 40.711 40.800 0.114 0.000 0.966 681 D HN 0.564 nan 8.370 nan 0.000 0.456 682 H N -0.503 118.633 119.070 0.110 0.000 2.395 682 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 682 H C 1.757 177.146 175.328 0.100 0.000 1.070 682 H CA 1.225 57.314 56.048 0.068 0.000 1.356 682 H CB -0.369 29.400 29.762 0.011 0.000 1.401 682 H HN 0.126 nan 8.280 nan 0.000 0.524 683 Y N 0.542 120.853 120.300 0.019 0.000 2.114 683 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 683 Y C 2.493 178.366 175.900 -0.046 0.000 1.165 683 Y CA 1.828 59.932 58.100 0.006 0.000 1.148 683 Y CB 0.045 38.537 38.460 0.053 0.000 0.972 683 Y HN 0.142 nan 8.280 nan 0.000 0.504 684 R N -0.144 120.439 120.500 0.138 0.000 2.115 684 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 684 R C 1.695 177.992 176.300 -0.005 0.000 1.111 684 R CA 1.277 57.408 56.100 0.051 0.000 0.976 684 R CB -1.027 29.306 30.300 0.055 0.000 0.870 684 R HN 0.400 nan 8.270 nan 0.000 0.445 685 N N 0.470 119.149 118.700 -0.035 0.000 2.216 685 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 685 N C 0.966 176.420 175.510 -0.094 0.000 1.017 685 N CA 1.309 54.333 53.050 -0.044 0.000 0.861 685 N CB -0.060 38.437 38.487 0.017 0.000 0.986 685 N HN 0.171 nan 8.380 nan 0.000 0.428 686 S N -0.297 115.271 115.700 -0.220 0.000 2.906 686 S HA 0.040 4.510 4.470 -0.000 0.000 0.234 686 S C 0.419 175.041 174.600 0.037 0.000 0.973 686 S CA -0.394 57.747 58.200 -0.099 0.000 1.036 686 S CB -1.301 61.797 63.200 -0.170 0.000 0.798 686 S HN 0.271 nan 8.310 nan 0.000 0.498 687 T N -2.383 112.158 114.554 -0.021 0.000 2.928 687 T HA 0.515 4.865 4.350 -0.000 0.000 0.284 687 T C 1.230 175.914 174.700 -0.027 0.000 1.008 687 T CA -0.766 61.307 62.100 -0.045 0.000 1.057 687 T CB 1.495 70.309 68.868 -0.090 0.000 1.018 687 T HN -0.023 nan 8.240 nan 0.000 0.493 688 V N 2.348 122.240 119.914 -0.036 0.000 2.453 688 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 688 V C 2.718 178.772 176.094 -0.067 0.000 1.048 688 V CA 1.621 63.891 62.300 -0.049 0.000 1.049 688 V CB -0.856 30.929 31.823 -0.062 0.000 0.672 688 V HN 0.876 nan 8.190 nan 0.000 0.457 689 M N 1.164 120.709 119.600 -0.092 0.000 2.213 689 M HA -0.098 4.382 4.480 -0.000 0.000 0.263 689 M C 2.305 178.571 176.300 -0.056 0.000 1.062 689 M CA 2.083 57.323 55.300 -0.100 0.000 1.105 689 M CB -2.024 30.524 32.600 -0.087 0.000 1.385 689 M HN 0.544 nan 8.290 nan 0.000 0.417 690 S N 0.647 116.325 115.700 -0.037 0.000 2.500 690 S HA -0.057 4.413 4.470 -0.000 0.000 0.239 690 S C 1.794 176.396 174.600 0.002 0.000 0.989 690 S CA 0.726 58.915 58.200 -0.017 0.000 0.951 690 S CB -0.517 62.674 63.200 -0.016 0.000 0.759 690 S HN 0.621 nan 8.310 nan 0.000 0.523 691 R N 0.101 120.614 120.500 0.022 0.000 2.397 691 R HA 0.447 4.787 4.340 -0.000 0.000 0.241 691 R C 2.268 178.672 176.300 0.174 0.000 0.914 691 R CA 0.445 56.589 56.100 0.074 0.000 1.071 691 R CB -0.207 30.140 30.300 0.079 0.000 1.116 691 R HN 0.432 nan 8.270 nan 0.000 0.524 692 A N 1.722 124.584 122.820 0.071 0.000 1.954 692 A HA -0.337 3.983 4.320 -0.000 0.000 0.222 692 A C 1.996 179.665 177.584 0.142 0.000 1.199 692 A CA 2.179 54.218 52.037 0.004 0.000 0.657 692 A CB -0.366 18.569 19.000 -0.109 0.000 0.823 692 A HN 0.306 nan 8.150 nan 0.000 0.463 693 E N 0.519 120.776 120.200 0.095 0.000 2.049 693 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 693 E C 1.591 178.255 176.600 0.107 0.000 1.007 693 E CA 2.079 58.529 56.400 0.083 0.000 0.809 693 E CB -0.568 29.161 29.700 0.048 0.000 0.749 693 E HN 0.814 nan 8.360 nan 0.000 0.450 694 N N -1.062 117.694 118.700 0.093 0.000 2.609 694 N HA -0.093 4.647 4.740 -0.000 0.000 0.190 694 N C 0.655 176.138 175.510 -0.045 0.000 1.157 694 N CA 0.088 53.141 53.050 0.006 0.000 0.918 694 N CB -0.134 38.309 38.487 -0.074 0.000 0.978 694 N HN 0.146 nan 8.380 nan 0.000 0.448 695 F N 1.396 121.308 119.950 -0.063 0.000 2.748 695 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 695 F C 1.854 177.665 175.800 0.019 0.000 1.154 695 F CA 0.563 58.526 58.000 -0.062 0.000 1.446 695 F CB 0.057 38.979 39.000 -0.129 0.000 1.112 695 F HN -0.085 nan 8.300 nan 0.000 0.584 696 K N -0.343 120.155 120.400 0.163 0.000 2.209 696 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 696 K C 1.481 178.138 176.600 0.094 0.000 1.048 696 K CA 0.819 57.183 56.287 0.128 0.000 0.940 696 K CB -0.091 32.464 32.500 0.092 0.000 0.729 696 K HN 0.173 nan 8.250 nan 0.000 0.451 697 Q N 0.345 120.176 119.800 0.051 0.000 2.365 697 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 697 Q C 0.223 176.249 176.000 0.043 0.000 0.929 697 Q CA 0.245 56.068 55.803 0.034 0.000 0.948 697 Q CB 0.348 29.087 28.738 0.002 0.000 1.043 697 Q HN 0.200 nan 8.270 nan 0.000 0.505 698 V N -3.764 116.194 119.914 0.073 0.000 3.147 698 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 698 V C -0.878 175.351 176.094 0.225 0.000 1.209 698 V CA -1.293 61.076 62.300 0.115 0.000 1.023 698 V CB 2.371 34.218 31.823 0.040 0.000 1.059 698 V HN -0.064 nan 8.190 nan 0.000 0.435 699 E N 1.769 122.128 120.200 0.266 0.000 2.089 699 E HA 0.409 4.759 4.350 -0.000 0.000 0.284 699 E C -1.791 175.158 176.600 0.583 0.000 1.023 699 E CA -0.312 56.310 56.400 0.371 0.000 0.819 699 E CB 1.363 31.218 29.700 0.258 0.000 1.076 699 E HN 0.658 nan 8.360 nan 0.000 0.396 700 Y N 3.633 124.178 120.300 0.407 0.000 2.409 700 Y HA 0.487 5.037 4.550 -0.000 0.000 0.339 700 Y C -1.316 174.689 175.900 0.174 0.000 1.033 700 Y CA -1.258 57.046 58.100 0.341 0.000 1.094 700 Y CB 0.981 39.690 38.460 0.415 0.000 1.210 700 Y HN 0.405 nan 8.280 nan 0.000 0.456 701 L N 7.806 128.725 121.223 -0.507 0.000 2.404 701 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 701 L C -1.907 174.502 176.870 -0.768 0.000 0.980 701 L CA -0.714 53.706 54.840 -0.700 0.000 0.836 701 L CB 1.312 42.653 42.059 -1.197 0.000 1.238 701 L HN 0.658 nan 8.230 nan 0.000 0.408 702 L N 6.030 126.909 121.223 -0.574 0.000 2.307 702 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 702 L C -0.931 175.827 176.870 -0.187 0.000 1.023 702 L CA -0.540 54.050 54.840 -0.417 0.000 0.810 702 L CB 1.773 43.663 42.059 -0.281 0.000 1.231 702 L HN 0.611 nan 8.230 nan 0.000 0.423 703 I N 3.719 124.194 120.570 -0.159 0.000 2.647 703 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 703 I C -0.966 175.136 176.117 -0.025 0.000 1.078 703 I CA -0.708 60.547 61.300 -0.076 0.000 1.048 703 I CB 2.163 40.086 38.000 -0.128 0.000 1.239 703 I HN 0.517 nan 8.210 nan 0.000 0.421 704 H N 2.521 121.651 119.070 0.099 0.000 3.079 704 H HA 0.421 4.977 4.556 -0.000 0.000 0.356 704 H C -0.847 174.718 175.328 0.394 0.000 1.221 704 H CA -0.602 55.554 56.048 0.181 0.000 1.185 704 H CB 2.500 32.321 29.762 0.098 0.000 1.882 704 H HN 0.755 nan 8.280 nan 0.000 0.543 705 G N 0.826 110.001 108.800 0.625 0.000 2.372 705 G HA2 0.242 4.202 3.960 -0.000 0.000 0.283 705 G HA3 0.242 4.202 3.960 -0.000 0.000 0.283 705 G C 1.107 176.289 174.900 0.470 0.000 1.177 705 G CA 0.196 45.602 45.100 0.510 0.000 0.842 705 G HN 0.645 nan 8.290 nan 0.000 0.503 706 T N -0.647 114.044 114.554 0.229 0.000 3.007 706 T HA 0.066 4.416 4.350 -0.000 0.000 0.270 706 T C 1.685 176.395 174.700 0.016 0.000 1.107 706 T CA 1.320 63.376 62.100 -0.074 0.000 1.118 706 T CB 0.157 68.930 68.868 -0.158 0.000 0.889 706 T HN 0.682 nan 8.240 nan 0.000 0.506 707 A N 0.878 123.778 122.820 0.133 0.000 2.610 707 A HA 0.314 4.634 4.320 -0.000 0.000 0.286 707 A C 0.434 178.001 177.584 -0.027 0.000 1.306 707 A CA -0.488 51.609 52.037 0.100 0.000 0.942 707 A CB -0.210 19.070 19.000 0.466 0.000 1.112 707 A HN 0.378 nan 8.150 nan 0.000 0.527 708 D N 1.630 122.039 120.400 0.014 0.000 2.342 708 D HA -0.014 4.626 4.640 -0.000 0.000 0.260 708 D C 0.414 176.665 176.300 -0.082 0.000 1.278 708 D CA 0.191 54.272 54.000 0.134 0.000 0.910 708 D CB 0.646 41.675 40.800 0.381 0.000 1.079 708 D HN 0.558 nan 8.370 nan 0.000 0.496 709 D N 2.584 122.971 120.400 -0.022 0.000 2.289 709 D HA -0.152 4.488 4.640 -0.000 0.000 0.207 709 D C 1.068 177.303 176.300 -0.109 0.000 0.966 709 D CA -0.015 53.922 54.000 -0.106 0.000 0.868 709 D CB 0.296 40.989 40.800 -0.177 0.000 0.943 709 D HN 0.249 nan 8.370 nan 0.000 0.514 710 N N 0.875 119.600 118.700 0.041 0.000 2.178 710 N HA -0.060 4.680 4.740 -0.000 0.000 0.189 710 N C 0.029 175.412 175.510 -0.212 0.000 1.048 710 N CA 0.705 53.816 53.050 0.102 0.000 0.855 710 N CB 0.406 38.964 38.487 0.118 0.000 1.028 710 N HN -0.055 nan 8.380 nan 0.000 0.441 711 V N 2.802 122.558 119.914 -0.264 0.000 2.277 711 V HA 0.197 4.317 4.120 -0.000 0.000 0.269 711 V C -0.718 175.347 176.094 -0.048 0.000 1.036 711 V CA -0.479 61.706 62.300 -0.193 0.000 0.821 711 V CB -0.182 31.552 31.823 -0.148 0.000 1.052 711 V HN 0.285 nan 8.190 nan 0.000 0.462 712 H N 3.156 122.161 119.070 -0.108 0.000 3.064 712 H HA -0.054 4.502 4.556 -0.000 0.000 0.329 712 H C 0.867 176.025 175.328 -0.284 0.000 1.020 712 H CA 0.074 55.990 56.048 -0.220 0.000 1.402 712 H CB 0.661 30.224 29.762 -0.332 0.000 1.379 712 H HN 0.605 nan 8.280 nan 0.000 0.594 713 F N 2.243 121.973 119.950 -0.367 0.000 2.184 713 F HA -0.323 4.204 4.527 -0.000 0.000 0.301 713 F C 2.579 178.125 175.800 -0.424 0.000 1.076 713 F CA 1.904 59.531 58.000 -0.623 0.000 1.295 713 F CB -0.195 38.608 39.000 -0.328 0.000 1.026 713 F HN 0.686 nan 8.300 nan 0.000 0.494 714 Q N 0.039 119.725 119.800 -0.190 0.000 2.217 714 Q HA -0.289 4.051 4.340 -0.000 0.000 0.209 714 Q C 1.998 177.793 176.000 -0.342 0.000 0.988 714 Q CA 1.954 57.596 55.803 -0.269 0.000 0.878 714 Q CB -0.327 28.205 28.738 -0.344 0.000 0.909 714 Q HN 0.574 nan 8.270 nan 0.000 0.424 715 Q N -0.088 119.538 119.800 -0.290 0.000 2.061 715 Q HA -0.122 4.217 4.340 -0.000 0.000 0.204 715 Q C 2.270 178.181 176.000 -0.149 0.000 0.984 715 Q CA 1.824 57.572 55.803 -0.092 0.000 0.846 715 Q CB -0.137 28.601 28.738 0.001 0.000 0.902 715 Q HN 0.357 nan 8.270 nan 0.000 0.421 716 S N 0.727 116.227 115.700 -0.335 0.000 2.414 716 S HA -0.003 4.467 4.470 -0.000 0.000 0.227 716 S C 2.020 176.395 174.600 -0.374 0.000 1.022 716 S CA 0.706 58.713 58.200 -0.322 0.000 0.958 716 S CB -0.100 62.889 63.200 -0.353 0.000 0.797 716 S HN 0.465 nan 8.310 nan 0.000 0.493 717 A N 1.145 123.657 122.820 -0.514 0.000 2.024 717 A HA -0.127 4.192 4.320 -0.000 0.000 0.220 717 A C 2.084 179.582 177.584 -0.143 0.000 1.164 717 A CA 1.125 52.989 52.037 -0.288 0.000 0.643 717 A CB -0.305 18.584 19.000 -0.185 0.000 0.806 717 A HN 0.357 nan 8.150 nan 0.000 0.451 718 Q N -0.737 118.986 119.800 -0.128 0.000 2.250 718 Q HA 0.127 4.467 4.340 -0.000 0.000 0.200 718 Q C 2.067 178.015 176.000 -0.086 0.000 0.941 718 Q CA 0.641 56.414 55.803 -0.049 0.000 0.872 718 Q CB -0.151 28.631 28.738 0.072 0.000 0.965 718 Q HN 0.765 nan 8.270 nan 0.000 0.480 719 I N 1.150 121.640 120.570 -0.133 0.000 2.202 719 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 719 I C 2.521 178.463 176.117 -0.291 0.000 1.091 719 I CA 1.452 62.625 61.300 -0.212 0.000 1.368 719 I CB -0.379 37.502 38.000 -0.197 0.000 1.058 719 I HN 0.175 nan 8.210 nan 0.000 0.410 720 S N 0.885 116.453 115.700 -0.220 0.000 2.355 720 S HA -0.257 4.213 4.470 -0.000 0.000 0.222 720 S C 2.064 176.641 174.600 -0.038 0.000 1.031 720 S CA 1.249 59.367 58.200 -0.136 0.000 0.993 720 S CB -0.433 62.864 63.200 0.163 0.000 0.859 720 S HN 0.324 nan 8.310 nan 0.000 0.453 721 K N 1.483 121.863 120.400 -0.033 0.000 2.103 721 K HA 0.005 4.325 4.320 -0.000 0.000 0.207 721 K C 2.257 178.837 176.600 -0.034 0.000 1.048 721 K CA 1.133 57.414 56.287 -0.010 0.000 0.930 721 K CB -0.607 31.885 32.500 -0.013 0.000 0.716 721 K HN 0.499 nan 8.250 nan 0.000 0.444 722 A N 0.899 123.667 122.820 -0.087 0.000 1.873 722 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 722 A C 2.048 179.564 177.584 -0.113 0.000 1.186 722 A CA 1.174 53.151 52.037 -0.099 0.000 0.616 722 A CB -0.554 18.363 19.000 -0.139 0.000 0.823 722 A HN 0.280 nan 8.150 nan 0.000 0.442 723 L N -0.405 120.701 121.223 -0.195 0.000 2.046 723 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 723 L C 2.509 179.393 176.870 0.023 0.000 1.077 723 L CA 1.032 55.768 54.840 -0.174 0.000 0.747 723 L CB -0.634 41.159 42.059 -0.443 0.000 0.896 723 L HN 0.244 nan 8.230 nan 0.000 0.432 724 V N -0.292 119.670 119.914 0.079 0.000 2.295 724 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 724 V C 2.017 178.146 176.094 0.059 0.000 1.049 724 V CA 1.850 64.219 62.300 0.114 0.000 1.024 724 V CB -0.553 31.337 31.823 0.111 0.000 0.648 724 V HN 0.430 nan 8.190 nan 0.000 0.447 725 D N -0.106 120.311 120.400 0.029 0.000 2.263 725 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 725 D C 1.748 178.060 176.300 0.021 0.000 0.971 725 D CA 1.028 55.039 54.000 0.019 0.000 0.867 725 D CB 0.095 40.899 40.800 0.006 0.000 0.929 725 D HN 0.387 nan 8.370 nan 0.000 0.492 726 V N -0.627 119.299 119.914 0.021 0.000 3.578 726 V HA 0.240 4.360 4.120 -0.000 0.000 0.290 726 V C 1.211 177.332 176.094 0.046 0.000 1.376 726 V CA 0.530 62.846 62.300 0.027 0.000 1.083 726 V CB 0.373 32.206 31.823 0.017 0.000 0.911 726 V HN 0.293 nan 8.190 nan 0.000 0.433 727 G N 1.188 110.023 108.800 0.060 0.000 2.291 727 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.271 727 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.271 727 G C -0.138 174.826 174.900 0.106 0.000 1.099 727 G CA 0.235 45.382 45.100 0.077 0.000 0.919 727 G HN 0.389 nan 8.290 nan 0.000 0.496 728 V N 0.302 120.301 119.914 0.141 0.000 2.398 728 V HA 0.491 4.611 4.120 -0.000 0.000 0.286 728 V C 0.289 176.571 176.094 0.314 0.000 1.026 728 V CA -0.574 61.844 62.300 0.196 0.000 0.868 728 V CB 1.846 33.774 31.823 0.175 0.000 0.982 728 V HN 0.460 nan 8.190 nan 0.000 0.443 729 D N 4.087 124.644 120.400 0.262 0.000 2.264 729 D HA 0.580 5.220 4.640 -0.000 0.000 0.250 729 D C -0.621 175.898 176.300 0.365 0.000 1.113 729 D CA 0.061 54.198 54.000 0.228 0.000 0.871 729 D CB 0.693 41.563 40.800 0.116 0.000 1.167 729 D HN 0.342 nan 8.370 nan 0.000 0.447 730 F N 0.308 120.326 119.950 0.113 0.000 2.715 730 F HA 0.525 5.052 4.527 -0.000 0.000 0.318 730 F C -1.173 174.661 175.800 0.056 0.000 1.141 730 F CA -1.161 56.921 58.000 0.138 0.000 0.950 730 F CB 0.733 39.852 39.000 0.199 0.000 1.374 730 F HN 0.064 nan 8.300 nan 0.000 0.477 731 Q N 1.268 121.092 119.800 0.041 0.000 2.222 731 Q HA 0.794 5.134 4.340 -0.000 0.000 0.252 731 Q C -0.678 175.254 176.000 -0.114 0.000 0.926 731 Q CA -0.681 55.059 55.803 -0.105 0.000 0.899 731 Q CB 2.026 30.717 28.738 -0.078 0.000 1.250 731 Q HN 1.033 nan 8.270 nan 0.000 0.441 732 A N 1.696 124.432 122.820 -0.140 0.000 2.532 732 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 732 A C -1.266 176.248 177.584 -0.117 0.000 1.143 732 A CA -0.576 51.419 52.037 -0.069 0.000 0.728 732 A CB 1.981 20.974 19.000 -0.012 0.000 1.317 732 A HN 0.598 nan 8.150 nan 0.000 0.414 733 M N 0.772 120.297 119.600 -0.125 0.000 2.431 733 M HA 0.428 4.908 4.480 -0.000 0.000 0.213 733 M C -2.084 174.061 176.300 -0.258 0.000 0.955 733 M CA -0.763 54.319 55.300 -0.363 0.000 0.844 733 M CB 0.542 32.891 32.600 -0.419 0.000 2.440 733 M HN 1.026 nan 8.290 nan 0.000 0.434 734 W N 4.570 125.717 121.300 -0.254 0.000 2.436 734 W HA 0.801 5.460 4.660 -0.000 0.000 0.347 734 W C -1.815 174.463 176.519 -0.403 0.000 1.136 734 W CA -0.710 56.580 57.345 -0.093 0.000 1.286 734 W CB 0.415 29.874 29.460 -0.002 0.000 1.253 734 W HN 0.628 nan 8.180 nan 0.000 0.617 735 Y N 2.356 122.811 120.300 0.258 0.000 2.646 735 Y HA 0.231 4.781 4.550 -0.000 0.000 0.334 735 Y C 0.723 176.740 175.900 0.195 0.000 1.004 735 Y CA -1.239 56.917 58.100 0.094 0.000 1.301 735 Y CB 1.009 39.490 38.460 0.036 0.000 1.093 735 Y HN 0.645 nan 8.280 nan 0.000 0.530 736 T N 2.652 117.408 114.554 0.336 0.000 2.800 736 T HA -0.008 4.342 4.350 -0.000 0.000 0.283 736 T C 0.493 175.269 174.700 0.127 0.000 0.999 736 T CA 0.957 63.164 62.100 0.178 0.000 1.176 736 T CB -0.104 68.798 68.868 0.057 0.000 0.973 736 T HN 0.789 nan 8.240 nan 0.000 0.519 737 D N 1.634 122.104 120.400 0.116 0.000 3.077 737 D HA -0.107 4.532 4.640 -0.000 0.000 0.212 737 D C -0.103 176.348 176.300 0.252 0.000 1.125 737 D CA 1.019 55.059 54.000 0.066 0.000 0.970 737 D CB -0.675 39.968 40.800 -0.261 0.000 1.110 737 D HN 0.699 nan 8.370 nan 0.000 0.419 738 E N 0.833 121.191 120.200 0.263 0.000 2.204 738 E HA 0.345 4.695 4.350 -0.000 0.000 0.276 738 E C 0.665 177.450 176.600 0.309 0.000 0.974 738 E CA -0.417 56.147 56.400 0.274 0.000 0.815 738 E CB 1.524 31.362 29.700 0.230 0.000 1.119 738 E HN 0.272 nan 8.360 nan 0.000 0.393 739 D N -0.067 120.525 120.400 0.320 0.000 2.446 739 D HA -0.029 4.611 4.640 -0.000 0.000 0.288 739 D C 1.094 177.632 176.300 0.397 0.000 1.195 739 D CA -0.086 54.120 54.000 0.345 0.000 1.095 739 D CB -0.173 40.846 40.800 0.365 0.000 1.153 739 D HN 0.398 nan 8.370 nan 0.000 0.568 740 H N -1.616 117.632 119.070 0.297 0.000 2.518 740 H HA 0.121 4.676 4.556 -0.000 0.000 0.289 740 H C 1.845 177.440 175.328 0.444 0.000 1.051 740 H CA 1.744 57.996 56.048 0.341 0.000 1.280 740 H CB -0.376 29.568 29.762 0.303 0.000 1.380 740 H HN 0.477 nan 8.280 nan 0.000 0.566 741 G N -0.319 108.692 108.800 0.352 0.000 2.539 741 G HA2 0.014 3.974 3.960 -0.000 0.000 0.215 741 G HA3 0.014 3.974 3.960 -0.000 0.000 0.215 741 G C 0.652 175.758 174.900 0.344 0.000 1.141 741 G CA 0.276 45.515 45.100 0.231 0.000 0.806 741 G HN 0.493 nan 8.290 nan 0.000 0.533 742 I N 0.228 121.004 120.570 0.343 0.000 6.313 742 I HA -0.314 3.856 4.170 -0.000 0.000 0.126 742 I C 1.398 177.654 176.117 0.231 0.000 1.598 742 I CA 0.153 61.602 61.300 0.248 0.000 2.457 742 I CB -1.238 36.900 38.000 0.229 0.000 3.027 742 I HN 0.258 nan 8.210 nan 0.000 0.280 743 A N 1.348 124.267 122.820 0.164 0.000 2.390 743 A HA 0.308 4.628 4.320 -0.000 0.000 0.232 743 A C 1.113 178.741 177.584 0.074 0.000 1.233 743 A CA 0.538 52.629 52.037 0.091 0.000 0.907 743 A CB 0.191 19.209 19.000 0.031 0.000 0.967 743 A HN 0.644 nan 8.150 nan 0.000 0.512 744 S N -0.230 115.532 115.700 0.104 0.000 2.562 744 S HA 0.178 4.648 4.470 -0.000 0.000 0.281 744 S C 1.219 175.878 174.600 0.097 0.000 1.333 744 S CA 0.384 58.641 58.200 0.094 0.000 1.052 744 S CB 1.127 64.389 63.200 0.105 0.000 0.884 744 S HN 0.517 nan 8.310 nan 0.000 0.506 745 S N 2.864 118.609 115.700 0.075 0.000 2.380 745 S HA -0.241 4.229 4.470 -0.000 0.000 0.229 745 S C 2.119 176.783 174.600 0.106 0.000 1.050 745 S CA 2.667 60.915 58.200 0.080 0.000 1.100 745 S CB -1.678 61.551 63.200 0.050 0.000 0.984 745 S HN 1.088 nan 8.310 nan 0.000 0.434 746 T N 0.035 114.641 114.554 0.086 0.000 2.708 746 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 746 T C 2.001 176.765 174.700 0.108 0.000 1.037 746 T CA 1.557 63.710 62.100 0.089 0.000 1.146 746 T CB -1.081 67.832 68.868 0.075 0.000 0.865 746 T HN 0.524 nan 8.240 nan 0.000 0.435 747 A N 1.523 124.388 122.820 0.076 0.000 1.898 747 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 747 A C 2.209 179.777 177.584 -0.027 0.000 1.181 747 A CA 2.064 54.087 52.037 -0.024 0.000 0.620 747 A CB -1.256 17.683 19.000 -0.100 0.000 0.819 747 A HN 0.758 nan 8.150 nan 0.000 0.442 748 H N 0.193 119.259 119.070 -0.006 0.000 2.289 748 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 748 H C 2.056 177.449 175.328 0.108 0.000 1.091 748 H CA 2.428 58.520 56.048 0.074 0.000 1.274 748 H CB -0.291 29.506 29.762 0.058 0.000 1.364 748 H HN 0.585 nan 8.280 nan 0.000 0.490 749 Q N -1.216 118.552 119.800 -0.054 0.000 2.224 749 Q HA -0.161 4.179 4.340 -0.000 0.000 0.203 749 Q C 2.046 178.007 176.000 -0.065 0.000 0.970 749 Q CA 1.102 56.824 55.803 -0.136 0.000 0.865 749 Q CB -0.070 28.637 28.738 -0.052 0.000 0.922 749 Q HN 0.635 nan 8.270 nan 0.000 0.445 750 H N 0.863 119.897 119.070 -0.060 0.000 2.372 750 H HA 0.014 4.570 4.556 -0.000 0.000 0.301 750 H C 1.920 177.249 175.328 0.002 0.000 1.065 750 H CA 0.976 57.024 56.048 -0.000 0.000 1.364 750 H CB 0.117 29.924 29.762 0.076 0.000 1.406 750 H HN 0.276 nan 8.280 nan 0.000 0.521 751 I N -0.012 120.572 120.570 0.023 0.000 2.353 751 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 751 I C 1.635 177.548 176.117 -0.340 0.000 1.119 751 I CA 1.047 62.284 61.300 -0.105 0.000 1.417 751 I CB -0.233 37.522 38.000 -0.408 0.000 1.078 751 I HN 0.093 nan 8.210 nan 0.000 0.421 752 Y N 0.879 120.978 120.300 -0.335 0.000 2.314 752 Y HA -0.160 4.390 4.550 -0.000 0.000 0.293 752 Y C 2.677 178.340 175.900 -0.395 0.000 1.129 752 Y CA 1.717 59.473 58.100 -0.574 0.000 1.201 752 Y CB -0.621 37.486 38.460 -0.590 0.000 0.999 752 Y HN 0.129 nan 8.280 nan 0.000 0.541 753 T N -1.776 112.693 114.554 -0.143 0.000 2.812 753 T HA -0.193 4.157 4.350 -0.000 0.000 0.264 753 T C 1.535 176.144 174.700 -0.151 0.000 1.042 753 T CA 1.694 63.690 62.100 -0.174 0.000 1.140 753 T CB -0.364 68.397 68.868 -0.179 0.000 0.870 753 T HN 0.379 nan 8.240 nan 0.000 0.445 754 H N 0.940 119.920 119.070 -0.150 0.000 2.353 754 H HA 0.111 4.667 4.556 -0.000 0.000 0.300 754 H C 2.142 177.469 175.328 -0.001 0.000 1.090 754 H CA 1.555 57.593 56.048 -0.016 0.000 1.327 754 H CB -0.238 29.521 29.762 -0.004 0.000 1.383 754 H HN 0.265 nan 8.280 nan 0.000 0.508 755 M N -0.932 118.608 119.600 -0.101 0.000 2.175 755 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 755 M C 2.448 178.856 176.300 0.180 0.000 1.063 755 M CA 1.470 56.711 55.300 -0.099 0.000 1.119 755 M CB -0.005 32.291 32.600 -0.506 0.000 1.377 755 M HN 0.172 nan 8.290 nan 0.000 0.415 756 S N -0.491 115.341 115.700 0.221 0.000 2.353 756 S HA -0.181 4.288 4.470 -0.000 0.000 0.222 756 S C 1.733 176.405 174.600 0.121 0.000 1.035 756 S CA 1.175 59.584 58.200 0.350 0.000 1.025 756 S CB -0.665 62.712 63.200 0.295 0.000 0.902 756 S HN 0.460 nan 8.310 nan 0.000 0.440 757 H N -0.111 119.017 119.070 0.098 0.000 2.319 757 H HA -0.094 4.462 4.556 -0.000 0.000 0.297 757 H C 2.004 177.337 175.328 0.008 0.000 1.097 757 H CA 1.526 57.588 56.048 0.023 0.000 1.285 757 H CB -0.806 28.926 29.762 -0.051 0.000 1.368 757 H HN 0.444 nan 8.280 nan 0.000 0.495 758 F N 1.185 121.117 119.950 -0.030 0.000 2.102 758 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 758 F C 2.349 178.097 175.800 -0.087 0.000 1.105 758 F CA 0.979 58.930 58.000 -0.082 0.000 1.239 758 F CB -0.355 38.568 39.000 -0.128 0.000 0.991 758 F HN -0.036 nan 8.300 nan 0.000 0.474 759 I N 1.199 121.724 120.570 -0.074 0.000 2.163 759 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 759 I C 2.225 178.108 176.117 -0.389 0.000 1.081 759 I CA 1.548 62.632 61.300 -0.360 0.000 1.353 759 I CB -1.333 36.535 38.000 -0.220 0.000 1.054 759 I HN 0.246 nan 8.210 nan 0.000 0.407 760 K N 0.543 120.873 120.400 -0.117 0.000 2.209 760 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 760 K C 1.899 178.486 176.600 -0.021 0.000 1.048 760 K CA 0.883 57.164 56.287 -0.010 0.000 0.940 760 K CB -0.359 32.184 32.500 0.072 0.000 0.729 760 K HN 0.400 nan 8.250 nan 0.000 0.451 761 Q N 1.698 121.449 119.800 -0.081 0.000 2.172 761 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 761 Q C 1.979 177.895 176.000 -0.140 0.000 0.964 761 Q CA 1.415 57.169 55.803 -0.082 0.000 0.855 761 Q CB -0.241 28.447 28.738 -0.083 0.000 0.918 761 Q HN 0.407 nan 8.270 nan 0.000 0.444 762 c N -0.033 118.387 118.600 -0.300 0.000 2.514 762 c HA 0.120 4.690 4.570 -0.000 0.000 0.271 762 c C 1.918 176.033 174.090 0.041 0.000 1.399 762 c CA -0.164 56.001 56.329 -0.273 0.000 1.765 762 c CB -0.987 41.173 42.510 -0.583 0.000 1.893 762 c HN 0.483 nan 8.230 nan 0.000 0.531 763 F N 1.060 120.959 119.950 -0.084 0.000 2.390 763 F HA 0.310 4.837 4.527 -0.000 0.000 0.281 763 F C 1.999 177.777 175.800 -0.035 0.000 1.016 763 F CA 0.221 58.193 58.000 -0.046 0.000 1.286 763 F CB -1.383 37.596 39.000 -0.036 0.000 1.134 763 F HN -0.012 nan 8.300 nan 0.000 0.597 764 S N 0.000 115.806 115.700 0.176 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.251 58.200 0.085 0.000 1.107 764 S CB 0.000 63.241 63.200 0.068 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517