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 3hac_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.735 174.700 0.059 0.000 1.109 39 T CA 0.000 62.126 62.100 0.043 0.000 1.349 39 T CB 0.000 68.888 68.868 0.034 0.000 0.612 40 R N 3.442 123.987 120.500 0.074 0.000 2.560 40 R HA 0.549 4.890 4.340 0.001 0.000 0.270 40 R C 0.473 176.831 176.300 0.096 0.000 1.074 40 R CA -0.979 55.171 56.100 0.083 0.000 1.140 40 R CB 0.754 31.105 30.300 0.084 0.000 1.073 40 R HN 0.747 nan 8.270 nan 0.000 0.527 41 K N 0.612 121.074 120.400 0.103 0.000 2.187 41 K HA 0.095 4.416 4.320 0.001 0.000 0.247 41 K C -0.105 176.573 176.600 0.130 0.000 1.019 41 K CA -0.335 56.022 56.287 0.117 0.000 0.893 41 K CB 0.270 32.849 32.500 0.131 0.000 1.025 41 K HN 0.798 nan 8.250 nan 0.000 0.500 42 T N -2.451 112.189 114.554 0.144 0.000 2.923 42 T HA 0.177 4.527 4.350 0.001 0.000 0.281 42 T C -0.704 174.131 174.700 0.226 0.000 0.995 42 T CA -0.813 61.387 62.100 0.166 0.000 0.985 42 T CB 0.568 69.530 68.868 0.158 0.000 1.114 42 T HN 0.529 nan 8.240 nan 0.000 0.548 43 Y N 2.352 122.725 120.300 0.122 0.000 2.452 43 Y HA 0.402 4.953 4.550 0.001 0.000 0.348 43 Y C 0.869 176.934 175.900 0.274 0.000 0.985 43 Y CA -0.291 57.918 58.100 0.182 0.000 1.214 43 Y CB -0.005 38.519 38.460 0.106 0.000 1.136 43 Y HN 1.028 nan 8.280 nan 0.000 0.523 44 T N 2.333 116.893 114.554 0.010 0.000 2.897 44 T HA 0.171 4.522 4.350 0.001 0.000 0.278 44 T C 0.829 175.462 174.700 -0.113 0.000 0.981 44 T CA -0.755 61.409 62.100 0.106 0.000 0.973 44 T CB 1.282 70.176 68.868 0.043 0.000 1.092 44 T HN 0.675 nan 8.240 nan 0.000 0.543 45 L N 0.755 121.744 121.223 -0.391 0.000 2.093 45 L HA 0.062 4.403 4.340 0.001 0.000 0.208 45 L C 2.585 179.311 176.870 -0.241 0.000 1.085 45 L CA 2.069 56.520 54.840 -0.649 0.000 0.755 45 L CB -1.401 40.133 42.059 -0.875 0.000 0.904 45 L HN 0.947 nan 8.230 nan 0.000 0.435 46 T N -0.435 114.008 114.554 -0.185 0.000 2.746 46 T HA -0.162 4.188 4.350 0.001 0.000 0.267 46 T C 1.470 176.079 174.700 -0.152 0.000 1.039 46 T CA 1.470 63.490 62.100 -0.133 0.000 1.142 46 T CB -0.394 68.418 68.868 -0.093 0.000 0.866 46 T HN 0.399 nan 8.240 nan 0.000 0.444 47 D N 0.261 120.537 120.400 -0.207 0.000 2.116 47 D HA -0.117 4.524 4.640 0.001 0.000 0.193 47 D C 1.749 177.927 176.300 -0.203 0.000 0.998 47 D CA 1.155 54.988 54.000 -0.279 0.000 0.836 47 D CB -0.457 40.063 40.800 -0.467 0.000 0.951 47 D HN 0.447 nan 8.370 nan 0.000 0.449 48 Y N 1.400 121.513 120.300 -0.311 0.000 2.145 48 Y HA -0.119 4.431 4.550 0.001 0.000 0.286 48 Y C 2.192 178.100 175.900 0.013 0.000 1.145 48 Y CA 1.268 59.366 58.100 -0.003 0.000 1.148 48 Y CB -0.563 37.974 38.460 0.128 0.000 0.981 48 Y HN -0.086 nan 8.280 nan 0.000 0.507 49 L N -0.041 121.016 121.223 -0.276 0.000 2.156 49 L HA -0.132 4.209 4.340 0.001 0.000 0.208 49 L C 1.717 178.479 176.870 -0.180 0.000 1.095 49 L CA 1.175 55.829 54.840 -0.310 0.000 0.770 49 L CB -0.369 41.583 42.059 -0.179 0.000 0.914 49 L HN 0.068 nan 8.230 nan 0.000 0.439 50 K N -0.076 120.241 120.400 -0.139 0.000 2.387 50 K HA 0.141 4.462 4.320 0.001 0.000 0.198 50 K C 0.039 176.583 176.600 -0.093 0.000 1.022 50 K CA -0.117 56.108 56.287 -0.103 0.000 1.128 50 K CB -0.058 32.387 32.500 -0.093 0.000 0.853 50 K HN 0.242 nan 8.250 nan 0.000 0.523 51 N N 1.341 119.992 118.700 -0.082 0.000 2.727 51 N HA -0.167 4.574 4.740 0.001 0.000 0.249 51 N C 0.311 175.796 175.510 -0.041 0.000 1.048 51 N CA 0.953 53.993 53.050 -0.017 0.000 0.714 51 N CB -1.365 37.109 38.487 -0.020 0.000 0.959 51 N HN 0.186 nan 8.380 nan 0.000 0.544 52 T N -1.026 113.449 114.554 -0.132 0.000 2.720 52 T HA -0.182 4.168 4.350 0.001 0.000 0.268 52 T C 0.520 174.983 174.700 -0.395 0.000 1.037 52 T CA 1.398 63.294 62.100 -0.341 0.000 1.144 52 T CB -0.127 68.391 68.868 -0.583 0.000 0.864 52 T HN 0.364 nan 8.240 nan 0.000 0.444 53 Y N 1.465 121.852 120.300 0.145 0.000 2.478 53 Y HA 0.505 5.056 4.550 0.001 0.000 0.329 53 Y C 0.385 176.393 175.900 0.181 0.000 0.967 53 Y CA -1.056 57.157 58.100 0.188 0.000 1.255 53 Y CB 0.514 39.148 38.460 0.290 0.000 1.103 53 Y HN -0.154 nan 8.280 nan 0.000 0.497 54 R N 2.546 123.185 120.500 0.232 0.000 2.346 54 R HA 0.436 4.777 4.340 0.001 0.000 0.311 54 R C -1.094 175.312 176.300 0.177 0.000 0.983 54 R CA -1.075 55.129 56.100 0.173 0.000 0.880 54 R CB 1.035 31.394 30.300 0.098 0.000 1.100 54 R HN 0.437 nan 8.270 nan 0.000 0.453 55 L N 3.721 125.053 121.223 0.181 0.000 2.410 55 L HA 0.129 4.470 4.340 0.001 0.000 0.273 55 L C 0.326 177.276 176.870 0.132 0.000 1.144 55 L CA 0.633 55.574 54.840 0.169 0.000 0.863 55 L CB 0.364 42.539 42.059 0.194 0.000 1.140 55 L HN 0.381 nan 8.230 nan 0.000 0.463 56 K N 3.529 124.003 120.400 0.124 0.000 2.144 56 K HA 0.566 4.887 4.320 0.001 0.000 0.270 56 K C -0.787 175.868 176.600 0.093 0.000 1.005 56 K CA -0.710 55.632 56.287 0.092 0.000 0.932 56 K CB 1.185 33.733 32.500 0.081 0.000 1.021 56 K HN 0.241 nan 8.250 nan 0.000 0.462 57 L N 1.289 122.496 121.223 -0.026 0.000 2.260 57 L HA 0.439 4.780 4.340 0.001 0.000 0.265 57 L C -0.971 175.621 176.870 -0.462 0.000 1.015 57 L CA -0.675 54.014 54.840 -0.252 0.000 0.826 57 L CB 0.560 42.575 42.059 -0.073 0.000 1.373 57 L HN 0.491 nan 8.230 nan 0.000 0.450 58 Y N -0.071 119.645 120.300 -0.975 0.000 2.484 58 Y HA 0.412 4.963 4.550 0.001 0.000 0.348 58 Y C -0.748 174.964 175.900 -0.313 0.000 1.103 58 Y CA -0.381 57.386 58.100 -0.556 0.000 1.317 58 Y CB 1.224 39.227 38.460 -0.761 0.000 1.096 58 Y HN 0.470 nan 8.280 nan 0.000 0.568 59 S N 6.107 121.735 115.700 -0.121 0.000 2.400 59 S HA 0.456 4.927 4.470 0.001 0.000 0.295 59 S C -0.554 174.013 174.600 -0.055 0.000 1.113 59 S CA -0.545 57.622 58.200 -0.056 0.000 1.064 59 S CB -0.317 62.860 63.200 -0.037 0.000 0.990 59 S HN 0.567 nan 8.310 nan 0.000 0.502 60 L N 1.800 122.947 121.223 -0.125 0.000 2.313 60 L HA 0.786 5.127 4.340 0.001 0.000 0.268 60 L C -0.196 176.579 176.870 -0.159 0.000 1.010 60 L CA -0.836 53.881 54.840 -0.204 0.000 0.814 60 L CB 0.777 42.412 42.059 -0.707 0.000 1.304 60 L HN 0.315 nan 8.230 nan 0.000 0.441 61 R N 0.760 121.202 120.500 -0.096 0.000 2.468 61 R HA 0.338 4.679 4.340 0.001 0.000 0.302 61 R C -1.737 174.584 176.300 0.034 0.000 1.041 61 R CA -0.309 55.789 56.100 -0.003 0.000 0.899 61 R CB 1.026 31.359 30.300 0.056 0.000 1.167 61 R HN 0.671 nan 8.270 nan 0.000 0.483 62 W N 4.189 125.576 121.300 0.145 0.000 2.251 62 W HA 0.098 4.759 4.660 0.001 0.000 0.327 62 W C 1.549 178.134 176.519 0.109 0.000 1.361 62 W CA -0.354 57.086 57.345 0.158 0.000 1.234 62 W CB 0.465 30.018 29.460 0.156 0.000 1.212 62 W HN 0.654 nan 8.180 nan 0.000 0.557 63 I N 0.360 121.128 120.570 0.330 0.000 4.154 63 I HA 0.333 4.504 4.170 0.001 0.000 0.334 63 I C 0.580 176.793 176.117 0.159 0.000 1.371 63 I CA -0.131 61.269 61.300 0.167 0.000 1.110 63 I CB -0.123 37.896 38.000 0.030 0.000 1.085 63 I HN 0.255 nan 8.210 nan 0.000 0.398 64 S N 0.365 116.203 115.700 0.229 0.000 2.714 64 S HA 0.177 4.647 4.470 0.001 0.000 0.280 64 S C -0.093 174.643 174.600 0.227 0.000 1.200 64 S CA 0.018 58.331 58.200 0.189 0.000 0.900 64 S CB 0.663 63.937 63.200 0.124 0.000 1.235 64 S HN 0.268 nan 8.310 nan 0.000 0.512 65 D N 0.366 120.914 120.400 0.247 0.000 2.347 65 D HA -0.067 4.574 4.640 0.001 0.000 0.215 65 D C 1.145 177.682 176.300 0.396 0.000 0.976 65 D CA 1.443 55.581 54.000 0.229 0.000 0.884 65 D CB -0.571 40.353 40.800 0.208 0.000 0.915 65 D HN 0.845 nan 8.370 nan 0.000 0.526 66 H N -1.557 117.688 119.070 0.291 0.000 3.535 66 H HA 0.426 4.983 4.556 0.001 0.000 0.260 66 H C -0.346 175.128 175.328 0.244 0.000 1.173 66 H CA -0.318 55.898 56.048 0.281 0.000 1.168 66 H CB 0.689 30.592 29.762 0.235 0.000 1.568 66 H HN 0.020 nan 8.280 nan 0.000 0.602 67 E N 0.707 120.939 120.200 0.054 0.000 2.383 67 E HA 0.397 4.748 4.350 0.001 0.000 0.275 67 E C -1.694 175.032 176.600 0.210 0.000 0.918 67 E CA -1.149 55.237 56.400 -0.024 0.000 0.764 67 E CB 3.103 32.621 29.700 -0.304 0.000 1.252 67 E HN 0.273 nan 8.360 nan 0.000 0.449 68 Y N -0.601 119.678 120.300 -0.035 0.000 2.609 68 Y HA 0.658 5.208 4.550 0.001 0.000 0.342 68 Y C -1.591 174.274 175.900 -0.058 0.000 1.058 68 Y CA -1.297 56.703 58.100 -0.167 0.000 1.055 68 Y CB 0.878 38.926 38.460 -0.687 0.000 1.292 68 Y HN 0.321 nan 8.280 nan 0.000 0.476 69 L N 2.979 124.294 121.223 0.154 0.000 2.322 69 L HA 0.480 4.821 4.340 0.001 0.000 0.279 69 L C -1.384 175.680 176.870 0.323 0.000 1.036 69 L CA -0.954 53.960 54.840 0.124 0.000 0.807 69 L CB 1.519 43.572 42.059 -0.011 0.000 1.226 69 L HN 0.781 nan 8.230 nan 0.000 0.433 70 Y N 2.785 123.183 120.300 0.164 0.000 2.362 70 Y HA 0.285 4.836 4.550 0.001 0.000 0.326 70 Y C -0.622 175.316 175.900 0.064 0.000 1.083 70 Y CA -1.125 57.021 58.100 0.077 0.000 1.073 70 Y CB 1.495 39.991 38.460 0.059 0.000 1.211 70 Y HN 0.430 nan 8.280 nan 0.000 0.433 71 K N 5.139 125.236 120.400 -0.505 0.000 2.316 71 K HA 0.261 4.582 4.320 0.001 0.000 0.289 71 K C -0.976 175.243 176.600 -0.635 0.000 1.070 71 K CA -0.214 55.828 56.287 -0.409 0.000 0.928 71 K CB 0.616 32.983 32.500 -0.221 0.000 1.039 71 K HN 0.826 nan 8.250 nan 0.000 0.480 72 Q N 3.498 123.111 119.800 -0.311 0.000 2.274 72 Q HA 0.103 4.443 4.340 0.001 0.000 0.268 72 Q C -1.219 174.731 176.000 -0.083 0.000 1.015 72 Q CA -0.261 55.436 55.803 -0.177 0.000 0.775 72 Q CB 1.218 29.981 28.738 0.042 0.000 1.256 72 Q HN 0.700 nan 8.270 nan 0.000 0.442 73 E N 3.096 123.253 120.200 -0.071 0.000 2.476 73 E HA -0.347 4.003 4.350 0.001 0.000 0.251 73 E C -0.379 176.187 176.600 -0.058 0.000 1.130 73 E CA 0.557 56.929 56.400 -0.047 0.000 0.736 73 E CB -0.979 28.708 29.700 -0.022 0.000 1.298 73 E HN 0.888 nan 8.360 nan 0.000 0.400 74 N N -1.468 117.186 118.700 -0.077 0.000 2.900 74 N HA -0.195 4.545 4.740 0.001 0.000 0.240 74 N C -0.612 174.846 175.510 -0.087 0.000 0.953 74 N CA 1.453 54.458 53.050 -0.076 0.000 0.950 74 N CB -1.084 37.373 38.487 -0.051 0.000 1.102 74 N HN 0.474 nan 8.380 nan 0.000 0.593 75 N N 0.846 119.494 118.700 -0.086 0.000 2.456 75 N HA 0.339 5.080 4.740 0.001 0.000 0.288 75 N C 0.100 175.558 175.510 -0.088 0.000 1.059 75 N CA -0.310 52.691 53.050 -0.082 0.000 0.946 75 N CB 1.264 39.715 38.487 -0.061 0.000 1.150 75 N HN 0.123 nan 8.380 nan 0.000 0.479 76 I N 3.193 123.713 120.570 -0.083 0.000 2.352 76 I HA 0.189 4.360 4.170 0.001 0.000 0.290 76 I C 0.046 176.190 176.117 0.045 0.000 1.036 76 I CA -0.220 61.050 61.300 -0.051 0.000 1.336 76 I CB 0.514 38.457 38.000 -0.094 0.000 1.407 76 I HN 0.237 nan 8.210 nan 0.000 0.497 77 L N 6.736 127.992 121.223 0.055 0.000 2.334 77 L HA 0.622 4.963 4.340 0.001 0.000 0.272 77 L C -0.492 176.373 176.870 -0.009 0.000 1.020 77 L CA -1.022 53.822 54.840 0.006 0.000 0.812 77 L CB 2.020 44.047 42.059 -0.054 0.000 1.264 77 L HN 0.217 nan 8.230 nan 0.000 0.439 78 V N 1.744 121.576 119.914 -0.136 0.000 2.417 78 V HA 0.426 4.546 4.120 0.001 0.000 0.291 78 V C -0.645 175.211 176.094 -0.396 0.000 1.024 78 V CA -0.350 61.844 62.300 -0.176 0.000 0.861 78 V CB 1.568 33.338 31.823 -0.088 0.000 0.985 78 V HN 0.367 nan 8.190 nan 0.000 0.436 79 F N 3.271 122.912 119.950 -0.515 0.000 2.443 79 F HA 0.422 4.949 4.527 0.001 0.000 0.335 79 F C 0.662 176.168 175.800 -0.491 0.000 1.104 79 F CA -0.468 57.164 58.000 -0.612 0.000 1.013 79 F CB 1.359 39.635 39.000 -1.208 0.000 1.136 79 F HN 0.415 nan 8.300 nan 0.000 0.470 80 N N 2.188 120.831 118.700 -0.095 0.000 2.430 80 N HA 0.181 4.922 4.740 0.001 0.000 0.265 80 N C 0.515 176.006 175.510 -0.031 0.000 1.100 80 N CA 0.166 53.209 53.050 -0.013 0.000 0.961 80 N CB 1.684 40.228 38.487 0.095 0.000 1.075 80 N HN 0.834 nan 8.380 nan 0.000 0.478 81 A N 3.920 126.671 122.820 -0.114 0.000 1.898 81 A HA -0.166 4.154 4.320 0.001 0.000 0.216 81 A C 1.899 179.266 177.584 -0.362 0.000 1.181 81 A CA 1.417 53.297 52.037 -0.262 0.000 0.620 81 A CB -0.467 18.162 19.000 -0.619 0.000 0.819 81 A HN 0.788 nan 8.150 nan 0.000 0.442 82 E N -0.942 119.030 120.200 -0.380 0.000 2.077 82 E HA -0.175 4.176 4.350 0.001 0.000 0.193 82 E C 1.381 177.742 176.600 -0.398 0.000 0.989 82 E CA 1.881 58.076 56.400 -0.341 0.000 0.800 82 E CB -0.362 29.072 29.700 -0.443 0.000 0.746 82 E HN 0.770 nan 8.360 nan 0.000 0.452 83 Y N -2.465 117.848 120.300 0.022 0.000 2.483 83 Y HA 0.302 4.853 4.550 0.001 0.000 0.258 83 Y C 1.575 177.490 175.900 0.025 0.000 1.083 83 Y CA 0.016 58.130 58.100 0.025 0.000 1.283 83 Y CB 1.166 39.642 38.460 0.026 0.000 1.178 83 Y HN 0.200 nan 8.280 nan 0.000 0.515 84 G N 1.300 110.197 108.800 0.162 0.000 2.179 84 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 84 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 84 G C -0.047 174.972 174.900 0.198 0.000 0.977 84 G CA 0.235 45.444 45.100 0.181 0.000 0.641 84 G HN 0.450 nan 8.290 nan 0.000 0.533 85 N N 0.659 119.430 118.700 0.119 0.000 2.453 85 N HA 0.500 5.240 4.740 0.001 0.000 0.253 85 N C 0.159 175.580 175.510 -0.149 0.000 1.252 85 N CA 0.806 53.859 53.050 0.006 0.000 0.917 85 N CB 1.340 39.827 38.487 -0.000 0.000 1.117 85 N HN 0.981 nan 8.380 nan 0.000 0.442 86 S N -0.542 114.981 115.700 -0.295 0.000 2.697 86 S HA 0.765 5.235 4.470 0.001 0.000 0.289 86 S C -0.887 173.523 174.600 -0.317 0.000 1.149 86 S CA -0.851 57.023 58.200 -0.544 0.000 0.850 86 S CB 1.552 64.009 63.200 -1.239 0.000 1.151 86 S HN 0.640 nan 8.310 nan 0.000 0.491 87 S N -0.129 115.394 115.700 -0.295 0.000 2.588 87 S HA 0.606 5.076 4.470 0.001 0.000 0.275 87 S C -1.000 173.518 174.600 -0.137 0.000 1.130 87 S CA -0.753 57.348 58.200 -0.165 0.000 0.855 87 S CB 1.624 64.766 63.200 -0.097 0.000 1.116 87 S HN 0.759 nan 8.310 nan 0.000 0.472 88 V N 2.919 122.778 119.914 -0.092 0.000 2.470 88 V HA 0.180 4.301 4.120 0.001 0.000 0.276 88 V C 0.523 176.610 176.094 -0.011 0.000 1.040 88 V CA 0.207 62.473 62.300 -0.057 0.000 1.008 88 V CB -0.000 31.779 31.823 -0.073 0.000 0.990 88 V HN 0.945 nan 8.190 nan 0.000 0.477 89 F N 5.213 125.096 119.950 -0.112 0.000 2.262 89 F HA 0.364 4.892 4.527 0.001 0.000 0.292 89 F C 0.476 176.224 175.800 -0.088 0.000 1.081 89 F CA 0.789 58.735 58.000 -0.090 0.000 1.355 89 F CB 0.565 39.521 39.000 -0.074 0.000 1.069 89 F HN 0.382 nan 8.300 nan 0.000 0.506 90 L N 1.179 122.401 121.223 -0.002 0.000 2.562 90 L HA 0.289 4.630 4.340 0.001 0.000 0.266 90 L C -0.961 175.844 176.870 -0.109 0.000 0.949 90 L CA -0.588 54.186 54.840 -0.109 0.000 0.879 90 L CB 1.628 43.667 42.059 -0.032 0.000 1.278 90 L HN -0.035 nan 8.230 nan 0.000 0.404 91 E N 2.611 122.716 120.200 -0.159 0.000 2.392 91 E HA 0.048 4.399 4.350 0.001 0.000 0.264 91 E C 0.570 177.074 176.600 -0.161 0.000 1.024 91 E CA 0.068 56.380 56.400 -0.148 0.000 0.903 91 E CB 0.761 30.367 29.700 -0.155 0.000 0.963 91 E HN 0.659 nan 8.360 nan 0.000 0.432 92 N N 1.674 120.307 118.700 -0.112 0.000 2.137 92 N HA -0.228 4.513 4.740 0.001 0.000 0.190 92 N C 1.367 176.819 175.510 -0.098 0.000 1.017 92 N CA 1.896 54.895 53.050 -0.085 0.000 0.859 92 N CB -0.518 37.932 38.487 -0.063 0.000 1.002 92 N HN 0.363 nan 8.380 nan 0.000 0.428 93 S N -1.715 113.908 115.700 -0.129 0.000 2.603 93 S HA 0.058 4.529 4.470 0.001 0.000 0.220 93 S C 1.422 175.888 174.600 -0.224 0.000 0.967 93 S CA 0.410 58.532 58.200 -0.131 0.000 0.920 93 S CB -0.736 62.400 63.200 -0.106 0.000 0.773 93 S HN 0.306 nan 8.310 nan 0.000 0.529 94 T N 1.652 115.965 114.554 -0.401 0.000 2.833 94 T HA 0.033 4.383 4.350 0.001 0.000 0.269 94 T C 0.202 174.372 174.700 -0.883 0.000 1.054 94 T CA 1.109 62.761 62.100 -0.745 0.000 1.135 94 T CB -0.436 67.723 68.868 -1.181 0.000 0.869 94 T HN 0.601 nan 8.240 nan 0.000 0.466 95 F N 0.997 120.833 119.950 -0.191 0.000 2.923 95 F HA 0.380 4.908 4.527 0.001 0.000 0.314 95 F C 1.050 176.836 175.800 -0.024 0.000 1.196 95 F CA -1.239 56.682 58.000 -0.133 0.000 1.320 95 F CB -0.092 38.736 39.000 -0.286 0.000 0.953 95 F HN -0.076 nan 8.300 nan 0.000 0.505 96 D N 0.738 121.163 120.400 0.041 0.000 2.117 96 D HA -0.147 4.494 4.640 0.001 0.000 0.197 96 D C 1.618 177.952 176.300 0.057 0.000 0.987 96 D CA 1.475 55.496 54.000 0.034 0.000 0.829 96 D CB 0.149 40.939 40.800 -0.017 0.000 0.961 96 D HN 0.272 nan 8.370 nan 0.000 0.460 97 E N -0.914 119.327 120.200 0.067 0.000 2.465 97 E HA 0.084 4.435 4.350 0.001 0.000 0.191 97 E C 1.057 177.701 176.600 0.073 0.000 1.053 97 E CA -0.335 56.093 56.400 0.046 0.000 0.869 97 E CB -0.201 29.512 29.700 0.022 0.000 0.977 97 E HN 0.152 nan 8.360 nan 0.000 0.483 98 F N 0.613 120.562 119.950 -0.001 0.000 2.120 98 F HA -0.130 4.398 4.527 0.001 0.000 0.300 98 F C 1.887 177.582 175.800 -0.176 0.000 1.095 98 F CA 2.101 60.090 58.000 -0.018 0.000 1.249 98 F CB -0.085 38.934 39.000 0.031 0.000 0.995 98 F HN 0.182 nan 8.300 nan 0.000 0.480 99 G N -1.574 107.063 108.800 -0.271 0.000 2.217 99 G HA2 -0.232 3.729 3.960 0.001 0.000 0.246 99 G HA3 -0.232 3.729 3.960 0.001 0.000 0.246 99 G C 0.202 174.667 174.900 -0.725 0.000 0.990 99 G CA 0.266 45.050 45.100 -0.527 0.000 0.627 99 G HN 0.580 nan 8.290 nan 0.000 0.522 100 H N -0.050 118.855 119.070 -0.274 0.000 2.679 100 H HA 0.631 5.187 4.556 0.001 0.000 0.367 100 H C -0.392 174.986 175.328 0.084 0.000 1.162 100 H CA -0.044 55.916 56.048 -0.147 0.000 1.181 100 H CB 1.709 31.203 29.762 -0.446 0.000 1.693 100 H HN 0.133 nan 8.280 nan 0.000 0.538 101 S N 2.006 117.825 115.700 0.198 0.000 2.455 101 S HA 0.198 4.669 4.470 0.001 0.000 0.278 101 S C 0.249 174.954 174.600 0.176 0.000 1.216 101 S CA -0.679 57.611 58.200 0.149 0.000 1.055 101 S CB -0.776 62.484 63.200 0.099 0.000 0.939 101 S HN 0.338 nan 8.310 nan 0.000 0.494 102 I N 5.584 126.219 120.570 0.108 0.000 2.396 102 I HA 0.178 4.348 4.170 0.001 0.000 0.289 102 I C 1.414 177.547 176.117 0.027 0.000 1.056 102 I CA -0.313 61.018 61.300 0.051 0.000 1.365 102 I CB 0.898 38.820 38.000 -0.130 0.000 1.407 102 I HN 0.677 nan 8.210 nan 0.000 0.509 103 N N 3.392 122.108 118.700 0.026 0.000 2.207 103 N HA -0.060 4.681 4.740 0.001 0.000 0.182 103 N C -0.048 175.431 175.510 -0.052 0.000 1.020 103 N CA 1.152 54.172 53.050 -0.050 0.000 0.858 103 N CB 0.377 38.808 38.487 -0.093 0.000 0.991 103 N HN 0.705 nan 8.380 nan 0.000 0.427 104 D N -2.868 117.534 120.400 0.003 0.000 2.725 104 D HA 0.184 4.825 4.640 0.001 0.000 0.292 104 D C -1.772 174.602 176.300 0.123 0.000 1.288 104 D CA -0.534 53.487 54.000 0.035 0.000 0.784 104 D CB 0.658 41.443 40.800 -0.026 0.000 1.308 104 D HN 0.079 nan 8.370 nan 0.000 0.429 105 Y N -1.171 119.150 120.300 0.035 0.000 2.588 105 Y HA 0.756 5.307 4.550 0.001 0.000 0.343 105 Y C -1.290 174.691 175.900 0.136 0.000 1.065 105 Y CA -0.916 57.223 58.100 0.064 0.000 1.038 105 Y CB 1.882 40.356 38.460 0.024 0.000 1.297 105 Y HN 0.164 nan 8.280 nan 0.000 0.467 106 S N 3.064 118.946 115.700 0.303 0.000 2.750 106 S HA 0.562 5.033 4.470 0.001 0.000 0.276 106 S C -1.446 173.482 174.600 0.547 0.000 1.165 106 S CA -0.520 57.859 58.200 0.299 0.000 1.047 106 S CB 0.208 63.576 63.200 0.280 0.000 1.056 106 S HN 0.706 nan 8.310 nan 0.000 0.481 107 I N 4.564 125.366 120.570 0.388 0.000 2.441 107 I HA 0.233 4.403 4.170 0.001 0.000 0.287 107 I C 1.022 177.037 176.117 -0.170 0.000 1.049 107 I CA -0.143 61.292 61.300 0.225 0.000 1.381 107 I CB 1.513 39.629 38.000 0.193 0.000 1.409 107 I HN 0.784 nan 8.210 nan 0.000 0.523 108 S N 6.295 121.593 115.700 -0.670 0.000 2.563 108 S HA 0.114 4.585 4.470 0.001 0.000 0.284 108 S C -1.786 172.528 174.600 -0.476 0.000 1.331 108 S CA -0.901 56.502 58.200 -1.327 0.000 1.047 108 S CB 0.540 62.790 63.200 -1.583 0.000 0.859 108 S HN 0.428 nan 8.310 nan 0.000 0.514 109 P HA -0.121 nan 4.420 nan 0.000 0.218 109 P C 0.761 178.020 177.300 -0.069 0.000 1.148 109 P CA 1.491 64.520 63.100 -0.118 0.000 0.822 109 P CB -0.146 31.509 31.700 -0.075 0.000 0.784 110 D N -2.108 118.249 120.400 -0.073 0.000 2.340 110 D HA 0.077 4.718 4.640 0.001 0.000 0.220 110 D C 1.435 177.736 176.300 0.001 0.000 1.039 110 D CA 0.634 54.631 54.000 -0.005 0.000 0.866 110 D CB -1.067 39.764 40.800 0.051 0.000 0.913 110 D HN 0.202 nan 8.370 nan 0.000 0.523 111 G N 0.365 109.157 108.800 -0.014 0.000 2.184 111 G HA2 -0.399 3.561 3.960 0.001 0.000 0.264 111 G HA3 -0.399 3.561 3.960 0.001 0.000 0.264 111 G C 0.982 175.896 174.900 0.024 0.000 0.975 111 G CA 0.546 45.711 45.100 0.109 0.000 0.642 111 G HN 0.466 nan 8.290 nan 0.000 0.536 112 Q N -1.480 118.223 119.800 -0.162 0.000 2.331 112 Q HA 0.347 4.688 4.340 0.001 0.000 0.203 112 Q C 0.242 175.753 176.000 -0.814 0.000 0.944 112 Q CA 0.698 56.195 55.803 -0.510 0.000 0.892 112 Q CB 0.337 28.675 28.738 -0.667 0.000 0.983 112 Q HN 0.582 nan 8.270 nan 0.000 0.482 113 F N -0.592 119.298 119.950 -0.100 0.000 2.613 113 F HA 0.508 5.036 4.527 0.001 0.000 0.314 113 F C -0.644 175.252 175.800 0.160 0.000 1.075 113 F CA -1.171 56.845 58.000 0.028 0.000 0.945 113 F CB 1.750 40.790 39.000 0.066 0.000 1.310 113 F HN -0.219 nan 8.300 nan 0.000 0.467 114 I N 2.899 123.808 120.570 0.564 0.000 2.466 114 I HA 0.467 4.638 4.170 0.001 0.000 0.289 114 I C -1.747 174.698 176.117 0.546 0.000 1.026 114 I CA -1.047 60.577 61.300 0.540 0.000 1.078 114 I CB 1.420 39.682 38.000 0.436 0.000 1.249 114 I HN 0.528 nan 8.210 nan 0.000 0.429 115 L N 8.258 129.831 121.223 0.584 0.000 2.281 115 L HA 0.411 4.752 4.340 0.001 0.000 0.285 115 L C -1.256 175.770 176.870 0.260 0.000 1.074 115 L CA -0.064 54.992 54.840 0.360 0.000 0.817 115 L CB 0.978 43.163 42.059 0.210 0.000 1.168 115 L HN 0.481 nan 8.230 nan 0.000 0.434 116 L N 5.319 126.645 121.223 0.171 0.000 2.280 116 L HA 0.431 4.772 4.340 0.001 0.000 0.287 116 L C -0.045 176.907 176.870 0.137 0.000 1.023 116 L CA 0.015 54.867 54.840 0.020 0.000 0.819 116 L CB 1.193 43.057 42.059 -0.326 0.000 1.212 116 L HN 0.629 nan 8.230 nan 0.000 0.420 117 E N 4.117 124.360 120.200 0.072 0.000 2.174 117 E HA 0.477 4.828 4.350 0.001 0.000 0.282 117 E C -1.481 175.111 176.600 -0.015 0.000 0.992 117 E CA -0.378 55.930 56.400 -0.153 0.000 0.803 117 E CB 0.834 30.522 29.700 -0.020 0.000 1.090 117 E HN 0.468 nan 8.360 nan 0.000 0.396 118 Y N 1.642 121.785 120.300 -0.261 0.000 2.728 118 Y HA 0.411 4.962 4.550 0.001 0.000 0.330 118 Y C -0.281 175.535 175.900 -0.139 0.000 1.234 118 Y CA -1.541 56.491 58.100 -0.114 0.000 1.070 118 Y CB 0.486 38.950 38.460 0.006 0.000 1.300 118 Y HN 0.474 nan 8.280 nan 0.000 0.467 119 N N -0.104 118.633 118.700 0.062 0.000 2.727 119 N HA -0.307 4.433 4.740 0.001 0.000 0.249 119 N C -1.010 174.482 175.510 -0.029 0.000 1.048 119 N CA 1.068 54.107 53.050 -0.018 0.000 0.714 119 N CB -1.544 36.853 38.487 -0.150 0.000 0.959 119 N HN 0.862 nan 8.380 nan 0.000 0.544 120 Y N 0.007 120.251 120.300 -0.093 0.000 2.632 120 Y HA 0.264 4.814 4.550 0.001 0.000 0.329 120 Y C 0.062 175.937 175.900 -0.042 0.000 1.174 120 Y CA -0.038 58.007 58.100 -0.093 0.000 1.469 120 Y CB 0.698 39.058 38.460 -0.167 0.000 1.242 120 Y HN -0.001 nan 8.280 nan 0.000 0.540 121 V N 7.971 127.556 119.914 -0.549 0.000 2.447 121 V HA 0.192 4.313 4.120 0.001 0.000 0.292 121 V C -0.315 175.401 176.094 -0.630 0.000 1.021 121 V CA -1.424 60.614 62.300 -0.436 0.000 0.850 121 V CB 1.278 32.980 31.823 -0.202 0.000 1.005 121 V HN 0.757 nan 8.190 nan 0.000 0.426 122 K N 3.663 123.706 120.400 -0.594 0.000 2.436 122 K HA 0.169 4.489 4.320 0.001 0.000 0.275 122 K C 0.487 176.928 176.600 -0.265 0.000 0.999 122 K CA 0.289 56.373 56.287 -0.339 0.000 0.980 122 K CB 1.104 33.608 32.500 0.007 0.000 0.919 122 K HN 0.817 nan 8.250 nan 0.000 0.484 123 Q N 3.009 122.631 119.800 -0.295 0.000 2.679 123 Q HA 0.153 4.494 4.340 0.001 0.000 0.255 123 Q C 0.021 175.775 176.000 -0.409 0.000 1.053 123 Q CA -0.248 55.189 55.803 -0.610 0.000 0.620 123 Q CB 0.060 28.266 28.738 -0.888 0.000 3.775 123 Q HN 0.726 nan 8.270 nan 0.000 0.446 124 W N 0.024 121.312 121.300 -0.020 0.000 1.836 124 W HA 0.365 5.026 4.660 0.001 0.000 0.628 124 W C 1.866 178.362 176.519 -0.039 0.000 1.626 124 W CA -0.749 56.606 57.345 0.017 0.000 1.714 124 W CB -0.173 29.252 29.460 -0.057 0.000 3.166 124 W HN 0.262 nan 8.180 nan 0.000 0.772 125 R N -0.577 119.990 120.500 0.112 0.000 2.081 125 R HA -0.149 4.192 4.340 0.001 0.000 0.235 125 R C 1.727 177.865 176.300 -0.269 0.000 1.131 125 R CA 1.785 57.782 56.100 -0.171 0.000 0.960 125 R CB -0.380 29.648 30.300 -0.453 0.000 0.856 125 R HN 0.495 nan 8.270 nan 0.000 0.436 126 H N -1.345 117.797 119.070 0.120 0.000 2.788 126 H HA 0.162 4.719 4.556 0.001 0.000 0.262 126 H C 0.569 175.987 175.328 0.150 0.000 0.968 126 H CA 0.452 56.592 56.048 0.153 0.000 1.218 126 H CB 0.262 30.084 29.762 0.100 0.000 1.443 126 H HN 0.133 nan 8.280 nan 0.000 0.478 127 S N 1.411 117.111 115.700 -0.001 0.000 2.580 127 S HA 0.398 4.868 4.470 0.001 0.000 0.274 127 S C -0.310 174.183 174.600 -0.179 0.000 1.329 127 S CA -0.522 57.390 58.200 -0.480 0.000 1.036 127 S CB 0.686 63.045 63.200 -1.401 0.000 0.919 127 S HN 0.434 nan 8.310 nan 0.000 0.515 128 Y N -2.033 118.160 120.300 -0.179 0.000 2.677 128 Y HA 0.699 5.249 4.550 0.001 0.000 0.334 128 Y C -0.657 175.240 175.900 -0.004 0.000 1.196 128 Y CA -0.969 57.009 58.100 -0.203 0.000 1.059 128 Y CB 0.571 38.842 38.460 -0.315 0.000 1.315 128 Y HN 0.845 nan 8.280 nan 0.000 0.455 129 T N -0.151 114.450 114.554 0.078 0.000 2.940 129 T HA 1.001 5.352 4.350 0.001 0.000 0.288 129 T C -0.489 174.296 174.700 0.142 0.000 1.033 129 T CA -0.147 62.023 62.100 0.118 0.000 1.033 129 T CB 1.722 70.620 68.868 0.051 0.000 1.079 129 T HN 1.789 nan 8.240 nan 0.000 0.496 130 A N 0.933 123.810 122.820 0.095 0.000 2.599 130 A HA 0.758 5.079 4.320 0.001 0.000 0.290 130 A C -0.456 176.903 177.584 -0.374 0.000 1.101 130 A CA -0.982 50.956 52.037 -0.165 0.000 0.674 130 A CB 1.171 20.035 19.000 -0.226 0.000 1.277 130 A HN 0.864 nan 8.150 nan 0.000 0.419 131 S N -0.562 114.695 115.700 -0.737 0.000 2.654 131 S HA 0.782 5.253 4.470 0.001 0.000 0.283 131 S C -1.367 172.519 174.600 -1.190 0.000 1.180 131 S CA -0.033 57.635 58.200 -0.887 0.000 1.021 131 S CB 0.569 63.035 63.200 -1.224 0.000 1.018 131 S HN 0.455 nan 8.310 nan 0.000 0.532 132 Y N -0.018 120.015 120.300 -0.445 0.000 2.492 132 Y HA 0.465 5.015 4.550 0.001 0.000 0.346 132 Y C -0.266 175.653 175.900 0.032 0.000 0.997 132 Y CA -0.889 57.105 58.100 -0.177 0.000 1.025 132 Y CB 1.829 40.149 38.460 -0.234 0.000 1.263 132 Y HN 0.514 nan 8.280 nan 0.000 0.454 133 D N 2.366 122.974 120.400 0.347 0.000 2.527 133 D HA 0.576 5.216 4.640 0.001 0.000 0.233 133 D C -1.023 175.411 176.300 0.225 0.000 1.063 133 D CA -0.356 53.824 54.000 0.300 0.000 0.880 133 D CB 2.795 43.876 40.800 0.468 0.000 1.457 133 D HN 0.399 nan 8.370 nan 0.000 0.475 134 I N 1.607 122.302 120.570 0.209 0.000 2.433 134 I HA 0.262 4.433 4.170 0.001 0.000 0.292 134 I C -0.965 175.372 176.117 0.367 0.000 1.001 134 I CA -0.965 60.493 61.300 0.265 0.000 1.119 134 I CB 1.591 39.688 38.000 0.162 0.000 1.289 134 I HN 0.220 nan 8.210 nan 0.000 0.438 135 Y N 5.409 125.893 120.300 0.307 0.000 2.335 135 Y HA 0.307 4.857 4.550 0.001 0.000 0.338 135 Y C -0.173 175.940 175.900 0.354 0.000 0.977 135 Y CA -0.653 57.638 58.100 0.317 0.000 1.114 135 Y CB 1.163 39.849 38.460 0.377 0.000 1.182 135 Y HN 0.502 nan 8.280 nan 0.000 0.463 136 D N 6.257 126.584 120.400 -0.121 0.000 2.325 136 D HA 0.077 4.718 4.640 0.001 0.000 0.251 136 D C 0.625 176.649 176.300 -0.461 0.000 1.196 136 D CA 0.344 54.235 54.000 -0.182 0.000 0.866 136 D CB 1.050 41.788 40.800 -0.103 0.000 1.101 136 D HN 0.881 nan 8.370 nan 0.000 0.476 137 L N 3.712 124.738 121.223 -0.329 0.000 2.240 137 L HA -0.085 4.255 4.340 0.001 0.000 0.211 137 L C 1.993 178.705 176.870 -0.264 0.000 1.106 137 L CA 0.366 55.081 54.840 -0.209 0.000 0.793 137 L CB -0.166 41.785 42.059 -0.181 0.000 0.927 137 L HN 0.357 nan 8.230 nan 0.000 0.446 138 N N 0.971 119.477 118.700 -0.322 0.000 2.207 138 N HA -0.133 4.608 4.740 0.001 0.000 0.182 138 N C 1.583 176.972 175.510 -0.201 0.000 1.020 138 N CA 1.144 54.047 53.050 -0.245 0.000 0.858 138 N CB -0.082 38.258 38.487 -0.244 0.000 0.991 138 N HN 0.458 nan 8.380 nan 0.000 0.427 139 K N 0.831 121.098 120.400 -0.221 0.000 2.404 139 K HA 0.176 4.496 4.320 0.001 0.000 0.194 139 K C -0.317 176.160 176.600 -0.205 0.000 1.023 139 K CA -0.180 56.003 56.287 -0.174 0.000 1.094 139 K CB 0.477 32.898 32.500 -0.133 0.000 0.841 139 K HN -0.222 nan 8.250 nan 0.000 0.523 140 R N 1.075 121.398 120.500 -0.295 0.000 3.264 140 R HA -0.171 4.169 4.340 0.001 0.000 0.251 140 R C -1.121 174.964 176.300 -0.358 0.000 0.971 140 R CA 0.817 56.745 56.100 -0.287 0.000 0.658 140 R CB -2.630 27.630 30.300 -0.066 0.000 1.095 140 R HN 0.673 nan 8.270 nan 0.000 0.443 141 Q N -0.355 119.020 119.800 -0.707 0.000 2.353 141 Q HA 0.447 4.787 4.340 0.001 0.000 0.275 141 Q C -0.346 175.480 176.000 -0.290 0.000 1.029 141 Q CA -0.950 54.662 55.803 -0.319 0.000 0.848 141 Q CB 2.290 30.955 28.738 -0.122 0.000 1.390 141 Q HN 0.202 nan 8.270 nan 0.000 0.401 142 L N 2.711 124.019 121.223 0.143 0.000 2.490 142 L HA 0.138 4.479 4.340 0.001 0.000 0.274 142 L C -0.166 176.788 176.870 0.140 0.000 1.201 142 L CA 0.026 55.032 54.840 0.278 0.000 0.869 142 L CB 0.204 42.486 42.059 0.371 0.000 1.123 142 L HN 0.503 nan 8.230 nan 0.000 0.484 143 I N 2.263 122.919 120.570 0.144 0.000 2.471 143 I HA -0.006 4.164 4.170 0.001 0.000 0.286 143 I C 1.296 177.460 176.117 0.079 0.000 1.079 143 I CA 0.486 61.839 61.300 0.088 0.000 1.398 143 I CB 1.378 39.417 38.000 0.065 0.000 1.403 143 I HN 0.688 nan 8.210 nan 0.000 0.530 144 T N 0.952 115.535 114.554 0.049 0.000 3.001 144 T HA 0.257 4.607 4.350 0.001 0.000 0.251 144 T C 0.536 175.237 174.700 0.002 0.000 1.040 144 T CA -0.263 61.857 62.100 0.034 0.000 0.985 144 T CB 0.056 68.944 68.868 0.033 0.000 1.011 144 T HN 0.346 nan 8.240 nan 0.000 0.509 145 E N 2.355 122.552 120.200 -0.005 0.000 2.266 145 E HA 0.260 4.611 4.350 0.001 0.000 0.277 145 E C 0.007 176.577 176.600 -0.050 0.000 1.018 145 E CA -0.313 56.072 56.400 -0.026 0.000 0.840 145 E CB 0.618 30.306 29.700 -0.019 0.000 1.082 145 E HN 0.232 nan 8.360 nan 0.000 0.395 146 E N 0.885 121.042 120.200 -0.071 0.000 2.297 146 E HA -0.245 4.105 4.350 0.001 0.000 0.228 146 E C -0.446 176.071 176.600 -0.139 0.000 1.213 146 E CA 0.635 56.972 56.400 -0.103 0.000 0.712 146 E CB -1.355 28.292 29.700 -0.089 0.000 1.202 146 E HN 0.449 nan 8.360 nan 0.000 0.376 147 R N -0.207 120.206 120.500 -0.145 0.000 2.694 147 R HA 0.274 4.614 4.340 0.001 0.000 0.268 147 R C 1.140 177.251 176.300 -0.315 0.000 1.061 147 R CA -0.291 55.705 56.100 -0.174 0.000 1.133 147 R CB 0.442 30.673 30.300 -0.113 0.000 1.020 147 R HN 0.149 nan 8.270 nan 0.000 0.475 148 I N 5.057 125.392 120.570 -0.392 0.000 2.683 148 I HA -0.006 4.165 4.170 0.001 0.000 0.286 148 I C -1.466 174.314 176.117 -0.562 0.000 1.175 148 I CA -1.229 59.660 61.300 -0.684 0.000 1.429 148 I CB 0.224 37.822 38.000 -0.670 0.000 1.371 148 I HN 0.381 nan 8.210 nan 0.000 0.569 149 P HA 0.071 nan 4.420 nan 0.000 0.272 149 P C -0.843 176.220 177.300 -0.394 0.000 1.240 149 P CA -0.404 62.286 63.100 -0.683 0.000 0.791 149 P CB 0.473 31.340 31.700 -1.387 0.000 0.978 150 N N 1.607 120.168 118.700 -0.232 0.000 2.371 150 N HA -0.006 4.735 4.740 0.001 0.000 0.243 150 N C 0.691 176.253 175.510 0.086 0.000 1.287 150 N CA 0.189 53.178 53.050 -0.103 0.000 0.911 150 N CB -0.373 38.073 38.487 -0.068 0.000 1.142 150 N HN 0.442 nan 8.380 nan 0.000 0.451 151 N N -1.162 117.579 118.700 0.068 0.000 2.747 151 N HA -0.156 4.584 4.740 0.001 0.000 0.249 151 N C -0.789 174.896 175.510 0.291 0.000 1.107 151 N CA 0.731 53.872 53.050 0.151 0.000 0.707 151 N CB -1.732 36.853 38.487 0.164 0.000 1.054 151 N HN 0.490 nan 8.380 nan 0.000 0.555 152 T N 0.840 115.552 114.554 0.263 0.000 2.916 152 T HA 0.091 4.442 4.350 0.001 0.000 0.303 152 T C 1.708 176.561 174.700 0.254 0.000 1.025 152 T CA 0.176 62.456 62.100 0.300 0.000 1.142 152 T CB 1.232 70.195 68.868 0.159 0.000 0.947 152 T HN 0.189 nan 8.240 nan 0.000 0.544 153 Q N 1.583 121.517 119.800 0.224 0.000 2.297 153 Q HA 0.174 4.515 4.340 0.001 0.000 0.203 153 Q C 0.117 176.234 176.000 0.196 0.000 0.931 153 Q CA 0.344 56.272 55.803 0.208 0.000 0.885 153 Q CB 0.845 29.647 28.738 0.107 0.000 0.991 153 Q HN 0.713 nan 8.270 nan 0.000 0.498 154 W N -0.113 121.120 121.300 -0.112 0.000 3.479 154 W HA 0.527 5.188 4.660 0.001 0.000 0.304 154 W C -2.279 174.144 176.519 -0.160 0.000 1.243 154 W CA -0.745 56.495 57.345 -0.176 0.000 1.202 154 W CB 1.424 30.718 29.460 -0.277 0.000 1.346 154 W HN -0.275 nan 8.180 nan 0.000 0.539 155 V N 4.527 123.729 119.914 -1.186 0.000 2.888 155 V HA 0.791 4.912 4.120 0.001 0.000 0.309 155 V C -1.467 173.941 176.094 -1.144 0.000 1.114 155 V CA -0.122 61.589 62.300 -0.983 0.000 0.940 155 V CB 2.374 33.579 31.823 -1.030 0.000 1.021 155 V HN 0.578 nan 8.190 nan 0.000 0.426 156 T N 5.601 119.810 114.554 -0.574 0.000 3.105 156 T HA 0.468 4.819 4.350 0.001 0.000 0.321 156 T C -1.193 173.512 174.700 0.008 0.000 1.135 156 T CA -0.321 61.645 62.100 -0.225 0.000 1.053 156 T CB 0.678 69.640 68.868 0.157 0.000 1.133 156 T HN 0.696 nan 8.240 nan 0.000 0.463 157 W N 3.490 124.813 121.300 0.039 0.000 2.148 157 W HA 0.366 5.027 4.660 0.001 0.000 0.347 157 W C 1.388 177.771 176.519 -0.226 0.000 1.288 157 W CA -0.442 56.887 57.345 -0.026 0.000 1.252 157 W CB 0.475 29.918 29.460 -0.028 0.000 1.156 157 W HN 0.802 nan 8.180 nan 0.000 0.580 158 S N 1.619 117.049 115.700 -0.449 0.000 2.580 158 S HA 0.078 4.548 4.470 0.001 0.000 0.266 158 S C -1.757 172.558 174.600 -0.475 0.000 1.354 158 S CA -0.921 56.472 58.200 -1.344 0.000 1.008 158 S CB 0.694 63.019 63.200 -1.458 0.000 0.898 158 S HN 0.306 nan 8.310 nan 0.000 0.555 159 P HA 0.165 nan 4.420 nan 0.000 0.229 159 P C -0.259 176.991 177.300 -0.085 0.000 1.160 159 P CA 0.402 63.449 63.100 -0.088 0.000 0.777 159 P CB 0.099 31.797 31.700 -0.003 0.000 0.814 160 V N -1.551 118.267 119.914 -0.160 0.000 2.823 160 V HA 0.669 4.789 4.120 0.001 0.000 0.312 160 V C 0.853 176.841 176.094 -0.176 0.000 1.072 160 V CA 0.088 62.314 62.300 -0.123 0.000 0.937 160 V CB 1.045 32.810 31.823 -0.097 0.000 1.013 160 V HN 0.405 nan 8.190 nan 0.000 0.430 161 G N 2.944 111.664 108.800 -0.132 0.000 2.531 161 G HA2 -0.218 3.742 3.960 0.001 0.000 0.274 161 G HA3 -0.218 3.742 3.960 0.001 0.000 0.274 161 G C 0.168 174.995 174.900 -0.121 0.000 1.159 161 G CA 0.659 45.655 45.100 -0.174 0.000 0.969 161 G HN 1.872 nan 8.290 nan 0.000 0.554 162 H N -0.611 118.454 119.070 -0.008 0.000 3.377 162 H HA 0.356 4.912 4.556 0.001 0.000 0.243 162 H C 0.226 175.728 175.328 0.290 0.000 1.264 162 H CA -0.043 56.069 56.048 0.107 0.000 1.021 162 H CB -0.436 29.403 29.762 0.127 0.000 2.781 162 H HN 0.552 nan 8.280 nan 0.000 0.643 163 K N 1.646 122.086 120.400 0.066 0.000 2.219 163 K HA 0.462 4.783 4.320 0.001 0.000 0.258 163 K C -0.372 176.357 176.600 0.216 0.000 1.008 163 K CA -0.266 56.077 56.287 0.093 0.000 0.928 163 K CB 1.469 33.900 32.500 -0.114 0.000 0.983 163 K HN 0.107 nan 8.250 nan 0.000 0.484 164 L N 1.044 122.403 121.223 0.226 0.000 2.381 164 L HA 0.550 4.890 4.340 0.001 0.000 0.268 164 L C -0.817 176.255 176.870 0.336 0.000 0.997 164 L CA -0.800 54.125 54.840 0.142 0.000 0.818 164 L CB 2.139 44.106 42.059 -0.153 0.000 1.310 164 L HN 0.684 nan 8.230 nan 0.000 0.416 165 A N 2.293 125.308 122.820 0.325 0.000 2.342 165 A HA 0.830 5.151 4.320 0.001 0.000 0.323 165 A C -1.495 176.092 177.584 0.005 0.000 1.125 165 A CA -0.386 51.694 52.037 0.071 0.000 0.785 165 A CB 0.993 19.900 19.000 -0.156 0.000 1.221 165 A HN 0.652 nan 8.150 nan 0.000 0.463 166 Y N -0.477 119.766 120.300 -0.095 0.000 2.581 166 Y HA 0.776 5.326 4.550 0.001 0.000 0.345 166 Y C -1.123 174.784 175.900 0.012 0.000 1.036 166 Y CA -1.583 56.442 58.100 -0.124 0.000 1.042 166 Y CB 1.261 39.587 38.460 -0.223 0.000 1.289 166 Y HN 0.364 nan 8.280 nan 0.000 0.471 167 V N 2.402 122.431 119.914 0.191 0.000 2.448 167 V HA 0.360 4.480 4.120 0.001 0.000 0.295 167 V C -1.461 174.839 176.094 0.343 0.000 1.025 167 V CA -0.617 61.774 62.300 0.150 0.000 0.859 167 V CB 1.279 33.102 31.823 0.001 0.000 0.988 167 V HN 0.884 nan 8.190 nan 0.000 0.431 168 W N 5.157 126.559 121.300 0.170 0.000 3.042 168 W HA 0.464 5.125 4.660 0.001 0.000 0.337 168 W C 0.231 176.809 176.519 0.099 0.000 1.086 168 W CA -0.747 56.679 57.345 0.134 0.000 1.236 168 W CB 1.231 30.767 29.460 0.127 0.000 1.381 168 W HN 0.776 nan 8.180 nan 0.000 0.472 169 N N 5.645 124.008 118.700 -0.562 0.000 2.727 169 N HA -0.355 4.385 4.740 0.001 0.000 0.249 169 N C 0.185 175.519 175.510 -0.292 0.000 1.048 169 N CA 1.051 53.756 53.050 -0.574 0.000 0.714 169 N CB -1.067 36.852 38.487 -0.946 0.000 0.959 169 N HN 0.830 nan 8.380 nan 0.000 0.544 170 N N -2.126 116.467 118.700 -0.178 0.000 2.909 170 N HA -0.168 4.573 4.740 0.001 0.000 0.242 170 N C -1.252 174.163 175.510 -0.157 0.000 0.975 170 N CA 1.122 54.082 53.050 -0.150 0.000 0.921 170 N CB -0.351 38.011 38.487 -0.208 0.000 1.112 170 N HN 0.438 nan 8.380 nan 0.000 0.581 171 D N 0.513 120.820 120.400 -0.155 0.000 2.340 171 D HA 0.507 5.147 4.640 0.001 0.000 0.240 171 D C 0.130 176.215 176.300 -0.359 0.000 1.001 171 D CA -0.359 53.461 54.000 -0.300 0.000 0.888 171 D CB 1.634 42.189 40.800 -0.408 0.000 1.310 171 D HN 0.027 nan 8.370 nan 0.000 0.474 172 I N 1.692 121.901 120.570 -0.601 0.000 2.396 172 I HA 0.238 4.409 4.170 0.001 0.000 0.292 172 I C -0.676 174.926 176.117 -0.859 0.000 0.999 172 I CA -0.425 60.508 61.300 -0.613 0.000 1.310 172 I CB 0.577 38.153 38.000 -0.707 0.000 1.404 172 I HN 0.160 nan 8.210 nan 0.000 0.496 173 Y N 4.109 124.031 120.300 -0.629 0.000 2.512 173 Y HA 0.635 5.185 4.550 0.001 0.000 0.348 173 Y C -0.367 175.195 175.900 -0.563 0.000 0.990 173 Y CA -0.945 56.744 58.100 -0.686 0.000 1.033 173 Y CB 2.051 39.812 38.460 -1.164 0.000 1.259 173 Y HN 0.108 nan 8.280 nan 0.000 0.461 174 V N 2.756 122.610 119.914 -0.101 0.000 2.588 174 V HA 0.457 4.577 4.120 0.001 0.000 0.304 174 V C -0.874 175.346 176.094 0.211 0.000 1.042 174 V CA -1.350 60.986 62.300 0.058 0.000 0.877 174 V CB 1.966 33.840 31.823 0.084 0.000 0.996 174 V HN 0.619 nan 8.190 nan 0.000 0.425 175 K N 4.348 124.878 120.400 0.217 0.000 2.307 175 K HA 0.503 4.824 4.320 0.001 0.000 0.263 175 K C 0.372 177.106 176.600 0.224 0.000 0.973 175 K CA -0.710 55.701 56.287 0.206 0.000 0.846 175 K CB 1.726 34.305 32.500 0.131 0.000 1.100 175 K HN 0.431 nan 8.250 nan 0.000 0.438 176 I N 1.309 122.033 120.570 0.256 0.000 2.500 176 I HA -0.044 4.126 4.170 0.001 0.000 0.252 176 I C 0.284 176.514 176.117 0.188 0.000 1.142 176 I CA 1.348 62.771 61.300 0.206 0.000 1.451 176 I CB -0.331 37.801 38.000 0.221 0.000 1.093 176 I HN 0.566 nan 8.210 nan 0.000 0.430 177 E N -0.204 120.096 120.200 0.167 0.000 2.292 177 E HA 0.283 4.634 4.350 0.001 0.000 0.272 177 E C -1.958 174.643 176.600 0.001 0.000 0.881 177 E CA -1.878 54.604 56.400 0.137 0.000 0.754 177 E CB 2.027 31.804 29.700 0.128 0.000 1.201 177 E HN -0.169 nan 8.360 nan 0.000 0.425 178 P HA -0.152 nan 4.420 nan 0.000 0.218 178 P C 0.851 178.073 177.300 -0.129 0.000 1.148 178 P CA 1.228 64.190 63.100 -0.230 0.000 0.822 178 P CB 0.299 31.655 31.700 -0.572 0.000 0.784 179 N N -1.018 117.630 118.700 -0.087 0.000 2.336 179 N HA 0.001 4.742 4.740 0.001 0.000 0.189 179 N C 0.160 175.652 175.510 -0.029 0.000 1.113 179 N CA 0.205 53.232 53.050 -0.038 0.000 0.858 179 N CB -0.201 38.284 38.487 -0.005 0.000 0.970 179 N HN 0.179 nan 8.380 nan 0.000 0.471 180 L N 0.845 122.053 121.223 -0.025 0.000 2.352 180 L HA 0.496 4.837 4.340 0.001 0.000 0.269 180 L C -2.222 174.607 176.870 -0.069 0.000 1.034 180 L CA -2.228 52.594 54.840 -0.030 0.000 0.806 180 L CB 1.338 43.401 42.059 0.006 0.000 1.244 180 L HN -0.174 nan 8.230 nan 0.000 0.447 181 P HA 0.010 nan 4.420 nan 0.000 0.269 181 P C -0.771 176.390 177.300 -0.231 0.000 1.209 181 P CA -0.292 62.711 63.100 -0.162 0.000 0.776 181 P CB 0.551 32.141 31.700 -0.183 0.000 0.876 182 S N 2.041 117.655 115.700 -0.143 0.000 2.580 182 S HA 0.285 4.756 4.470 0.001 0.000 0.274 182 S C -0.712 173.790 174.600 -0.163 0.000 1.329 182 S CA -0.340 57.817 58.200 -0.071 0.000 1.036 182 S CB -0.097 63.141 63.200 0.063 0.000 0.919 182 S HN 0.244 nan 8.310 nan 0.000 0.515 183 Y N 0.865 121.192 120.300 0.045 0.000 2.341 183 Y HA 0.429 4.979 4.550 0.001 0.000 0.340 183 Y C 0.759 176.615 175.900 -0.073 0.000 0.997 183 Y CA -0.842 57.268 58.100 0.017 0.000 1.149 183 Y CB 0.853 39.318 38.460 0.008 0.000 1.171 183 Y HN 0.741 nan 8.280 nan 0.000 0.494 184 R N 3.351 123.846 120.500 -0.008 0.000 2.316 184 R HA 0.179 4.520 4.340 0.001 0.000 0.314 184 R C -0.003 176.056 176.300 -0.403 0.000 1.069 184 R CA 0.156 55.961 56.100 -0.491 0.000 0.959 184 R CB 0.087 29.921 30.300 -0.776 0.000 0.987 184 R HN 0.736 nan 8.270 nan 0.000 0.446 185 I N 2.459 122.695 120.570 -0.557 0.000 2.494 185 I HA -0.000 4.170 4.170 0.001 0.000 0.250 185 I C 0.928 176.828 176.117 -0.360 0.000 1.112 185 I CA 1.024 62.103 61.300 -0.367 0.000 1.438 185 I CB -0.969 36.767 38.000 -0.440 0.000 1.111 185 I HN 0.764 nan 8.210 nan 0.000 0.431 186 T N -3.936 110.265 114.554 -0.590 0.000 2.908 186 T HA 0.397 4.748 4.350 0.001 0.000 0.290 186 T C -0.606 173.777 174.700 -0.527 0.000 1.034 186 T CA -0.523 61.332 62.100 -0.410 0.000 1.010 186 T CB 1.949 70.558 68.868 -0.432 0.000 1.068 186 T HN 0.182 nan 8.240 nan 0.000 0.481 187 W N 0.363 121.540 121.300 -0.205 0.000 2.534 187 W HA 0.233 4.894 4.660 0.001 0.000 0.339 187 W C 1.901 178.354 176.519 -0.109 0.000 0.961 187 W CA -0.064 57.197 57.345 -0.140 0.000 1.545 187 W CB 0.456 29.857 29.460 -0.098 0.000 1.104 187 W HN 0.932 nan 8.180 nan 0.000 0.538 188 T N -2.947 111.636 114.554 0.047 0.000 3.040 188 T HA 0.285 4.635 4.350 0.001 0.000 0.250 188 T C 1.243 175.927 174.700 -0.026 0.000 1.058 188 T CA 0.186 62.301 62.100 0.025 0.000 0.988 188 T CB -0.135 68.747 68.868 0.022 0.000 0.993 188 T HN -0.014 nan 8.240 nan 0.000 0.519 189 G N 1.331 110.082 108.800 -0.082 0.000 2.321 189 G HA2 0.347 4.308 3.960 0.001 0.000 0.237 189 G HA3 0.347 4.308 3.960 0.001 0.000 0.237 189 G C -0.612 174.216 174.900 -0.120 0.000 1.282 189 G CA -0.331 44.697 45.100 -0.120 0.000 0.886 189 G HN 0.583 nan 8.290 nan 0.000 0.528 190 K N 1.666 121.975 120.400 -0.151 0.000 2.588 190 K HA 0.180 4.500 4.320 0.001 0.000 0.250 190 K C -0.195 176.279 176.600 -0.209 0.000 0.972 190 K CA -0.657 55.546 56.287 -0.140 0.000 0.821 190 K CB 1.533 33.988 32.500 -0.076 0.000 1.249 190 K HN 0.615 nan 8.250 nan 0.000 0.442 191 E N 3.184 123.271 120.200 -0.189 0.000 2.652 191 E HA -0.138 4.212 4.350 0.001 0.000 0.255 191 E C -0.586 175.917 176.600 -0.162 0.000 0.952 191 E CA 0.985 57.269 56.400 -0.193 0.000 0.947 191 E CB 0.277 29.903 29.700 -0.124 0.000 0.912 191 E HN 0.661 nan 8.360 nan 0.000 0.489 192 D N 2.597 122.873 120.400 -0.206 0.000 3.077 192 D HA -0.232 4.409 4.640 0.001 0.000 0.217 192 D C 0.431 176.769 176.300 0.063 0.000 1.162 192 D CA 1.213 55.220 54.000 0.011 0.000 0.943 192 D CB -0.489 40.365 40.800 0.091 0.000 1.122 192 D HN 0.422 nan 8.370 nan 0.000 0.413 193 I N -1.125 119.386 120.570 -0.098 0.000 3.685 193 I HA 0.098 4.269 4.170 0.001 0.000 0.258 193 I C 0.613 176.795 176.117 0.109 0.000 1.135 193 I CA 0.370 61.707 61.300 0.062 0.000 1.436 193 I CB 0.235 38.252 38.000 0.027 0.000 1.670 193 I HN -0.146 nan 8.210 nan 0.000 0.424 194 I N 1.909 122.453 120.570 -0.043 0.000 2.362 194 I HA 0.252 4.423 4.170 0.001 0.000 0.289 194 I C -1.268 174.824 176.117 -0.041 0.000 0.994 194 I CA -0.488 60.850 61.300 0.063 0.000 1.158 194 I CB 0.823 38.847 38.000 0.041 0.000 1.315 194 I HN 0.066 nan 8.210 nan 0.000 0.451 195 Y N 4.715 125.099 120.300 0.140 0.000 2.402 195 Y HA 0.360 4.911 4.550 0.001 0.000 0.332 195 Y C 0.451 176.401 175.900 0.084 0.000 0.960 195 Y CA -0.739 57.446 58.100 0.142 0.000 1.228 195 Y CB 0.764 39.395 38.460 0.285 0.000 1.120 195 Y HN 0.413 nan 8.280 nan 0.000 0.491 196 N N 2.470 121.215 118.700 0.075 0.000 2.426 196 N HA 0.299 5.040 4.740 0.001 0.000 0.257 196 N C 0.939 176.376 175.510 -0.122 0.000 1.002 196 N CA 0.550 53.575 53.050 -0.042 0.000 0.942 196 N CB 1.721 40.084 38.487 -0.207 0.000 1.112 196 N HN 0.995 nan 8.380 nan 0.000 0.499 197 G N 1.649 110.400 108.800 -0.082 0.000 2.184 197 G HA2 -0.258 3.703 3.960 0.001 0.000 0.264 197 G HA3 -0.258 3.703 3.960 0.001 0.000 0.264 197 G C 0.134 174.888 174.900 -0.243 0.000 0.975 197 G CA 0.719 45.705 45.100 -0.192 0.000 0.642 197 G HN 0.668 nan 8.290 nan 0.000 0.536 198 I N -2.015 118.486 120.570 -0.115 0.000 2.934 198 I HA 0.837 5.008 4.170 0.001 0.000 0.306 198 I C 0.276 176.462 176.117 0.115 0.000 1.110 198 I CA -0.686 60.482 61.300 -0.220 0.000 1.019 198 I CB 2.079 39.781 38.000 -0.496 0.000 1.227 198 I HN 0.162 nan 8.210 nan 0.000 0.434 199 T N -0.462 114.104 114.554 0.022 0.000 2.922 199 T HA 0.389 4.739 4.350 0.001 0.000 0.285 199 T C -0.205 174.357 174.700 -0.231 0.000 1.005 199 T CA -0.693 61.289 62.100 -0.197 0.000 1.061 199 T CB 1.344 70.150 68.868 -0.103 0.000 1.007 199 T HN 0.766 nan 8.240 nan 0.000 0.502 200 D N 0.509 120.486 120.400 -0.705 0.000 2.447 200 D HA 0.008 4.648 4.640 0.001 0.000 0.265 200 D C 1.002 177.235 176.300 -0.112 0.000 1.250 200 D CA -1.072 52.514 54.000 -0.690 0.000 1.046 200 D CB 0.148 40.432 40.800 -0.860 0.000 1.095 200 D HN 0.724 nan 8.370 nan 0.000 0.555 201 W N 0.223 121.472 121.300 -0.084 0.000 2.318 201 W HA -0.239 4.422 4.660 0.001 0.000 0.313 201 W C 2.114 178.539 176.519 -0.157 0.000 1.221 201 W CA 2.429 59.718 57.345 -0.094 0.000 1.266 201 W CB -0.373 28.970 29.460 -0.195 0.000 1.150 201 W HN 0.199 nan 8.180 nan 0.000 0.496 202 V N -0.484 119.508 119.914 0.130 0.000 2.591 202 V HA -0.237 3.884 4.120 0.001 0.000 0.249 202 V C 1.780 177.737 176.094 -0.227 0.000 1.053 202 V CA 1.769 64.054 62.300 -0.025 0.000 1.068 202 V CB -0.670 31.132 31.823 -0.035 0.000 0.689 202 V HN 0.273 nan 8.190 nan 0.000 0.462 203 Y N 0.733 120.876 120.300 -0.262 0.000 2.242 203 Y HA -0.163 4.387 4.550 0.001 0.000 0.291 203 Y C 2.566 178.386 175.900 -0.132 0.000 1.137 203 Y CA 2.095 60.050 58.100 -0.242 0.000 1.181 203 Y CB -0.011 38.168 38.460 -0.469 0.000 0.989 203 Y HN 0.386 nan 8.280 nan 0.000 0.527 204 E N 0.426 120.608 120.200 -0.030 0.000 2.031 204 E HA -0.299 4.052 4.350 0.001 0.000 0.193 204 E C 2.029 178.597 176.600 -0.054 0.000 0.994 204 E CA 1.606 58.007 56.400 0.002 0.000 0.800 204 E CB -0.036 29.655 29.700 -0.014 0.000 0.752 204 E HN 0.397 nan 8.360 nan 0.000 0.447 205 E N 0.102 120.083 120.200 -0.366 0.000 2.072 205 E HA -0.157 4.193 4.350 0.001 0.000 0.190 205 E C 1.618 178.117 176.600 -0.168 0.000 0.982 205 E CA 1.498 57.661 56.400 -0.394 0.000 0.803 205 E CB 0.188 29.294 29.700 -0.990 0.000 0.755 205 E HN 0.228 nan 8.360 nan 0.000 0.453 206 E N -1.039 119.043 120.200 -0.197 0.000 2.434 206 E HA 0.119 4.470 4.350 0.001 0.000 0.207 206 E C 1.627 178.109 176.600 -0.198 0.000 0.929 206 E CA 0.372 56.689 56.400 -0.137 0.000 1.001 206 E CB 1.011 30.605 29.700 -0.176 0.000 1.016 206 E HN 0.189 nan 8.360 nan 0.000 0.502 207 V N -0.473 119.284 119.914 -0.261 0.000 2.870 207 V HA 0.067 4.188 4.120 0.001 0.000 0.232 207 V C 1.442 177.313 176.094 -0.372 0.000 1.161 207 V CA 0.635 62.681 62.300 -0.423 0.000 1.204 207 V CB -0.301 31.137 31.823 -0.641 0.000 1.003 207 V HN 0.009 nan 8.190 nan 0.000 0.499 208 F N 0.763 120.745 119.950 0.053 0.000 2.754 208 F HA 0.261 4.789 4.527 0.001 0.000 0.297 208 F C 1.551 177.326 175.800 -0.042 0.000 1.122 208 F CA 0.371 58.411 58.000 0.067 0.000 1.400 208 F CB -0.340 38.748 39.000 0.146 0.000 1.117 208 F HN 0.073 nan 8.300 nan 0.000 0.587 209 S N 0.549 116.272 115.700 0.039 0.000 3.549 209 S HA 0.005 4.476 4.470 0.001 0.000 0.366 209 S C 0.043 174.241 174.600 -0.671 0.000 1.012 209 S CA 0.393 58.467 58.200 -0.210 0.000 1.141 209 S CB -1.755 61.378 63.200 -0.112 0.000 0.910 209 S HN 0.665 nan 8.310 nan 0.000 0.471 210 A N -0.445 122.203 122.820 -0.287 0.000 2.599 210 A HA 0.663 4.984 4.320 0.001 0.000 0.294 210 A C -0.272 177.290 177.584 -0.037 0.000 1.055 210 A CA -0.536 51.358 52.037 -0.238 0.000 0.683 210 A CB 0.317 19.188 19.000 -0.216 0.000 1.278 210 A HN 0.285 nan 8.150 nan 0.000 0.412 211 Y N 1.488 121.637 120.300 -0.252 0.000 2.420 211 Y HA 0.163 4.714 4.550 0.001 0.000 0.292 211 Y C 1.595 177.206 175.900 -0.483 0.000 1.119 211 Y CA 1.091 59.041 58.100 -0.249 0.000 1.229 211 Y CB 0.025 38.376 38.460 -0.181 0.000 1.026 211 Y HN 0.698 nan 8.280 nan 0.000 0.554 212 S N 0.525 115.701 115.700 -0.874 0.000 2.549 212 S HA 0.460 4.931 4.470 0.001 0.000 0.279 212 S C 0.277 174.348 174.600 -0.881 0.000 1.321 212 S CA 0.111 57.559 58.200 -1.253 0.000 1.054 212 S CB 0.556 62.638 63.200 -1.863 0.000 0.899 212 S HN 0.389 nan 8.310 nan 0.000 0.497 213 A N 5.695 128.011 122.820 -0.839 0.000 2.959 213 A HA 0.513 4.833 4.320 0.001 0.000 0.280 213 A C -0.541 176.371 177.584 -1.120 0.000 0.953 213 A CA -0.498 50.950 52.037 -0.982 0.000 1.047 213 A CB -0.042 18.816 19.000 -0.236 0.000 1.147 213 A HN 0.731 nan 8.150 nan 0.000 0.489 214 L N 0.377 120.838 121.223 -1.271 0.000 2.365 214 L HA 0.607 4.948 4.340 0.001 0.000 0.273 214 L C -1.117 175.250 176.870 -0.838 0.000 1.000 214 L CA -0.574 53.822 54.840 -0.741 0.000 0.819 214 L CB 1.931 43.762 42.059 -0.380 0.000 1.284 214 L HN 0.466 nan 8.230 nan 0.000 0.418 215 W N 2.476 123.806 121.300 0.050 0.000 2.664 215 W HA 0.214 4.875 4.660 0.001 0.000 0.314 215 W C -1.101 175.631 176.519 0.355 0.000 1.010 215 W CA -1.098 56.401 57.345 0.255 0.000 1.306 215 W CB 1.200 30.861 29.460 0.336 0.000 1.254 215 W HN 0.500 nan 8.180 nan 0.000 0.404 216 W N 2.595 124.102 121.300 0.345 0.000 2.181 216 W HA 0.167 4.828 4.660 0.001 0.000 0.335 216 W C 1.425 177.778 176.519 -0.276 0.000 1.310 216 W CA 0.479 57.890 57.345 0.111 0.000 1.226 216 W CB 0.704 30.201 29.460 0.060 0.000 1.155 216 W HN 0.200 nan 8.180 nan 0.000 0.565 217 S N 2.867 118.279 115.700 -0.480 0.000 2.576 217 S HA 0.097 4.568 4.470 0.001 0.000 0.272 217 S C -1.715 172.640 174.600 -0.408 0.000 1.352 217 S CA -0.938 56.492 58.200 -1.284 0.000 1.021 217 S CB 0.945 63.416 63.200 -1.216 0.000 0.887 217 S HN 0.305 nan 8.310 nan 0.000 0.542 218 P HA -0.119 nan 4.420 nan 0.000 0.217 218 P C 0.816 178.081 177.300 -0.059 0.000 1.148 218 P CA 1.458 64.520 63.100 -0.062 0.000 0.828 218 P CB -0.180 31.530 31.700 0.017 0.000 0.783 219 N N -2.078 116.569 118.700 -0.088 0.000 2.203 219 N HA 0.144 4.884 4.740 0.001 0.000 0.207 219 N C 1.079 176.503 175.510 -0.143 0.000 1.130 219 N CA 0.402 53.396 53.050 -0.093 0.000 0.861 219 N CB -0.620 37.829 38.487 -0.064 0.000 1.005 219 N HN 0.134 nan 8.380 nan 0.000 0.507 220 G N -0.847 107.871 108.800 -0.136 0.000 2.179 220 G HA2 -0.342 3.619 3.960 0.001 0.000 0.260 220 G HA3 -0.342 3.619 3.960 0.001 0.000 0.260 220 G C 0.957 175.872 174.900 0.026 0.000 0.977 220 G CA 0.738 45.758 45.100 -0.133 0.000 0.641 220 G HN 0.365 nan 8.290 nan 0.000 0.533 221 T N 0.092 114.585 114.554 -0.102 0.000 2.674 221 T HA 0.137 4.488 4.350 0.001 0.000 0.265 221 T C 0.879 175.417 174.700 -0.270 0.000 1.039 221 T CA 1.440 63.374 62.100 -0.276 0.000 1.150 221 T CB -0.113 68.441 68.868 -0.523 0.000 0.864 221 T HN 0.299 nan 8.240 nan 0.000 0.427 222 F N 0.401 120.382 119.950 0.052 0.000 2.422 222 F HA 0.596 5.124 4.527 0.001 0.000 0.333 222 F C -0.186 175.687 175.800 0.122 0.000 1.095 222 F CA -1.551 56.519 58.000 0.115 0.000 1.038 222 F CB 1.032 40.172 39.000 0.232 0.000 1.156 222 F HN -0.076 nan 8.300 nan 0.000 0.483 223 L N 3.182 124.550 121.223 0.241 0.000 2.316 223 L HA 0.762 5.103 4.340 0.001 0.000 0.280 223 L C -0.391 176.578 176.870 0.165 0.000 1.006 223 L CA -0.479 54.341 54.840 -0.034 0.000 0.836 223 L CB 0.542 42.314 42.059 -0.478 0.000 1.221 223 L HN 0.680 nan 8.230 nan 0.000 0.418 224 A N 4.901 127.896 122.820 0.292 0.000 2.316 224 A HA 0.706 5.027 4.320 0.001 0.000 0.284 224 A C -1.284 176.367 177.584 0.112 0.000 1.115 224 A CA -0.173 51.911 52.037 0.078 0.000 0.812 224 A CB 0.370 19.504 19.000 0.223 0.000 1.064 224 A HN 0.855 nan 8.150 nan 0.000 0.489 225 Y N -1.687 118.394 120.300 -0.365 0.000 2.581 225 Y HA 0.730 5.281 4.550 0.001 0.000 0.337 225 Y C -0.340 175.389 175.900 -0.285 0.000 1.108 225 Y CA -0.897 57.080 58.100 -0.205 0.000 1.033 225 Y CB 0.812 39.131 38.460 -0.234 0.000 1.318 225 Y HN 0.907 nan 8.280 nan 0.000 0.459 226 A N 2.431 125.306 122.820 0.091 0.000 2.306 226 A HA 0.680 5.001 4.320 0.001 0.000 0.330 226 A C -1.097 176.365 177.584 -0.204 0.000 1.146 226 A CA -0.837 51.123 52.037 -0.128 0.000 0.827 226 A CB 1.650 20.509 19.000 -0.235 0.000 1.178 226 A HN 0.825 nan 8.150 nan 0.000 0.490 227 Q N 1.086 120.704 119.800 -0.302 0.000 2.321 227 Q HA 0.586 4.927 4.340 0.001 0.000 0.270 227 Q C -2.054 173.718 176.000 -0.380 0.000 1.032 227 Q CA -0.373 55.340 55.803 -0.150 0.000 0.784 227 Q CB 1.003 29.876 28.738 0.225 0.000 1.264 227 Q HN 0.582 nan 8.270 nan 0.000 0.448 228 F N 2.327 122.374 119.950 0.162 0.000 2.443 228 F HA 0.421 4.948 4.527 0.001 0.000 0.335 228 F C 0.455 176.409 175.800 0.256 0.000 1.104 228 F CA -0.898 57.179 58.000 0.129 0.000 1.013 228 F CB 1.313 40.295 39.000 -0.030 0.000 1.136 228 F HN 0.444 nan 8.300 nan 0.000 0.470 229 N N 1.870 120.798 118.700 0.380 0.000 2.479 229 N HA 0.221 4.961 4.740 0.001 0.000 0.261 229 N C -0.922 174.766 175.510 0.297 0.000 0.979 229 N CA -0.326 52.908 53.050 0.307 0.000 0.930 229 N CB 1.039 39.652 38.487 0.209 0.000 1.172 229 N HN 0.543 nan 8.380 nan 0.000 0.499 230 D N 1.338 121.937 120.400 0.332 0.000 2.424 230 D HA 0.132 4.773 4.640 0.001 0.000 0.220 230 D C 1.198 177.620 176.300 0.205 0.000 1.150 230 D CA 0.139 54.312 54.000 0.287 0.000 0.831 230 D CB 0.557 41.590 40.800 0.389 0.000 0.981 230 D HN 0.468 nan 8.370 nan 0.000 0.500 231 T N 0.486 115.140 114.554 0.168 0.000 2.649 231 T HA -0.228 4.123 4.350 0.001 0.000 0.268 231 T C 1.247 176.006 174.700 0.099 0.000 1.036 231 T CA 1.399 63.569 62.100 0.118 0.000 1.157 231 T CB -0.073 68.853 68.868 0.096 0.000 0.861 231 T HN 0.335 nan 8.240 nan 0.000 0.445 232 E N 0.317 120.576 120.200 0.098 0.000 2.501 232 E HA 0.207 4.558 4.350 0.001 0.000 0.200 232 E C -0.524 176.127 176.600 0.084 0.000 1.016 232 E CA -0.253 56.194 56.400 0.078 0.000 0.921 232 E CB 0.621 30.360 29.700 0.064 0.000 1.034 232 E HN 0.204 nan 8.360 nan 0.000 0.468 233 V N 3.563 123.542 119.914 0.107 0.000 2.508 233 V HA 0.117 4.237 4.120 0.001 0.000 0.281 233 V C -1.989 174.164 176.094 0.097 0.000 1.041 233 V CA -1.547 60.819 62.300 0.111 0.000 1.016 233 V CB 0.409 32.317 31.823 0.142 0.000 0.984 233 V HN 0.055 nan 8.190 nan 0.000 0.478 234 P HA 0.336 nan 4.420 nan 0.000 0.274 234 P C -0.953 176.384 177.300 0.063 0.000 1.237 234 P CA -0.462 62.675 63.100 0.062 0.000 0.793 234 P CB 0.556 32.288 31.700 0.054 0.000 0.977 235 L N 1.925 123.163 121.223 0.025 0.000 2.295 235 L HA 0.399 4.740 4.340 0.001 0.000 0.285 235 L C 0.260 177.082 176.870 -0.081 0.000 1.035 235 L CA -0.629 54.209 54.840 -0.004 0.000 0.806 235 L CB 0.898 42.953 42.059 -0.007 0.000 1.214 235 L HN 0.292 nan 8.230 nan 0.000 0.426 236 I N 2.749 123.220 120.570 -0.165 0.000 2.529 236 I HA 0.206 4.376 4.170 0.001 0.000 0.284 236 I C -0.221 175.748 176.117 -0.246 0.000 1.082 236 I CA 0.378 61.481 61.300 -0.329 0.000 1.406 236 I CB 0.399 37.940 38.000 -0.765 0.000 1.405 236 I HN 0.606 nan 8.210 nan 0.000 0.548 237 E N 7.466 127.542 120.200 -0.208 0.000 2.222 237 E HA 0.518 4.868 4.350 0.001 0.000 0.267 237 E C -1.732 174.803 176.600 -0.108 0.000 0.884 237 E CA -0.605 55.674 56.400 -0.201 0.000 0.764 237 E CB 2.014 31.626 29.700 -0.147 0.000 1.169 237 E HN 0.573 nan 8.360 nan 0.000 0.413 238 Y N -1.785 118.432 120.300 -0.138 0.000 2.609 238 Y HA 0.533 5.084 4.550 0.001 0.000 0.336 238 Y C -0.749 175.090 175.900 -0.102 0.000 1.129 238 Y CA -1.253 56.775 58.100 -0.120 0.000 1.040 238 Y CB 0.872 39.268 38.460 -0.106 0.000 1.310 238 Y HN 0.215 nan 8.280 nan 0.000 0.460 239 S N 1.972 117.679 115.700 0.012 0.000 2.584 239 S HA 0.483 4.954 4.470 0.001 0.000 0.273 239 S C -1.386 173.090 174.600 -0.206 0.000 1.311 239 S CA -0.352 57.708 58.200 -0.234 0.000 1.034 239 S CB 0.430 63.343 63.200 -0.478 0.000 0.939 239 S HN 0.536 nan 8.310 nan 0.000 0.513 240 F N 2.007 121.701 119.950 -0.428 0.000 2.518 240 F HA 0.432 4.959 4.527 0.001 0.000 0.323 240 F C -0.270 175.303 175.800 -0.379 0.000 1.129 240 F CA -0.814 57.022 58.000 -0.274 0.000 0.920 240 F CB 0.912 39.883 39.000 -0.049 0.000 1.160 240 F HN 0.660 nan 8.300 nan 0.000 0.440 241 Y N 2.693 122.790 120.300 -0.338 0.000 2.397 241 Y HA 0.131 4.681 4.550 0.001 0.000 0.292 241 Y C 1.684 177.542 175.900 -0.070 0.000 1.115 241 Y CA 1.178 59.183 58.100 -0.158 0.000 1.208 241 Y CB -0.357 37.992 38.460 -0.184 0.000 1.046 241 Y HN 0.747 nan 8.280 nan 0.000 0.552 242 S N -0.348 115.320 115.700 -0.053 0.000 3.569 242 S HA -0.214 4.257 4.470 0.001 0.000 0.635 242 S C -0.654 174.014 174.600 0.112 0.000 2.396 242 S CA 0.203 58.510 58.200 0.178 0.000 2.612 242 S CB -1.249 62.136 63.200 0.308 0.000 0.331 242 S HN 0.428 nan 8.310 nan 0.000 1.764 243 D N 1.597 122.074 120.400 0.128 0.000 2.368 243 D HA 0.182 4.822 4.640 0.001 0.000 0.240 243 D C 1.393 177.734 176.300 0.069 0.000 1.169 243 D CA 0.466 54.518 54.000 0.087 0.000 0.906 243 D CB 0.222 41.072 40.800 0.083 0.000 1.187 243 D HN 0.637 nan 8.370 nan 0.000 0.435 244 E N 0.552 120.780 120.200 0.046 0.000 2.171 244 E HA -0.244 4.107 4.350 0.001 0.000 0.197 244 E C 1.507 178.126 176.600 0.031 0.000 0.997 244 E CA 1.455 57.873 56.400 0.030 0.000 0.810 244 E CB 0.114 29.824 29.700 0.016 0.000 0.738 244 E HN 0.440 nan 8.360 nan 0.000 0.467 245 S N 0.289 116.012 115.700 0.039 0.000 2.440 245 S HA -0.171 4.299 4.470 0.001 0.000 0.238 245 S C 0.968 175.597 174.600 0.048 0.000 1.010 245 S CA 0.268 58.491 58.200 0.039 0.000 0.972 245 S CB -0.284 62.941 63.200 0.042 0.000 0.774 245 S HN 0.266 nan 8.310 nan 0.000 0.501 246 L N 2.392 123.653 121.223 0.064 0.000 2.369 246 L HA 0.309 4.650 4.340 0.001 0.000 0.279 246 L C 1.360 178.269 176.870 0.065 0.000 1.108 246 L CA 0.065 54.954 54.840 0.082 0.000 0.852 246 L CB 0.653 42.778 42.059 0.109 0.000 1.169 246 L HN 0.266 nan 8.230 nan 0.000 0.452 247 Q N 3.910 123.749 119.800 0.066 0.000 2.083 247 Q HA -0.072 4.269 4.340 0.001 0.000 0.198 247 Q C -0.515 175.406 176.000 -0.131 0.000 0.969 247 Q CA 1.302 57.088 55.803 -0.028 0.000 0.838 247 Q CB 0.136 28.875 28.738 0.001 0.000 0.900 247 Q HN 0.680 nan 8.270 nan 0.000 0.436 248 Y N 0.710 121.028 120.300 0.030 0.000 2.335 248 Y HA 0.383 4.934 4.550 0.001 0.000 0.338 248 Y C -2.036 173.878 175.900 0.024 0.000 0.977 248 Y CA -2.926 55.189 58.100 0.024 0.000 1.114 248 Y CB 1.334 39.799 38.460 0.008 0.000 1.182 248 Y HN 0.164 nan 8.280 nan 0.000 0.463 249 P HA 0.024 nan 4.420 nan 0.000 0.269 249 P C -0.865 176.447 177.300 0.019 0.000 1.209 249 P CA -0.511 62.608 63.100 0.032 0.000 0.776 249 P CB 0.671 32.316 31.700 -0.092 0.000 0.876 250 K N 1.007 121.406 120.400 -0.003 0.000 2.143 250 K HA 0.357 4.678 4.320 0.001 0.000 0.272 250 K C -0.770 175.788 176.600 -0.071 0.000 1.001 250 K CA -0.375 55.908 56.287 -0.007 0.000 0.915 250 K CB 0.505 33.026 32.500 0.034 0.000 1.047 250 K HN 0.287 nan 8.250 nan 0.000 0.458 251 T N 3.329 117.826 114.554 -0.095 0.000 2.743 251 T HA 0.216 4.567 4.350 0.001 0.000 0.292 251 T C -0.559 174.017 174.700 -0.207 0.000 0.972 251 T CA -0.659 61.350 62.100 -0.153 0.000 0.967 251 T CB 0.924 69.718 68.868 -0.124 0.000 0.926 251 T HN 0.353 nan 8.240 nan 0.000 0.459 252 V N 5.569 125.265 119.914 -0.363 0.000 2.530 252 V HA 0.400 4.521 4.120 0.001 0.000 0.282 252 V C 0.457 176.281 176.094 -0.449 0.000 1.048 252 V CA -0.453 61.578 62.300 -0.447 0.000 0.997 252 V CB 0.712 32.096 31.823 -0.732 0.000 0.987 252 V HN 0.726 nan 8.190 nan 0.000 0.477 253 R N 3.437 123.803 120.500 -0.222 0.000 2.451 253 R HA 0.709 5.050 4.340 0.001 0.000 0.307 253 R C -1.642 174.645 176.300 -0.021 0.000 0.965 253 R CA -0.538 55.479 56.100 -0.139 0.000 0.865 253 R CB 2.155 32.405 30.300 -0.084 0.000 1.174 253 R HN 0.519 nan 8.270 nan 0.000 0.455 254 V N 4.027 123.931 119.914 -0.018 0.000 2.531 254 V HA 0.362 4.483 4.120 0.001 0.000 0.301 254 V C -2.347 173.799 176.094 0.086 0.000 1.034 254 V CA -2.535 59.822 62.300 0.095 0.000 0.865 254 V CB 2.099 33.931 31.823 0.014 0.000 0.995 254 V HN 0.609 nan 8.190 nan 0.000 0.424 255 P HA 0.181 nan 4.420 nan 0.000 0.265 255 P C -1.322 176.086 177.300 0.181 0.000 1.222 255 P CA 0.284 63.493 63.100 0.182 0.000 0.767 255 P CB -0.134 31.718 31.700 0.254 0.000 0.801 256 Y N 6.222 126.499 120.300 -0.037 0.000 2.298 256 Y HA 0.371 4.921 4.550 0.001 0.000 0.322 256 Y C -2.811 173.058 175.900 -0.053 0.000 1.138 256 Y CA -2.787 55.237 58.100 -0.126 0.000 1.127 256 Y CB 1.829 40.090 38.460 -0.331 0.000 1.178 256 Y HN 0.273 nan 8.280 nan 0.000 0.428 257 P HA 0.277 nan 4.420 nan 0.000 0.291 257 P C -0.903 176.451 177.300 0.090 0.000 1.340 257 P CA -0.229 62.917 63.100 0.077 0.000 0.799 257 P CB 1.327 33.052 31.700 0.042 0.000 0.917 258 K N 2.008 122.545 120.400 0.229 0.000 2.120 258 K HA 0.486 4.807 4.320 0.001 0.000 0.245 258 K C 0.601 177.303 176.600 0.169 0.000 1.024 258 K CA -0.680 55.759 56.287 0.252 0.000 0.906 258 K CB 0.471 33.134 32.500 0.271 0.000 1.051 258 K HN 0.452 nan 8.250 nan 0.000 0.491 259 A N 0.742 123.688 122.820 0.210 0.000 2.566 259 A HA 0.279 4.600 4.320 0.001 0.000 0.245 259 A C 1.197 178.816 177.584 0.059 0.000 1.056 259 A CA 0.992 53.137 52.037 0.180 0.000 0.757 259 A CB -1.176 18.024 19.000 0.333 0.000 0.979 259 A HN 0.901 nan 8.150 nan 0.000 0.508 260 G N 0.914 109.737 108.800 0.039 0.000 2.205 260 G HA2 0.110 4.071 3.960 0.001 0.000 0.261 260 G HA3 0.110 4.071 3.960 0.001 0.000 0.261 260 G C 0.663 175.574 174.900 0.017 0.000 0.980 260 G CA 0.715 45.811 45.100 -0.006 0.000 0.632 260 G HN 2.176 nan 8.290 nan 0.000 0.533 261 A N -0.302 122.546 122.820 0.047 0.000 2.259 261 A HA 0.748 5.069 4.320 0.001 0.000 0.278 261 A C 0.848 178.462 177.584 0.051 0.000 1.107 261 A CA 0.284 52.353 52.037 0.053 0.000 0.828 261 A CB 0.736 19.782 19.000 0.077 0.000 1.111 261 A HN 1.163 nan 8.150 nan 0.000 0.498 262 V N 2.043 121.988 119.914 0.052 0.000 2.529 262 V HA -0.013 4.108 4.120 0.001 0.000 0.292 262 V C 0.684 176.822 176.094 0.072 0.000 1.028 262 V CA 0.356 62.688 62.300 0.053 0.000 1.074 262 V CB -0.426 31.429 31.823 0.053 0.000 0.958 262 V HN 0.867 nan 8.190 nan 0.000 0.481 263 N N 5.965 124.706 118.700 0.070 0.000 2.495 263 N HA 0.402 5.143 4.740 0.001 0.000 0.280 263 N C -2.413 173.180 175.510 0.138 0.000 1.168 263 N CA -1.323 51.790 53.050 0.105 0.000 0.978 263 N CB 1.189 39.729 38.487 0.088 0.000 1.191 263 N HN 0.466 nan 8.380 nan 0.000 0.497 264 P HA 0.016 nan 4.420 nan 0.000 0.269 264 P C -0.634 176.825 177.300 0.266 0.000 1.215 264 P CA -0.081 63.178 63.100 0.266 0.000 0.780 264 P CB 0.526 32.440 31.700 0.356 0.000 0.898 265 T N -1.504 113.189 114.554 0.231 0.000 2.944 265 T HA 0.597 4.948 4.350 0.001 0.000 0.284 265 T C -0.273 174.574 174.700 0.245 0.000 1.010 265 T CA -0.842 61.360 62.100 0.170 0.000 1.025 265 T CB 1.502 70.427 68.868 0.095 0.000 1.079 265 T HN 0.343 nan 8.240 nan 0.000 0.516 266 V N 0.341 120.372 119.914 0.196 0.000 2.925 266 V HA 0.749 4.870 4.120 0.001 0.000 0.311 266 V C -1.551 174.630 176.094 0.146 0.000 1.104 266 V CA -0.830 61.558 62.300 0.146 0.000 0.954 266 V CB 2.068 34.038 31.823 0.245 0.000 1.022 266 V HN 1.062 nan 8.190 nan 0.000 0.427 267 K N 4.399 124.816 120.400 0.028 0.000 2.482 267 K HA 0.598 4.919 4.320 0.001 0.000 0.257 267 K C -1.978 174.523 176.600 -0.164 0.000 0.969 267 K CA -0.537 55.724 56.287 -0.042 0.000 0.842 267 K CB 2.896 35.339 32.500 -0.096 0.000 1.359 267 K HN 0.555 nan 8.250 nan 0.000 0.441 268 F N 1.988 121.609 119.950 -0.549 0.000 2.529 268 F HA 0.569 5.097 4.527 0.001 0.000 0.320 268 F C -1.573 173.684 175.800 -0.905 0.000 1.118 268 F CA -0.646 57.024 58.000 -0.551 0.000 0.915 268 F CB 0.928 39.738 39.000 -0.317 0.000 1.161 268 F HN 0.393 nan 8.300 nan 0.000 0.445 269 F N 3.973 123.185 119.950 -1.231 0.000 2.603 269 F HA 0.776 5.303 4.527 0.001 0.000 0.317 269 F C -0.987 174.151 175.800 -1.103 0.000 1.066 269 F CA -1.225 56.166 58.000 -1.016 0.000 0.941 269 F CB 2.120 40.433 39.000 -1.145 0.000 1.291 269 F HN 0.134 nan 8.300 nan 0.000 0.472 270 V N 2.354 122.038 119.914 -0.384 0.000 2.638 270 V HA 0.602 4.722 4.120 0.001 0.000 0.306 270 V C -1.158 175.009 176.094 0.121 0.000 1.052 270 V CA -0.853 61.311 62.300 -0.226 0.000 0.885 270 V CB 1.951 33.447 31.823 -0.544 0.000 0.999 270 V HN 0.606 nan 8.190 nan 0.000 0.424 271 V N 4.013 124.072 119.914 0.241 0.000 2.555 271 V HA 0.565 4.686 4.120 0.001 0.000 0.302 271 V C -0.270 176.044 176.094 0.366 0.000 1.038 271 V CA -0.598 61.872 62.300 0.284 0.000 0.887 271 V CB 2.074 34.012 31.823 0.190 0.000 0.991 271 V HN 0.936 nan 8.190 nan 0.000 0.434 272 N N 3.599 122.497 118.700 0.330 0.000 2.402 272 N HA 0.111 4.852 4.740 0.001 0.000 0.252 272 N C 1.082 176.593 175.510 0.002 0.000 1.118 272 N CA 0.632 53.764 53.050 0.138 0.000 0.945 272 N CB 1.578 40.123 38.487 0.096 0.000 1.147 272 N HN 0.900 nan 8.380 nan 0.000 0.495 273 T N -0.409 114.129 114.554 -0.026 0.000 3.113 273 T HA 0.036 4.387 4.350 0.001 0.000 0.256 273 T C 0.644 175.290 174.700 -0.090 0.000 1.131 273 T CA 0.523 62.606 62.100 -0.028 0.000 1.074 273 T CB 0.155 69.102 68.868 0.131 0.000 0.944 273 T HN 0.228 nan 8.240 nan 0.000 0.516 274 D N 1.924 122.249 120.400 -0.125 0.000 2.348 274 D HA 0.057 4.697 4.640 0.001 0.000 0.211 274 D C 1.471 177.707 176.300 -0.107 0.000 0.998 274 D CA 0.783 54.710 54.000 -0.122 0.000 0.873 274 D CB 0.169 40.879 40.800 -0.150 0.000 0.925 274 D HN 0.651 nan 8.370 nan 0.000 0.524 275 S N -0.310 115.329 115.700 -0.103 0.000 2.624 275 S HA 0.278 4.749 4.470 0.001 0.000 0.246 275 S C 0.459 174.998 174.600 -0.102 0.000 1.072 275 S CA -0.580 57.578 58.200 -0.070 0.000 1.045 275 S CB -0.263 62.928 63.200 -0.015 0.000 0.851 275 S HN -0.020 nan 8.310 nan 0.000 0.480 276 L N 2.083 123.166 121.223 -0.233 0.000 2.439 276 L HA 0.523 4.863 4.340 0.001 0.000 0.269 276 L C 0.573 177.283 176.870 -0.265 0.000 1.179 276 L CA -0.157 54.450 54.840 -0.388 0.000 0.828 276 L CB 1.120 42.611 42.059 -0.946 0.000 1.106 276 L HN 0.376 nan 8.230 nan 0.000 0.467 277 S N 0.079 115.748 115.700 -0.053 0.000 2.536 277 S HA 0.288 4.758 4.470 0.001 0.000 0.287 277 S C 0.560 175.360 174.600 0.334 0.000 1.101 277 S CA -0.651 57.637 58.200 0.146 0.000 0.950 277 S CB 1.953 65.208 63.200 0.091 0.000 1.056 277 S HN 0.566 nan 8.310 nan 0.000 0.481 278 S N 2.449 118.349 115.700 0.334 0.000 2.474 278 S HA -0.042 4.429 4.470 0.001 0.000 0.235 278 S C 1.521 176.209 174.600 0.148 0.000 0.997 278 S CA 1.090 59.421 58.200 0.219 0.000 0.949 278 S CB -0.123 63.153 63.200 0.127 0.000 0.766 278 S HN 0.618 nan 8.310 nan 0.000 0.517 279 V N 0.335 120.326 119.914 0.128 0.000 2.825 279 V HA 0.103 4.224 4.120 0.001 0.000 0.246 279 V C 0.755 176.899 176.094 0.082 0.000 1.068 279 V CA 0.757 63.110 62.300 0.088 0.000 1.088 279 V CB -0.274 31.589 31.823 0.066 0.000 0.733 279 V HN 0.312 nan 8.190 nan 0.000 0.468 280 T N 0.736 115.348 114.554 0.096 0.000 2.863 280 T HA 0.396 4.747 4.350 0.001 0.000 0.285 280 T C -0.353 174.411 174.700 0.108 0.000 1.009 280 T CA -0.565 61.581 62.100 0.075 0.000 0.989 280 T CB 1.449 70.351 68.868 0.056 0.000 1.004 280 T HN 0.086 nan 8.240 nan 0.000 0.455 281 N N 1.757 120.508 118.700 0.086 0.000 2.454 281 N HA 0.324 5.065 4.740 0.001 0.000 0.254 281 N C 0.190 175.769 175.510 0.116 0.000 1.228 281 N CA -0.111 53.021 53.050 0.137 0.000 0.900 281 N CB 0.502 39.020 38.487 0.052 0.000 1.089 281 N HN 0.861 nan 8.380 nan 0.000 0.449 282 A N 1.668 124.570 122.820 0.138 0.000 2.462 282 A HA 0.227 4.547 4.320 0.001 0.000 0.243 282 A C 0.218 177.851 177.584 0.083 0.000 1.076 282 A CA 0.090 52.177 52.037 0.084 0.000 0.773 282 A CB 0.023 19.054 19.000 0.051 0.000 1.010 282 A HN 0.542 nan 8.150 nan 0.000 0.493 283 T N 2.798 117.404 114.554 0.087 0.000 2.733 283 T HA 0.399 4.749 4.350 0.001 0.000 0.294 283 T C 0.135 174.917 174.700 0.136 0.000 0.956 283 T CA 0.023 62.185 62.100 0.102 0.000 0.987 283 T CB 0.574 69.507 68.868 0.109 0.000 0.920 283 T HN 0.552 nan 8.240 nan 0.000 0.470 284 S N 3.818 119.591 115.700 0.122 0.000 2.499 284 S HA 0.449 4.919 4.470 0.001 0.000 0.279 284 S C 0.162 174.904 174.600 0.236 0.000 1.219 284 S CA -0.811 57.485 58.200 0.160 0.000 1.062 284 S CB 0.382 63.611 63.200 0.049 0.000 0.978 284 S HN 0.477 nan 8.310 nan 0.000 0.489 285 I N 3.217 123.946 120.570 0.264 0.000 2.315 285 I HA 0.279 4.449 4.170 0.001 0.000 0.291 285 I C 0.538 176.770 176.117 0.192 0.000 1.006 285 I CA -0.302 61.160 61.300 0.270 0.000 1.265 285 I CB 0.966 39.194 38.000 0.381 0.000 1.387 285 I HN 0.663 nan 8.210 nan 0.000 0.475 286 Q N 5.880 125.774 119.800 0.157 0.000 2.288 286 Q HA 0.469 4.809 4.340 0.001 0.000 0.254 286 Q C -1.031 174.920 176.000 -0.082 0.000 0.932 286 Q CA -0.360 55.353 55.803 -0.150 0.000 0.902 286 Q CB 1.220 29.828 28.738 -0.218 0.000 1.203 286 Q HN 0.549 nan 8.270 nan 0.000 0.415 287 I N 3.835 124.337 120.570 -0.113 0.000 2.354 287 I HA 0.204 4.375 4.170 0.001 0.000 0.286 287 I C 0.231 176.344 176.117 -0.008 0.000 1.007 287 I CA -0.649 60.651 61.300 -0.000 0.000 1.167 287 I CB 1.580 39.613 38.000 0.056 0.000 1.320 287 I HN 0.657 nan 8.210 nan 0.000 0.458 288 T N 3.068 117.580 114.554 -0.071 0.000 2.904 288 T HA 0.661 5.012 4.350 0.001 0.000 0.290 288 T C 0.379 174.881 174.700 -0.329 0.000 1.018 288 T CA -0.844 61.154 62.100 -0.171 0.000 1.075 288 T CB 1.545 70.313 68.868 -0.167 0.000 0.986 288 T HN 0.586 nan 8.240 nan 0.000 0.523 289 A N 3.778 126.143 122.820 -0.758 0.000 2.425 289 A HA 0.536 4.857 4.320 0.001 0.000 0.242 289 A C -1.761 175.351 177.584 -0.786 0.000 1.077 289 A CA -1.404 49.767 52.037 -1.444 0.000 0.781 289 A CB -0.756 16.944 19.000 -2.168 0.000 1.020 289 A HN 0.822 nan 8.150 nan 0.000 0.494 290 P HA 0.117 nan 4.420 nan 0.000 0.270 290 P C 0.778 177.876 177.300 -0.337 0.000 1.223 290 P CA 0.590 63.474 63.100 -0.360 0.000 0.785 290 P CB 0.629 32.187 31.700 -0.237 0.000 0.923 291 A N 2.183 124.873 122.820 -0.216 0.000 1.940 291 A HA -0.194 4.127 4.320 0.001 0.000 0.219 291 A C 2.209 179.690 177.584 -0.172 0.000 1.176 291 A CA 2.349 54.278 52.037 -0.180 0.000 0.631 291 A CB -1.779 17.149 19.000 -0.121 0.000 0.814 291 A HN 0.671 nan 8.150 nan 0.000 0.446 292 S N -1.378 114.241 115.700 -0.134 0.000 2.500 292 S HA -0.080 4.391 4.470 0.001 0.000 0.239 292 S C 1.692 176.218 174.600 -0.123 0.000 0.989 292 S CA 1.492 59.635 58.200 -0.095 0.000 0.951 292 S CB -0.285 62.928 63.200 0.022 0.000 0.759 292 S HN 0.407 nan 8.310 nan 0.000 0.523 293 M N 0.717 120.172 119.600 -0.242 0.000 2.556 293 M HA 0.361 4.841 4.480 0.001 0.000 0.264 293 M C 1.999 178.019 176.300 -0.467 0.000 1.163 293 M CA 0.655 55.731 55.300 -0.372 0.000 1.186 293 M CB -1.130 31.086 32.600 -0.640 0.000 1.321 293 M HN 0.316 nan 8.290 nan 0.000 0.485 294 L N 1.085 122.035 121.223 -0.454 0.000 2.353 294 L HA -0.155 4.186 4.340 0.001 0.000 0.220 294 L C 2.287 179.091 176.870 -0.109 0.000 1.133 294 L CA 0.697 55.370 54.840 -0.279 0.000 0.798 294 L CB -0.928 40.986 42.059 -0.242 0.000 0.922 294 L HN 0.314 nan 8.230 nan 0.000 0.445 295 I N -2.485 118.019 120.570 -0.110 0.000 2.567 295 I HA 0.046 4.216 4.170 0.001 0.000 0.257 295 I C 1.133 177.231 176.117 -0.031 0.000 1.184 295 I CA 0.911 62.171 61.300 -0.068 0.000 1.451 295 I CB -0.538 37.413 38.000 -0.082 0.000 1.089 295 I HN 0.114 nan 8.210 nan 0.000 0.441 296 G N -0.184 108.619 108.800 0.004 0.000 2.650 296 G HA2 0.261 4.222 3.960 0.001 0.000 0.310 296 G HA3 0.261 4.222 3.960 0.001 0.000 0.310 296 G C -1.814 173.146 174.900 0.100 0.000 1.270 296 G CA -0.611 44.505 45.100 0.027 0.000 0.810 296 G HN 0.019 nan 8.290 nan 0.000 0.493 297 D N 1.337 121.742 120.400 0.008 0.000 2.443 297 D HA 0.425 5.066 4.640 0.001 0.000 0.239 297 D C 0.403 176.650 176.300 -0.089 0.000 1.136 297 D CA 0.840 54.782 54.000 -0.096 0.000 0.879 297 D CB 0.352 41.064 40.800 -0.147 0.000 1.195 297 D HN 0.560 nan 8.370 nan 0.000 0.443 298 H N -0.866 118.056 119.070 -0.246 0.000 2.948 298 H HA 0.422 4.979 4.556 0.001 0.000 0.315 298 H C -1.417 173.754 175.328 -0.263 0.000 1.360 298 H CA -0.817 55.092 56.048 -0.231 0.000 1.125 298 H CB 0.278 30.038 29.762 -0.003 0.000 1.844 298 H HN 0.293 nan 8.280 nan 0.000 0.529 299 Y N 0.039 120.580 120.300 0.402 0.000 2.545 299 Y HA 0.412 4.963 4.550 0.001 0.000 0.348 299 Y C -0.345 175.863 175.900 0.514 0.000 1.002 299 Y CA -1.163 57.182 58.100 0.407 0.000 1.039 299 Y CB 1.938 40.473 38.460 0.125 0.000 1.271 299 Y HN 0.485 nan 8.280 nan 0.000 0.467 300 L N 2.957 124.553 121.223 0.621 0.000 2.265 300 L HA 0.399 4.740 4.340 0.001 0.000 0.288 300 L C 0.409 177.355 176.870 0.126 0.000 1.058 300 L CA -0.211 54.651 54.840 0.037 0.000 0.809 300 L CB 0.428 42.397 42.059 -0.151 0.000 1.179 300 L HN 0.992 nan 8.230 nan 0.000 0.429 301 C N 1.236 120.456 119.300 -0.134 0.000 3.403 301 C HA 0.503 4.963 4.460 0.001 0.000 0.317 301 C C 0.220 175.038 174.990 -0.285 0.000 1.346 301 C CA -0.409 58.450 59.018 -0.265 0.000 1.743 301 C CB -0.545 27.098 27.740 -0.161 0.000 2.308 301 C HN 0.837 nan 8.230 nan 0.000 0.675 302 D N 0.258 120.524 120.400 -0.222 0.000 2.803 302 D HA 0.476 5.116 4.640 0.001 0.000 0.218 302 D C -1.850 174.192 176.300 -0.431 0.000 1.245 302 D CA 0.098 53.993 54.000 -0.175 0.000 0.821 302 D CB 2.904 43.596 40.800 -0.181 0.000 1.626 302 D HN 0.059 nan 8.370 nan 0.000 0.487 303 V N 2.302 121.897 119.914 -0.533 0.000 2.525 303 V HA 0.526 4.647 4.120 0.001 0.000 0.299 303 V C -0.484 175.243 176.094 -0.611 0.000 1.034 303 V CA -0.411 61.336 62.300 -0.922 0.000 0.863 303 V CB 1.941 32.674 31.823 -1.817 0.000 0.999 303 V HN 0.635 nan 8.190 nan 0.000 0.423 304 T N 3.574 117.849 114.554 -0.466 0.000 3.031 304 T HA 0.334 4.685 4.350 0.001 0.000 0.305 304 T C -0.846 173.722 174.700 -0.221 0.000 0.985 304 T CA -0.447 61.538 62.100 -0.191 0.000 1.008 304 T CB 0.736 69.565 68.868 -0.065 0.000 1.005 304 T HN 0.527 nan 8.240 nan 0.000 0.444 305 W N 2.198 123.440 121.300 -0.096 0.000 2.210 305 W HA 0.454 5.115 4.660 0.001 0.000 0.330 305 W C 1.185 177.570 176.519 -0.224 0.000 1.334 305 W CA -0.266 57.012 57.345 -0.113 0.000 1.227 305 W CB 0.570 30.051 29.460 0.036 0.000 1.178 305 W HN 0.847 nan 8.180 nan 0.000 0.560 306 A N 2.114 124.797 122.820 -0.228 0.000 1.920 306 A HA 0.173 4.493 4.320 0.001 0.000 0.209 306 A C 0.946 178.482 177.584 -0.080 0.000 1.229 306 A CA 1.567 53.231 52.037 -0.621 0.000 0.671 306 A CB -0.395 17.742 19.000 -1.440 0.000 0.886 306 A HN 0.537 nan 8.150 nan 0.000 0.461 307 T N -5.561 109.053 114.554 0.100 0.000 2.654 307 T HA 0.343 4.693 4.350 0.001 0.000 0.289 307 T C 0.202 175.065 174.700 0.273 0.000 1.062 307 T CA -0.354 61.850 62.100 0.173 0.000 1.041 307 T CB 0.652 69.608 68.868 0.147 0.000 1.417 307 T HN -0.016 nan 8.240 nan 0.000 0.510 308 Q N 0.317 120.243 119.800 0.209 0.000 2.291 308 Q HA 0.022 4.363 4.340 0.001 0.000 0.206 308 Q C 0.871 177.116 176.000 0.409 0.000 0.976 308 Q CA 1.458 57.386 55.803 0.209 0.000 0.875 308 Q CB -0.092 28.729 28.738 0.139 0.000 0.927 308 Q HN 0.826 nan 8.270 nan 0.000 0.450 309 E N -0.253 120.196 120.200 0.415 0.000 2.759 309 E HA 0.188 4.539 4.350 0.001 0.000 0.220 309 E C -0.139 176.734 176.600 0.455 0.000 0.974 309 E CA -0.176 56.480 56.400 0.427 0.000 1.148 309 E CB 1.073 30.924 29.700 0.251 0.000 1.059 309 E HN -0.039 nan 8.360 nan 0.000 0.493 310 R N 1.712 122.508 120.500 0.492 0.000 2.502 310 R HA 0.522 4.862 4.340 0.001 0.000 0.300 310 R C -1.666 174.683 176.300 0.082 0.000 0.984 310 R CA -0.450 55.816 56.100 0.277 0.000 0.882 310 R CB 1.276 31.622 30.300 0.075 0.000 1.180 310 R HN 0.059 nan 8.270 nan 0.000 0.444 311 I N 3.294 123.740 120.570 -0.206 0.000 2.509 311 I HA 0.410 4.580 4.170 0.001 0.000 0.293 311 I C -0.801 175.000 176.117 -0.527 0.000 1.020 311 I CA -0.486 60.392 61.300 -0.704 0.000 1.088 311 I CB 2.132 39.255 38.000 -1.461 0.000 1.267 311 I HN 0.837 nan 8.210 nan 0.000 0.430 312 S N 7.692 123.070 115.700 -0.536 0.000 2.509 312 S HA 0.783 5.254 4.470 0.001 0.000 0.297 312 S C -0.946 173.331 174.600 -0.538 0.000 1.118 312 S CA -0.717 57.243 58.200 -0.401 0.000 1.074 312 S CB 1.537 64.612 63.200 -0.208 0.000 1.038 312 S HN 0.557 nan 8.310 nan 0.000 0.498 313 L N 1.761 122.677 121.223 -0.511 0.000 2.401 313 L HA 0.571 4.911 4.340 0.001 0.000 0.266 313 L C -0.466 176.097 176.870 -0.511 0.000 0.991 313 L CA -0.806 53.618 54.840 -0.693 0.000 0.818 313 L CB 2.123 43.624 42.059 -0.929 0.000 1.321 313 L HN 0.671 nan 8.230 nan 0.000 0.413 314 Q N 1.236 120.710 119.800 -0.544 0.000 2.337 314 Q HA 0.467 4.808 4.340 0.001 0.000 0.266 314 Q C -1.741 174.007 176.000 -0.420 0.000 1.023 314 Q CA -0.550 55.050 55.803 -0.338 0.000 0.829 314 Q CB 2.508 31.116 28.738 -0.216 0.000 1.306 314 Q HN 0.413 nan 8.270 nan 0.000 0.449 315 W N 2.201 123.454 121.300 -0.077 0.000 2.627 315 W HA 0.624 5.285 4.660 0.001 0.000 0.339 315 W C -0.908 175.641 176.519 0.050 0.000 1.058 315 W CA -0.680 56.668 57.345 0.006 0.000 1.223 315 W CB 1.100 30.541 29.460 -0.031 0.000 1.389 315 W HN 0.377 nan 8.180 nan 0.000 0.541 316 L N 2.786 124.236 121.223 0.378 0.000 2.410 316 L HA 0.555 4.896 4.340 0.001 0.000 0.270 316 L C -0.061 177.006 176.870 0.327 0.000 0.983 316 L CA -1.161 53.862 54.840 0.305 0.000 0.822 316 L CB 1.299 43.525 42.059 0.278 0.000 1.285 316 L HN 0.391 nan 8.230 nan 0.000 0.409 317 R N 2.535 123.191 120.500 0.261 0.000 2.694 317 R HA 0.182 4.523 4.340 0.001 0.000 0.268 317 R C 1.004 177.374 176.300 0.118 0.000 1.061 317 R CA -0.117 56.087 56.100 0.174 0.000 1.133 317 R CB 0.555 30.949 30.300 0.156 0.000 1.020 317 R HN 0.659 nan 8.270 nan 0.000 0.475 318 R N 1.420 121.902 120.500 -0.029 0.000 2.127 318 R HA -0.068 4.272 4.340 0.001 0.000 0.238 318 R C 0.410 176.762 176.300 0.087 0.000 1.134 318 R CA 1.098 57.163 56.100 -0.057 0.000 0.975 318 R CB 0.186 30.399 30.300 -0.145 0.000 0.865 318 R HN 0.380 nan 8.270 nan 0.000 0.447 319 I N 2.903 123.511 120.570 0.063 0.000 2.311 319 I HA 0.003 4.174 4.170 0.001 0.000 0.297 319 I C 0.213 176.392 176.117 0.103 0.000 1.131 319 I CA 0.490 61.830 61.300 0.067 0.000 1.289 319 I CB 0.842 38.866 38.000 0.040 0.000 1.446 319 I HN 0.269 nan 8.210 nan 0.000 0.524 320 Q N 4.211 124.070 119.800 0.098 0.000 2.292 320 Q HA -0.021 4.320 4.340 0.001 0.000 0.247 320 Q C 0.632 176.708 176.000 0.126 0.000 0.911 320 Q CA 0.019 55.893 55.803 0.119 0.000 0.948 320 Q CB -0.214 28.556 28.738 0.053 0.000 1.093 320 Q HN 0.632 nan 8.270 nan 0.000 0.428 321 N N -0.824 117.953 118.700 0.128 0.000 2.214 321 N HA -0.040 4.700 4.740 0.001 0.000 0.214 321 N C -1.010 174.608 175.510 0.179 0.000 1.132 321 N CA -0.165 52.954 53.050 0.115 0.000 0.856 321 N CB 0.267 38.797 38.487 0.072 0.000 1.020 321 N HN 0.179 nan 8.380 nan 0.000 0.509 322 Y N 0.022 120.349 120.300 0.044 0.000 2.361 322 Y HA 0.556 5.107 4.550 0.001 0.000 0.328 322 Y C -1.130 174.808 175.900 0.063 0.000 1.044 322 Y CA -0.850 57.276 58.100 0.043 0.000 1.085 322 Y CB 1.705 40.182 38.460 0.029 0.000 1.194 322 Y HN 0.017 nan 8.280 nan 0.000 0.438 323 S N 4.262 119.838 115.700 -0.207 0.000 2.570 323 S HA 0.894 5.364 4.470 0.001 0.000 0.286 323 S C -2.022 172.462 174.600 -0.193 0.000 1.099 323 S CA -0.495 57.657 58.200 -0.080 0.000 0.913 323 S CB 1.422 64.607 63.200 -0.025 0.000 1.085 323 S HN 0.447 nan 8.310 nan 0.000 0.480 324 V N 4.663 124.561 119.914 -0.027 0.000 2.638 324 V HA 0.512 4.632 4.120 0.001 0.000 0.306 324 V C -0.311 175.813 176.094 0.050 0.000 1.052 324 V CA -0.657 61.635 62.300 -0.013 0.000 0.885 324 V CB 1.792 33.636 31.823 0.036 0.000 0.999 324 V HN 0.958 nan 8.190 nan 0.000 0.424 325 M N 3.712 123.317 119.600 0.009 0.000 2.157 325 M HA 0.500 4.981 4.480 0.001 0.000 0.354 325 M C -1.174 175.141 176.300 0.025 0.000 1.170 325 M CA -0.265 55.022 55.300 -0.022 0.000 1.060 325 M CB 1.044 33.587 32.600 -0.095 0.000 1.615 325 M HN 0.608 nan 8.290 nan 0.000 0.460 326 D N 5.158 125.566 120.400 0.014 0.000 2.163 326 D HA 0.505 5.146 4.640 0.001 0.000 0.248 326 D C -0.925 175.349 176.300 -0.044 0.000 1.035 326 D CA -0.031 53.975 54.000 0.009 0.000 0.872 326 D CB 1.619 42.448 40.800 0.049 0.000 1.183 326 D HN 0.589 nan 8.370 nan 0.000 0.445 327 I N 2.365 122.935 120.570 0.000 0.000 2.382 327 I HA 0.282 4.452 4.170 0.001 0.000 0.286 327 I C -0.584 175.539 176.117 0.010 0.000 1.002 327 I CA -0.547 60.751 61.300 -0.004 0.000 1.135 327 I CB 1.243 39.299 38.000 0.094 0.000 1.288 327 I HN 0.161 nan 8.210 nan 0.000 0.448 328 c N 3.952 122.548 118.600 -0.006 0.000 2.379 328 c HA 0.525 5.095 4.570 0.001 0.000 0.323 328 c C -0.385 173.855 174.090 0.250 0.000 1.262 328 c CA -0.727 55.665 56.329 0.105 0.000 1.581 328 c CB 0.962 43.526 42.510 0.089 0.000 2.221 328 c HN 0.585 nan 8.230 nan 0.000 0.497 329 D N 0.624 121.146 120.400 0.203 0.000 2.256 329 D HA 0.311 4.952 4.640 0.001 0.000 0.246 329 D C -0.577 175.634 176.300 -0.149 0.000 1.042 329 D CA -0.205 53.855 54.000 0.100 0.000 0.841 329 D CB 0.834 41.650 40.800 0.027 0.000 1.223 329 D HN 0.558 nan 8.370 nan 0.000 0.470 330 Y N 1.710 121.555 120.300 -0.758 0.000 2.526 330 Y HA 0.164 4.715 4.550 0.001 0.000 0.330 330 Y C -0.077 175.514 175.900 -0.514 0.000 1.156 330 Y CA 0.054 57.422 58.100 -1.219 0.000 1.419 330 Y CB 0.603 38.219 38.460 -1.407 0.000 1.250 330 Y HN 0.195 nan 8.280 nan 0.000 0.540 331 D N 5.203 124.964 120.400 -1.064 0.000 2.427 331 D HA 0.090 4.731 4.640 0.001 0.000 0.226 331 D C 0.673 176.396 176.300 -0.962 0.000 1.076 331 D CA -0.172 53.401 54.000 -0.712 0.000 0.849 331 D CB 0.819 41.364 40.800 -0.424 0.000 1.052 331 D HN 0.820 nan 8.370 nan 0.000 0.515 332 E N 1.843 121.686 120.200 -0.594 0.000 2.268 332 E HA -0.152 4.199 4.350 0.001 0.000 0.195 332 E C 1.171 177.673 176.600 -0.163 0.000 0.995 332 E CA 0.953 57.184 56.400 -0.282 0.000 0.836 332 E CB 0.382 30.098 29.700 0.027 0.000 0.763 332 E HN 0.501 nan 8.360 nan 0.000 0.491 333 S N -0.628 114.966 115.700 -0.177 0.000 2.439 333 S HA -0.061 4.410 4.470 0.001 0.000 0.224 333 S C 2.015 176.555 174.600 -0.099 0.000 1.029 333 S CA 0.727 58.868 58.200 -0.098 0.000 0.946 333 S CB 0.262 63.416 63.200 -0.078 0.000 0.797 333 S HN 0.235 nan 8.310 nan 0.000 0.504 334 S N 0.185 115.788 115.700 -0.162 0.000 2.502 334 S HA 0.466 4.937 4.470 0.001 0.000 0.215 334 S C 1.691 176.224 174.600 -0.112 0.000 1.009 334 S CA 0.577 58.706 58.200 -0.118 0.000 0.908 334 S CB -0.380 62.749 63.200 -0.118 0.000 0.801 334 S HN 1.402 nan 8.310 nan 0.000 0.505 335 G N 1.927 110.587 108.800 -0.233 0.000 2.166 335 G HA2 -0.240 3.721 3.960 0.001 0.000 0.260 335 G HA3 -0.240 3.721 3.960 0.001 0.000 0.260 335 G C 0.153 175.006 174.900 -0.078 0.000 0.986 335 G CA 0.284 45.316 45.100 -0.115 0.000 0.683 335 G HN 0.521 nan 8.290 nan 0.000 0.527 336 R N -1.356 119.010 120.500 -0.223 0.000 2.607 336 R HA 0.594 4.935 4.340 0.001 0.000 0.261 336 R C -0.605 175.566 176.300 -0.216 0.000 1.051 336 R CA -0.906 55.152 56.100 -0.069 0.000 1.110 336 R CB 0.485 30.767 30.300 -0.030 0.000 1.158 336 R HN 0.207 nan 8.270 nan 0.000 0.543 337 W N 0.789 122.084 121.300 -0.009 0.000 2.361 337 W HA 0.373 5.034 4.660 0.001 0.000 0.314 337 W C -0.306 176.191 176.519 -0.037 0.000 1.041 337 W CA -0.403 56.934 57.345 -0.013 0.000 1.241 337 W CB 0.829 30.288 29.460 -0.001 0.000 1.279 337 W HN 0.409 nan 8.180 nan 0.000 0.436 338 N N 2.377 121.140 118.700 0.105 0.000 2.400 338 N HA 0.514 5.255 4.740 0.001 0.000 0.288 338 N C -1.359 174.189 175.510 0.064 0.000 1.024 338 N CA -0.660 52.422 53.050 0.054 0.000 0.894 338 N CB 1.158 39.639 38.487 -0.010 0.000 1.173 338 N HN 0.174 nan 8.380 nan 0.000 0.487 339 c N 3.047 121.672 118.600 0.041 0.000 2.242 339 c HA 0.349 4.920 4.570 0.001 0.000 0.317 339 c C 0.474 174.566 174.090 0.003 0.000 1.087 339 c CA -1.100 55.244 56.329 0.026 0.000 1.535 339 c CB -1.417 41.102 42.510 0.015 0.000 1.893 339 c HN 0.637 nan 8.230 nan 0.000 0.426 340 L N 2.462 123.689 121.223 0.006 0.000 2.540 340 L HA 0.018 4.359 4.340 0.001 0.000 0.276 340 L C 1.535 178.393 176.870 -0.020 0.000 1.212 340 L CA 0.145 54.981 54.840 -0.007 0.000 0.893 340 L CB 0.603 42.662 42.059 0.001 0.000 1.138 340 L HN 0.591 nan 8.230 nan 0.000 0.491 341 V N 2.842 122.737 119.914 -0.031 0.000 2.407 341 V HA -0.279 3.842 4.120 0.001 0.000 0.248 341 V C 2.333 178.390 176.094 -0.061 0.000 1.055 341 V CA 1.810 64.082 62.300 -0.046 0.000 1.049 341 V CB -0.910 30.887 31.823 -0.043 0.000 0.662 341 V HN 1.027 nan 8.190 nan 0.000 0.455 342 A N 0.196 122.987 122.820 -0.048 0.000 2.139 342 A HA -0.199 4.122 4.320 0.001 0.000 0.221 342 A C 2.232 179.767 177.584 -0.082 0.000 1.159 342 A CA 1.601 53.604 52.037 -0.056 0.000 0.662 342 A CB -0.448 18.535 19.000 -0.028 0.000 0.796 342 A HN 0.597 nan 8.150 nan 0.000 0.463 343 R N -0.813 119.648 120.500 -0.065 0.000 2.468 343 R HA 0.169 4.510 4.340 0.001 0.000 0.280 343 R C 0.017 176.233 176.300 -0.140 0.000 0.963 343 R CA -0.193 55.880 56.100 -0.046 0.000 1.083 343 R CB 0.264 30.603 30.300 0.066 0.000 1.200 343 R HN 0.576 nan 8.270 nan 0.000 0.541 344 Q N 0.824 120.500 119.800 -0.206 0.000 2.327 344 Q HA 0.122 4.463 4.340 0.001 0.000 0.254 344 Q C -0.644 175.114 176.000 -0.404 0.000 0.952 344 Q CA 0.274 55.967 55.803 -0.184 0.000 0.884 344 Q CB 0.919 29.595 28.738 -0.102 0.000 1.224 344 Q HN 0.233 nan 8.270 nan 0.000 0.422 345 H N 2.936 122.009 119.070 0.005 0.000 2.727 345 H HA 0.349 4.906 4.556 0.001 0.000 0.330 345 H C -0.631 174.671 175.328 -0.043 0.000 0.986 345 H CA -0.455 55.602 56.048 0.015 0.000 1.251 345 H CB 0.885 30.662 29.762 0.024 0.000 1.493 345 H HN 0.507 nan 8.280 nan 0.000 0.515 346 I N 2.250 122.834 120.570 0.025 0.000 2.396 346 I HA 0.117 4.288 4.170 0.001 0.000 0.292 346 I C 0.478 176.545 176.117 -0.085 0.000 0.999 346 I CA 0.030 61.257 61.300 -0.121 0.000 1.310 346 I CB 1.174 39.072 38.000 -0.170 0.000 1.404 346 I HN 0.488 nan 8.210 nan 0.000 0.496 347 E N 8.242 128.337 120.200 -0.175 0.000 2.216 347 E HA 0.543 4.894 4.350 0.001 0.000 0.260 347 E C -1.154 175.353 176.600 -0.154 0.000 0.880 347 E CA -0.735 55.609 56.400 -0.092 0.000 0.765 347 E CB 1.300 30.981 29.700 -0.032 0.000 1.174 347 E HN 0.614 nan 8.360 nan 0.000 0.417 348 M N 1.438 120.988 119.600 -0.083 0.000 2.691 348 M HA 0.654 5.135 4.480 0.001 0.000 0.293 348 M C -1.112 175.192 176.300 0.008 0.000 1.259 348 M CA -0.922 54.361 55.300 -0.029 0.000 0.827 348 M CB 2.319 34.944 32.600 0.042 0.000 1.753 348 M HN 0.263 nan 8.290 nan 0.000 0.465 349 S N -0.368 115.343 115.700 0.018 0.000 2.557 349 S HA 0.515 4.985 4.470 0.001 0.000 0.291 349 S C 0.326 174.921 174.600 -0.008 0.000 1.116 349 S CA -0.074 58.118 58.200 -0.012 0.000 0.992 349 S CB 1.675 64.831 63.200 -0.072 0.000 1.028 349 S HN 0.901 nan 8.310 nan 0.000 0.484 350 T N 0.109 114.658 114.554 -0.008 0.000 3.065 350 T HA 0.050 4.401 4.350 0.001 0.000 0.252 350 T C 1.478 176.162 174.700 -0.026 0.000 1.099 350 T CA 0.960 63.057 62.100 -0.006 0.000 1.063 350 T CB -0.328 68.543 68.868 0.004 0.000 0.948 350 T HN 0.675 nan 8.240 nan 0.000 0.506 351 T N -2.350 112.177 114.554 -0.044 0.000 2.990 351 T HA 0.612 4.962 4.350 0.001 0.000 0.249 351 T C 1.112 175.660 174.700 -0.253 0.000 1.039 351 T CA 0.370 62.445 62.100 -0.041 0.000 1.036 351 T CB 0.468 69.385 68.868 0.082 0.000 0.994 351 T HN 0.584 nan 8.240 nan 0.000 0.489 352 G N 0.397 108.873 108.800 -0.540 0.000 2.791 352 G HA2 0.488 4.448 3.960 0.001 0.000 0.158 352 G HA3 0.488 4.448 3.960 0.001 0.000 0.158 352 G C -1.628 173.009 174.900 -0.438 0.000 1.193 352 G CA -0.574 43.996 45.100 -0.883 0.000 1.032 352 G HN 0.498 nan 8.290 nan 0.000 0.557 353 W N -0.090 120.934 121.300 -0.460 0.000 2.367 353 W HA 0.753 5.414 4.660 0.001 0.000 0.369 353 W C -0.414 176.046 176.519 -0.098 0.000 1.276 353 W CA -1.293 55.917 57.345 -0.225 0.000 1.415 353 W CB 0.726 30.025 29.460 -0.268 0.000 1.306 353 W HN 0.259 nan 8.180 nan 0.000 0.669 354 V N 3.044 123.022 119.914 0.106 0.000 2.407 354 V HA 0.696 4.817 4.120 0.001 0.000 0.278 354 V C 0.766 176.925 176.094 0.109 0.000 1.037 354 V CA 0.381 62.706 62.300 0.040 0.000 0.900 354 V CB -0.017 31.832 31.823 0.043 0.000 0.983 354 V HN 1.284 nan 8.190 nan 0.000 0.459 355 G N 5.097 113.920 108.800 0.039 0.000 2.795 355 G HA2 -0.180 3.781 3.960 0.001 0.000 0.664 355 G HA3 -0.180 3.781 3.960 0.001 0.000 0.664 355 G C 0.307 175.288 174.900 0.136 0.000 1.381 355 G CA 0.134 45.286 45.100 0.087 0.000 0.853 355 G HN 0.641 nan 8.290 nan 0.000 0.545 356 R N -0.605 119.978 120.500 0.137 0.000 2.061 356 R HA 0.084 4.425 4.340 0.001 0.000 0.230 356 R C 1.989 178.287 176.300 -0.004 0.000 1.140 356 R CA 2.264 58.416 56.100 0.087 0.000 0.940 356 R CB -0.126 30.249 30.300 0.125 0.000 0.839 356 R HN 0.487 nan 8.270 nan 0.000 0.429 357 F N -0.832 119.263 119.950 0.240 0.000 2.784 357 F HA 0.269 4.796 4.527 0.001 0.000 0.323 357 F C 0.323 176.154 175.800 0.052 0.000 1.085 357 F CA -0.523 57.567 58.000 0.151 0.000 1.196 357 F CB 0.761 39.847 39.000 0.143 0.000 1.053 357 F HN -0.080 nan 8.300 nan 0.000 0.578 358 R N -1.260 119.371 120.500 0.218 0.000 2.728 358 R HA 0.415 4.756 4.340 0.001 0.000 0.274 358 R C -3.370 172.984 176.300 0.089 0.000 1.032 358 R CA -1.958 54.195 56.100 0.089 0.000 0.866 358 R CB 0.095 30.392 30.300 -0.005 0.000 1.263 358 R HN -0.368 nan 8.270 nan 0.000 0.475 359 P HA -0.032 nan 4.420 nan 0.000 0.265 359 P C -0.256 177.063 177.300 0.031 0.000 1.187 359 P CA 0.115 63.233 63.100 0.029 0.000 0.766 359 P CB 0.666 32.360 31.700 -0.010 0.000 0.820 360 S N 1.679 117.411 115.700 0.052 0.000 2.600 360 S HA 0.161 4.632 4.470 0.001 0.000 0.265 360 S C 0.224 174.849 174.600 0.042 0.000 1.325 360 S CA -0.722 57.526 58.200 0.081 0.000 1.002 360 S CB 0.367 63.634 63.200 0.113 0.000 0.921 360 S HN 0.537 nan 8.310 nan 0.000 0.554 361 E N 1.250 121.496 120.200 0.077 0.000 2.331 361 E HA 0.365 4.716 4.350 0.001 0.000 0.272 361 E C -2.781 173.834 176.600 0.025 0.000 1.036 361 E CA -2.289 54.119 56.400 0.013 0.000 0.864 361 E CB 0.275 29.985 29.700 0.018 0.000 1.035 361 E HN 0.428 nan 8.360 nan 0.000 0.408 362 P HA 0.219 nan 4.420 nan 0.000 0.281 362 P C -0.712 176.518 177.300 -0.117 0.000 1.249 362 P CA -0.272 62.734 63.100 -0.156 0.000 0.810 362 P CB 0.717 31.995 31.700 -0.703 0.000 1.008 363 H N 1.806 120.903 119.070 0.045 0.000 2.792 363 H HA 0.290 4.846 4.556 0.001 0.000 0.298 363 H C -0.355 175.097 175.328 0.207 0.000 1.042 363 H CA -0.344 55.810 56.048 0.178 0.000 1.300 363 H CB 0.267 30.154 29.762 0.208 0.000 1.431 363 H HN 0.311 nan 8.280 nan 0.000 0.496 364 F N 1.926 122.053 119.950 0.294 0.000 2.389 364 F HA 0.044 4.572 4.527 0.001 0.000 0.337 364 F C 1.664 177.653 175.800 0.316 0.000 1.112 364 F CA -0.363 57.821 58.000 0.306 0.000 1.192 364 F CB 1.017 40.127 39.000 0.184 0.000 1.185 364 F HN 0.390 nan 8.300 nan 0.000 0.552 365 T N 0.397 115.252 114.554 0.501 0.000 2.701 365 T HA 0.072 4.423 4.350 0.001 0.000 0.303 365 T C 1.226 176.119 174.700 0.322 0.000 1.030 365 T CA -0.789 61.542 62.100 0.386 0.000 1.010 365 T CB 0.577 69.659 68.868 0.355 0.000 1.007 365 T HN 0.383 nan 8.240 nan 0.000 0.532 366 L N 1.638 123.005 121.223 0.240 0.000 2.013 366 L HA -0.042 4.299 4.340 0.001 0.000 0.212 366 L C 2.378 179.359 176.870 0.185 0.000 1.073 366 L CA 2.185 57.140 54.840 0.192 0.000 0.753 366 L CB -1.468 40.681 42.059 0.149 0.000 0.890 366 L HN 0.962 nan 8.230 nan 0.000 0.432 367 D N -1.710 118.802 120.400 0.188 0.000 2.363 367 D HA 0.062 4.703 4.640 0.001 0.000 0.220 367 D C 1.577 177.994 176.300 0.195 0.000 0.994 367 D CA 0.776 54.877 54.000 0.169 0.000 0.890 367 D CB -0.424 40.464 40.800 0.146 0.000 0.906 367 D HN 0.306 nan 8.370 nan 0.000 0.530 368 G N 0.588 109.549 108.800 0.269 0.000 2.187 368 G HA2 -0.367 3.593 3.960 0.001 0.000 0.261 368 G HA3 -0.367 3.593 3.960 0.001 0.000 0.261 368 G C 0.895 176.026 174.900 0.385 0.000 1.000 368 G CA 0.476 45.780 45.100 0.341 0.000 0.718 368 G HN 0.367 nan 8.290 nan 0.000 0.519 369 N N -0.010 118.876 118.700 0.310 0.000 2.422 369 N HA 0.156 4.896 4.740 0.001 0.000 0.181 369 N C 1.087 176.740 175.510 0.240 0.000 1.080 369 N CA 1.149 54.348 53.050 0.248 0.000 0.893 369 N CB 0.382 38.969 38.487 0.166 0.000 0.973 369 N HN 0.899 nan 8.380 nan 0.000 0.456 370 S N -0.501 115.372 115.700 0.287 0.000 2.638 370 S HA 0.778 5.248 4.470 0.001 0.000 0.274 370 S C -0.934 173.776 174.600 0.183 0.000 1.157 370 S CA -0.994 57.270 58.200 0.108 0.000 0.826 370 S CB 1.814 64.991 63.200 -0.038 0.000 1.139 370 S HN 0.129 nan 8.310 nan 0.000 0.474 371 F N -1.967 117.829 119.950 -0.257 0.000 2.668 371 F HA 0.812 5.340 4.527 0.001 0.000 0.309 371 F C -2.214 173.425 175.800 -0.268 0.000 1.117 371 F CA -1.496 56.289 58.000 -0.359 0.000 0.951 371 F CB 0.663 39.045 39.000 -1.029 0.000 1.323 371 F HN 0.592 nan 8.300 nan 0.000 0.451 372 Y N 1.233 121.673 120.300 0.233 0.000 2.409 372 Y HA 0.691 5.242 4.550 0.001 0.000 0.339 372 Y C -0.222 175.822 175.900 0.241 0.000 1.033 372 Y CA -0.890 57.325 58.100 0.191 0.000 1.094 372 Y CB 2.152 40.672 38.460 0.099 0.000 1.210 372 Y HN 0.697 nan 8.280 nan 0.000 0.456 373 K N 3.048 123.653 120.400 0.341 0.000 2.543 373 K HA 0.520 4.841 4.320 0.001 0.000 0.255 373 K C -1.671 175.055 176.600 0.210 0.000 0.934 373 K CA -0.594 55.856 56.287 0.273 0.000 0.810 373 K CB 1.659 34.285 32.500 0.211 0.000 1.315 373 K HN 0.711 nan 8.250 nan 0.000 0.433 374 I N 6.274 126.944 120.570 0.166 0.000 2.396 374 I HA 0.257 4.427 4.170 0.001 0.000 0.289 374 I C 0.245 176.448 176.117 0.144 0.000 1.056 374 I CA -0.303 61.077 61.300 0.133 0.000 1.365 374 I CB 0.357 38.418 38.000 0.102 0.000 1.407 374 I HN 0.474 nan 8.210 nan 0.000 0.509 375 I N 2.008 122.690 120.570 0.186 0.000 3.074 375 I HA 0.489 4.660 4.170 0.001 0.000 0.310 375 I C -0.244 175.999 176.117 0.211 0.000 1.153 375 I CA -0.818 60.592 61.300 0.182 0.000 0.993 375 I CB 2.166 40.284 38.000 0.196 0.000 1.237 375 I HN 0.379 nan 8.210 nan 0.000 0.443 376 S N 3.002 118.763 115.700 0.103 0.000 2.488 376 S HA 0.219 4.689 4.470 0.001 0.000 0.278 376 S C 0.065 174.703 174.600 0.063 0.000 1.259 376 S CA -0.521 57.684 58.200 0.009 0.000 1.061 376 S CB -0.388 62.753 63.200 -0.098 0.000 0.910 376 S HN 0.822 nan 8.310 nan 0.000 0.491 377 N N 4.336 122.966 118.700 -0.116 0.000 2.322 377 N HA 0.132 4.872 4.740 0.001 0.000 0.270 377 N C 0.754 176.152 175.510 -0.186 0.000 1.286 377 N CA -0.269 52.551 53.050 -0.383 0.000 0.948 377 N CB -0.006 37.839 38.487 -1.070 0.000 1.164 377 N HN 0.558 nan 8.380 nan 0.000 0.551 378 E N -0.550 119.535 120.200 -0.192 0.000 2.265 378 E HA -0.122 4.228 4.350 0.001 0.000 0.196 378 E C 0.540 177.080 176.600 -0.100 0.000 0.996 378 E CA 0.867 57.205 56.400 -0.104 0.000 0.832 378 E CB -0.104 29.547 29.700 -0.082 0.000 0.756 378 E HN 0.634 nan 8.360 nan 0.000 0.491 379 E N -0.363 119.774 120.200 -0.105 0.000 2.489 379 E HA 0.090 4.441 4.350 0.001 0.000 0.193 379 E C 1.174 177.725 176.600 -0.081 0.000 1.057 379 E CA 0.553 56.938 56.400 -0.024 0.000 0.866 379 E CB 0.357 30.106 29.700 0.082 0.000 0.916 379 E HN 0.292 nan 8.360 nan 0.000 0.500 380 G N 1.170 109.871 108.800 -0.165 0.000 2.136 380 G HA2 -0.291 3.670 3.960 0.001 0.000 0.242 380 G HA3 -0.291 3.670 3.960 0.001 0.000 0.242 380 G C -0.361 174.260 174.900 -0.465 0.000 0.989 380 G CA 0.066 44.975 45.100 -0.318 0.000 0.682 380 G HN 0.235 nan 8.290 nan 0.000 0.522 381 Y N -0.044 120.124 120.300 -0.221 0.000 2.342 381 Y HA 0.636 5.187 4.550 0.001 0.000 0.334 381 Y C 1.173 176.906 175.900 -0.279 0.000 1.067 381 Y CA -0.920 57.032 58.100 -0.247 0.000 1.128 381 Y CB 1.060 39.387 38.460 -0.222 0.000 1.200 381 Y HN 0.088 nan 8.280 nan 0.000 0.464 382 R N 3.553 123.914 120.500 -0.232 0.000 2.248 382 R HA 0.291 4.631 4.340 0.001 0.000 0.328 382 R C -0.790 175.216 176.300 -0.489 0.000 1.067 382 R CA -0.143 55.828 56.100 -0.216 0.000 0.924 382 R CB 0.172 30.400 30.300 -0.120 0.000 1.013 382 R HN 0.656 nan 8.270 nan 0.000 0.454 383 H N 1.688 120.738 119.070 -0.034 0.000 2.949 383 H HA 0.351 4.908 4.556 0.001 0.000 0.356 383 H C -0.214 175.181 175.328 0.112 0.000 1.212 383 H CA -0.944 55.065 56.048 -0.065 0.000 1.136 383 H CB 1.649 31.276 29.762 -0.225 0.000 1.869 383 H HN 0.321 nan 8.280 nan 0.000 0.556 384 I N 1.267 121.923 120.570 0.143 0.000 2.352 384 I HA 0.063 4.234 4.170 0.001 0.000 0.290 384 I C 0.333 176.470 176.117 0.035 0.000 1.036 384 I CA 0.049 61.385 61.300 0.060 0.000 1.336 384 I CB 0.424 38.373 38.000 -0.084 0.000 1.407 384 I HN 0.149 nan 8.210 nan 0.000 0.497 385 c N 7.150 125.691 118.600 -0.099 0.000 2.411 385 c HA 0.423 4.994 4.570 0.001 0.000 0.330 385 c C -0.422 173.511 174.090 -0.262 0.000 1.224 385 c CA -0.459 55.578 56.329 -0.488 0.000 1.770 385 c CB 0.842 42.772 42.510 -0.966 0.000 2.297 385 c HN 0.630 nan 8.230 nan 0.000 0.507 386 Y N 4.723 124.677 120.300 -0.576 0.000 2.335 386 Y HA 0.635 5.186 4.550 0.001 0.000 0.339 386 Y C -1.002 174.427 175.900 -0.786 0.000 0.987 386 Y CA -1.090 56.611 58.100 -0.666 0.000 1.140 386 Y CB 0.202 38.355 38.460 -0.512 0.000 1.173 386 Y HN 0.628 nan 8.280 nan 0.000 0.486 387 F N 4.399 123.618 119.950 -1.219 0.000 2.480 387 F HA 0.440 4.968 4.527 0.001 0.000 0.329 387 F C -0.037 175.024 175.800 -1.232 0.000 1.091 387 F CA -0.966 56.252 58.000 -1.302 0.000 0.972 387 F CB 1.415 39.228 39.000 -1.977 0.000 1.150 387 F HN 0.285 nan 8.300 nan 0.000 0.467 388 Q N 3.180 122.628 119.800 -0.586 0.000 2.235 388 Q HA 0.278 4.619 4.340 0.001 0.000 0.250 388 Q C 1.243 177.229 176.000 -0.024 0.000 0.909 388 Q CA -0.331 55.283 55.803 -0.314 0.000 0.910 388 Q CB 1.655 30.265 28.738 -0.213 0.000 1.223 388 Q HN 0.866 nan 8.270 nan 0.000 0.432 389 I N -1.232 119.423 120.570 0.141 0.000 2.454 389 I HA -0.178 3.992 4.170 0.001 0.000 0.254 389 I C 0.465 176.806 176.117 0.374 0.000 1.156 389 I CA 1.522 63.057 61.300 0.391 0.000 1.433 389 I CB -0.091 38.141 38.000 0.386 0.000 1.082 389 I HN 0.360 nan 8.210 nan 0.000 0.432 390 D N 0.362 120.871 120.400 0.182 0.000 2.593 390 D HA 0.242 4.883 4.640 0.001 0.000 0.241 390 D C -0.080 176.249 176.300 0.047 0.000 1.257 390 D CA -0.329 53.725 54.000 0.091 0.000 0.828 390 D CB 0.042 40.874 40.800 0.055 0.000 1.049 390 D HN 0.342 nan 8.370 nan 0.000 0.490 391 K N 0.366 120.819 120.400 0.089 0.000 2.378 391 K HA 0.274 4.594 4.320 0.001 0.000 0.252 391 K C 0.470 177.129 176.600 0.099 0.000 0.931 391 K CA -0.711 55.595 56.287 0.032 0.000 0.794 391 K CB 3.076 35.551 32.500 -0.042 0.000 1.181 391 K HN -0.182 nan 8.250 nan 0.000 0.425 392 K N 0.943 121.357 120.400 0.023 0.000 2.062 392 K HA -0.049 4.272 4.320 0.001 0.000 0.205 392 K C -0.147 176.463 176.600 0.015 0.000 1.051 392 K CA 1.283 57.595 56.287 0.042 0.000 0.941 392 K CB 0.268 32.762 32.500 -0.010 0.000 0.719 392 K HN 0.499 nan 8.250 nan 0.000 0.440 393 D N 1.045 121.395 120.400 -0.082 0.000 2.308 393 D HA 0.051 4.692 4.640 0.001 0.000 0.251 393 D C -0.079 175.998 176.300 -0.371 0.000 1.127 393 D CA -0.185 53.706 54.000 -0.183 0.000 0.876 393 D CB 1.038 41.752 40.800 -0.143 0.000 1.176 393 D HN 0.310 nan 8.370 nan 0.000 0.446 394 c N 0.633 118.856 118.600 -0.628 0.000 2.349 394 c HA 0.796 5.366 4.570 0.001 0.000 0.361 394 c C 0.263 173.951 174.090 -0.670 0.000 1.189 394 c CA -0.600 55.137 56.329 -0.987 0.000 2.155 394 c CB 1.062 42.337 42.510 -2.059 0.000 2.336 394 c HN 0.470 nan 8.230 nan 0.000 0.540 395 T N 2.064 116.272 114.554 -0.578 0.000 2.779 395 T HA 0.484 4.835 4.350 0.001 0.000 0.280 395 T C -0.686 173.800 174.700 -0.356 0.000 0.987 395 T CA 0.145 62.059 62.100 -0.311 0.000 0.966 395 T CB 0.400 69.221 68.868 -0.078 0.000 0.933 395 T HN 0.499 nan 8.240 nan 0.000 0.442 396 F N 3.162 122.989 119.950 -0.204 0.000 2.456 396 F HA 0.278 4.805 4.527 0.001 0.000 0.358 396 F C 1.605 177.227 175.800 -0.297 0.000 1.095 396 F CA -0.699 57.166 58.000 -0.226 0.000 1.216 396 F CB 0.509 39.380 39.000 -0.215 0.000 1.125 396 F HN 0.582 nan 8.300 nan 0.000 0.549 397 I N -0.809 119.623 120.570 -0.230 0.000 4.035 397 I HA 0.215 4.386 4.170 0.001 0.000 0.321 397 I C 0.307 176.225 176.117 -0.332 0.000 1.289 397 I CA 0.130 61.054 61.300 -0.627 0.000 1.236 397 I CB 0.187 37.551 38.000 -1.061 0.000 1.076 397 I HN 0.495 nan 8.210 nan 0.000 0.418 398 T N 0.435 114.873 114.554 -0.194 0.000 2.924 398 T HA 0.708 5.059 4.350 0.001 0.000 0.291 398 T C -0.641 173.710 174.700 -0.581 0.000 1.045 398 T CA -0.689 61.291 62.100 -0.201 0.000 1.015 398 T CB 2.515 71.343 68.868 -0.066 0.000 1.103 398 T HN 0.487 nan 8.240 nan 0.000 0.496 399 K N -0.317 119.560 120.400 -0.872 0.000 2.597 399 K HA 0.739 5.059 4.320 0.001 0.000 0.282 399 K C -0.510 175.441 176.600 -1.082 0.000 0.975 399 K CA -0.937 54.545 56.287 -1.341 0.000 0.867 399 K CB 1.357 33.458 32.500 -0.664 0.000 1.465 399 K HN 1.558 nan 8.250 nan 0.000 0.417 400 G N 0.035 108.210 108.800 -1.041 0.000 2.361 400 G HA2 0.082 4.043 3.960 0.001 0.000 0.331 400 G HA3 0.082 4.043 3.960 0.001 0.000 0.331 400 G C -0.841 173.500 174.900 -0.933 0.000 1.324 400 G CA -0.367 44.311 45.100 -0.705 0.000 0.984 400 G HN 0.998 nan 8.290 nan 0.000 0.586 401 T N -0.420 113.729 114.554 -0.675 0.000 3.855 401 T HA 0.577 4.928 4.350 0.001 0.000 0.306 401 T C 0.182 174.663 174.700 -0.366 0.000 1.575 401 T CA 0.541 62.053 62.100 -0.980 0.000 1.214 401 T CB -0.949 67.603 68.868 -0.527 0.000 1.262 401 T HN 1.568 nan 8.240 nan 0.000 0.883 402 W N -0.321 120.794 121.300 -0.310 0.000 2.881 402 W HA 0.605 5.266 4.660 0.001 0.000 0.380 402 W C -1.619 174.885 176.519 -0.025 0.000 1.170 402 W CA -0.945 56.374 57.345 -0.044 0.000 1.171 402 W CB 0.566 29.998 29.460 -0.047 0.000 1.464 402 W HN 0.206 nan 8.180 nan 0.000 0.574 403 E N 0.747 121.127 120.200 0.301 0.000 2.343 403 E HA 0.453 4.804 4.350 0.001 0.000 0.270 403 E C -1.173 175.542 176.600 0.192 0.000 0.895 403 E CA -1.154 55.224 56.400 -0.038 0.000 0.767 403 E CB 3.408 33.133 29.700 0.041 0.000 1.248 403 E HN 0.171 nan 8.360 nan 0.000 0.440 404 V N 3.714 123.603 119.914 -0.042 0.000 2.488 404 V HA 0.019 4.140 4.120 0.001 0.000 0.277 404 V C 1.191 177.368 176.094 0.139 0.000 1.046 404 V CA -0.010 62.364 62.300 0.123 0.000 0.986 404 V CB 0.602 32.394 31.823 -0.051 0.000 0.989 404 V HN 0.688 nan 8.190 nan 0.000 0.475 405 I N 3.089 123.773 120.570 0.189 0.000 2.494 405 I HA 0.251 4.421 4.170 0.001 0.000 0.250 405 I C 1.120 177.345 176.117 0.180 0.000 1.112 405 I CA 1.172 62.575 61.300 0.172 0.000 1.438 405 I CB -0.654 37.388 38.000 0.070 0.000 1.111 405 I HN 0.743 nan 8.210 nan 0.000 0.431 406 G N 0.827 109.734 108.800 0.177 0.000 2.732 406 G HA2 0.569 4.529 3.960 0.001 0.000 0.296 406 G HA3 0.569 4.529 3.960 0.001 0.000 0.296 406 G C -1.197 173.788 174.900 0.142 0.000 1.448 406 G CA -0.513 44.685 45.100 0.165 0.000 0.911 406 G HN -0.035 nan 8.290 nan 0.000 0.528 407 I N 1.592 122.178 120.570 0.027 0.000 2.371 407 I HA 0.269 4.439 4.170 0.001 0.000 0.290 407 I C 0.651 176.701 176.117 -0.111 0.000 1.028 407 I CA -0.503 60.708 61.300 -0.149 0.000 1.345 407 I CB 1.695 39.342 38.000 -0.589 0.000 1.407 407 I HN 0.500 nan 8.210 nan 0.000 0.501 408 E N 4.675 124.866 120.200 -0.015 0.000 2.290 408 E HA 0.354 4.705 4.350 0.001 0.000 0.199 408 E C 0.109 176.644 176.600 -0.109 0.000 0.912 408 E CA 0.245 56.680 56.400 0.060 0.000 0.924 408 E CB 0.885 30.700 29.700 0.192 0.000 0.901 408 E HN 0.674 nan 8.360 nan 0.000 0.487 409 A N 0.697 123.344 122.820 -0.289 0.000 2.606 409 A HA 0.640 4.961 4.320 0.001 0.000 0.293 409 A C -1.928 175.581 177.584 -0.125 0.000 1.082 409 A CA -0.597 51.203 52.037 -0.396 0.000 0.685 409 A CB 1.440 19.652 19.000 -1.313 0.000 1.284 409 A HN 0.042 nan 8.150 nan 0.000 0.408 410 L N 1.293 122.494 121.223 -0.038 0.000 2.438 410 L HA 0.806 5.147 4.340 0.001 0.000 0.270 410 L C 0.143 177.050 176.870 0.063 0.000 0.972 410 L CA 0.462 55.311 54.840 0.015 0.000 0.831 410 L CB 2.100 44.194 42.059 0.058 0.000 1.273 410 L HN 1.188 nan 8.230 nan 0.000 0.405 411 T N -0.361 114.244 114.554 0.085 0.000 2.883 411 T HA 0.421 4.771 4.350 0.001 0.000 0.284 411 T C 1.036 175.773 174.700 0.061 0.000 1.041 411 T CA 0.080 62.240 62.100 0.100 0.000 1.007 411 T CB 1.218 70.183 68.868 0.161 0.000 1.220 411 T HN 0.662 nan 8.240 nan 0.000 0.552 412 S N -0.347 115.390 115.700 0.061 0.000 2.442 412 S HA -0.089 4.381 4.470 0.001 0.000 0.236 412 S C 0.941 175.516 174.600 -0.042 0.000 1.007 412 S CA 1.097 59.317 58.200 0.033 0.000 0.965 412 S CB -0.536 62.690 63.200 0.043 0.000 0.773 412 S HN 0.717 nan 8.310 nan 0.000 0.504 413 D N -0.578 119.781 120.400 -0.068 0.000 2.379 413 D HA 0.255 4.896 4.640 0.001 0.000 0.218 413 D C -0.462 175.497 176.300 -0.569 0.000 1.006 413 D CA 0.636 54.469 54.000 -0.279 0.000 0.893 413 D CB 0.253 40.919 40.800 -0.223 0.000 1.019 413 D HN 0.450 nan 8.370 nan 0.000 0.503 414 Y N -0.154 120.072 120.300 -0.124 0.000 2.524 414 Y HA 0.454 5.005 4.550 0.001 0.000 0.347 414 Y C -0.566 175.136 175.900 -0.331 0.000 1.005 414 Y CA -0.991 56.937 58.100 -0.287 0.000 1.025 414 Y CB 2.526 40.681 38.460 -0.509 0.000 1.275 414 Y HN -0.275 nan 8.280 nan 0.000 0.460 415 L N 3.063 124.147 121.223 -0.231 0.000 2.322 415 L HA 0.607 4.948 4.340 0.001 0.000 0.281 415 L C -1.795 174.929 176.870 -0.243 0.000 1.014 415 L CA -0.643 54.047 54.840 -0.248 0.000 0.815 415 L CB 0.899 42.721 42.059 -0.395 0.000 1.247 415 L HN 0.617 nan 8.230 nan 0.000 0.421 416 Y N 4.839 125.060 120.300 -0.132 0.000 2.341 416 Y HA 0.521 5.072 4.550 0.001 0.000 0.337 416 Y C -0.532 175.355 175.900 -0.021 0.000 1.014 416 Y CA -0.335 57.674 58.100 -0.151 0.000 1.111 416 Y CB 1.304 39.532 38.460 -0.385 0.000 1.194 416 Y HN 0.525 nan 8.280 nan 0.000 0.462 417 Y N 1.057 121.403 120.300 0.078 0.000 2.597 417 Y HA 0.762 5.313 4.550 0.001 0.000 0.340 417 Y C -1.718 174.260 175.900 0.130 0.000 1.097 417 Y CA -1.808 56.334 58.100 0.070 0.000 1.037 417 Y CB 1.087 39.566 38.460 0.032 0.000 1.305 417 Y HN 0.273 nan 8.280 nan 0.000 0.463 418 I N 3.362 124.080 120.570 0.247 0.000 2.392 418 I HA 0.560 4.731 4.170 0.001 0.000 0.295 418 I C 0.020 176.318 176.117 0.301 0.000 0.985 418 I CA -0.217 61.184 61.300 0.170 0.000 1.221 418 I CB 1.378 39.434 38.000 0.093 0.000 1.366 418 I HN 0.880 nan 8.210 nan 0.000 0.467 419 S N 3.994 119.842 115.700 0.247 0.000 2.651 419 S HA 0.452 4.922 4.470 0.001 0.000 0.279 419 S C -0.250 174.407 174.600 0.094 0.000 1.148 419 S CA -0.812 57.521 58.200 0.222 0.000 0.837 419 S CB 1.931 65.268 63.200 0.228 0.000 1.138 419 S HN 0.595 nan 8.310 nan 0.000 0.478 420 N N -0.246 118.508 118.700 0.091 0.000 2.320 420 N HA 0.140 4.881 4.740 0.001 0.000 0.237 420 N C 0.590 176.082 175.510 -0.030 0.000 1.129 420 N CA -0.284 52.781 53.050 0.024 0.000 0.854 420 N CB 0.186 38.679 38.487 0.010 0.000 1.083 420 N HN 0.810 nan 8.380 nan 0.000 0.504 421 E N -0.182 119.846 120.200 -0.285 0.000 2.077 421 E HA -0.213 4.138 4.350 0.001 0.000 0.193 421 E C -0.383 176.066 176.600 -0.252 0.000 0.989 421 E CA 0.465 56.444 56.400 -0.703 0.000 0.800 421 E CB -0.053 28.648 29.700 -1.664 0.000 0.746 421 E HN 0.443 nan 8.360 nan 0.000 0.452 422 Y N 1.735 121.942 120.300 -0.156 0.000 2.721 422 Y HA -0.094 4.457 4.550 0.001 0.000 0.329 422 Y C 0.441 176.305 175.900 -0.059 0.000 1.211 422 Y CA 0.731 58.790 58.100 -0.068 0.000 1.512 422 Y CB 0.193 38.642 38.460 -0.018 0.000 1.249 422 Y HN 0.041 nan 8.280 nan 0.000 0.549 423 K N 3.476 123.571 120.400 -0.509 0.000 3.104 423 K HA -0.251 4.070 4.320 0.001 0.000 0.285 423 K C 0.836 177.360 176.600 -0.127 0.000 1.136 423 K CA 0.824 56.881 56.287 -0.382 0.000 0.842 423 K CB -1.764 30.462 32.500 -0.457 0.000 1.217 423 K HN 1.260 nan 8.250 nan 0.000 0.467 424 G N 0.738 109.483 108.800 -0.091 0.000 2.321 424 G HA2 -0.331 3.630 3.960 0.001 0.000 0.287 424 G HA3 -0.331 3.630 3.960 0.001 0.000 0.287 424 G C 0.012 174.900 174.900 -0.019 0.000 1.018 424 G CA 0.915 46.010 45.100 -0.008 0.000 0.855 424 G HN 0.351 nan 8.290 nan 0.000 0.507 425 M N 0.293 119.816 119.600 -0.130 0.000 2.069 425 M HA 0.247 4.728 4.480 0.001 0.000 0.349 425 M C -1.220 174.855 176.300 -0.374 0.000 1.194 425 M CA -2.077 52.990 55.300 -0.388 0.000 1.081 425 M CB 1.672 34.097 32.600 -0.291 0.000 1.500 425 M HN -0.115 nan 8.290 nan 0.000 0.438 426 P HA -0.040 nan 4.420 nan 0.000 0.226 426 P C 1.110 178.291 177.300 -0.198 0.000 1.153 426 P CA 0.954 63.907 63.100 -0.245 0.000 0.777 426 P CB 0.140 31.714 31.700 -0.209 0.000 0.794 427 G N -0.865 107.750 108.800 -0.309 0.000 3.284 427 G HA2 0.315 4.275 3.960 0.001 0.000 0.236 427 G HA3 0.315 4.275 3.960 0.001 0.000 0.236 427 G C 0.611 175.532 174.900 0.035 0.000 1.158 427 G CA 0.037 45.081 45.100 -0.094 0.000 0.774 427 G HN 0.394 nan 8.290 nan 0.000 0.545 428 G N -0.134 108.631 108.800 -0.057 0.000 2.441 428 G HA2 0.652 4.612 3.960 0.001 0.000 0.334 428 G HA3 0.652 4.612 3.960 0.001 0.000 0.334 428 G C -0.847 173.954 174.900 -0.166 0.000 1.161 428 G CA -0.757 44.340 45.100 -0.006 0.000 0.935 428 G HN 0.081 nan 8.290 nan 0.000 0.488 429 R N 1.054 121.409 120.500 -0.242 0.000 2.533 429 R HA 0.425 4.765 4.340 0.001 0.000 0.288 429 R C -1.257 175.002 176.300 -0.069 0.000 1.039 429 R CA -0.799 55.125 56.100 -0.292 0.000 0.909 429 R CB 2.081 31.963 30.300 -0.696 0.000 1.195 429 R HN 0.602 nan 8.270 nan 0.000 0.438 430 N N 1.528 120.208 118.700 -0.033 0.000 2.357 430 N HA 0.361 5.102 4.740 0.001 0.000 0.284 430 N C -1.225 174.146 175.510 -0.232 0.000 1.236 430 N CA -0.834 52.112 53.050 -0.173 0.000 0.774 430 N CB 2.739 41.018 38.487 -0.347 0.000 1.534 430 N HN 0.258 nan 8.380 nan 0.000 0.478 431 L N 1.883 122.825 121.223 -0.469 0.000 2.292 431 L HA 0.471 4.812 4.340 0.001 0.000 0.284 431 L C -1.404 175.063 176.870 -0.673 0.000 1.065 431 L CA 0.036 54.626 54.840 -0.416 0.000 0.806 431 L CB 0.019 41.840 42.059 -0.396 0.000 1.175 431 L HN 0.417 nan 8.230 nan 0.000 0.431 432 Y N 3.292 123.240 120.300 -0.586 0.000 2.570 432 Y HA 0.606 5.157 4.550 0.001 0.000 0.345 432 Y C -0.493 175.048 175.900 -0.598 0.000 1.014 432 Y CA -0.854 56.847 58.100 -0.665 0.000 1.063 432 Y CB 1.739 39.592 38.460 -1.012 0.000 1.272 432 Y HN 0.547 nan 8.280 nan 0.000 0.477 433 K N 1.965 122.190 120.400 -0.292 0.000 2.371 433 K HA 0.765 5.085 4.320 0.001 0.000 0.251 433 K C -1.794 174.775 176.600 -0.051 0.000 0.934 433 K CA -0.753 55.312 56.287 -0.370 0.000 0.798 433 K CB 2.846 34.877 32.500 -0.782 0.000 1.204 433 K HN 0.750 nan 8.250 nan 0.000 0.427 434 I N 1.919 122.531 120.570 0.070 0.000 2.433 434 I HA 0.145 4.315 4.170 0.001 0.000 0.292 434 I C -0.715 175.480 176.117 0.129 0.000 1.001 434 I CA -0.788 60.614 61.300 0.170 0.000 1.119 434 I CB 1.953 40.077 38.000 0.206 0.000 1.289 434 I HN 0.831 nan 8.210 nan 0.000 0.438 435 Q N 6.543 126.398 119.800 0.092 0.000 2.281 435 Q HA 0.178 4.519 4.340 0.001 0.000 0.267 435 Q C 0.288 176.213 176.000 -0.125 0.000 1.053 435 Q CA -0.198 55.476 55.803 -0.215 0.000 0.905 435 Q CB 1.049 29.697 28.738 -0.151 0.000 1.195 435 Q HN 0.839 nan 8.270 nan 0.000 0.398 436 L N 2.574 123.669 121.223 -0.213 0.000 2.191 436 L HA -0.177 4.164 4.340 0.001 0.000 0.212 436 L C 2.211 178.963 176.870 -0.196 0.000 1.103 436 L CA 1.296 56.094 54.840 -0.071 0.000 0.769 436 L CB -0.381 41.606 42.059 -0.121 0.000 0.908 436 L HN 0.664 nan 8.230 nan 0.000 0.438 437 S N -2.491 113.063 115.700 -0.243 0.000 2.527 437 S HA -0.039 4.432 4.470 0.001 0.000 0.222 437 S C 0.520 174.941 174.600 -0.298 0.000 0.985 437 S CA 0.104 58.152 58.200 -0.253 0.000 0.921 437 S CB 0.070 63.160 63.200 -0.184 0.000 0.772 437 S HN 0.363 nan 8.310 nan 0.000 0.529 438 D N -0.205 120.028 120.400 -0.278 0.000 2.351 438 D HA 0.226 4.867 4.640 0.001 0.000 0.235 438 D C -0.505 175.752 176.300 -0.072 0.000 1.331 438 D CA -0.569 53.304 54.000 -0.212 0.000 0.959 438 D CB 0.150 40.882 40.800 -0.113 0.000 1.432 438 D HN -0.026 nan 8.370 nan 0.000 0.544 439 Y N 0.843 121.125 120.300 -0.030 0.000 2.483 439 Y HA -0.101 4.450 4.550 0.001 0.000 0.291 439 Y C 2.598 178.505 175.900 0.011 0.000 1.143 439 Y CA 1.449 59.542 58.100 -0.011 0.000 1.289 439 Y CB -0.899 37.556 38.460 -0.008 0.000 0.983 439 Y HN 0.433 nan 8.280 nan 0.000 0.556 440 T N -2.266 112.367 114.554 0.131 0.000 3.072 440 T HA -0.064 4.287 4.350 0.001 0.000 0.266 440 T C 0.686 175.436 174.700 0.083 0.000 1.127 440 T CA 0.373 62.526 62.100 0.090 0.000 1.107 440 T CB -0.248 68.649 68.868 0.047 0.000 0.910 440 T HN 0.138 nan 8.240 nan 0.000 0.513 441 K N 2.073 122.524 120.400 0.086 0.000 2.231 441 K HA 0.490 4.810 4.320 0.001 0.000 0.255 441 K C -1.263 175.409 176.600 0.121 0.000 1.108 441 K CA -0.357 55.981 56.287 0.085 0.000 0.997 441 K CB 1.347 33.886 32.500 0.064 0.000 1.549 441 K HN 0.139 nan 8.250 nan 0.000 0.419 442 V N 2.281 122.266 119.914 0.118 0.000 2.417 442 V HA 0.262 4.383 4.120 0.001 0.000 0.291 442 V C -0.055 176.102 176.094 0.105 0.000 1.024 442 V CA -0.615 61.769 62.300 0.139 0.000 0.861 442 V CB 1.851 33.773 31.823 0.166 0.000 0.985 442 V HN 0.563 nan 8.190 nan 0.000 0.436 443 T N 3.443 118.033 114.554 0.059 0.000 2.792 443 T HA 0.246 4.596 4.350 0.001 0.000 0.280 443 T C -0.337 174.285 174.700 -0.129 0.000 0.990 443 T CA -0.284 61.797 62.100 -0.031 0.000 0.960 443 T CB 1.228 70.041 68.868 -0.091 0.000 0.939 443 T HN 0.765 nan 8.240 nan 0.000 0.439 444 C N 4.908 124.066 119.300 -0.236 0.000 2.576 444 C HA 0.403 4.863 4.460 0.001 0.000 0.401 444 C C 1.598 176.257 174.990 -0.552 0.000 1.314 444 C CA -0.457 58.140 59.018 -0.702 0.000 1.855 444 C CB -1.669 25.588 27.740 -0.805 0.000 2.537 444 C HN 0.988 nan 8.230 nan 0.000 0.578 445 L N 4.549 125.398 121.223 -0.622 0.000 2.513 445 L HA 0.110 4.451 4.340 0.001 0.000 0.222 445 L C 2.095 178.654 176.870 -0.519 0.000 1.096 445 L CA 0.727 55.299 54.840 -0.448 0.000 0.857 445 L CB -0.126 41.707 42.059 -0.376 0.000 1.026 445 L HN 0.878 nan 8.230 nan 0.000 0.469 446 S N -3.167 112.106 115.700 -0.712 0.000 2.589 446 S HA -0.007 4.463 4.470 0.001 0.000 0.235 446 S C 1.772 175.969 174.600 -0.672 0.000 1.051 446 S CA -0.165 57.522 58.200 -0.856 0.000 0.978 446 S CB -0.294 61.998 63.200 -1.514 0.000 0.929 446 S HN 0.275 nan 8.310 nan 0.000 0.523 447 C N 2.552 121.431 119.300 -0.702 0.000 2.401 447 C HA 0.015 4.475 4.460 0.001 0.000 0.276 447 C C 2.306 176.994 174.990 -0.503 0.000 1.233 447 C CA 1.004 59.528 59.018 -0.823 0.000 1.753 447 C CB -0.827 26.140 27.740 -1.288 0.000 2.029 447 C HN 0.590 nan 8.230 nan 0.000 0.478 448 E N 0.194 120.187 120.200 -0.346 0.000 2.481 448 E HA 0.182 4.533 4.350 0.001 0.000 0.198 448 E C 1.857 178.400 176.600 -0.095 0.000 1.027 448 E CA -0.019 56.282 56.400 -0.166 0.000 0.900 448 E CB -0.203 29.421 29.700 -0.127 0.000 0.993 448 E HN 0.639 nan 8.360 nan 0.000 0.482 449 L N 0.555 121.716 121.223 -0.103 0.000 2.017 449 L HA -0.089 4.252 4.340 0.001 0.000 0.208 449 L C 1.146 178.023 176.870 0.011 0.000 1.073 449 L CA 1.029 55.851 54.840 -0.030 0.000 0.745 449 L CB -0.075 41.983 42.059 -0.001 0.000 0.894 449 L HN 0.028 nan 8.230 nan 0.000 0.432 450 N N -1.595 117.128 118.700 0.039 0.000 2.824 450 N HA 0.141 4.881 4.740 0.001 0.000 0.224 450 N C -2.254 173.281 175.510 0.040 0.000 1.418 450 N CA -1.042 52.026 53.050 0.031 0.000 0.743 450 N CB 1.041 39.541 38.487 0.021 0.000 1.395 450 N HN -0.223 nan 8.380 nan 0.000 0.548 451 P HA -0.134 nan 4.420 nan 0.000 0.218 451 P C 0.885 178.226 177.300 0.068 0.000 1.148 451 P CA 1.377 64.525 63.100 0.080 0.000 0.822 451 P CB 0.477 32.236 31.700 0.100 0.000 0.784 452 E N -0.213 120.010 120.200 0.038 0.000 2.107 452 E HA -0.149 4.201 4.350 0.001 0.000 0.191 452 E C 2.139 178.740 176.600 0.003 0.000 0.982 452 E CA 0.968 57.382 56.400 0.022 0.000 0.809 452 E CB -0.883 28.823 29.700 0.011 0.000 0.756 452 E HN 0.124 nan 8.360 nan 0.000 0.459 453 R N -0.448 120.043 120.500 -0.015 0.000 2.140 453 R HA 0.214 4.555 4.340 0.001 0.000 0.213 453 R C -0.314 175.939 176.300 -0.077 0.000 1.059 453 R CA 0.740 56.809 56.100 -0.053 0.000 1.000 453 R CB 0.319 30.577 30.300 -0.070 0.000 0.910 453 R HN 0.225 nan 8.270 nan 0.000 0.455 454 c N 0.994 119.559 118.600 -0.058 0.000 2.356 454 c HA 0.401 4.972 4.570 0.001 0.000 0.324 454 c C -0.066 174.009 174.090 -0.026 0.000 1.167 454 c CA -0.689 55.550 56.329 -0.150 0.000 1.420 454 c CB 1.293 43.677 42.510 -0.209 0.000 2.036 454 c HN 0.523 nan 8.230 nan 0.000 0.435 455 Q N 0.427 120.210 119.800 -0.028 0.000 2.140 455 Q HA 0.212 4.553 4.340 0.001 0.000 0.227 455 Q C -0.895 175.177 176.000 0.120 0.000 0.798 455 Q CA 0.124 55.985 55.803 0.096 0.000 0.987 455 Q CB 1.337 30.143 28.738 0.114 0.000 1.161 455 Q HN 0.789 nan 8.270 nan 0.000 0.480 456 Y N 0.373 120.576 120.300 -0.162 0.000 2.344 456 Y HA 0.365 4.916 4.550 0.001 0.000 0.328 456 Y C -1.663 174.094 175.900 -0.238 0.000 1.067 456 Y CA -1.027 57.002 58.100 -0.118 0.000 1.247 456 Y CB 0.825 39.223 38.460 -0.104 0.000 1.113 456 Y HN -0.075 nan 8.280 nan 0.000 0.465 457 Y N 2.514 122.760 120.300 -0.091 0.000 2.468 457 Y HA 0.634 5.184 4.550 0.001 0.000 0.342 457 Y C 0.313 176.171 175.900 -0.071 0.000 1.021 457 Y CA -0.577 57.481 58.100 -0.070 0.000 1.079 457 Y CB 2.216 40.601 38.460 -0.126 0.000 1.226 457 Y HN 0.540 nan 8.280 nan 0.000 0.460 458 S N 0.979 116.774 115.700 0.159 0.000 2.715 458 S HA 0.878 5.348 4.470 0.001 0.000 0.307 458 S C -1.431 173.254 174.600 0.141 0.000 1.119 458 S CA -0.770 57.510 58.200 0.134 0.000 0.937 458 S CB 1.929 65.216 63.200 0.145 0.000 1.150 458 S HN 0.570 nan 8.310 nan 0.000 0.521 459 V N 0.195 120.193 119.914 0.139 0.000 2.971 459 V HA 0.817 4.938 4.120 0.001 0.000 0.309 459 V C -1.223 174.977 176.094 0.177 0.000 1.130 459 V CA -0.312 62.053 62.300 0.109 0.000 0.964 459 V CB 2.323 34.152 31.823 0.010 0.000 1.029 459 V HN 1.132 nan 8.190 nan 0.000 0.427 460 S N 4.993 120.796 115.700 0.171 0.000 2.756 460 S HA 0.683 5.153 4.470 0.001 0.000 0.303 460 S C -1.176 173.598 174.600 0.291 0.000 1.135 460 S CA -0.366 58.025 58.200 0.319 0.000 1.066 460 S CB 0.462 63.895 63.200 0.389 0.000 1.008 460 S HN 0.490 nan 8.310 nan 0.000 0.482 461 F N 3.150 123.170 119.950 0.117 0.000 2.379 461 F HA 0.435 4.963 4.527 0.001 0.000 0.332 461 F C 1.398 176.786 175.800 -0.686 0.000 1.096 461 F CA -0.186 57.709 58.000 -0.175 0.000 1.105 461 F CB 1.452 40.340 39.000 -0.186 0.000 1.189 461 F HN 0.643 nan 8.300 nan 0.000 0.515 462 S N 2.297 117.366 115.700 -1.052 0.000 2.617 462 S HA 0.164 4.635 4.470 0.001 0.000 0.259 462 S C 1.254 175.653 174.600 -0.336 0.000 1.301 462 S CA -0.754 56.668 58.200 -1.296 0.000 0.984 462 S CB 0.755 63.199 63.200 -1.259 0.000 0.954 462 S HN 0.570 nan 8.310 nan 0.000 0.572 463 K N 0.908 121.242 120.400 -0.111 0.000 2.074 463 K HA -0.098 4.223 4.320 0.001 0.000 0.209 463 K C 0.802 177.421 176.600 0.033 0.000 1.048 463 K CA 1.545 57.852 56.287 0.034 0.000 0.926 463 K CB -0.357 32.203 32.500 0.100 0.000 0.713 463 K HN 0.718 nan 8.250 nan 0.000 0.444 464 E N -0.914 119.297 120.200 0.017 0.000 2.685 464 E HA 0.259 4.610 4.350 0.001 0.000 0.208 464 E C 0.067 176.664 176.600 -0.005 0.000 0.996 464 E CA 0.068 56.483 56.400 0.025 0.000 1.054 464 E CB 0.757 30.487 29.700 0.049 0.000 1.075 464 E HN 0.205 nan 8.360 nan 0.000 0.460 465 A N 1.327 124.130 122.820 -0.028 0.000 2.887 465 A HA -0.332 3.989 4.320 0.001 0.000 0.257 465 A C 1.526 179.106 177.584 -0.006 0.000 1.372 465 A CA 1.707 53.751 52.037 0.011 0.000 0.879 465 A CB -2.103 16.790 19.000 -0.177 0.000 1.082 465 A HN 0.288 nan 8.150 nan 0.000 0.703 466 K N -1.795 118.546 120.400 -0.098 0.000 2.148 466 K HA 0.028 4.349 4.320 0.001 0.000 0.204 466 K C 0.120 176.378 176.600 -0.569 0.000 1.050 466 K CA 1.620 57.727 56.287 -0.300 0.000 0.942 466 K CB -0.057 32.263 32.500 -0.301 0.000 0.724 466 K HN 0.684 nan 8.250 nan 0.000 0.446 467 Y N -0.987 119.237 120.300 -0.126 0.000 2.576 467 Y HA 0.317 4.867 4.550 0.001 0.000 0.346 467 Y C -0.985 174.785 175.900 -0.217 0.000 1.018 467 Y CA -1.366 56.634 58.100 -0.167 0.000 1.050 467 Y CB 1.688 40.074 38.460 -0.124 0.000 1.280 467 Y HN -0.049 nan 8.280 nan 0.000 0.474 468 Y N -0.974 119.256 120.300 -0.116 0.000 2.504 468 Y HA 0.533 5.084 4.550 0.001 0.000 0.344 468 Y C -1.051 174.863 175.900 0.023 0.000 1.023 468 Y CA -1.533 56.348 58.100 -0.365 0.000 1.020 468 Y CB 1.436 39.143 38.460 -1.254 0.000 1.282 468 Y HN 0.586 nan 8.280 nan 0.000 0.454 469 Q N 3.965 123.902 119.800 0.229 0.000 2.303 469 Q HA 0.497 4.837 4.340 0.001 0.000 0.257 469 Q C -1.569 174.534 176.000 0.171 0.000 0.941 469 Q CA -0.588 55.321 55.803 0.177 0.000 0.931 469 Q CB 1.062 29.876 28.738 0.127 0.000 1.215 469 Q HN 0.956 nan 8.270 nan 0.000 0.437 470 L N 4.166 125.512 121.223 0.205 0.000 2.307 470 L HA 0.505 4.846 4.340 0.001 0.000 0.282 470 L C 0.088 177.041 176.870 0.139 0.000 1.051 470 L CA -0.418 54.534 54.840 0.185 0.000 0.804 470 L CB 1.301 43.463 42.059 0.172 0.000 1.197 470 L HN 0.549 nan 8.230 nan 0.000 0.431 471 R N 3.316 123.869 120.500 0.089 0.000 2.358 471 R HA 0.311 4.652 4.340 0.001 0.000 0.309 471 R C -1.020 175.134 176.300 -0.245 0.000 1.026 471 R CA -0.508 55.471 56.100 -0.201 0.000 0.909 471 R CB 1.233 31.484 30.300 -0.082 0.000 1.153 471 R HN 0.752 nan 8.270 nan 0.000 0.515 472 c N 4.007 122.329 118.600 -0.463 0.000 2.415 472 c HA 0.403 4.974 4.570 0.001 0.000 0.369 472 c C 1.362 175.200 174.090 -0.420 0.000 1.279 472 c CA -0.165 55.764 56.329 -0.666 0.000 1.886 472 c CB 0.452 42.510 42.510 -0.753 0.000 2.468 472 c HN 0.933 nan 8.230 nan 0.000 0.553 473 S N 3.753 119.301 115.700 -0.254 0.000 2.629 473 S HA 0.604 5.074 4.470 0.001 0.000 0.236 473 S C 0.443 174.984 174.600 -0.098 0.000 1.010 473 S CA 0.245 58.360 58.200 -0.142 0.000 0.981 473 S CB 0.056 63.214 63.200 -0.071 0.000 0.919 473 S HN 1.921 nan 8.310 nan 0.000 0.514 474 G N 1.708 110.436 108.800 -0.120 0.000 2.321 474 G HA2 0.388 4.348 3.960 0.001 0.000 0.298 474 G HA3 0.388 4.348 3.960 0.001 0.000 0.298 474 G C -3.011 171.859 174.900 -0.050 0.000 1.385 474 G CA -0.460 44.610 45.100 -0.050 0.000 0.856 474 G HN -0.126 nan 8.290 nan 0.000 0.584 475 P HA 0.126 nan 4.420 nan 0.000 0.229 475 P C 1.340 178.667 177.300 0.045 0.000 1.160 475 P CA 1.310 64.433 63.100 0.038 0.000 0.777 475 P CB 0.319 32.038 31.700 0.032 0.000 0.814 476 G N 0.536 109.296 108.800 -0.067 0.000 2.553 476 G HA2 0.343 4.304 3.960 0.001 0.000 0.278 476 G HA3 0.343 4.304 3.960 0.001 0.000 0.278 476 G C -0.196 174.469 174.900 -0.391 0.000 1.349 476 G CA -0.693 44.294 45.100 -0.188 0.000 1.037 476 G HN 0.051 nan 8.290 nan 0.000 0.508 477 L N 1.270 122.182 121.223 -0.520 0.000 2.456 477 L HA 0.158 4.498 4.340 0.001 0.000 0.272 477 L C -1.803 174.887 176.870 -0.299 0.000 1.189 477 L CA -1.317 53.177 54.840 -0.577 0.000 0.846 477 L CB 0.658 42.454 42.059 -0.438 0.000 1.111 477 L HN 0.249 nan 8.230 nan 0.000 0.475 478 P HA 0.020 nan 4.420 nan 0.000 0.265 478 P C -0.910 176.285 177.300 -0.175 0.000 1.187 478 P CA 0.001 62.990 63.100 -0.186 0.000 0.766 478 P CB 0.539 32.207 31.700 -0.053 0.000 0.820 479 L N 4.798 125.825 121.223 -0.326 0.000 2.439 479 L HA 0.472 4.813 4.340 0.001 0.000 0.270 479 L C -1.828 174.850 176.870 -0.320 0.000 0.972 479 L CA -0.747 53.971 54.840 -0.202 0.000 0.836 479 L CB 0.973 42.943 42.059 -0.148 0.000 1.255 479 L HN 0.218 nan 8.230 nan 0.000 0.404 480 Y N 2.835 123.087 120.300 -0.080 0.000 2.335 480 Y HA 0.752 5.302 4.550 0.001 0.000 0.338 480 Y C 0.454 176.247 175.900 -0.178 0.000 0.977 480 Y CA -0.453 57.583 58.100 -0.108 0.000 1.114 480 Y CB 2.139 40.510 38.460 -0.150 0.000 1.182 480 Y HN 0.676 nan 8.280 nan 0.000 0.463 481 T N 0.925 115.480 114.554 0.001 0.000 2.903 481 T HA 0.711 5.062 4.350 0.001 0.000 0.299 481 T C -1.552 173.046 174.700 -0.170 0.000 1.093 481 T CA -0.870 61.159 62.100 -0.119 0.000 1.002 481 T CB 1.975 70.817 68.868 -0.042 0.000 1.127 481 T HN 0.389 nan 8.240 nan 0.000 0.488 482 L N 1.886 122.877 121.223 -0.386 0.000 2.346 482 L HA 0.643 4.983 4.340 0.001 0.000 0.274 482 L C -0.805 175.686 176.870 -0.631 0.000 1.007 482 L CA -0.329 54.320 54.840 -0.318 0.000 0.818 482 L CB 1.296 43.228 42.059 -0.211 0.000 1.284 482 L HN 0.833 nan 8.230 nan 0.000 0.424 483 H N 1.396 120.246 119.070 -0.367 0.000 2.895 483 H HA 0.548 5.105 4.556 0.001 0.000 0.373 483 H C -0.980 174.094 175.328 -0.424 0.000 1.174 483 H CA -0.828 54.879 56.048 -0.568 0.000 1.144 483 H CB 2.094 31.107 29.762 -1.248 0.000 1.793 483 H HN 0.585 nan 8.280 nan 0.000 0.551 484 S N 0.436 116.041 115.700 -0.158 0.000 2.475 484 S HA 0.225 4.696 4.470 0.001 0.000 0.298 484 S C 0.716 175.253 174.600 -0.106 0.000 1.119 484 S CA -0.723 57.377 58.200 -0.167 0.000 1.085 484 S CB 1.893 65.012 63.200 -0.134 0.000 1.028 484 S HN 0.563 nan 8.310 nan 0.000 0.489 485 S N 1.871 117.535 115.700 -0.059 0.000 2.402 485 S HA -0.106 4.365 4.470 0.001 0.000 0.229 485 S C 1.892 176.526 174.600 0.057 0.000 1.021 485 S CA 0.937 59.220 58.200 0.139 0.000 0.974 485 S CB -0.450 62.823 63.200 0.123 0.000 0.800 485 S HN 0.679 nan 8.310 nan 0.000 0.484 486 V N 2.609 122.507 119.914 -0.026 0.000 2.287 486 V HA -0.136 3.985 4.120 0.001 0.000 0.248 486 V C 0.886 176.982 176.094 0.004 0.000 1.053 486 V CA 1.796 64.093 62.300 -0.006 0.000 1.027 486 V CB -0.286 31.520 31.823 -0.029 0.000 0.646 486 V HN 0.450 nan 8.190 nan 0.000 0.447 487 N N -0.497 118.200 118.700 -0.005 0.000 2.238 487 N HA 0.136 4.877 4.740 0.001 0.000 0.235 487 N C -0.298 175.214 175.510 0.004 0.000 1.209 487 N CA 0.390 53.438 53.050 -0.002 0.000 0.879 487 N CB 0.313 38.798 38.487 -0.003 0.000 1.136 487 N HN 0.497 nan 8.380 nan 0.000 0.517 488 D N 1.031 121.449 120.400 0.031 0.000 2.686 488 D HA -0.188 4.453 4.640 0.001 0.000 0.235 488 D C -0.206 176.115 176.300 0.035 0.000 1.160 488 D CA 1.035 55.077 54.000 0.070 0.000 0.645 488 D CB -0.819 40.025 40.800 0.072 0.000 1.039 488 D HN 0.368 nan 8.370 nan 0.000 0.423 489 K N 0.178 120.577 120.400 -0.001 0.000 2.326 489 K HA 0.300 4.620 4.320 0.001 0.000 0.275 489 K C 1.109 177.688 176.600 -0.036 0.000 1.018 489 K CA 0.152 56.428 56.287 -0.017 0.000 0.962 489 K CB 0.839 33.321 32.500 -0.031 0.000 0.953 489 K HN 0.154 nan 8.250 nan 0.000 0.475 490 G N 3.349 112.116 108.800 -0.054 0.000 2.546 490 G HA2 0.195 4.156 3.960 0.001 0.000 0.320 490 G HA3 0.195 4.156 3.960 0.001 0.000 0.320 490 G C 0.819 175.573 174.900 -0.243 0.000 0.984 490 G CA -0.409 44.562 45.100 -0.214 0.000 1.183 490 G HN 0.552 nan 8.290 nan 0.000 0.443 491 L N 1.485 122.530 121.223 -0.297 0.000 1.988 491 L HA 0.173 4.514 4.340 0.001 0.000 0.207 491 L C 1.764 178.531 176.870 -0.172 0.000 1.071 491 L CA 1.159 55.892 54.840 -0.177 0.000 0.744 491 L CB -0.199 41.779 42.059 -0.134 0.000 0.893 491 L HN 0.677 nan 8.230 nan 0.000 0.433 492 R N -1.793 118.564 120.500 -0.239 0.000 2.712 492 R HA 0.442 4.782 4.340 0.001 0.000 0.272 492 R C -1.657 174.503 176.300 -0.234 0.000 1.032 492 R CA -0.871 55.114 56.100 -0.191 0.000 0.874 492 R CB 1.474 31.692 30.300 -0.137 0.000 1.256 492 R HN -0.253 nan 8.270 nan 0.000 0.468 493 V N 3.334 123.139 119.914 -0.182 0.000 2.432 493 V HA 0.164 4.284 4.120 0.001 0.000 0.271 493 V C 1.304 177.249 176.094 -0.247 0.000 1.046 493 V CA -0.332 61.860 62.300 -0.180 0.000 0.945 493 V CB 1.093 32.849 31.823 -0.113 0.000 0.992 493 V HN 0.663 nan 8.190 nan 0.000 0.471 494 L N 2.628 123.633 121.223 -0.363 0.000 2.168 494 L HA 0.289 4.630 4.340 0.001 0.000 0.203 494 L C 0.725 177.307 176.870 -0.481 0.000 1.078 494 L CA 0.711 55.133 54.840 -0.697 0.000 0.780 494 L CB 0.212 41.492 42.059 -1.297 0.000 0.939 494 L HN 0.676 nan 8.230 nan 0.000 0.451 495 E N -0.046 120.028 120.200 -0.209 0.000 2.343 495 E HA 0.088 4.438 4.350 0.001 0.000 0.288 495 E C -1.187 175.459 176.600 0.078 0.000 0.907 495 E CA -0.378 56.012 56.400 -0.017 0.000 0.792 495 E CB 1.035 30.750 29.700 0.024 0.000 1.275 495 E HN 0.168 nan 8.360 nan 0.000 0.402 496 D N 3.068 123.487 120.400 0.032 0.000 2.395 496 D HA 0.132 4.773 4.640 0.001 0.000 0.213 496 D C -0.236 176.069 176.300 0.009 0.000 1.110 496 D CA -0.250 53.757 54.000 0.013 0.000 0.835 496 D CB -0.054 40.734 40.800 -0.020 0.000 0.965 496 D HN 0.450 nan 8.370 nan 0.000 0.505 497 N N 0.424 119.148 118.700 0.040 0.000 2.708 497 N HA -0.231 4.510 4.740 0.001 0.000 0.249 497 N C 0.922 176.433 175.510 0.003 0.000 1.097 497 N CA 0.953 54.019 53.050 0.027 0.000 0.710 497 N CB -1.233 37.259 38.487 0.008 0.000 1.032 497 N HN 0.510 nan 8.380 nan 0.000 0.551 498 S N -1.281 114.422 115.700 0.005 0.000 2.419 498 S HA -0.022 4.449 4.470 0.001 0.000 0.233 498 S C 2.077 176.687 174.600 0.018 0.000 1.016 498 S CA 0.890 59.091 58.200 0.001 0.000 0.974 498 S CB -0.047 63.153 63.200 0.000 0.000 0.786 498 S HN 0.508 nan 8.310 nan 0.000 0.492 499 A N 2.200 125.040 122.820 0.034 0.000 1.858 499 A HA 0.061 4.381 4.320 0.001 0.000 0.216 499 A C 2.222 179.845 177.584 0.066 0.000 1.190 499 A CA 1.596 53.663 52.037 0.050 0.000 0.617 499 A CB -1.011 18.024 19.000 0.057 0.000 0.827 499 A HN 0.509 nan 8.150 nan 0.000 0.443 500 L N 0.495 121.760 121.223 0.071 0.000 2.042 500 L HA -0.184 4.156 4.340 0.001 0.000 0.210 500 L C 1.952 178.854 176.870 0.052 0.000 1.076 500 L CA 2.822 57.720 54.840 0.097 0.000 0.749 500 L CB -0.827 41.287 42.059 0.092 0.000 0.893 500 L HN 0.568 nan 8.230 nan 0.000 0.432 501 D N -0.781 119.619 120.400 0.001 0.000 2.116 501 D HA -0.291 4.350 4.640 0.001 0.000 0.193 501 D C 2.273 178.576 176.300 0.004 0.000 0.998 501 D CA 1.714 55.698 54.000 -0.026 0.000 0.836 501 D CB -0.123 40.651 40.800 -0.044 0.000 0.951 501 D HN 0.330 nan 8.370 nan 0.000 0.449 502 K N -0.595 119.820 120.400 0.025 0.000 2.026 502 K HA -0.161 4.159 4.320 0.001 0.000 0.208 502 K C 2.099 178.736 176.600 0.061 0.000 1.048 502 K CA 1.156 57.465 56.287 0.037 0.000 0.929 502 K CB -0.041 32.483 32.500 0.041 0.000 0.713 502 K HN 0.190 nan 8.250 nan 0.000 0.439 503 M N 0.857 120.516 119.600 0.099 0.000 2.117 503 M HA -0.152 4.329 4.480 0.001 0.000 0.262 503 M C 2.209 178.571 176.300 0.102 0.000 1.065 503 M CA 1.422 56.823 55.300 0.168 0.000 1.114 503 M CB -0.793 31.990 32.600 0.305 0.000 1.361 503 M HN 0.196 nan 8.290 nan 0.000 0.408 504 L N -0.431 120.799 121.223 0.012 0.000 2.362 504 L HA -0.182 4.158 4.340 0.001 0.000 0.219 504 L C 2.377 179.222 176.870 -0.042 0.000 1.134 504 L CA 0.648 55.432 54.840 -0.094 0.000 0.807 504 L CB -0.587 41.419 42.059 -0.088 0.000 0.927 504 L HN 0.419 nan 8.230 nan 0.000 0.447 505 Q N 0.320 120.118 119.800 -0.003 0.000 2.234 505 Q HA -0.189 4.152 4.340 0.001 0.000 0.206 505 Q C 0.999 177.013 176.000 0.024 0.000 0.980 505 Q CA 1.447 57.255 55.803 0.008 0.000 0.869 505 Q CB -0.146 28.602 28.738 0.017 0.000 0.912 505 Q HN 0.619 nan 8.270 nan 0.000 0.436 506 N N -0.673 118.051 118.700 0.040 0.000 2.276 506 N HA 0.091 4.832 4.740 0.001 0.000 0.212 506 N C -1.190 174.360 175.510 0.065 0.000 1.127 506 N CA -0.204 52.883 53.050 0.062 0.000 0.834 506 N CB 0.998 39.538 38.487 0.087 0.000 1.014 506 N HN -0.123 nan 8.380 nan 0.000 0.491 507 V N 0.839 120.769 119.914 0.027 0.000 2.656 507 V HA 0.214 4.334 4.120 0.001 0.000 0.307 507 V C -0.332 175.772 176.094 0.016 0.000 1.051 507 V CA -0.975 61.339 62.300 0.023 0.000 0.893 507 V CB 2.172 33.949 31.823 -0.077 0.000 0.999 507 V HN 0.101 nan 8.190 nan 0.000 0.426 508 Q N 4.248 124.076 119.800 0.048 0.000 2.452 508 Q HA 0.350 4.691 4.340 0.001 0.000 0.230 508 Q C -0.490 175.498 176.000 -0.019 0.000 1.180 508 Q CA -0.142 55.670 55.803 0.016 0.000 0.914 508 Q CB 0.445 29.231 28.738 0.080 0.000 1.408 508 Q HN 0.513 nan 8.270 nan 0.000 0.520 509 M N 3.629 123.192 119.600 -0.062 0.000 2.274 509 M HA 0.391 4.871 4.480 0.001 0.000 0.344 509 M C -2.011 174.220 176.300 -0.115 0.000 1.161 509 M CA -2.538 52.713 55.300 -0.082 0.000 1.126 509 M CB 0.252 32.807 32.600 -0.076 0.000 1.522 509 M HN 0.307 nan 8.290 nan 0.000 0.461 510 P HA 0.236 nan 4.420 nan 0.000 0.274 510 P C -0.744 176.465 177.300 -0.151 0.000 1.256 510 P CA -0.328 62.679 63.100 -0.155 0.000 0.795 510 P CB 0.499 32.093 31.700 -0.177 0.000 1.038 511 S N -0.705 114.892 115.700 -0.171 0.000 2.704 511 S HA 0.633 5.104 4.470 0.001 0.000 0.305 511 S C -0.518 173.975 174.600 -0.178 0.000 1.107 511 S CA -0.783 57.326 58.200 -0.151 0.000 0.993 511 S CB 1.633 64.743 63.200 -0.151 0.000 1.110 511 S HN 0.495 nan 8.310 nan 0.000 0.534 512 K N 0.498 120.815 120.400 -0.137 0.000 2.376 512 K HA 0.400 4.721 4.320 0.001 0.000 0.257 512 K C -1.202 175.327 176.600 -0.119 0.000 0.939 512 K CA -0.523 55.686 56.287 -0.130 0.000 0.809 512 K CB 1.348 33.793 32.500 -0.091 0.000 1.121 512 K HN 0.692 nan 8.250 nan 0.000 0.425 513 K N 5.013 125.327 120.400 -0.144 0.000 2.213 513 K HA 0.304 4.625 4.320 0.001 0.000 0.270 513 K C -1.438 175.104 176.600 -0.096 0.000 1.002 513 K CA -0.800 55.413 56.287 -0.124 0.000 0.868 513 K CB 0.880 33.282 32.500 -0.163 0.000 1.093 513 K HN 0.470 nan 8.250 nan 0.000 0.454 514 L N 4.151 125.340 121.223 -0.058 0.000 2.333 514 L HA 0.516 4.857 4.340 0.001 0.000 0.280 514 L C -1.070 175.791 176.870 -0.016 0.000 1.004 514 L CA 0.163 55.001 54.840 -0.004 0.000 0.820 514 L CB 1.435 43.563 42.059 0.115 0.000 1.247 514 L HN 0.827 nan 8.230 nan 0.000 0.416 515 D N 2.578 122.821 120.400 -0.261 0.000 2.838 515 D HA 0.503 5.144 4.640 0.001 0.000 0.334 515 D C -1.641 174.299 176.300 -0.599 0.000 1.315 515 D CA -0.049 53.673 54.000 -0.464 0.000 0.917 515 D CB 1.517 41.984 40.800 -0.555 0.000 1.435 515 D HN 0.223 nan 8.370 nan 0.000 0.517 516 F N -0.149 119.486 119.950 -0.524 0.000 2.613 516 F HA 0.726 5.254 4.527 0.001 0.000 0.314 516 F C -0.644 175.244 175.800 0.146 0.000 1.075 516 F CA -1.093 56.700 58.000 -0.344 0.000 0.945 516 F CB 1.016 39.384 39.000 -1.052 0.000 1.310 516 F HN 0.289 nan 8.300 nan 0.000 0.467 517 I N 0.173 121.073 120.570 0.551 0.000 2.797 517 I HA 0.687 4.858 4.170 0.001 0.000 0.307 517 I C -1.256 175.121 176.117 0.432 0.000 1.033 517 I CA -1.254 60.295 61.300 0.415 0.000 1.071 517 I CB 2.386 40.560 38.000 0.290 0.000 1.255 517 I HN 0.645 nan 8.210 nan 0.000 0.445 518 I N 4.329 125.083 120.570 0.308 0.000 2.336 518 I HA 0.403 4.573 4.170 0.001 0.000 0.292 518 I C -0.719 175.547 176.117 0.248 0.000 0.991 518 I CA -0.522 60.932 61.300 0.257 0.000 1.227 518 I CB 1.617 39.722 38.000 0.175 0.000 1.366 518 I HN 0.360 nan 8.210 nan 0.000 0.466 519 L N 6.568 128.000 121.223 0.348 0.000 2.372 519 L HA 0.418 4.759 4.340 0.001 0.000 0.274 519 L C -0.077 176.937 176.870 0.240 0.000 0.988 519 L CA -0.672 54.330 54.840 0.271 0.000 0.833 519 L CB 1.257 43.480 42.059 0.273 0.000 1.236 519 L HN 0.632 nan 8.230 nan 0.000 0.410 520 N N 2.586 121.361 118.700 0.125 0.000 2.727 520 N HA -0.208 4.532 4.740 0.001 0.000 0.251 520 N C 0.384 175.937 175.510 0.071 0.000 1.040 520 N CA 1.191 54.291 53.050 0.083 0.000 0.712 520 N CB -0.516 38.015 38.487 0.073 0.000 0.912 520 N HN 0.830 nan 8.380 nan 0.000 0.545 521 E N -3.272 116.965 120.200 0.060 0.000 3.547 521 E HA -0.217 4.134 4.350 0.001 0.000 0.300 521 E C -0.517 176.081 176.600 -0.004 0.000 0.857 521 E CA 1.850 58.267 56.400 0.028 0.000 1.039 521 E CB -1.274 28.433 29.700 0.012 0.000 1.524 521 E HN 0.595 nan 8.360 nan 0.000 0.457 522 T N 0.897 115.455 114.554 0.008 0.000 2.823 522 T HA 0.406 4.756 4.350 0.001 0.000 0.279 522 T C -0.175 174.387 174.700 -0.230 0.000 0.998 522 T CA -0.974 61.032 62.100 -0.157 0.000 0.994 522 T CB 1.240 69.962 68.868 -0.243 0.000 0.960 522 T HN 0.145 nan 8.240 nan 0.000 0.448 523 K N 2.440 122.631 120.400 -0.348 0.000 2.249 523 K HA 0.514 4.835 4.320 0.001 0.000 0.280 523 K C -1.262 175.052 176.600 -0.477 0.000 1.033 523 K CA -0.369 55.718 56.287 -0.334 0.000 0.946 523 K CB 0.574 32.696 32.500 -0.630 0.000 1.005 523 K HN 0.394 nan 8.250 nan 0.000 0.469 524 F N 1.624 121.644 119.950 0.116 0.000 2.529 524 F HA 0.321 4.849 4.527 0.001 0.000 0.320 524 F C -0.756 175.195 175.800 0.252 0.000 1.118 524 F CA -0.841 57.263 58.000 0.174 0.000 0.915 524 F CB 1.230 40.346 39.000 0.195 0.000 1.161 524 F HN 0.520 nan 8.300 nan 0.000 0.445 525 W N 3.630 125.121 121.300 0.319 0.000 2.313 525 W HA 0.501 5.162 4.660 0.001 0.000 0.328 525 W C -0.604 176.171 176.519 0.426 0.000 1.197 525 W CA -0.561 56.987 57.345 0.339 0.000 1.235 525 W CB 0.697 30.273 29.460 0.193 0.000 1.158 525 W HN 0.436 nan 8.180 nan 0.000 0.578 526 Y N -0.206 120.461 120.300 0.611 0.000 2.609 526 Y HA 0.674 5.225 4.550 0.001 0.000 0.342 526 Y C -0.833 175.297 175.900 0.384 0.000 1.058 526 Y CA -1.840 56.601 58.100 0.568 0.000 1.055 526 Y CB 1.146 40.074 38.460 0.780 0.000 1.292 526 Y HN 0.559 nan 8.280 nan 0.000 0.476 527 Q N 2.149 122.184 119.800 0.392 0.000 2.413 527 Q HA 0.732 5.073 4.340 0.001 0.000 0.276 527 Q C -1.701 174.421 176.000 0.203 0.000 1.099 527 Q CA -1.156 54.753 55.803 0.177 0.000 0.814 527 Q CB 3.206 32.017 28.738 0.121 0.000 1.379 527 Q HN 0.865 nan 8.270 nan 0.000 0.436 528 M N 2.452 122.086 119.600 0.056 0.000 2.259 528 M HA 0.428 4.908 4.480 0.001 0.000 0.304 528 M C -1.153 175.065 176.300 -0.137 0.000 1.019 528 M CA -0.958 54.308 55.300 -0.056 0.000 0.922 528 M CB 2.066 34.584 32.600 -0.135 0.000 1.600 528 M HN 0.589 nan 8.290 nan 0.000 0.433 529 I N 5.145 125.635 120.570 -0.132 0.000 2.337 529 I HA 0.329 4.500 4.170 0.001 0.000 0.291 529 I C -0.407 175.556 176.117 -0.257 0.000 1.046 529 I CA -0.186 61.008 61.300 -0.177 0.000 1.324 529 I CB 0.088 38.004 38.000 -0.139 0.000 1.409 529 I HN 0.638 nan 8.210 nan 0.000 0.494 530 L N 8.359 129.378 121.223 -0.341 0.000 2.317 530 L HA 0.455 4.796 4.340 0.001 0.000 0.281 530 L C -2.191 174.485 176.870 -0.324 0.000 1.024 530 L CA -1.867 52.673 54.840 -0.500 0.000 0.810 530 L CB 1.474 43.025 42.059 -0.847 0.000 1.240 530 L HN 0.266 nan 8.230 nan 0.000 0.427 531 P HA -0.006 nan 4.420 nan 0.000 0.267 531 P C -2.409 174.855 177.300 -0.060 0.000 1.201 531 P CA -0.637 62.400 63.100 -0.105 0.000 0.775 531 P CB -0.283 31.408 31.700 -0.014 0.000 0.854 532 P HA -0.096 nan 4.420 nan 0.000 0.267 532 P C -0.067 177.187 177.300 -0.077 0.000 1.200 532 P CA 0.730 63.719 63.100 -0.185 0.000 0.772 532 P CB -0.004 31.565 31.700 -0.220 0.000 0.855 533 H N -1.460 117.648 119.070 0.063 0.000 2.791 533 H HA -0.207 4.350 4.556 0.001 0.000 0.302 533 H C 0.114 175.502 175.328 0.100 0.000 1.198 533 H CA 0.140 56.229 56.048 0.068 0.000 1.145 533 H CB -2.418 27.376 29.762 0.052 0.000 1.385 533 H HN 0.415 nan 8.280 nan 0.000 0.409 534 F N 2.629 122.573 119.950 -0.011 0.000 2.593 534 F HA 0.066 4.594 4.527 0.001 0.000 0.393 534 F C 0.599 176.411 175.800 0.020 0.000 1.037 534 F CA 0.074 58.028 58.000 -0.076 0.000 1.195 534 F CB 0.434 39.277 39.000 -0.263 0.000 1.034 534 F HN 0.125 nan 8.300 nan 0.000 0.552 535 D N 6.431 126.533 120.400 -0.498 0.000 2.461 535 D HA 0.108 4.748 4.640 0.001 0.000 0.240 535 D C 0.703 176.662 176.300 -0.567 0.000 1.094 535 D CA -0.510 53.268 54.000 -0.371 0.000 0.868 535 D CB 0.966 41.696 40.800 -0.117 0.000 1.062 535 D HN 0.705 nan 8.370 nan 0.000 0.530 536 K N 0.921 120.973 120.400 -0.580 0.000 2.519 536 K HA -0.102 4.219 4.320 0.001 0.000 0.196 536 K C 1.014 177.603 176.600 -0.017 0.000 1.041 536 K CA 0.919 57.024 56.287 -0.303 0.000 0.954 536 K CB -0.034 32.422 32.500 -0.072 0.000 0.774 536 K HN 0.172 nan 8.250 nan 0.000 0.480 537 S N -0.244 115.413 115.700 -0.070 0.000 2.556 537 S HA 0.143 4.614 4.470 0.001 0.000 0.216 537 S C 0.124 174.690 174.600 -0.058 0.000 0.970 537 S CA -0.616 57.564 58.200 -0.033 0.000 0.912 537 S CB 0.058 63.233 63.200 -0.041 0.000 0.790 537 S HN 0.209 nan 8.310 nan 0.000 0.504 538 K N 1.196 121.541 120.400 -0.092 0.000 2.123 538 K HA 0.460 4.781 4.320 0.001 0.000 0.248 538 K C -0.599 175.916 176.600 -0.143 0.000 0.969 538 K CA -0.831 55.339 56.287 -0.196 0.000 0.882 538 K CB 0.877 33.138 32.500 -0.398 0.000 1.080 538 K HN -0.006 nan 8.250 nan 0.000 0.441 539 K N 2.413 122.680 120.400 -0.221 0.000 2.240 539 K HA 0.269 4.590 4.320 0.001 0.000 0.271 539 K C -0.980 175.483 176.600 -0.228 0.000 1.018 539 K CA -0.384 55.840 56.287 -0.105 0.000 0.874 539 K CB 0.863 33.308 32.500 -0.092 0.000 1.098 539 K HN 0.471 nan 8.250 nan 0.000 0.458 540 Y N 2.820 123.139 120.300 0.031 0.000 2.420 540 Y HA 0.280 4.831 4.550 0.001 0.000 0.334 540 Y C -1.772 174.058 175.900 -0.116 0.000 1.094 540 Y CA -2.266 55.831 58.100 -0.006 0.000 1.126 540 Y CB 1.105 39.630 38.460 0.109 0.000 1.217 540 Y HN 0.467 nan 8.280 nan 0.000 0.462 541 P HA 0.174 nan 4.420 nan 0.000 0.274 541 P C -1.177 175.975 177.300 -0.246 0.000 1.237 541 P CA -0.245 62.562 63.100 -0.488 0.000 0.793 541 P CB 1.417 32.370 31.700 -1.246 0.000 0.977 542 L N 1.832 122.939 121.223 -0.193 0.000 2.409 542 L HA 0.497 4.837 4.340 0.001 0.000 0.272 542 L C -1.288 175.754 176.870 0.286 0.000 0.980 542 L CA -1.145 53.736 54.840 0.068 0.000 0.826 542 L CB 1.747 43.857 42.059 0.085 0.000 1.268 542 L HN 0.140 nan 8.230 nan 0.000 0.407 543 L N 5.412 126.832 121.223 0.328 0.000 2.287 543 L HA 0.497 4.838 4.340 0.001 0.000 0.287 543 L C -1.131 175.973 176.870 0.391 0.000 1.022 543 L CA -0.264 54.828 54.840 0.421 0.000 0.814 543 L CB 1.508 43.776 42.059 0.349 0.000 1.217 543 L HN 0.640 nan 8.230 nan 0.000 0.420 544 L N 5.265 126.765 121.223 0.461 0.000 2.283 544 L HA 0.379 4.719 4.340 0.001 0.000 0.287 544 L C -0.631 176.477 176.870 0.397 0.000 1.073 544 L CA 0.186 55.287 54.840 0.436 0.000 0.822 544 L CB 0.519 42.879 42.059 0.501 0.000 1.186 544 L HN 0.670 nan 8.230 nan 0.000 0.436 545 D N 4.632 125.242 120.400 0.348 0.000 2.359 545 D HA 0.337 4.977 4.640 0.001 0.000 0.230 545 D C -0.811 175.568 176.300 0.131 0.000 1.118 545 D CA -0.209 53.919 54.000 0.213 0.000 0.844 545 D CB 1.145 42.144 40.800 0.331 0.000 1.059 545 D HN 0.319 nan 8.370 nan 0.000 0.493 546 V N 2.988 122.909 119.914 0.011 0.000 2.628 546 V HA 0.545 4.666 4.120 0.001 0.000 0.306 546 V C -0.739 175.443 176.094 0.146 0.000 1.045 546 V CA -0.554 61.817 62.300 0.117 0.000 0.905 546 V CB 1.534 33.425 31.823 0.114 0.000 0.997 546 V HN 0.588 nan 8.190 nan 0.000 0.436 547 Y N 4.485 124.852 120.300 0.112 0.000 2.891 547 Y HA 0.611 5.161 4.550 0.001 0.000 0.228 547 Y C 1.858 177.902 175.900 0.241 0.000 1.000 547 Y CA 1.762 59.959 58.100 0.160 0.000 1.491 547 Y CB 0.137 38.675 38.460 0.130 0.000 1.394 547 Y HN 1.395 nan 8.280 nan 0.000 0.477 548 A N 0.515 123.477 122.820 0.237 0.000 2.952 548 A HA -0.142 4.178 4.320 0.001 0.000 0.252 548 A C 0.988 178.480 177.584 -0.154 0.000 1.323 548 A CA 0.792 52.904 52.037 0.125 0.000 0.957 548 A CB -2.530 16.583 19.000 0.188 0.000 1.130 548 A HN 0.966 nan 8.150 nan 0.000 0.799 549 G N -0.486 107.996 108.800 -0.530 0.000 2.664 549 G HA2 0.450 4.411 3.960 0.001 0.000 0.242 549 G HA3 0.450 4.411 3.960 0.001 0.000 0.242 549 G C -2.002 172.613 174.900 -0.475 0.000 1.225 549 G CA -0.427 43.973 45.100 -1.167 0.000 0.849 549 G HN 0.361 nan 8.290 nan 0.000 0.581 550 P HA 0.070 nan 4.420 nan 0.000 0.263 550 P C 0.626 177.785 177.300 -0.234 0.000 1.195 550 P CA 0.043 62.874 63.100 -0.450 0.000 0.762 550 P CB 0.710 31.770 31.700 -1.066 0.000 0.799 551 C N 2.301 121.535 119.300 -0.110 0.000 4.475 551 C HA -0.149 4.311 4.460 0.001 0.000 0.280 551 C C 1.034 176.061 174.990 0.062 0.000 1.338 551 C CA 1.171 60.097 59.018 -0.154 0.000 1.893 551 C CB -2.634 24.861 27.740 -0.408 0.000 1.299 551 C HN 0.801 nan 8.230 nan 0.000 0.767 552 S N 0.096 115.893 115.700 0.161 0.000 2.632 552 S HA 0.566 5.036 4.470 0.001 0.000 0.267 552 S C -0.605 174.167 174.600 0.286 0.000 1.276 552 S CA 0.139 58.519 58.200 0.300 0.000 0.998 552 S CB 1.643 65.086 63.200 0.404 0.000 0.953 552 S HN 0.821 nan 8.310 nan 0.000 0.547 553 Q N -0.036 119.956 119.800 0.320 0.000 2.275 553 Q HA 0.356 4.697 4.340 0.001 0.000 0.258 553 Q C -0.835 175.296 176.000 0.218 0.000 0.960 553 Q CA -0.612 55.368 55.803 0.295 0.000 0.801 553 Q CB 1.070 30.045 28.738 0.394 0.000 1.302 553 Q HN 0.688 nan 8.270 nan 0.000 0.433 554 K N 1.112 121.638 120.400 0.209 0.000 2.374 554 K HA 0.351 4.672 4.320 0.001 0.000 0.202 554 K C -0.522 176.188 176.600 0.184 0.000 1.040 554 K CA 0.255 56.655 56.287 0.188 0.000 1.085 554 K CB 1.645 34.282 32.500 0.227 0.000 0.873 554 K HN 0.504 nan 8.250 nan 0.000 0.539 555 A N 2.686 125.625 122.820 0.198 0.000 2.277 555 A HA 0.474 4.795 4.320 0.001 0.000 0.318 555 A C -0.811 176.849 177.584 0.127 0.000 1.339 555 A CA -0.486 51.670 52.037 0.200 0.000 0.875 555 A CB 0.267 19.452 19.000 0.308 0.000 1.158 555 A HN 0.243 nan 8.150 nan 0.000 0.514 556 D N -0.059 120.386 120.400 0.074 0.000 2.759 556 D HA 0.385 5.026 4.640 0.001 0.000 0.321 556 D C 0.311 176.614 176.300 0.004 0.000 1.267 556 D CA 0.287 54.311 54.000 0.040 0.000 0.933 556 D CB 0.260 41.080 40.800 0.034 0.000 1.431 556 D HN 0.191 nan 8.370 nan 0.000 0.504 557 T N -2.218 112.349 114.554 0.021 0.000 3.206 557 T HA 0.328 4.679 4.350 0.001 0.000 0.253 557 T C 0.406 175.056 174.700 -0.083 0.000 1.042 557 T CA -0.365 61.742 62.100 0.012 0.000 0.931 557 T CB -0.664 68.260 68.868 0.093 0.000 1.029 557 T HN 0.275 nan 8.240 nan 0.000 0.564 558 V N 2.609 122.375 119.914 -0.247 0.000 2.555 558 V HA 0.317 4.438 4.120 0.001 0.000 0.286 558 V C 0.106 176.137 176.094 -0.105 0.000 1.044 558 V CA -1.028 61.094 62.300 -0.297 0.000 1.026 558 V CB 0.063 31.590 31.823 -0.493 0.000 0.981 558 V HN 0.565 nan 8.190 nan 0.000 0.480 559 F N 6.644 126.495 119.950 -0.165 0.000 2.472 559 F HA 0.483 5.011 4.527 0.001 0.000 0.364 559 F C 0.599 176.340 175.800 -0.098 0.000 1.090 559 F CA -0.029 57.900 58.000 -0.118 0.000 1.188 559 F CB 0.160 39.099 39.000 -0.103 0.000 1.105 559 F HN 0.434 nan 8.300 nan 0.000 0.536 560 R N 6.658 126.743 120.500 -0.692 0.000 2.686 560 R HA 0.539 4.880 4.340 0.001 0.000 0.283 560 R C -1.576 174.342 176.300 -0.635 0.000 0.978 560 R CA -1.077 54.748 56.100 -0.458 0.000 0.897 560 R CB 2.114 32.276 30.300 -0.231 0.000 1.192 560 R HN 0.654 nan 8.270 nan 0.000 0.457 561 L N 4.241 125.273 121.223 -0.319 0.000 2.301 561 L HA 0.410 4.751 4.340 0.001 0.000 0.278 561 L C -0.578 176.303 176.870 0.019 0.000 1.022 561 L CA -0.635 54.067 54.840 -0.229 0.000 0.854 561 L CB 0.554 42.624 42.059 0.019 0.000 1.226 561 L HN 0.769 nan 8.230 nan 0.000 0.429 562 N N 0.481 119.120 118.700 -0.103 0.000 3.418 562 N HA 0.144 4.885 4.740 0.001 0.000 0.316 562 N C 0.130 175.345 175.510 -0.492 0.000 1.601 562 N CA -0.890 52.022 53.050 -0.230 0.000 0.805 562 N CB 0.193 38.637 38.487 -0.072 0.000 1.873 562 N HN 0.306 nan 8.380 nan 0.000 0.615 563 W N 0.707 121.432 121.300 -0.960 0.000 2.338 563 W HA 0.167 4.828 4.660 0.001 0.000 0.304 563 W C 2.068 178.545 176.519 -0.070 0.000 1.212 563 W CA 2.902 59.908 57.345 -0.564 0.000 1.264 563 W CB -1.003 28.258 29.460 -0.333 0.000 1.142 563 W HN 0.713 nan 8.180 nan 0.000 0.512 564 A N -0.403 122.393 122.820 -0.040 0.000 1.940 564 A HA -0.230 4.090 4.320 0.001 0.000 0.219 564 A C 1.940 179.421 177.584 -0.172 0.000 1.176 564 A CA 2.604 54.556 52.037 -0.142 0.000 0.631 564 A CB -1.322 17.675 19.000 -0.005 0.000 0.814 564 A HN 0.313 nan 8.150 nan 0.000 0.446 565 T N -1.155 113.304 114.554 -0.157 0.000 2.684 565 T HA -0.232 4.118 4.350 0.001 0.000 0.267 565 T C 1.808 176.509 174.700 0.003 0.000 1.036 565 T CA 1.788 63.760 62.100 -0.214 0.000 1.148 565 T CB -0.514 68.026 68.868 -0.547 0.000 0.863 565 T HN 0.695 nan 8.240 nan 0.000 0.436 566 Y N 2.093 122.459 120.300 0.110 0.000 2.145 566 Y HA -0.023 4.528 4.550 0.001 0.000 0.286 566 Y C 1.968 177.861 175.900 -0.012 0.000 1.145 566 Y CA 0.893 59.109 58.100 0.192 0.000 1.148 566 Y CB -0.779 37.796 38.460 0.193 0.000 0.981 566 Y HN 0.120 nan 8.280 nan 0.000 0.507 567 L N 0.245 121.045 121.223 -0.706 0.000 2.042 567 L HA -0.219 4.122 4.340 0.001 0.000 0.210 567 L C 2.834 179.455 176.870 -0.416 0.000 1.076 567 L CA 1.366 55.729 54.840 -0.796 0.000 0.749 567 L CB -1.005 40.638 42.059 -0.693 0.000 0.893 567 L HN 0.411 nan 8.230 nan 0.000 0.432 568 A N -1.202 121.455 122.820 -0.270 0.000 1.872 568 A HA -0.184 4.137 4.320 0.001 0.000 0.214 568 A C 2.525 180.044 177.584 -0.109 0.000 1.187 568 A CA 1.812 53.749 52.037 -0.167 0.000 0.614 568 A CB -0.631 18.268 19.000 -0.169 0.000 0.826 568 A HN 0.338 nan 8.150 nan 0.000 0.442 569 S N -1.304 114.348 115.700 -0.080 0.000 2.357 569 S HA -0.103 4.367 4.470 0.001 0.000 0.221 569 S C 1.979 176.601 174.600 0.037 0.000 1.031 569 S CA 2.202 60.407 58.200 0.007 0.000 0.982 569 S CB -0.365 62.894 63.200 0.097 0.000 0.853 569 S HN 0.569 nan 8.310 nan 0.000 0.458 570 T N 1.108 115.661 114.554 -0.001 0.000 2.983 570 T HA 0.192 4.543 4.350 0.001 0.000 0.250 570 T C 1.357 176.037 174.700 -0.034 0.000 1.037 570 T CA 0.517 62.638 62.100 0.035 0.000 1.142 570 T CB -0.067 68.903 68.868 0.170 0.000 0.876 570 T HN 0.294 nan 8.240 nan 0.000 0.455 571 E N 1.197 121.289 120.200 -0.179 0.000 2.474 571 E HA 0.181 4.532 4.350 0.001 0.000 0.195 571 E C -0.034 176.554 176.600 -0.021 0.000 1.039 571 E CA -0.066 56.264 56.400 -0.116 0.000 0.881 571 E CB -0.238 29.323 29.700 -0.231 0.000 0.970 571 E HN 0.537 nan 8.360 nan 0.000 0.486 572 N N 0.594 119.294 118.700 -0.000 0.000 2.740 572 N HA -0.190 4.551 4.740 0.001 0.000 0.248 572 N C -0.831 174.772 175.510 0.155 0.000 1.062 572 N CA 0.212 53.332 53.050 0.118 0.000 0.704 572 N CB -1.246 37.355 38.487 0.191 0.000 0.968 572 N HN 0.187 nan 8.380 nan 0.000 0.547 573 I N 0.961 121.549 120.570 0.029 0.000 2.377 573 I HA 0.346 4.517 4.170 0.001 0.000 0.293 573 I C 0.578 176.677 176.117 -0.029 0.000 0.987 573 I CA -0.846 60.474 61.300 0.032 0.000 1.185 573 I CB 1.274 39.300 38.000 0.044 0.000 1.341 573 I HN 0.032 nan 8.210 nan 0.000 0.455 574 I N 6.556 127.117 120.570 -0.015 0.000 2.471 574 I HA 0.114 4.285 4.170 0.001 0.000 0.286 574 I C -0.335 175.772 176.117 -0.016 0.000 1.079 574 I CA -0.262 60.991 61.300 -0.079 0.000 1.398 574 I CB 0.759 38.716 38.000 -0.072 0.000 1.403 574 I HN 0.197 nan 8.210 nan 0.000 0.530 575 V N 6.801 126.692 119.914 -0.039 0.000 2.334 575 V HA 0.609 4.729 4.120 0.001 0.000 0.281 575 V C 0.365 176.491 176.094 0.055 0.000 1.016 575 V CA -0.480 61.846 62.300 0.043 0.000 0.832 575 V CB 0.985 32.825 31.823 0.029 0.000 0.999 575 V HN 0.834 nan 8.190 nan 0.000 0.439 576 A N 4.020 126.907 122.820 0.112 0.000 2.337 576 A HA 0.943 5.264 4.320 0.001 0.000 0.331 576 A C -0.077 177.673 177.584 0.277 0.000 1.137 576 A CA -0.465 51.639 52.037 0.113 0.000 0.807 576 A CB 1.545 20.490 19.000 -0.091 0.000 1.250 576 A HN 0.694 nan 8.150 nan 0.000 0.468 577 S N -0.166 115.742 115.700 0.347 0.000 2.569 577 S HA 0.772 5.243 4.470 0.001 0.000 0.280 577 S C -1.451 173.508 174.600 0.599 0.000 1.111 577 S CA -0.328 58.122 58.200 0.417 0.000 0.887 577 S CB 1.406 64.787 63.200 0.303 0.000 1.095 577 S HN 0.803 nan 8.310 nan 0.000 0.476 578 F N 1.615 121.805 119.950 0.399 0.000 2.569 578 F HA 0.512 5.039 4.527 0.001 0.000 0.312 578 F C -1.689 174.320 175.800 0.348 0.000 1.109 578 F CA -0.809 57.450 58.000 0.433 0.000 0.919 578 F CB 1.586 40.805 39.000 0.365 0.000 1.211 578 F HN 0.399 nan 8.300 nan 0.000 0.446 579 D N 4.245 124.407 120.400 -0.396 0.000 2.460 579 D HA 0.425 5.065 4.640 0.001 0.000 0.232 579 D C 0.266 176.222 176.300 -0.573 0.000 1.079 579 D CA 0.081 53.930 54.000 -0.251 0.000 0.864 579 D CB 1.577 42.419 40.800 0.069 0.000 1.048 579 D HN 0.783 nan 8.370 nan 0.000 0.523 580 G N 1.303 109.843 108.800 -0.433 0.000 2.782 580 G HA2 0.332 4.293 3.960 0.001 0.000 0.201 580 G HA3 0.332 4.293 3.960 0.001 0.000 0.201 580 G C 0.079 174.941 174.900 -0.063 0.000 1.374 580 G CA -0.719 44.145 45.100 -0.393 0.000 1.039 580 G HN 0.281 nan 8.290 nan 0.000 0.576 581 R N -0.712 119.729 120.500 -0.098 0.000 2.640 581 R HA 0.364 4.705 4.340 0.001 0.000 0.270 581 R C 1.299 177.678 176.300 0.133 0.000 1.024 581 R CA 1.459 57.619 56.100 0.099 0.000 1.085 581 R CB 0.450 30.791 30.300 0.069 0.000 0.963 581 R HN 1.083 nan 8.270 nan 0.000 0.426 582 G N 1.096 109.979 108.800 0.139 0.000 2.253 582 G HA2 -0.345 3.615 3.960 0.001 0.000 0.251 582 G HA3 -0.345 3.615 3.960 0.001 0.000 0.251 582 G C 0.189 175.122 174.900 0.055 0.000 0.998 582 G CA 0.304 45.467 45.100 0.105 0.000 0.621 582 G HN 0.743 nan 8.290 nan 0.000 0.524 583 S N 0.341 116.085 115.700 0.074 0.000 2.600 583 S HA 0.638 5.109 4.470 0.001 0.000 0.265 583 S C 0.904 175.499 174.600 -0.009 0.000 1.325 583 S CA 0.487 58.726 58.200 0.064 0.000 1.002 583 S CB 1.689 64.956 63.200 0.112 0.000 0.921 583 S HN 1.676 nan 8.310 nan 0.000 0.554 584 G N -0.695 108.062 108.800 -0.072 0.000 2.511 584 G HA2 0.487 4.448 3.960 0.001 0.000 0.316 584 G HA3 0.487 4.448 3.960 0.001 0.000 0.316 584 G C -0.902 173.849 174.900 -0.249 0.000 1.210 584 G CA -0.936 43.928 45.100 -0.392 0.000 0.969 584 G HN 1.015 nan 8.290 nan 0.000 0.492 585 Y N -2.519 117.795 120.300 0.024 0.000 4.729 585 Y HA -0.214 4.337 4.550 0.001 0.000 0.239 585 Y C 1.354 177.273 175.900 0.032 0.000 1.043 585 Y CA 1.029 59.147 58.100 0.031 0.000 2.045 585 Y CB -2.182 36.313 38.460 0.059 0.000 1.599 585 Y HN 0.555 nan 8.280 nan 0.000 0.655 586 Q N 0.002 119.827 119.800 0.042 0.000 2.086 586 Q HA 0.511 4.852 4.340 0.001 0.000 0.220 586 Q C 0.913 176.809 176.000 -0.173 0.000 0.792 586 Q CA 0.201 56.037 55.803 0.055 0.000 1.062 586 Q CB 1.676 30.444 28.738 0.051 0.000 1.198 586 Q HN 0.594 nan 8.270 nan 0.000 0.466 587 G N 0.798 109.366 108.800 -0.388 0.000 2.690 587 G HA2 -0.182 3.778 3.960 0.001 0.000 0.686 587 G HA3 -0.182 3.778 3.960 0.001 0.000 0.686 587 G C -0.495 174.033 174.900 -0.620 0.000 1.277 587 G CA -0.545 44.042 45.100 -0.856 0.000 0.799 587 G HN 0.116 nan 8.290 nan 0.000 0.613 588 D N -0.038 119.953 120.400 -0.680 0.000 2.224 588 D HA -0.040 4.601 4.640 0.001 0.000 0.205 588 D C 2.215 178.238 176.300 -0.461 0.000 0.965 588 D CA 1.245 54.804 54.000 -0.734 0.000 0.852 588 D CB 0.010 40.320 40.800 -0.817 0.000 0.947 588 D HN 0.612 nan 8.370 nan 0.000 0.494 589 K N 0.542 120.725 120.400 -0.361 0.000 2.044 589 K HA -0.151 4.169 4.320 0.001 0.000 0.210 589 K C 2.009 178.537 176.600 -0.120 0.000 1.049 589 K CA 1.084 57.252 56.287 -0.197 0.000 0.927 589 K CB -0.085 32.313 32.500 -0.170 0.000 0.713 589 K HN 0.101 nan 8.250 nan 0.000 0.443 590 I N 0.149 120.636 120.570 -0.138 0.000 2.235 590 I HA -0.212 3.958 4.170 0.001 0.000 0.241 590 I C 2.639 178.752 176.117 -0.008 0.000 1.085 590 I CA 0.908 62.203 61.300 -0.009 0.000 1.378 590 I CB -0.113 37.899 38.000 0.019 0.000 1.076 590 I HN 0.296 nan 8.210 nan 0.000 0.415 591 M N 0.038 119.558 119.600 -0.133 0.000 2.132 591 M HA -0.227 4.253 4.480 0.001 0.000 0.263 591 M C 1.903 178.244 176.300 0.068 0.000 1.065 591 M CA 1.990 57.237 55.300 -0.088 0.000 1.122 591 M CB -0.290 32.156 32.600 -0.255 0.000 1.365 591 M HN 0.275 nan 8.290 nan 0.000 0.411 592 H N -0.814 118.163 119.070 -0.155 0.000 2.547 592 H HA 0.177 4.734 4.556 0.001 0.000 0.266 592 H C 1.833 177.189 175.328 0.047 0.000 0.988 592 H CA 0.102 56.072 56.048 -0.129 0.000 1.147 592 H CB 0.165 29.752 29.762 -0.291 0.000 1.365 592 H HN 0.514 nan 8.280 nan 0.000 0.589 593 A N 1.482 124.412 122.820 0.184 0.000 2.024 593 A HA -0.156 4.165 4.320 0.001 0.000 0.220 593 A C 1.920 179.718 177.584 0.357 0.000 1.164 593 A CA 1.322 53.490 52.037 0.217 0.000 0.643 593 A CB -0.533 18.553 19.000 0.143 0.000 0.806 593 A HN 0.464 nan 8.150 nan 0.000 0.451 594 I N -2.377 118.371 120.570 0.296 0.000 3.861 594 I HA 0.163 4.333 4.170 0.001 0.000 0.329 594 I C 0.383 176.585 176.117 0.142 0.000 1.321 594 I CA -0.753 60.670 61.300 0.204 0.000 1.126 594 I CB -0.964 37.122 38.000 0.143 0.000 1.018 594 I HN 0.211 nan 8.210 nan 0.000 0.407 595 N N 3.024 121.858 118.700 0.224 0.000 2.359 595 N HA -0.090 4.650 4.740 0.001 0.000 0.261 595 N C 0.245 175.777 175.510 0.037 0.000 1.267 595 N CA 0.312 53.482 53.050 0.201 0.000 0.864 595 N CB 0.280 38.849 38.487 0.138 0.000 1.063 595 N HN 0.373 nan 8.380 nan 0.000 0.474 596 R N 0.737 121.233 120.500 -0.008 0.000 4.000 596 R HA -0.161 4.180 4.340 0.001 0.000 0.362 596 R C -0.321 175.836 176.300 -0.238 0.000 1.183 596 R CA 0.834 56.882 56.100 -0.087 0.000 1.011 596 R CB -0.794 29.476 30.300 -0.049 0.000 1.501 596 R HN 0.647 nan 8.270 nan 0.000 0.553 597 R N 0.470 120.818 120.500 -0.253 0.000 2.648 597 R HA 0.259 4.600 4.340 0.001 0.000 0.341 597 R C -0.258 175.974 176.300 -0.113 0.000 1.154 597 R CA -0.257 55.552 56.100 -0.485 0.000 1.228 597 R CB 0.344 30.343 30.300 -0.502 0.000 1.311 597 R HN 0.096 nan 8.270 nan 0.000 0.659 598 L N -0.180 121.047 121.223 0.005 0.000 2.483 598 L HA 0.160 4.501 4.340 0.001 0.000 0.275 598 L C 1.411 178.514 176.870 0.388 0.000 1.220 598 L CA 0.945 55.851 54.840 0.110 0.000 0.833 598 L CB 0.315 42.243 42.059 -0.218 0.000 1.102 598 L HN 0.661 nan 8.230 nan 0.000 0.490 599 G N 0.623 109.696 108.800 0.455 0.000 2.160 599 G HA2 -0.291 3.670 3.960 0.001 0.000 0.251 599 G HA3 -0.291 3.670 3.960 0.001 0.000 0.251 599 G C 0.454 175.439 174.900 0.142 0.000 1.008 599 G CA 0.620 45.925 45.100 0.342 0.000 0.724 599 G HN 0.891 nan 8.290 nan 0.000 0.514 600 T N -3.751 110.844 114.554 0.069 0.000 3.257 600 T HA 0.467 4.817 4.350 0.001 0.000 0.176 600 T C 1.641 176.316 174.700 -0.042 0.000 0.892 600 T CA 0.898 62.935 62.100 -0.106 0.000 1.147 600 T CB -0.014 68.605 68.868 -0.415 0.000 1.840 600 T HN 0.132 nan 8.240 nan 0.000 0.375 601 F N 3.411 123.399 119.950 0.064 0.000 2.216 601 F HA 0.103 4.631 4.527 0.001 0.000 0.300 601 F C 2.796 178.623 175.800 0.045 0.000 1.085 601 F CA 1.115 59.139 58.000 0.040 0.000 1.326 601 F CB -0.627 38.392 39.000 0.032 0.000 1.027 601 F HN 0.525 nan 8.300 nan 0.000 0.497 602 E N 0.735 121.082 120.200 0.245 0.000 2.152 602 E HA -0.107 4.244 4.350 0.001 0.000 0.192 602 E C 2.081 178.780 176.600 0.165 0.000 0.983 602 E CA 1.358 57.877 56.400 0.197 0.000 0.818 602 E CB -1.006 28.815 29.700 0.201 0.000 0.758 602 E HN 0.287 nan 8.360 nan 0.000 0.467 603 V N 1.905 121.893 119.914 0.123 0.000 2.283 603 V HA -0.222 3.899 4.120 0.001 0.000 0.243 603 V C 2.378 178.506 176.094 0.057 0.000 1.039 603 V CA 2.171 64.499 62.300 0.047 0.000 1.016 603 V CB -0.669 31.134 31.823 -0.032 0.000 0.650 603 V HN 0.219 nan 8.190 nan 0.000 0.449 604 E N 0.275 120.525 120.200 0.083 0.000 2.085 604 E HA -0.262 4.089 4.350 0.001 0.000 0.194 604 E C 1.926 178.560 176.600 0.057 0.000 0.994 604 E CA 1.619 58.067 56.400 0.080 0.000 0.801 604 E CB -0.247 29.536 29.700 0.137 0.000 0.743 604 E HN 0.587 nan 8.360 nan 0.000 0.453 605 D N 0.342 120.795 120.400 0.088 0.000 2.144 605 D HA -0.128 4.513 4.640 0.001 0.000 0.200 605 D C 2.043 178.375 176.300 0.053 0.000 0.978 605 D CA 0.757 54.801 54.000 0.074 0.000 0.833 605 D CB -0.134 40.744 40.800 0.130 0.000 0.961 605 D HN 0.105 nan 8.370 nan 0.000 0.470 606 Q N 0.233 120.115 119.800 0.137 0.000 2.084 606 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 606 Q C 2.592 178.628 176.000 0.060 0.000 0.978 606 Q CA 0.628 56.506 55.803 0.124 0.000 0.844 606 Q CB -0.271 28.560 28.738 0.156 0.000 0.898 606 Q HN 0.424 nan 8.270 nan 0.000 0.426 607 I N 0.794 121.416 120.570 0.087 0.000 2.226 607 I HA -0.276 3.895 4.170 0.001 0.000 0.245 607 I C 2.442 178.517 176.117 -0.071 0.000 1.100 607 I CA 1.329 62.712 61.300 0.138 0.000 1.374 607 I CB -0.250 37.823 38.000 0.122 0.000 1.057 607 I HN 0.168 nan 8.210 nan 0.000 0.413 608 E N 1.519 121.628 120.200 -0.151 0.000 2.077 608 E HA -0.199 4.151 4.350 0.001 0.000 0.193 608 E C 2.119 178.423 176.600 -0.493 0.000 0.989 608 E CA 1.664 57.909 56.400 -0.258 0.000 0.800 608 E CB -0.194 29.382 29.700 -0.208 0.000 0.746 608 E HN 0.405 nan 8.360 nan 0.000 0.452 609 A N 0.991 123.351 122.820 -0.768 0.000 1.883 609 A HA -0.118 4.202 4.320 0.001 0.000 0.217 609 A C 2.501 179.306 177.584 -1.299 0.000 1.186 609 A CA 2.477 53.712 52.037 -1.337 0.000 0.624 609 A CB -1.259 16.708 19.000 -1.723 0.000 0.822 609 A HN 0.418 nan 8.150 nan 0.000 0.444 610 A N -0.628 121.805 122.820 -0.645 0.000 1.902 610 A HA -0.187 4.134 4.320 0.001 0.000 0.217 610 A C 2.254 179.617 177.584 -0.368 0.000 1.181 610 A CA 1.806 53.633 52.037 -0.351 0.000 0.623 610 A CB -0.559 18.338 19.000 -0.172 0.000 0.818 610 A HN 0.554 nan 8.150 nan 0.000 0.443 611 R N -0.531 119.755 120.500 -0.356 0.000 2.096 611 R HA -0.220 4.121 4.340 0.001 0.000 0.240 611 R C 2.457 178.594 176.300 -0.272 0.000 1.139 611 R CA 2.107 58.040 56.100 -0.279 0.000 0.952 611 R CB -0.311 29.855 30.300 -0.223 0.000 0.854 611 R HN 0.718 nan 8.270 nan 0.000 0.436 612 Q N -0.795 118.781 119.800 -0.373 0.000 2.046 612 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 612 Q C 2.077 177.955 176.000 -0.203 0.000 0.975 612 Q CA 1.461 57.076 55.803 -0.313 0.000 0.836 612 Q CB -0.154 28.355 28.738 -0.382 0.000 0.896 612 Q HN 0.301 nan 8.270 nan 0.000 0.428 613 F N 1.146 120.934 119.950 -0.270 0.000 2.120 613 F HA -0.220 4.307 4.527 0.001 0.000 0.300 613 F C 2.756 178.398 175.800 -0.263 0.000 1.095 613 F CA 1.449 59.287 58.000 -0.270 0.000 1.249 613 F CB -1.456 37.416 39.000 -0.215 0.000 0.995 613 F HN 0.103 nan 8.300 nan 0.000 0.480 614 S N -0.414 115.251 115.700 -0.060 0.000 2.500 614 S HA -0.147 4.323 4.470 0.001 0.000 0.239 614 S C 1.612 176.130 174.600 -0.138 0.000 0.989 614 S CA 0.914 59.044 58.200 -0.116 0.000 0.951 614 S CB -0.522 62.584 63.200 -0.156 0.000 0.759 614 S HN 0.467 nan 8.310 nan 0.000 0.523 615 K N -0.207 120.106 120.400 -0.144 0.000 2.367 615 K HA 0.338 4.659 4.320 0.001 0.000 0.194 615 K C 0.161 176.659 176.600 -0.170 0.000 1.027 615 K CA -0.112 56.093 56.287 -0.137 0.000 1.075 615 K CB 0.098 32.528 32.500 -0.116 0.000 0.845 615 K HN 0.431 nan 8.250 nan 0.000 0.529 616 M N -0.087 119.359 119.600 -0.258 0.000 2.243 616 M HA 0.041 4.521 4.480 0.001 0.000 0.341 616 M C 1.537 177.567 176.300 -0.451 0.000 1.130 616 M CA 0.059 55.097 55.300 -0.436 0.000 1.162 616 M CB 0.999 33.110 32.600 -0.815 0.000 1.497 616 M HN 0.176 nan 8.290 nan 0.000 0.456 617 G N 1.837 110.443 108.800 -0.324 0.000 2.470 617 G HA2 -0.174 3.786 3.960 0.001 0.000 0.220 617 G HA3 -0.174 3.786 3.960 0.001 0.000 0.220 617 G C 0.741 175.610 174.900 -0.051 0.000 1.121 617 G CA 0.689 45.718 45.100 -0.118 0.000 0.766 617 G HN 0.798 nan 8.290 nan 0.000 0.553 618 F N -0.509 119.493 119.950 0.088 0.000 2.664 618 F HA 0.616 5.143 4.527 0.001 0.000 0.303 618 F C -0.156 175.764 175.800 0.200 0.000 1.092 618 F CA -1.413 56.679 58.000 0.153 0.000 1.305 618 F CB -0.114 39.036 39.000 0.250 0.000 1.054 618 F HN -0.180 nan 8.300 nan 0.000 0.565 619 V N 1.604 121.485 119.914 -0.054 0.000 2.459 619 V HA 0.212 4.333 4.120 0.001 0.000 0.295 619 V C -0.715 175.352 176.094 -0.046 0.000 1.029 619 V CA -0.809 61.489 62.300 -0.004 0.000 0.874 619 V CB 1.543 33.307 31.823 -0.099 0.000 0.985 619 V HN 0.067 nan 8.190 nan 0.000 0.438 620 D N 3.930 124.304 120.400 -0.043 0.000 2.352 620 D HA 0.050 4.691 4.640 0.001 0.000 0.245 620 D C 1.189 177.433 176.300 -0.093 0.000 1.224 620 D CA -0.275 53.675 54.000 -0.084 0.000 0.879 620 D CB 0.761 41.491 40.800 -0.117 0.000 1.057 620 D HN 0.638 nan 8.370 nan 0.000 0.491 621 N N 3.647 122.295 118.700 -0.087 0.000 2.573 621 N HA -0.170 4.571 4.740 0.001 0.000 0.187 621 N C 0.714 176.179 175.510 -0.075 0.000 1.107 621 N CA 0.863 53.857 53.050 -0.092 0.000 0.918 621 N CB -0.121 38.307 38.487 -0.098 0.000 0.966 621 N HN 0.375 nan 8.380 nan 0.000 0.448 622 K N -0.366 119.998 120.400 -0.060 0.000 2.418 622 K HA 0.156 4.477 4.320 0.001 0.000 0.195 622 K C 0.219 176.820 176.600 0.002 0.000 1.035 622 K CA 0.320 56.590 56.287 -0.029 0.000 1.003 622 K CB 0.358 32.843 32.500 -0.026 0.000 0.793 622 K HN 0.151 nan 8.250 nan 0.000 0.494 623 R N 1.201 121.674 120.500 -0.045 0.000 2.681 623 R HA 0.352 4.692 4.340 0.001 0.000 0.277 623 R C -1.056 175.204 176.300 -0.067 0.000 1.563 623 R CA -0.127 55.938 56.100 -0.058 0.000 1.673 623 R CB 0.609 30.698 30.300 -0.351 0.000 1.258 623 R HN -0.000 nan 8.270 nan 0.000 0.650 624 I N 1.102 121.759 120.570 0.145 0.000 2.406 624 I HA 0.564 4.734 4.170 0.001 0.000 0.290 624 I C -0.068 176.328 176.117 0.466 0.000 0.999 624 I CA -0.739 60.685 61.300 0.208 0.000 1.124 624 I CB 1.993 39.968 38.000 -0.040 0.000 1.289 624 I HN 0.312 nan 8.210 nan 0.000 0.441 625 A N 6.901 130.099 122.820 0.630 0.000 2.387 625 A HA 0.915 5.236 4.320 0.001 0.000 0.303 625 A C -1.190 176.759 177.584 0.607 0.000 1.145 625 A CA -0.642 51.751 52.037 0.593 0.000 0.801 625 A CB 1.984 21.221 19.000 0.395 0.000 1.342 625 A HN 0.726 nan 8.150 nan 0.000 0.440 626 I N 0.656 121.490 120.570 0.440 0.000 2.686 626 I HA 0.730 4.900 4.170 0.001 0.000 0.295 626 I C -1.781 174.585 176.117 0.415 0.000 1.114 626 I CA -0.586 60.897 61.300 0.305 0.000 1.038 626 I CB 1.607 39.495 38.000 -0.187 0.000 1.238 626 I HN 0.913 nan 8.210 nan 0.000 0.420 627 W N 7.134 128.564 121.300 0.216 0.000 3.118 627 W HA 0.850 5.511 4.660 0.001 0.000 0.328 627 W C -1.525 175.145 176.519 0.252 0.000 1.239 627 W CA -1.014 56.472 57.345 0.235 0.000 1.176 627 W CB 1.158 30.814 29.460 0.327 0.000 1.433 627 W HN 0.826 nan 8.180 nan 0.000 0.562 628 G N 1.037 109.796 108.800 -0.068 0.000 2.601 628 G HA2 0.466 4.427 3.960 0.001 0.000 0.291 628 G HA3 0.466 4.427 3.960 0.001 0.000 0.291 628 G C -2.810 172.055 174.900 -0.059 0.000 1.456 628 G CA -0.715 44.185 45.100 -0.333 0.000 0.804 628 G HN 0.604 nan 8.290 nan 0.000 0.499 629 W N 1.082 122.261 121.300 -0.202 0.000 2.736 629 W HA 0.622 5.283 4.660 0.001 0.000 0.335 629 W C 0.733 177.292 176.519 0.067 0.000 1.059 629 W CA 0.393 57.714 57.345 -0.039 0.000 1.226 629 W CB 1.897 31.339 29.460 -0.030 0.000 1.416 629 W HN 1.323 nan 8.180 nan 0.000 0.505 630 S N 2.659 118.607 115.700 0.413 0.000 4.069 630 S HA -0.419 4.052 4.470 0.001 0.000 0.626 630 S C 1.073 175.793 174.600 0.200 0.000 2.000 630 S CA 1.531 60.000 58.200 0.448 0.000 4.174 630 S CB -1.842 61.772 63.200 0.690 0.000 0.210 630 S HN 0.733 nan 8.310 nan 0.000 0.602 631 Y N 2.274 122.582 120.300 0.012 0.000 2.193 631 Y HA -0.012 4.538 4.550 0.001 0.000 0.285 631 Y C 2.428 178.215 175.900 -0.188 0.000 1.166 631 Y CA 2.850 60.825 58.100 -0.208 0.000 1.181 631 Y CB -1.073 37.052 38.460 -0.558 0.000 0.976 631 Y HN 0.576 nan 8.280 nan 0.000 0.520 632 G N -1.143 107.628 108.800 -0.049 0.000 2.432 632 G HA2 -0.214 3.746 3.960 0.001 0.000 0.219 632 G HA3 -0.214 3.746 3.960 0.001 0.000 0.219 632 G C 1.892 176.813 174.900 0.036 0.000 1.135 632 G CA 0.740 45.863 45.100 0.039 0.000 0.767 632 G HN 0.587 nan 8.290 nan 0.000 0.550 633 G N -0.189 108.645 108.800 0.056 0.000 2.403 633 G HA2 -0.201 3.759 3.960 0.001 0.000 0.216 633 G HA3 -0.201 3.759 3.960 0.001 0.000 0.216 633 G C 1.564 176.479 174.900 0.025 0.000 1.154 633 G CA 1.011 46.134 45.100 0.038 0.000 0.784 633 G HN 0.411 nan 8.290 nan 0.000 0.538 634 Y N 1.535 121.727 120.300 -0.179 0.000 2.097 634 Y HA -0.177 4.373 4.550 0.001 0.000 0.282 634 Y C 2.783 178.574 175.900 -0.181 0.000 1.152 634 Y CA 1.842 59.781 58.100 -0.268 0.000 1.136 634 Y CB -0.542 37.599 38.460 -0.532 0.000 0.975 634 Y HN 0.027 nan 8.280 nan 0.000 0.498 635 V N -0.271 119.499 119.914 -0.240 0.000 2.343 635 V HA -0.342 3.779 4.120 0.001 0.000 0.247 635 V C 2.338 178.308 176.094 -0.207 0.000 1.051 635 V CA 2.444 64.597 62.300 -0.245 0.000 1.036 635 V CB -1.270 30.558 31.823 0.008 0.000 0.654 635 V HN 0.505 nan 8.190 nan 0.000 0.451 636 T N -0.098 114.391 114.554 -0.109 0.000 2.720 636 T HA -0.202 4.149 4.350 0.001 0.000 0.268 636 T C 2.135 176.771 174.700 -0.106 0.000 1.037 636 T CA 2.036 64.084 62.100 -0.085 0.000 1.144 636 T CB -0.257 68.639 68.868 0.048 0.000 0.864 636 T HN 0.534 nan 8.240 nan 0.000 0.444 637 S N 0.947 116.613 115.700 -0.056 0.000 2.368 637 S HA 0.021 4.491 4.470 0.001 0.000 0.224 637 S C 2.138 176.647 174.600 -0.152 0.000 1.029 637 S CA 0.858 59.057 58.200 -0.000 0.000 0.988 637 S CB -0.242 63.009 63.200 0.085 0.000 0.838 637 S HN 0.334 nan 8.310 nan 0.000 0.462 638 M N 1.002 120.416 119.600 -0.309 0.000 2.159 638 M HA -0.024 4.457 4.480 0.001 0.000 0.263 638 M C 2.197 178.326 176.300 -0.285 0.000 1.063 638 M CA 1.023 56.122 55.300 -0.335 0.000 1.110 638 M CB -1.378 30.912 32.600 -0.516 0.000 1.374 638 M HN 0.172 nan 8.290 nan 0.000 0.411 639 V N 0.744 120.480 119.914 -0.296 0.000 2.295 639 V HA -0.244 3.877 4.120 0.001 0.000 0.246 639 V C 2.490 178.367 176.094 -0.360 0.000 1.049 639 V CA 1.472 63.591 62.300 -0.300 0.000 1.024 639 V CB -0.619 30.958 31.823 -0.411 0.000 0.648 639 V HN 0.405 nan 8.190 nan 0.000 0.447 640 L N 0.306 121.242 121.223 -0.478 0.000 2.201 640 L HA -0.011 4.330 4.340 0.001 0.000 0.212 640 L C 2.232 178.488 176.870 -1.024 0.000 1.105 640 L CA 1.352 55.792 54.840 -0.667 0.000 0.775 640 L CB -0.681 40.944 42.059 -0.724 0.000 0.913 640 L HN 0.475 nan 8.230 nan 0.000 0.440 641 G N -1.266 106.981 108.800 -0.921 0.000 3.141 641 G HA2 -0.065 3.896 3.960 0.001 0.000 0.218 641 G HA3 -0.065 3.896 3.960 0.001 0.000 0.218 641 G C 1.512 176.249 174.900 -0.272 0.000 1.170 641 G CA 0.586 45.313 45.100 -0.623 0.000 0.769 641 G HN 0.429 nan 8.290 nan 0.000 0.546 642 S N -0.668 114.887 115.700 -0.242 0.000 2.496 642 S HA 0.289 4.760 4.470 0.001 0.000 0.224 642 S C 1.983 176.533 174.600 -0.084 0.000 0.996 642 S CA 1.040 59.165 58.200 -0.125 0.000 0.927 642 S CB -0.126 63.021 63.200 -0.090 0.000 0.774 642 S HN 1.350 nan 8.310 nan 0.000 0.524 643 G N 1.361 110.101 108.800 -0.101 0.000 2.148 643 G HA2 -0.352 3.608 3.960 0.001 0.000 0.254 643 G HA3 -0.352 3.608 3.960 0.001 0.000 0.254 643 G C 1.012 175.897 174.900 -0.025 0.000 0.981 643 G CA 0.998 46.064 45.100 -0.056 0.000 0.670 643 G HN 1.286 nan 8.290 nan 0.000 0.528 644 S N -0.485 115.211 115.700 -0.005 0.000 2.423 644 S HA 0.274 4.745 4.470 0.001 0.000 0.231 644 S C 2.613 177.216 174.600 0.005 0.000 1.014 644 S CA 1.787 59.997 58.200 0.017 0.000 0.965 644 S CB -0.343 62.899 63.200 0.070 0.000 0.785 644 S HN 2.436 nan 8.310 nan 0.000 0.495 645 G N -0.068 108.743 108.800 0.018 0.000 2.184 645 G HA2 -0.294 3.667 3.960 0.001 0.000 0.264 645 G HA3 -0.294 3.667 3.960 0.001 0.000 0.264 645 G C 0.785 175.667 174.900 -0.030 0.000 0.975 645 G CA 0.453 45.554 45.100 0.002 0.000 0.642 645 G HN 0.732 nan 8.290 nan 0.000 0.536 646 V N -0.540 119.331 119.914 -0.071 0.000 2.548 646 V HA 0.235 4.355 4.120 0.001 0.000 0.249 646 V C 1.186 177.025 176.094 -0.426 0.000 1.055 646 V CA 1.521 63.627 62.300 -0.324 0.000 1.065 646 V CB -0.364 31.123 31.823 -0.560 0.000 0.681 646 V HN 0.324 nan 8.190 nan 0.000 0.462 647 F N -0.220 119.742 119.950 0.020 0.000 2.436 647 F HA 0.403 4.931 4.527 0.001 0.000 0.340 647 F C 1.087 176.932 175.800 0.074 0.000 1.113 647 F CA -0.564 57.476 58.000 0.067 0.000 1.022 647 F CB 1.478 40.519 39.000 0.067 0.000 1.128 647 F HN -0.271 nan 8.300 nan 0.000 0.466 648 K N 1.659 122.218 120.400 0.265 0.000 2.116 648 K HA 0.058 4.378 4.320 0.001 0.000 0.203 648 K C -0.090 176.639 176.600 0.216 0.000 1.052 648 K CA 0.995 57.402 56.287 0.200 0.000 0.952 648 K CB 0.219 32.838 32.500 0.199 0.000 0.729 648 K HN 0.801 nan 8.250 nan 0.000 0.446 649 c N -2.868 115.899 118.600 0.278 0.000 3.311 649 c HA 0.882 5.452 4.570 0.001 0.000 0.325 649 c C -0.240 174.078 174.090 0.379 0.000 1.352 649 c CA -0.645 55.870 56.329 0.311 0.000 1.308 649 c CB 1.150 43.759 42.510 0.165 0.000 1.619 649 c HN 0.350 nan 8.230 nan 0.000 0.469 650 G N 0.123 109.211 108.800 0.480 0.000 2.646 650 G HA2 0.745 4.705 3.960 0.001 0.000 0.291 650 G HA3 0.745 4.705 3.960 0.001 0.000 0.291 650 G C -2.008 173.124 174.900 0.387 0.000 1.445 650 G CA -0.751 44.605 45.100 0.426 0.000 0.814 650 G HN 1.026 nan 8.290 nan 0.000 0.495 651 I N 0.694 121.456 120.570 0.319 0.000 2.447 651 I HA 0.597 4.767 4.170 0.001 0.000 0.287 651 I C 0.159 176.389 176.117 0.187 0.000 1.023 651 I CA -0.944 60.424 61.300 0.113 0.000 1.083 651 I CB 2.224 40.285 38.000 0.101 0.000 1.245 651 I HN 0.641 nan 8.210 nan 0.000 0.434 652 A N 6.564 129.387 122.820 0.005 0.000 2.271 652 A HA 0.782 5.103 4.320 0.001 0.000 0.317 652 A C -0.655 176.842 177.584 -0.144 0.000 1.245 652 A CA -0.504 51.545 52.037 0.020 0.000 0.857 652 A CB 1.017 20.082 19.000 0.109 0.000 1.175 652 A HN 0.451 nan 8.150 nan 0.000 0.512 653 V N 2.136 121.926 119.914 -0.207 0.000 2.417 653 V HA 0.568 4.688 4.120 0.001 0.000 0.291 653 V C 0.949 176.666 176.094 -0.628 0.000 1.024 653 V CA 0.272 62.229 62.300 -0.571 0.000 0.861 653 V CB 0.772 31.931 31.823 -1.105 0.000 0.985 653 V HN 2.064 nan 8.190 nan 0.000 0.436 654 A N 5.549 127.973 122.820 -0.660 0.000 2.511 654 A HA -0.106 4.215 4.320 0.001 0.000 0.297 654 A C -1.733 175.711 177.584 -0.233 0.000 1.476 654 A CA 0.411 51.977 52.037 -0.785 0.000 0.757 654 A CB -1.576 17.097 19.000 -0.544 0.000 1.072 654 A HN 0.626 nan 8.150 nan 0.000 0.413 655 P HA 0.392 nan 4.420 nan 0.000 0.278 655 P C 0.314 177.589 177.300 -0.043 0.000 1.238 655 P CA -0.144 62.940 63.100 -0.027 0.000 0.794 655 P CB 1.212 32.915 31.700 0.005 0.000 0.955 656 V N 2.628 122.417 119.914 -0.209 0.000 2.740 656 V HA 0.014 4.134 4.120 0.001 0.000 0.303 656 V C 1.766 177.672 176.094 -0.313 0.000 1.054 656 V CA 1.316 63.339 62.300 -0.461 0.000 1.106 656 V CB 0.508 31.652 31.823 -1.133 0.000 0.957 656 V HN 0.855 nan 8.190 nan 0.000 0.486 657 S N 3.560 119.091 115.700 -0.282 0.000 2.593 657 S HA 0.298 4.769 4.470 0.001 0.000 0.235 657 S C 0.487 174.917 174.600 -0.284 0.000 1.059 657 S CA -0.369 57.742 58.200 -0.149 0.000 0.953 657 S CB 0.359 63.534 63.200 -0.041 0.000 0.897 657 S HN 0.729 nan 8.310 nan 0.000 0.507 658 R N -0.794 119.401 120.500 -0.508 0.000 2.522 658 R HA 0.316 4.656 4.340 0.001 0.000 0.273 658 R C -1.118 174.856 176.300 -0.543 0.000 1.133 658 R CA -0.629 55.126 56.100 -0.576 0.000 0.969 658 R CB 0.325 30.125 30.300 -0.832 0.000 1.235 658 R HN 0.240 nan 8.270 nan 0.000 0.433 659 W N 2.070 123.281 121.300 -0.149 0.000 2.392 659 W HA -0.038 4.622 4.660 0.001 0.000 0.279 659 W C 1.299 177.957 176.519 0.231 0.000 1.225 659 W CA 0.695 58.042 57.345 0.003 0.000 1.233 659 W CB 0.352 29.717 29.460 -0.157 0.000 1.122 659 W HN 0.688 nan 8.180 nan 0.000 0.561 660 E N -0.853 119.546 120.200 0.330 0.000 2.401 660 E HA -0.200 4.151 4.350 0.001 0.000 0.199 660 E C 1.271 178.033 176.600 0.271 0.000 1.023 660 E CA 0.792 57.325 56.400 0.222 0.000 0.859 660 E CB -0.205 29.517 29.700 0.038 0.000 0.780 660 E HN 0.379 nan 8.360 nan 0.000 0.523 661 Y N -1.549 118.849 120.300 0.163 0.000 2.517 661 Y HA 0.052 4.603 4.550 0.001 0.000 0.281 661 Y C 0.739 176.753 175.900 0.190 0.000 1.125 661 Y CA -0.252 57.916 58.100 0.114 0.000 1.283 661 Y CB -0.414 38.055 38.460 0.015 0.000 1.042 661 Y HN 0.013 nan 8.280 nan 0.000 0.547 662 Y N 1.870 122.340 120.300 0.282 0.000 2.392 662 Y HA 0.291 4.842 4.550 0.001 0.000 0.323 662 Y C 0.312 176.440 175.900 0.379 0.000 1.291 662 Y CA -2.073 56.206 58.100 0.298 0.000 1.345 662 Y CB 0.376 39.047 38.460 0.351 0.000 1.320 662 Y HN 0.182 nan 8.280 nan 0.000 0.518 663 D N -0.677 119.449 120.400 -0.457 0.000 2.357 663 D HA 0.118 4.759 4.640 0.001 0.000 0.242 663 D C 0.882 177.157 176.300 -0.042 0.000 1.153 663 D CA 0.297 54.083 54.000 -0.357 0.000 0.918 663 D CB 0.982 41.321 40.800 -0.769 0.000 1.181 663 D HN 0.474 nan 8.370 nan 0.000 0.435 664 S N 1.104 116.790 115.700 -0.024 0.000 2.348 664 S HA -0.213 4.258 4.470 0.001 0.000 0.221 664 S C 1.931 176.559 174.600 0.045 0.000 1.033 664 S CA 1.156 59.397 58.200 0.069 0.000 1.010 664 S CB -1.008 62.239 63.200 0.079 0.000 0.891 664 S HN 0.431 nan 8.310 nan 0.000 0.442 665 V N 0.888 120.768 119.914 -0.057 0.000 2.287 665 V HA -0.176 3.945 4.120 0.001 0.000 0.248 665 V C 2.310 178.317 176.094 -0.144 0.000 1.053 665 V CA 2.218 64.389 62.300 -0.216 0.000 1.027 665 V CB -1.120 30.413 31.823 -0.484 0.000 0.646 665 V HN 0.583 nan 8.190 nan 0.000 0.447 666 Y N 1.366 121.605 120.300 -0.102 0.000 2.133 666 Y HA -0.237 4.313 4.550 0.001 0.000 0.287 666 Y C 2.745 178.647 175.900 0.004 0.000 1.134 666 Y CA 2.390 60.509 58.100 0.032 0.000 1.133 666 Y CB -0.558 38.116 38.460 0.357 0.000 0.987 666 Y HN 0.213 nan 8.280 nan 0.000 0.502 667 T N 0.284 115.041 114.554 0.338 0.000 2.708 667 T HA -0.191 4.159 4.350 0.001 0.000 0.266 667 T C 1.557 176.229 174.700 -0.047 0.000 1.037 667 T CA 1.909 64.142 62.100 0.223 0.000 1.146 667 T CB -0.307 68.845 68.868 0.472 0.000 0.865 667 T HN 0.430 nan 8.240 nan 0.000 0.435 668 E N 0.542 120.747 120.200 0.008 0.000 2.204 668 E HA -0.070 4.281 4.350 0.001 0.000 0.194 668 E C 2.342 178.821 176.600 -0.202 0.000 0.989 668 E CA 0.348 56.745 56.400 -0.005 0.000 0.824 668 E CB -0.096 29.646 29.700 0.071 0.000 0.756 668 E HN 0.325 nan 8.360 nan 0.000 0.477 669 R N 0.180 120.399 120.500 -0.467 0.000 2.091 669 R HA -0.199 4.141 4.340 0.001 0.000 0.238 669 R C 1.310 177.065 176.300 -0.908 0.000 1.136 669 R CA 1.635 57.259 56.100 -0.792 0.000 0.959 669 R CB -0.028 29.456 30.300 -1.360 0.000 0.856 669 R HN 0.249 nan 8.270 nan 0.000 0.437 670 Y N -1.914 118.042 120.300 -0.572 0.000 2.503 670 Y HA 0.183 4.733 4.550 0.001 0.000 0.277 670 Y C 1.823 177.518 175.900 -0.341 0.000 1.102 670 Y CA 0.181 57.933 58.100 -0.581 0.000 1.261 670 Y CB 0.364 38.346 38.460 -0.797 0.000 1.096 670 Y HN -0.035 nan 8.280 nan 0.000 0.546 671 M N -0.557 118.924 119.600 -0.197 0.000 2.308 671 M HA 0.348 4.828 4.480 0.001 0.000 0.269 671 M C 1.119 177.441 176.300 0.036 0.000 1.040 671 M CA 0.731 55.919 55.300 -0.186 0.000 1.024 671 M CB -0.291 31.997 32.600 -0.520 0.000 1.465 671 M HN 0.339 nan 8.290 nan 0.000 0.517 672 G N 2.049 110.881 108.800 0.053 0.000 2.601 672 G HA2 -0.261 3.700 3.960 0.001 0.000 0.261 672 G HA3 -0.261 3.700 3.960 0.001 0.000 0.261 672 G C -0.423 174.622 174.900 0.241 0.000 1.289 672 G CA -0.604 44.568 45.100 0.121 0.000 0.920 672 G HN 0.372 nan 8.290 nan 0.000 0.571 673 L N 1.804 123.129 121.223 0.169 0.000 2.325 673 L HA 0.455 4.796 4.340 0.001 0.000 0.279 673 L C -1.600 175.246 176.870 -0.040 0.000 1.054 673 L CA -1.879 53.002 54.840 0.069 0.000 0.804 673 L CB 2.113 44.182 42.059 0.017 0.000 1.200 673 L HN 0.417 nan 8.230 nan 0.000 0.436 674 P HA 0.082 nan 4.420 nan 0.000 0.220 674 P C -0.572 176.580 177.300 -0.246 0.000 1.806 674 P CA -0.135 62.561 63.100 -0.673 0.000 0.976 674 P CB -0.410 30.585 31.700 -1.174 0.000 1.952 675 T N -2.796 111.699 114.554 -0.099 0.000 2.908 675 T HA 0.482 4.833 4.350 0.001 0.000 0.290 675 T C -2.268 172.429 174.700 -0.005 0.000 1.034 675 T CA -2.562 59.510 62.100 -0.046 0.000 1.010 675 T CB 1.875 70.726 68.868 -0.029 0.000 1.068 675 T HN -0.295 nan 8.240 nan 0.000 0.481 676 P HA -0.098 nan 4.420 nan 0.000 0.216 676 P C 0.895 178.208 177.300 0.022 0.000 1.150 676 P CA 1.158 64.267 63.100 0.015 0.000 0.843 676 P CB 0.035 31.741 31.700 0.009 0.000 0.787 677 E N -1.458 118.751 120.200 0.015 0.000 2.347 677 E HA -0.088 4.262 4.350 0.001 0.000 0.196 677 E C 1.366 177.981 176.600 0.025 0.000 1.008 677 E CA 0.791 57.201 56.400 0.016 0.000 0.852 677 E CB -0.419 29.286 29.700 0.008 0.000 0.783 677 E HN 0.327 nan 8.360 nan 0.000 0.505 678 D N -0.498 119.922 120.400 0.035 0.000 2.970 678 D HA 0.067 4.707 4.640 0.001 0.000 0.236 678 D C 0.322 176.674 176.300 0.087 0.000 1.415 678 D CA 0.171 54.203 54.000 0.054 0.000 1.279 678 D CB 0.016 40.848 40.800 0.054 0.000 0.932 678 D HN -0.034 nan 8.370 nan 0.000 0.216 679 N N -0.179 118.605 118.700 0.139 0.000 2.299 679 N HA 0.093 4.833 4.740 0.001 0.000 0.246 679 N C 1.012 176.711 175.510 0.315 0.000 1.254 679 N CA -0.093 53.090 53.050 0.222 0.000 0.879 679 N CB 0.212 38.858 38.487 0.265 0.000 1.214 679 N HN 0.088 nan 8.380 nan 0.000 0.510 680 L N 0.593 121.921 121.223 0.175 0.000 2.043 680 L HA -0.141 4.200 4.340 0.001 0.000 0.212 680 L C 1.194 178.171 176.870 0.179 0.000 1.075 680 L CA 1.989 56.908 54.840 0.132 0.000 0.752 680 L CB -0.427 41.645 42.059 0.022 0.000 0.891 680 L HN 0.141 nan 8.230 nan 0.000 0.432 681 D N -1.648 118.839 120.400 0.144 0.000 2.123 681 D HA -0.246 4.395 4.640 0.001 0.000 0.196 681 D C 2.081 178.467 176.300 0.143 0.000 0.992 681 D CA 1.686 55.758 54.000 0.119 0.000 0.833 681 D CB -0.160 40.699 40.800 0.099 0.000 0.954 681 D HN 0.576 nan 8.370 nan 0.000 0.455 682 H N -0.965 118.170 119.070 0.110 0.000 2.428 682 H HA -0.048 4.508 4.556 0.001 0.000 0.296 682 H C 1.676 177.069 175.328 0.108 0.000 1.062 682 H CA 1.178 57.270 56.048 0.074 0.000 1.350 682 H CB -0.257 29.513 29.762 0.014 0.000 1.403 682 H HN 0.148 nan 8.280 nan 0.000 0.533 683 Y N 0.314 120.619 120.300 0.009 0.000 2.151 683 Y HA -0.226 4.325 4.550 0.001 0.000 0.284 683 Y C 2.408 178.274 175.900 -0.057 0.000 1.166 683 Y CA 1.565 59.671 58.100 0.011 0.000 1.163 683 Y CB 0.106 38.599 38.460 0.055 0.000 0.974 683 Y HN 0.141 nan 8.280 nan 0.000 0.511 684 R N 0.199 120.765 120.500 0.109 0.000 2.153 684 R HA -0.051 4.289 4.340 0.001 0.000 0.218 684 R C 1.013 177.296 176.300 -0.028 0.000 1.072 684 R CA 1.319 57.436 56.100 0.029 0.000 0.990 684 R CB -0.817 29.504 30.300 0.035 0.000 0.889 684 R HN 0.579 nan 8.270 nan 0.000 0.452 685 N N -0.495 118.162 118.700 -0.073 0.000 2.235 685 N HA -0.054 4.687 4.740 0.001 0.000 0.209 685 N C 0.244 175.675 175.510 -0.132 0.000 1.122 685 N CA 0.092 53.095 53.050 -0.079 0.000 0.845 685 N CB 0.382 38.852 38.487 -0.029 0.000 1.004 685 N HN -0.070 nan 8.380 nan 0.000 0.499 686 S N -1.443 114.137 115.700 -0.201 0.000 2.561 686 S HA 0.132 4.603 4.470 0.001 0.000 0.245 686 S C 0.369 174.998 174.600 0.049 0.000 1.001 686 S CA -0.561 57.579 58.200 -0.099 0.000 1.002 686 S CB -1.071 62.018 63.200 -0.185 0.000 0.805 686 S HN 0.337 nan 8.310 nan 0.000 0.458 687 T N -1.727 112.815 114.554 -0.020 0.000 2.922 687 T HA 0.526 4.877 4.350 0.001 0.000 0.285 687 T C 1.330 176.014 174.700 -0.027 0.000 1.005 687 T CA -0.662 61.416 62.100 -0.037 0.000 1.061 687 T CB 1.380 70.193 68.868 -0.092 0.000 1.007 687 T HN -0.043 nan 8.240 nan 0.000 0.502 688 V N 1.923 121.818 119.914 -0.031 0.000 2.358 688 V HA -0.148 3.973 4.120 0.001 0.000 0.246 688 V C 2.658 178.715 176.094 -0.061 0.000 1.047 688 V CA 1.740 64.011 62.300 -0.049 0.000 1.035 688 V CB -1.005 30.784 31.823 -0.057 0.000 0.658 688 V HN 0.822 nan 8.190 nan 0.000 0.452 689 M N 1.350 120.900 119.600 -0.083 0.000 2.144 689 M HA -0.190 4.291 4.480 0.001 0.000 0.260 689 M C 2.338 178.603 176.300 -0.059 0.000 1.067 689 M CA 2.285 57.531 55.300 -0.091 0.000 1.095 689 M CB -1.118 31.441 32.600 -0.068 0.000 1.365 689 M HN 0.560 nan 8.290 nan 0.000 0.406 690 S N -0.343 115.334 115.700 -0.038 0.000 2.474 690 S HA -0.073 4.398 4.470 0.001 0.000 0.235 690 S C 1.774 176.373 174.600 -0.002 0.000 0.997 690 S CA 0.668 58.856 58.200 -0.021 0.000 0.949 690 S CB -0.461 62.726 63.200 -0.021 0.000 0.766 690 S HN 0.550 nan 8.310 nan 0.000 0.517 691 R N 0.673 121.184 120.500 0.017 0.000 2.359 691 R HA 0.431 4.771 4.340 0.001 0.000 0.231 691 R C 2.202 178.596 176.300 0.156 0.000 0.913 691 R CA 0.426 56.565 56.100 0.064 0.000 1.075 691 R CB -0.309 30.029 30.300 0.063 0.000 1.087 691 R HN 0.493 nan 8.270 nan 0.000 0.515 692 A N 1.737 124.595 122.820 0.064 0.000 1.903 692 A HA -0.294 4.027 4.320 0.001 0.000 0.219 692 A C 2.043 179.702 177.584 0.126 0.000 1.191 692 A CA 1.918 53.959 52.037 0.007 0.000 0.638 692 A CB -0.310 18.628 19.000 -0.103 0.000 0.823 692 A HN 0.275 nan 8.150 nan 0.000 0.451 693 E N 0.424 120.674 120.200 0.082 0.000 2.130 693 E HA -0.201 4.149 4.350 0.001 0.000 0.196 693 E C 1.608 178.266 176.600 0.097 0.000 0.998 693 E CA 1.861 58.306 56.400 0.075 0.000 0.806 693 E CB -0.503 29.222 29.700 0.043 0.000 0.738 693 E HN 0.799 nan 8.360 nan 0.000 0.459 694 N N -1.245 117.512 118.700 0.095 0.000 2.550 694 N HA -0.067 4.674 4.740 0.001 0.000 0.186 694 N C 0.696 176.189 175.510 -0.028 0.000 1.110 694 N CA 0.157 53.215 53.050 0.013 0.000 0.912 694 N CB -0.086 38.364 38.487 -0.063 0.000 0.968 694 N HN 0.168 nan 8.380 nan 0.000 0.448 695 F N 1.098 121.001 119.950 -0.078 0.000 2.748 695 F HA 0.050 4.578 4.527 0.001 0.000 0.299 695 F C 2.174 177.975 175.800 0.001 0.000 1.154 695 F CA 0.427 58.378 58.000 -0.083 0.000 1.446 695 F CB 0.122 39.024 39.000 -0.163 0.000 1.112 695 F HN -0.069 nan 8.300 nan 0.000 0.584 696 K N 0.424 120.921 120.400 0.161 0.000 2.211 696 K HA -0.179 4.142 4.320 0.001 0.000 0.204 696 K C 1.314 177.976 176.600 0.104 0.000 1.047 696 K CA 1.244 57.607 56.287 0.128 0.000 0.935 696 K CB -0.013 32.542 32.500 0.091 0.000 0.728 696 K HN 0.340 nan 8.250 nan 0.000 0.452 697 Q N 0.494 120.336 119.800 0.071 0.000 2.204 697 Q HA 0.078 4.419 4.340 0.001 0.000 0.209 697 Q C -0.503 175.541 176.000 0.074 0.000 0.861 697 Q CA -0.200 55.640 55.803 0.062 0.000 0.971 697 Q CB 1.211 29.970 28.738 0.035 0.000 1.095 697 Q HN 0.136 nan 8.270 nan 0.000 0.486 698 V N -3.056 116.919 119.914 0.101 0.000 3.040 698 V HA 0.514 4.634 4.120 0.001 0.000 0.312 698 V C -0.935 175.303 176.094 0.240 0.000 1.115 698 V CA -1.164 61.219 62.300 0.139 0.000 0.998 698 V CB 2.329 34.189 31.823 0.062 0.000 1.042 698 V HN 0.022 nan 8.190 nan 0.000 0.433 699 E N 2.243 122.614 120.200 0.285 0.000 2.146 699 E HA 0.449 4.800 4.350 0.001 0.000 0.282 699 E C -1.802 175.178 176.600 0.632 0.000 0.989 699 E CA -0.350 56.296 56.400 0.411 0.000 0.799 699 E CB 1.720 31.597 29.700 0.294 0.000 1.088 699 E HN 0.708 nan 8.360 nan 0.000 0.397 700 Y N 3.263 123.826 120.300 0.438 0.000 2.425 700 Y HA 0.439 4.989 4.550 0.001 0.000 0.344 700 Y C -1.684 174.274 175.900 0.097 0.000 0.969 700 Y CA -1.515 56.771 58.100 0.310 0.000 1.052 700 Y CB 1.140 39.817 38.460 0.363 0.000 1.215 700 Y HN 0.421 nan 8.280 nan 0.000 0.451 701 L N 7.735 128.638 121.223 -0.534 0.000 2.319 701 L HA 0.609 4.949 4.340 0.001 0.000 0.281 701 L C -2.161 174.257 176.870 -0.753 0.000 1.005 701 L CA -0.792 53.606 54.840 -0.736 0.000 0.828 701 L CB 1.257 42.565 42.059 -1.252 0.000 1.227 701 L HN 0.637 nan 8.230 nan 0.000 0.415 702 L N 6.751 127.624 121.223 -0.583 0.000 2.313 702 L HA 0.709 5.049 4.340 0.001 0.000 0.283 702 L C -1.176 175.568 176.870 -0.210 0.000 1.013 702 L CA -0.056 54.488 54.840 -0.494 0.000 0.816 702 L CB 1.186 42.975 42.059 -0.451 0.000 1.236 702 L HN 0.582 nan 8.230 nan 0.000 0.419 703 I N 4.570 125.028 120.570 -0.186 0.000 2.582 703 I HA 0.458 4.629 4.170 0.001 0.000 0.292 703 I C -1.217 174.875 176.117 -0.042 0.000 1.066 703 I CA -0.706 60.537 61.300 -0.095 0.000 1.053 703 I CB 2.065 39.972 38.000 -0.155 0.000 1.241 703 I HN 0.689 nan 8.210 nan 0.000 0.421 704 H N 2.274 121.390 119.070 0.076 0.000 3.086 704 H HA 0.469 5.026 4.556 0.001 0.000 0.353 704 H C -0.340 175.230 175.328 0.404 0.000 1.134 704 H CA -0.564 55.582 56.048 0.164 0.000 1.248 704 H CB 2.053 31.825 29.762 0.017 0.000 1.878 704 H HN 0.759 nan 8.280 nan 0.000 0.527 705 G N 1.027 110.180 108.800 0.589 0.000 2.390 705 G HA2 0.201 4.162 3.960 0.001 0.000 0.270 705 G HA3 0.201 4.162 3.960 0.001 0.000 0.270 705 G C 1.170 176.378 174.900 0.513 0.000 1.211 705 G CA 0.147 45.557 45.100 0.517 0.000 0.842 705 G HN 0.755 nan 8.290 nan 0.000 0.519 706 T N -0.569 114.146 114.554 0.268 0.000 2.962 706 T HA 0.045 4.396 4.350 0.001 0.000 0.270 706 T C 1.721 176.428 174.700 0.012 0.000 1.088 706 T CA 1.353 63.434 62.100 -0.033 0.000 1.127 706 T CB 0.123 68.898 68.868 -0.155 0.000 0.883 706 T HN 0.696 nan 8.240 nan 0.000 0.493 707 A N 0.969 123.860 122.820 0.120 0.000 2.610 707 A HA 0.310 4.631 4.320 0.001 0.000 0.286 707 A C 0.429 178.000 177.584 -0.021 0.000 1.306 707 A CA -0.496 51.590 52.037 0.082 0.000 0.942 707 A CB -0.304 19.002 19.000 0.510 0.000 1.112 707 A HN 0.366 nan 8.150 nan 0.000 0.527 708 D N 1.710 122.121 120.400 0.018 0.000 2.348 708 D HA -0.027 4.614 4.640 0.001 0.000 0.259 708 D C 0.529 176.797 176.300 -0.054 0.000 1.296 708 D CA 0.178 54.274 54.000 0.161 0.000 0.931 708 D CB 0.548 41.605 40.800 0.428 0.000 1.067 708 D HN 0.590 nan 8.370 nan 0.000 0.503 709 D N 2.269 122.688 120.400 0.032 0.000 2.347 709 D HA -0.158 4.483 4.640 0.001 0.000 0.215 709 D C 0.928 177.235 176.300 0.012 0.000 0.976 709 D CA 0.066 54.057 54.000 -0.014 0.000 0.884 709 D CB 0.470 41.237 40.800 -0.055 0.000 0.915 709 D HN 0.225 nan 8.370 nan 0.000 0.526 710 N N 0.732 119.507 118.700 0.126 0.000 2.426 710 N HA -0.046 4.695 4.740 0.001 0.000 0.205 710 N C -0.088 175.366 175.510 -0.094 0.000 1.040 710 N CA 0.416 53.575 53.050 0.183 0.000 0.990 710 N CB 0.391 39.000 38.487 0.203 0.000 1.215 710 N HN -0.108 nan 8.380 nan 0.000 0.491 711 V N 4.012 123.865 119.914 -0.101 0.000 2.320 711 V HA 0.195 4.316 4.120 0.001 0.000 0.265 711 V C -0.470 175.656 176.094 0.054 0.000 1.048 711 V CA -0.637 61.646 62.300 -0.028 0.000 0.865 711 V CB -0.028 31.823 31.823 0.047 0.000 1.043 711 V HN 0.315 nan 8.190 nan 0.000 0.474 712 H N 3.508 122.563 119.070 -0.025 0.000 2.871 712 H HA 0.025 4.581 4.556 0.001 0.000 0.355 712 H C 0.869 176.043 175.328 -0.256 0.000 1.092 712 H CA -0.290 55.659 56.048 -0.165 0.000 1.420 712 H CB 0.608 30.195 29.762 -0.292 0.000 1.400 712 H HN 0.625 nan 8.280 nan 0.000 0.604 713 F N 1.891 121.632 119.950 -0.347 0.000 2.154 713 F HA -0.304 4.224 4.527 0.001 0.000 0.301 713 F C 2.622 178.147 175.800 -0.458 0.000 1.087 713 F CA 1.967 59.560 58.000 -0.677 0.000 1.274 713 F CB -0.067 38.730 39.000 -0.340 0.000 1.009 713 F HN 0.667 nan 8.300 nan 0.000 0.485 714 Q N 0.204 119.902 119.800 -0.169 0.000 2.188 714 Q HA -0.384 3.957 4.340 0.001 0.000 0.217 714 Q C 2.130 177.917 176.000 -0.355 0.000 1.018 714 Q CA 2.761 58.401 55.803 -0.270 0.000 0.910 714 Q CB -0.458 28.079 28.738 -0.335 0.000 0.979 714 Q HN 0.614 nan 8.270 nan 0.000 0.413 715 Q N -0.555 119.070 119.800 -0.291 0.000 2.061 715 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 715 Q C 2.281 178.186 176.000 -0.158 0.000 0.984 715 Q CA 1.782 57.529 55.803 -0.093 0.000 0.846 715 Q CB -0.146 28.605 28.738 0.021 0.000 0.902 715 Q HN 0.343 nan 8.270 nan 0.000 0.421 716 S N 0.599 116.091 115.700 -0.346 0.000 2.406 716 S HA -0.008 4.463 4.470 0.001 0.000 0.228 716 S C 2.021 176.376 174.600 -0.409 0.000 1.020 716 S CA 0.698 58.689 58.200 -0.348 0.000 0.965 716 S CB -0.079 62.888 63.200 -0.388 0.000 0.798 716 S HN 0.465 nan 8.310 nan 0.000 0.488 717 A N 1.401 123.903 122.820 -0.530 0.000 1.933 717 A HA -0.127 4.194 4.320 0.001 0.000 0.218 717 A C 2.123 179.620 177.584 -0.145 0.000 1.175 717 A CA 1.108 52.977 52.037 -0.281 0.000 0.628 717 A CB -0.386 18.525 19.000 -0.147 0.000 0.814 717 A HN 0.368 nan 8.150 nan 0.000 0.444 718 Q N -0.455 119.268 119.800 -0.129 0.000 2.172 718 Q HA -0.006 4.335 4.340 0.001 0.000 0.200 718 Q C 2.114 178.064 176.000 -0.083 0.000 0.964 718 Q CA 0.972 56.748 55.803 -0.046 0.000 0.855 718 Q CB -0.312 28.477 28.738 0.085 0.000 0.918 718 Q HN 0.784 nan 8.270 nan 0.000 0.444 719 I N 1.203 121.693 120.570 -0.133 0.000 2.142 719 I HA -0.291 3.880 4.170 0.001 0.000 0.240 719 I C 2.570 178.511 176.117 -0.293 0.000 1.078 719 I CA 1.544 62.714 61.300 -0.216 0.000 1.343 719 I CB -0.500 37.376 38.000 -0.206 0.000 1.046 719 I HN 0.182 nan 8.210 nan 0.000 0.405 720 S N 0.874 116.431 115.700 -0.238 0.000 2.368 720 S HA -0.278 4.192 4.470 0.001 0.000 0.225 720 S C 2.026 176.594 174.600 -0.054 0.000 1.030 720 S CA 1.494 59.587 58.200 -0.178 0.000 0.999 720 S CB -0.457 62.814 63.200 0.119 0.000 0.844 720 S HN 0.384 nan 8.310 nan 0.000 0.459 721 K N 1.725 122.099 120.400 -0.043 0.000 2.057 721 K HA 0.054 4.375 4.320 0.001 0.000 0.207 721 K C 2.325 178.904 176.600 -0.035 0.000 1.049 721 K CA 1.093 57.373 56.287 -0.011 0.000 0.931 721 K CB -0.695 31.799 32.500 -0.011 0.000 0.714 721 K HN 0.432 nan 8.250 nan 0.000 0.440 722 A N 1.143 123.911 122.820 -0.086 0.000 1.908 722 A HA -0.142 4.179 4.320 0.001 0.000 0.218 722 A C 2.099 179.613 177.584 -0.116 0.000 1.181 722 A CA 1.474 53.451 52.037 -0.100 0.000 0.627 722 A CB -0.653 18.266 19.000 -0.135 0.000 0.818 722 A HN 0.327 nan 8.150 nan 0.000 0.445 723 L N -0.727 120.377 121.223 -0.198 0.000 2.056 723 L HA -0.130 4.210 4.340 0.001 0.000 0.207 723 L C 2.512 179.399 176.870 0.029 0.000 1.078 723 L CA 0.869 55.605 54.840 -0.174 0.000 0.749 723 L CB -0.607 41.185 42.059 -0.445 0.000 0.901 723 L HN 0.231 nan 8.230 nan 0.000 0.433 724 V N -0.059 119.910 119.914 0.093 0.000 2.332 724 V HA -0.309 3.811 4.120 0.001 0.000 0.248 724 V C 2.062 178.193 176.094 0.061 0.000 1.055 724 V CA 1.978 64.352 62.300 0.123 0.000 1.038 724 V CB -0.521 31.374 31.823 0.120 0.000 0.651 724 V HN 0.431 nan 8.190 nan 0.000 0.450 725 D N 0.158 120.574 120.400 0.028 0.000 2.218 725 D HA -0.107 4.533 4.640 0.001 0.000 0.204 725 D C 1.801 178.113 176.300 0.019 0.000 0.976 725 D CA 1.662 55.672 54.000 0.018 0.000 0.853 725 D CB -0.100 40.702 40.800 0.003 0.000 0.939 725 D HN 0.560 nan 8.370 nan 0.000 0.481 726 V N -3.724 116.201 119.914 0.019 0.000 3.621 726 V HA 0.475 4.596 4.120 0.001 0.000 0.285 726 V C 1.224 177.346 176.094 0.046 0.000 1.346 726 V CA 0.329 62.645 62.300 0.027 0.000 1.104 726 V CB -0.122 31.713 31.823 0.020 0.000 0.913 726 V HN 0.141 nan 8.190 nan 0.000 0.432 727 G N 0.539 109.375 108.800 0.059 0.000 2.272 727 G HA2 -0.181 3.780 3.960 0.001 0.000 0.280 727 G HA3 -0.181 3.780 3.960 0.001 0.000 0.280 727 G C -0.117 174.842 174.900 0.098 0.000 1.067 727 G CA 0.246 45.390 45.100 0.073 0.000 0.902 727 G HN 0.855 nan 8.290 nan 0.000 0.500 728 V N 0.427 120.419 119.914 0.129 0.000 2.394 728 V HA 0.455 4.576 4.120 0.001 0.000 0.282 728 V C 0.446 176.710 176.094 0.284 0.000 1.031 728 V CA -0.550 61.856 62.300 0.177 0.000 0.881 728 V CB 1.751 33.667 31.823 0.156 0.000 0.982 728 V HN 0.455 nan 8.190 nan 0.000 0.451 729 D N 3.920 124.465 120.400 0.243 0.000 2.304 729 D HA 0.580 5.221 4.640 0.001 0.000 0.247 729 D C -0.517 176.012 176.300 0.382 0.000 1.089 729 D CA 0.220 54.353 54.000 0.221 0.000 0.910 729 D CB 0.750 41.619 40.800 0.114 0.000 1.199 729 D HN 0.377 nan 8.370 nan 0.000 0.426 730 F N -0.432 119.591 119.950 0.121 0.000 2.831 730 F HA 0.493 5.021 4.527 0.001 0.000 0.318 730 F C -1.535 174.316 175.800 0.086 0.000 1.174 730 F CA -1.168 56.924 58.000 0.154 0.000 0.918 730 F CB 0.857 39.980 39.000 0.206 0.000 1.364 730 F HN 0.047 nan 8.300 nan 0.000 0.475 731 Q N 1.411 121.276 119.800 0.108 0.000 2.274 731 Q HA 0.804 5.145 4.340 0.001 0.000 0.260 731 Q C -0.933 175.058 176.000 -0.015 0.000 0.974 731 Q CA -0.828 54.951 55.803 -0.040 0.000 0.876 731 Q CB 2.035 30.776 28.738 0.005 0.000 1.297 731 Q HN 1.020 nan 8.270 nan 0.000 0.446 732 A N 1.871 124.655 122.820 -0.060 0.000 2.498 732 A HA 0.858 5.179 4.320 0.001 0.000 0.298 732 A C -1.243 176.291 177.584 -0.084 0.000 1.075 732 A CA -0.600 51.439 52.037 0.003 0.000 0.714 732 A CB 1.839 20.901 19.000 0.103 0.000 1.299 732 A HN 0.621 nan 8.150 nan 0.000 0.407 733 M N 1.808 121.339 119.600 -0.114 0.000 2.238 733 M HA 0.576 5.057 4.480 0.001 0.000 0.278 733 M C -1.715 174.460 176.300 -0.208 0.000 1.040 733 M CA -0.614 54.472 55.300 -0.356 0.000 0.969 733 M CB 1.104 33.388 32.600 -0.526 0.000 1.694 733 M HN 0.872 nan 8.290 nan 0.000 0.472 734 W N 4.273 125.433 121.300 -0.234 0.000 2.448 734 W HA 0.743 5.404 4.660 0.001 0.000 0.339 734 W C -1.915 174.348 176.519 -0.427 0.000 1.124 734 W CA -0.756 56.528 57.345 -0.101 0.000 1.262 734 W CB 0.296 29.745 29.460 -0.018 0.000 1.251 734 W HN 0.617 nan 8.180 nan 0.000 0.597 735 Y N 2.346 122.761 120.300 0.192 0.000 2.388 735 Y HA 0.282 4.832 4.550 0.001 0.000 0.328 735 Y C 0.487 176.498 175.900 0.185 0.000 0.963 735 Y CA -1.020 57.115 58.100 0.060 0.000 1.240 735 Y CB 1.423 39.902 38.460 0.030 0.000 1.118 735 Y HN 0.404 nan 8.280 nan 0.000 0.484 736 T N 4.449 119.171 114.554 0.279 0.000 2.871 736 T HA -0.030 4.320 4.350 0.001 0.000 0.296 736 T C 0.185 174.960 174.700 0.126 0.000 0.998 736 T CA 0.608 62.826 62.100 0.196 0.000 1.162 736 T CB -0.100 68.825 68.868 0.094 0.000 0.947 736 T HN 0.721 nan 8.240 nan 0.000 0.536 737 D N 0.762 121.207 120.400 0.075 0.000 3.046 737 D HA -0.122 4.519 4.640 0.001 0.000 0.210 737 D C 0.258 176.676 176.300 0.196 0.000 1.124 737 D CA 1.120 55.085 54.000 -0.059 0.000 0.986 737 D CB -0.394 40.158 40.800 -0.412 0.000 1.118 737 D HN 0.546 nan 8.370 nan 0.000 0.416 738 E N 0.888 121.235 120.200 0.244 0.000 2.313 738 E HA 0.334 4.685 4.350 0.001 0.000 0.272 738 E C 0.785 177.580 176.600 0.325 0.000 1.038 738 E CA -0.267 56.302 56.400 0.282 0.000 0.863 738 E CB 1.186 31.042 29.700 0.259 0.000 1.060 738 E HN 0.349 nan 8.360 nan 0.000 0.402 739 D N -0.313 120.293 120.400 0.343 0.000 2.541 739 D HA -0.004 4.637 4.640 0.001 0.000 0.276 739 D C 1.078 177.628 176.300 0.416 0.000 1.190 739 D CA -0.142 54.086 54.000 0.379 0.000 1.095 739 D CB -0.222 40.827 40.800 0.415 0.000 1.173 739 D HN 0.389 nan 8.370 nan 0.000 0.604 740 H N -1.557 117.711 119.070 0.330 0.000 2.456 740 H HA 0.103 4.660 4.556 0.001 0.000 0.296 740 H C 1.893 177.489 175.328 0.446 0.000 1.079 740 H CA 2.079 58.344 56.048 0.362 0.000 1.322 740 H CB -0.392 29.566 29.762 0.327 0.000 1.388 740 H HN 0.495 nan 8.280 nan 0.000 0.538 741 G N -0.257 108.741 108.800 0.330 0.000 2.623 741 G HA2 -0.002 3.959 3.960 0.001 0.000 0.214 741 G HA3 -0.002 3.959 3.960 0.001 0.000 0.214 741 G C 0.622 175.724 174.900 0.337 0.000 1.138 741 G CA 0.288 45.506 45.100 0.197 0.000 0.794 741 G HN 0.511 nan 8.290 nan 0.000 0.535 742 I N 0.107 120.902 120.570 0.375 0.000 5.071 742 I HA -0.325 3.846 4.170 0.001 0.000 0.126 742 I C 1.443 177.708 176.117 0.245 0.000 1.290 742 I CA 0.176 61.646 61.300 0.283 0.000 2.644 742 I CB -1.221 36.912 38.000 0.222 0.000 2.208 742 I HN 0.263 nan 8.210 nan 0.000 0.322 743 A N 1.416 124.349 122.820 0.189 0.000 2.431 743 A HA 0.277 4.597 4.320 0.001 0.000 0.239 743 A C 1.157 178.795 177.584 0.089 0.000 1.230 743 A CA 0.564 52.676 52.037 0.125 0.000 0.928 743 A CB 0.239 19.284 19.000 0.076 0.000 1.006 743 A HN 0.653 nan 8.150 nan 0.000 0.520 744 S N 0.020 115.788 115.700 0.113 0.000 2.566 744 S HA 0.125 4.596 4.470 0.001 0.000 0.280 744 S C 1.262 175.916 174.600 0.090 0.000 1.343 744 S CA 0.410 58.667 58.200 0.095 0.000 1.036 744 S CB 1.008 64.273 63.200 0.108 0.000 0.866 744 S HN 0.656 nan 8.310 nan 0.000 0.526 745 S N 2.226 117.965 115.700 0.064 0.000 2.365 745 S HA -0.192 4.278 4.470 0.001 0.000 0.225 745 S C 2.052 176.712 174.600 0.100 0.000 1.039 745 S CA 2.240 60.479 58.200 0.066 0.000 1.033 745 S CB -1.657 61.564 63.200 0.034 0.000 0.887 745 S HN 1.063 nan 8.310 nan 0.000 0.447 746 T N -0.146 114.457 114.554 0.081 0.000 2.777 746 T HA 0.181 4.532 4.350 0.001 0.000 0.266 746 T C 2.047 176.801 174.700 0.090 0.000 1.040 746 T CA 1.306 63.456 62.100 0.082 0.000 1.141 746 T CB -1.061 67.846 68.868 0.065 0.000 0.868 746 T HN 0.501 nan 8.240 nan 0.000 0.444 747 A N 1.504 124.357 122.820 0.056 0.000 1.933 747 A HA -0.116 4.205 4.320 0.001 0.000 0.218 747 A C 2.201 179.733 177.584 -0.086 0.000 1.175 747 A CA 2.097 54.092 52.037 -0.069 0.000 0.628 747 A CB -1.253 17.673 19.000 -0.123 0.000 0.814 747 A HN 0.791 nan 8.150 nan 0.000 0.444 748 H N -0.245 118.813 119.070 -0.020 0.000 2.321 748 H HA -0.133 4.423 4.556 0.001 0.000 0.300 748 H C 2.118 177.525 175.328 0.131 0.000 1.087 748 H CA 2.298 58.396 56.048 0.084 0.000 1.319 748 H CB -0.196 29.618 29.762 0.087 0.000 1.379 748 H HN 0.581 nan 8.280 nan 0.000 0.501 749 Q N -0.881 118.934 119.800 0.025 0.000 2.084 749 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 749 Q C 2.230 178.225 176.000 -0.008 0.000 0.978 749 Q CA 1.395 57.178 55.803 -0.034 0.000 0.844 749 Q CB -0.223 28.531 28.738 0.027 0.000 0.898 749 Q HN 0.647 nan 8.270 nan 0.000 0.426 750 H N 0.725 119.771 119.070 -0.041 0.000 2.321 750 H HA -0.088 4.468 4.556 0.001 0.000 0.300 750 H C 2.088 177.411 175.328 -0.008 0.000 1.087 750 H CA 1.388 57.443 56.048 0.012 0.000 1.319 750 H CB -0.049 29.775 29.762 0.103 0.000 1.379 750 H HN 0.268 nan 8.280 nan 0.000 0.501 751 I N 0.181 120.715 120.570 -0.061 0.000 2.226 751 I HA -0.338 3.832 4.170 0.001 0.000 0.245 751 I C 1.782 177.661 176.117 -0.397 0.000 1.100 751 I CA 1.377 62.543 61.300 -0.224 0.000 1.374 751 I CB -0.239 37.447 38.000 -0.523 0.000 1.057 751 I HN 0.170 nan 8.210 nan 0.000 0.413 752 Y N 0.742 120.830 120.300 -0.354 0.000 2.314 752 Y HA -0.166 4.385 4.550 0.001 0.000 0.293 752 Y C 2.686 178.381 175.900 -0.342 0.000 1.129 752 Y CA 1.656 59.435 58.100 -0.536 0.000 1.201 752 Y CB -0.719 37.427 38.460 -0.524 0.000 0.999 752 Y HN 0.144 nan 8.280 nan 0.000 0.541 753 T N -1.608 112.868 114.554 -0.129 0.000 2.737 753 T HA -0.230 4.120 4.350 0.001 0.000 0.265 753 T C 1.558 176.142 174.700 -0.193 0.000 1.038 753 T CA 1.924 63.912 62.100 -0.188 0.000 1.144 753 T CB -0.437 68.329 68.868 -0.171 0.000 0.866 753 T HN 0.401 nan 8.240 nan 0.000 0.434 754 H N 0.834 119.787 119.070 -0.195 0.000 2.357 754 H HA 0.136 4.693 4.556 0.001 0.000 0.301 754 H C 2.189 177.510 175.328 -0.011 0.000 1.082 754 H CA 1.477 57.489 56.048 -0.060 0.000 1.342 754 H CB -0.250 29.461 29.762 -0.084 0.000 1.389 754 H HN 0.238 nan 8.280 nan 0.000 0.511 755 M N -0.755 118.788 119.600 -0.095 0.000 2.159 755 M HA -0.165 4.316 4.480 0.001 0.000 0.263 755 M C 2.371 178.783 176.300 0.187 0.000 1.063 755 M CA 1.519 56.761 55.300 -0.097 0.000 1.110 755 M CB -0.021 32.263 32.600 -0.527 0.000 1.374 755 M HN 0.215 nan 8.290 nan 0.000 0.411 756 S N -0.630 115.197 115.700 0.212 0.000 2.356 756 S HA -0.148 4.322 4.470 0.001 0.000 0.223 756 S C 1.679 176.371 174.600 0.153 0.000 1.032 756 S CA 0.982 59.395 58.200 0.356 0.000 1.005 756 S CB -0.602 62.808 63.200 0.349 0.000 0.867 756 S HN 0.462 nan 8.310 nan 0.000 0.449 757 H N 0.099 119.230 119.070 0.101 0.000 2.319 757 H HA -0.086 4.470 4.556 0.001 0.000 0.297 757 H C 1.987 177.315 175.328 0.001 0.000 1.097 757 H CA 1.495 57.554 56.048 0.020 0.000 1.285 757 H CB -0.808 28.917 29.762 -0.063 0.000 1.368 757 H HN 0.455 nan 8.280 nan 0.000 0.495 758 F N 1.246 121.183 119.950 -0.021 0.000 2.102 758 F HA -0.178 4.349 4.527 0.001 0.000 0.298 758 F C 2.354 178.105 175.800 -0.081 0.000 1.105 758 F CA 0.917 58.872 58.000 -0.075 0.000 1.239 758 F CB -0.302 38.630 39.000 -0.114 0.000 0.991 758 F HN -0.044 nan 8.300 nan 0.000 0.474 759 I N 0.693 121.262 120.570 -0.002 0.000 2.179 759 I HA -0.286 3.884 4.170 0.001 0.000 0.242 759 I C 2.248 178.148 176.117 -0.361 0.000 1.088 759 I CA 1.554 62.684 61.300 -0.283 0.000 1.357 759 I CB -1.334 36.585 38.000 -0.136 0.000 1.051 759 I HN 0.225 nan 8.210 nan 0.000 0.409 760 K N 0.266 120.609 120.400 -0.096 0.000 2.057 760 K HA -0.231 4.090 4.320 0.001 0.000 0.207 760 K C 2.133 178.715 176.600 -0.030 0.000 1.049 760 K CA 1.212 57.499 56.287 -0.001 0.000 0.931 760 K CB -0.295 32.258 32.500 0.088 0.000 0.714 760 K HN 0.317 nan 8.250 nan 0.000 0.440 761 Q N 1.481 121.228 119.800 -0.088 0.000 2.045 761 Q HA -0.252 4.089 4.340 0.001 0.000 0.206 761 Q C 2.300 178.202 176.000 -0.164 0.000 0.991 761 Q CA 2.094 57.827 55.803 -0.117 0.000 0.851 761 Q CB -0.866 27.778 28.738 -0.157 0.000 0.911 761 Q HN 0.432 nan 8.270 nan 0.000 0.418 762 c N 0.249 118.641 118.600 -0.347 0.000 2.401 762 c HA -0.140 4.431 4.570 0.001 0.000 0.276 762 c C 2.286 176.382 174.090 0.009 0.000 1.233 762 c CA 0.761 56.900 56.329 -0.317 0.000 1.753 762 c CB -1.430 40.717 42.510 -0.606 0.000 2.029 762 c HN 0.570 nan 8.230 nan 0.000 0.478 763 F N 1.593 121.504 119.950 -0.064 0.000 2.732 763 F HA 0.242 4.770 4.527 0.001 0.000 0.303 763 F C 1.644 177.430 175.800 -0.024 0.000 1.110 763 F CA 0.437 58.420 58.000 -0.028 0.000 1.355 763 F CB -1.195 37.797 39.000 -0.013 0.000 1.081 763 F HN 0.241 nan 8.300 nan 0.000 0.565 764 S N 0.757 116.540 115.700 0.138 0.000 3.641 764 S HA -0.206 4.264 4.470 0.001 0.000 0.346 764 S C 0.017 174.661 174.600 0.073 0.000 1.074 764 S CA 0.111 58.355 58.200 0.073 0.000 1.026 764 S CB -2.192 61.039 63.200 0.053 0.000 0.908 764 S HN 0.246 nan 8.310 nan 0.000 0.479 765 L N 2.000 123.279 121.223 0.094 0.000 2.275 765 L HA 0.461 4.801 4.340 0.001 0.000 0.288 765 L C -1.018 175.895 176.870 0.072 0.000 1.046 765 L CA -1.955 52.937 54.840 0.087 0.000 0.805 765 L CB 0.475 42.605 42.059 0.117 0.000 1.193 765 L HN 0.067 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.728 31.700 0.047 0.000 0.726