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 2qky_1_C 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 0.000 174.736 174.700 0.061 0.000 1.109 39 T CA 0.000 62.127 62.100 0.046 0.000 1.349 39 T CB 0.000 68.891 68.868 0.039 0.000 0.612 40 R N 1.587 122.133 120.500 0.076 0.000 2.784 40 R HA 0.376 4.717 4.340 0.001 0.000 0.266 40 R C 0.731 177.087 176.300 0.092 0.000 1.044 40 R CA -0.492 55.657 56.100 0.082 0.000 1.151 40 R CB 0.326 30.676 30.300 0.084 0.000 1.037 40 R HN 0.682 nan 8.270 nan 0.000 0.478 41 K N -0.142 120.315 120.400 0.095 0.000 2.136 41 K HA 0.171 4.491 4.320 0.001 0.000 0.237 41 K C -0.093 176.582 176.600 0.124 0.000 1.048 41 K CA -0.466 55.885 56.287 0.106 0.000 0.880 41 K CB 0.580 33.148 32.500 0.114 0.000 1.105 41 K HN 0.695 nan 8.250 nan 0.000 0.507 42 T N -2.953 111.687 114.554 0.143 0.000 2.887 42 T HA 0.207 4.558 4.350 0.001 0.000 0.292 42 T C -1.022 173.816 174.700 0.230 0.000 1.087 42 T CA -0.868 61.339 62.100 0.177 0.000 1.009 42 T CB 0.570 69.545 68.868 0.179 0.000 1.203 42 T HN 0.485 nan 8.240 nan 0.000 0.518 43 Y N 3.047 123.431 120.300 0.139 0.000 2.713 43 Y HA 0.314 4.865 4.550 0.001 0.000 0.341 43 Y C 1.270 177.317 175.900 0.245 0.000 1.167 43 Y CA 0.367 58.582 58.100 0.192 0.000 1.503 43 Y CB -0.200 38.351 38.460 0.152 0.000 1.199 43 Y HN 0.940 nan 8.280 nan 0.000 0.525 44 T N 2.422 117.001 114.554 0.041 0.000 2.918 44 T HA 0.153 4.504 4.350 0.001 0.000 0.283 44 T C 0.970 175.578 174.700 -0.152 0.000 1.001 44 T CA -0.923 61.186 62.100 0.015 0.000 1.041 44 T CB 1.334 70.183 68.868 -0.033 0.000 1.028 44 T HN 0.648 nan 8.240 nan 0.000 0.511 45 L N 1.509 122.437 121.223 -0.492 0.000 2.187 45 L HA 0.013 4.354 4.340 0.001 0.000 0.213 45 L C 2.480 179.226 176.870 -0.206 0.000 1.100 45 L CA 1.962 56.462 54.840 -0.567 0.000 0.765 45 L CB -1.311 40.192 42.059 -0.926 0.000 0.904 45 L HN 0.961 nan 8.230 nan 0.000 0.437 46 T N -0.667 113.770 114.554 -0.196 0.000 2.737 46 T HA -0.140 4.211 4.350 0.001 0.000 0.265 46 T C 1.372 175.977 174.700 -0.158 0.000 1.038 46 T CA 1.421 63.431 62.100 -0.151 0.000 1.144 46 T CB -0.305 68.490 68.868 -0.121 0.000 0.866 46 T HN 0.364 nan 8.240 nan 0.000 0.434 47 D N 0.066 120.343 120.400 -0.205 0.000 2.271 47 D HA -0.099 4.542 4.640 0.001 0.000 0.207 47 D C 1.468 177.648 176.300 -0.199 0.000 0.983 47 D CA 0.877 54.700 54.000 -0.295 0.000 0.878 47 D CB -0.157 40.369 40.800 -0.457 0.000 0.920 47 D HN 0.482 nan 8.370 nan 0.000 0.479 48 Y N 0.568 120.745 120.300 -0.206 0.000 2.266 48 Y HA 0.147 4.698 4.550 0.001 0.000 0.294 48 Y C 1.883 177.795 175.900 0.020 0.000 1.127 48 Y CA 0.595 58.716 58.100 0.035 0.000 1.140 48 Y CB -0.628 37.954 38.460 0.203 0.000 1.071 48 Y HN -0.152 nan 8.280 nan 0.000 0.525 49 L N 0.653 121.637 121.223 -0.398 0.000 2.353 49 L HA -0.116 4.224 4.340 0.001 0.000 0.220 49 L C 0.787 177.527 176.870 -0.216 0.000 1.133 49 L CA 1.254 55.828 54.840 -0.443 0.000 0.798 49 L CB -0.205 41.680 42.059 -0.290 0.000 0.922 49 L HN 0.097 nan 8.230 nan 0.000 0.445 50 K N -0.202 120.104 120.400 -0.155 0.000 2.826 50 K HA 0.186 4.507 4.320 0.001 0.000 0.206 50 K C -0.205 176.341 176.600 -0.091 0.000 1.116 50 K CA -0.259 55.962 56.287 -0.110 0.000 1.045 50 K CB 0.252 32.687 32.500 -0.109 0.000 0.758 50 K HN 0.085 nan 8.250 nan 0.000 0.465 51 N N 2.117 120.788 118.700 -0.049 0.000 2.704 51 N HA -0.192 4.548 4.740 0.001 0.000 0.259 51 N C 0.790 176.261 175.510 -0.064 0.000 0.957 51 N CA 1.413 54.465 53.050 0.004 0.000 0.804 51 N CB -0.821 37.672 38.487 0.009 0.000 0.917 51 N HN 0.470 nan 8.380 nan 0.000 0.545 52 T N -4.192 110.253 114.554 -0.181 0.000 3.035 52 T HA -0.111 4.240 4.350 0.001 0.000 0.268 52 T C 0.367 174.746 174.700 -0.535 0.000 1.109 52 T CA 0.964 62.821 62.100 -0.405 0.000 1.119 52 T CB -0.067 68.439 68.868 -0.603 0.000 0.900 52 T HN 0.310 nan 8.240 nan 0.000 0.503 53 Y N 1.234 121.580 120.300 0.077 0.000 2.363 53 Y HA 0.576 5.127 4.550 0.001 0.000 0.325 53 Y C 0.041 176.034 175.900 0.154 0.000 0.984 53 Y CA -1.553 56.628 58.100 0.135 0.000 1.248 53 Y CB 1.223 39.814 38.460 0.218 0.000 1.116 53 Y HN -0.080 nan 8.280 nan 0.000 0.470 54 R N 2.969 123.608 120.500 0.232 0.000 2.255 54 R HA 0.507 4.847 4.340 0.001 0.000 0.326 54 R C -1.170 175.243 176.300 0.188 0.000 0.986 54 R CA -0.992 55.216 56.100 0.179 0.000 0.847 54 R CB 1.029 31.392 30.300 0.105 0.000 1.111 54 R HN 0.423 nan 8.270 nan 0.000 0.452 55 L N 3.145 124.487 121.223 0.199 0.000 2.453 55 L HA 0.137 4.478 4.340 0.001 0.000 0.272 55 L C 0.631 177.600 176.870 0.166 0.000 1.182 55 L CA 0.638 55.603 54.840 0.209 0.000 0.858 55 L CB 0.076 42.272 42.059 0.229 0.000 1.120 55 L HN 0.381 nan 8.230 nan 0.000 0.474 56 K N 2.125 122.620 120.400 0.160 0.000 2.118 56 K HA 0.628 4.948 4.320 0.001 0.000 0.264 56 K C -0.844 175.807 176.600 0.085 0.000 1.000 56 K CA -0.686 55.660 56.287 0.098 0.000 0.929 56 K CB 1.042 33.586 32.500 0.073 0.000 1.021 56 K HN 0.199 nan 8.250 nan 0.000 0.463 57 L N 1.031 122.222 121.223 -0.053 0.000 2.235 57 L HA 0.383 4.724 4.340 0.001 0.000 0.260 57 L C -0.760 175.848 176.870 -0.436 0.000 1.025 57 L CA -0.435 54.263 54.840 -0.236 0.000 0.836 57 L CB 0.699 42.750 42.059 -0.013 0.000 1.395 57 L HN 0.594 nan 8.230 nan 0.000 0.443 58 Y N -0.255 119.617 120.300 -0.713 0.000 2.685 58 Y HA 0.381 4.931 4.550 0.001 0.000 0.284 58 Y C -0.054 175.787 175.900 -0.098 0.000 0.944 58 Y CA -0.352 57.539 58.100 -0.347 0.000 1.107 58 Y CB 0.826 38.875 38.460 -0.684 0.000 1.188 58 Y HN 0.538 nan 8.280 nan 0.000 0.635 59 S N 2.691 118.409 115.700 0.030 0.000 2.546 59 S HA 0.287 4.757 4.470 0.001 0.000 0.290 59 S C -0.386 174.245 174.600 0.051 0.000 1.290 59 S CA 0.177 58.399 58.200 0.037 0.000 1.069 59 S CB -0.056 63.132 63.200 -0.019 0.000 0.846 59 S HN 0.524 nan 8.310 nan 0.000 0.495 60 L N 1.989 123.200 121.223 -0.020 0.000 2.303 60 L HA 0.811 5.152 4.340 0.001 0.000 0.256 60 L C -0.602 176.178 176.870 -0.151 0.000 1.034 60 L CA -0.952 53.817 54.840 -0.118 0.000 0.832 60 L CB 1.438 43.128 42.059 -0.615 0.000 1.403 60 L HN 0.411 nan 8.230 nan 0.000 0.419 61 R N 0.442 120.888 120.500 -0.089 0.000 2.468 61 R HA 0.361 4.702 4.340 0.001 0.000 0.302 61 R C -1.794 174.527 176.300 0.034 0.000 1.041 61 R CA -0.267 55.819 56.100 -0.023 0.000 0.899 61 R CB 1.182 31.510 30.300 0.047 0.000 1.167 61 R HN 0.696 nan 8.270 nan 0.000 0.483 62 W N 4.548 125.962 121.300 0.190 0.000 2.322 62 W HA 0.076 4.736 4.660 0.001 0.000 0.328 62 W C 1.579 178.176 176.519 0.130 0.000 1.395 62 W CA -0.297 57.164 57.345 0.195 0.000 1.267 62 W CB 0.477 30.048 29.460 0.185 0.000 1.259 62 W HN 0.659 nan 8.180 nan 0.000 0.560 63 I N 0.104 120.885 120.570 0.352 0.000 4.403 63 I HA 0.293 4.464 4.170 0.001 0.000 0.331 63 I C 0.608 176.821 176.117 0.160 0.000 1.327 63 I CA -0.091 61.317 61.300 0.180 0.000 1.175 63 I CB 0.093 38.130 38.000 0.062 0.000 1.165 63 I HN 0.252 nan 8.210 nan 0.000 0.413 64 S N -0.520 115.303 115.700 0.206 0.000 2.843 64 S HA 0.355 4.826 4.470 0.001 0.000 0.301 64 S C -0.194 174.537 174.600 0.219 0.000 1.206 64 S CA -0.276 58.017 58.200 0.154 0.000 0.875 64 S CB 1.433 64.634 63.200 0.001 0.000 1.248 64 S HN 0.033 nan 8.310 nan 0.000 0.555 65 D N 0.131 120.696 120.400 0.275 0.000 2.340 65 D HA 0.164 4.805 4.640 0.001 0.000 0.220 65 D C 0.898 177.436 176.300 0.396 0.000 1.039 65 D CA 0.819 54.966 54.000 0.246 0.000 0.866 65 D CB -0.003 40.915 40.800 0.198 0.000 0.913 65 D HN 0.667 nan 8.370 nan 0.000 0.523 66 H N -2.382 116.871 119.070 0.306 0.000 3.566 66 H HA 0.389 4.945 4.556 0.001 0.000 0.259 66 H C -0.447 175.095 175.328 0.358 0.000 1.184 66 H CA -0.305 55.988 56.048 0.409 0.000 1.107 66 H CB -0.029 29.929 29.762 0.326 0.000 1.726 66 H HN 0.003 nan 8.280 nan 0.000 0.743 67 E N 1.046 121.313 120.200 0.112 0.000 2.340 67 E HA 0.421 4.771 4.350 0.001 0.000 0.273 67 E C -1.604 175.116 176.600 0.200 0.000 0.891 67 E CA -1.210 55.208 56.400 0.030 0.000 0.757 67 E CB 3.014 32.596 29.700 -0.198 0.000 1.231 67 E HN 0.258 nan 8.360 nan 0.000 0.439 68 Y N -0.596 119.729 120.300 0.041 0.000 2.553 68 Y HA 0.579 5.129 4.550 0.001 0.000 0.347 68 Y C -1.602 174.323 175.900 0.042 0.000 1.019 68 Y CA -1.431 56.613 58.100 -0.093 0.000 1.032 68 Y CB 0.893 39.018 38.460 -0.559 0.000 1.284 68 Y HN 0.353 nan 8.280 nan 0.000 0.466 69 L N 4.282 125.668 121.223 0.271 0.000 2.257 69 L HA 0.335 4.676 4.340 0.001 0.000 0.290 69 L C -1.263 175.829 176.870 0.371 0.000 1.044 69 L CA -0.732 54.237 54.840 0.214 0.000 0.810 69 L CB 0.767 42.818 42.059 -0.014 0.000 1.193 69 L HN 0.753 nan 8.230 nan 0.000 0.425 70 Y N 4.241 124.741 120.300 0.334 0.000 2.328 70 Y HA 0.246 4.796 4.550 0.001 0.000 0.337 70 Y C 0.132 176.093 175.900 0.102 0.000 0.966 70 Y CA -0.885 57.347 58.100 0.219 0.000 1.136 70 Y CB 1.164 39.863 38.460 0.398 0.000 1.170 70 Y HN 0.403 nan 8.280 nan 0.000 0.470 71 K N 5.794 125.907 120.400 -0.478 0.000 2.336 71 K HA 0.079 4.399 4.320 0.001 0.000 0.290 71 K C -0.722 175.562 176.600 -0.527 0.000 1.067 71 K CA 0.087 56.151 56.287 -0.372 0.000 0.962 71 K CB 0.278 32.632 32.500 -0.243 0.000 1.008 71 K HN 0.742 nan 8.250 nan 0.000 0.467 72 Q N 4.044 123.712 119.800 -0.219 0.000 2.347 72 Q HA 0.078 4.418 4.340 0.001 0.000 0.265 72 Q C -1.285 174.683 176.000 -0.053 0.000 1.024 72 Q CA -0.253 55.488 55.803 -0.103 0.000 0.731 72 Q CB 0.947 29.760 28.738 0.126 0.000 1.245 72 Q HN 0.639 nan 8.270 nan 0.000 0.472 73 E N 3.268 123.430 120.200 -0.065 0.000 2.302 73 E HA -0.285 4.066 4.350 0.001 0.000 0.186 73 E C -0.367 176.201 176.600 -0.054 0.000 1.444 73 E CA 0.238 56.611 56.400 -0.046 0.000 0.671 73 E CB -1.027 28.660 29.700 -0.022 0.000 1.122 73 E HN 0.847 nan 8.360 nan 0.000 0.366 74 N N -0.401 118.258 118.700 -0.068 0.000 2.588 74 N HA -0.226 4.515 4.740 0.001 0.000 0.245 74 N C -0.553 174.915 175.510 -0.069 0.000 1.211 74 N CA 1.330 54.340 53.050 -0.066 0.000 0.760 74 N CB -0.663 37.796 38.487 -0.048 0.000 1.160 74 N HN 0.492 nan 8.380 nan 0.000 0.569 75 N N 0.461 119.122 118.700 -0.066 0.000 2.421 75 N HA 0.342 5.083 4.740 0.001 0.000 0.285 75 N C 0.031 175.507 175.510 -0.056 0.000 1.027 75 N CA -0.340 52.675 53.050 -0.057 0.000 0.918 75 N CB 1.229 39.691 38.487 -0.041 0.000 1.152 75 N HN 0.096 nan 8.380 nan 0.000 0.485 76 I N 3.643 124.186 120.570 -0.045 0.000 2.315 76 I HA 0.262 4.432 4.170 0.001 0.000 0.291 76 I C 0.160 176.309 176.117 0.055 0.000 1.006 76 I CA -0.405 60.883 61.300 -0.019 0.000 1.265 76 I CB 0.845 38.804 38.000 -0.069 0.000 1.387 76 I HN 0.234 nan 8.210 nan 0.000 0.475 77 L N 6.663 127.916 121.223 0.050 0.000 2.352 77 L HA 0.608 4.948 4.340 0.001 0.000 0.269 77 L C -0.317 176.543 176.870 -0.017 0.000 1.034 77 L CA -0.925 53.897 54.840 -0.030 0.000 0.806 77 L CB 2.154 44.127 42.059 -0.144 0.000 1.244 77 L HN 0.282 nan 8.230 nan 0.000 0.447 78 V N 1.421 121.254 119.914 -0.135 0.000 2.628 78 V HA 0.523 4.644 4.120 0.001 0.000 0.306 78 V C -1.014 174.848 176.094 -0.386 0.000 1.045 78 V CA -0.296 61.946 62.300 -0.097 0.000 0.905 78 V CB 1.908 33.779 31.823 0.080 0.000 0.997 78 V HN 0.421 nan 8.190 nan 0.000 0.436 79 F N 4.256 123.979 119.950 -0.379 0.000 2.538 79 F HA 0.493 5.021 4.527 0.001 0.000 0.325 79 F C 0.463 176.006 175.800 -0.428 0.000 1.066 79 F CA -0.607 57.074 58.000 -0.532 0.000 0.946 79 F CB 1.783 40.088 39.000 -1.157 0.000 1.199 79 F HN 0.467 nan 8.300 nan 0.000 0.473 80 N N 2.109 120.798 118.700 -0.018 0.000 2.589 80 N HA 0.247 4.988 4.740 0.001 0.000 0.232 80 N C 0.594 176.065 175.510 -0.065 0.000 1.015 80 N CA 0.145 53.206 53.050 0.019 0.000 0.931 80 N CB 1.423 39.991 38.487 0.135 0.000 1.150 80 N HN 0.820 nan 8.380 nan 0.000 0.512 81 A N 3.625 126.335 122.820 -0.182 0.000 1.909 81 A HA -0.302 4.019 4.320 0.001 0.000 0.221 81 A C 1.940 179.200 177.584 -0.540 0.000 1.223 81 A CA 2.212 53.979 52.037 -0.451 0.000 0.658 81 A CB -0.716 17.710 19.000 -0.957 0.000 0.831 81 A HN 0.803 nan 8.150 nan 0.000 0.462 82 E N -1.017 118.912 120.200 -0.451 0.000 2.013 82 E HA -0.215 4.135 4.350 0.001 0.000 0.202 82 E C 1.771 178.047 176.600 -0.540 0.000 1.018 82 E CA 2.301 58.438 56.400 -0.438 0.000 0.834 82 E CB -0.548 28.765 29.700 -0.645 0.000 0.770 82 E HN 0.737 nan 8.360 nan 0.000 0.459 83 Y N -1.652 118.660 120.300 0.020 0.000 2.347 83 Y HA 0.254 4.805 4.550 0.001 0.000 0.294 83 Y C 1.837 177.742 175.900 0.009 0.000 1.117 83 Y CA 0.457 58.567 58.100 0.016 0.000 1.184 83 Y CB 0.314 38.789 38.460 0.027 0.000 1.047 83 Y HN 0.331 nan 8.280 nan 0.000 0.546 84 G N 0.630 109.494 108.800 0.108 0.000 2.159 84 G HA2 -0.280 3.680 3.960 0.001 0.000 0.227 84 G HA3 -0.280 3.680 3.960 0.001 0.000 0.227 84 G C -0.190 174.851 174.900 0.236 0.000 0.986 84 G CA -0.002 45.176 45.100 0.129 0.000 0.651 84 G HN 0.455 nan 8.290 nan 0.000 0.523 85 N N 0.650 119.456 118.700 0.177 0.000 2.444 85 N HA 0.529 5.270 4.740 0.001 0.000 0.255 85 N C 0.155 175.661 175.510 -0.007 0.000 1.255 85 N CA 0.729 53.837 53.050 0.097 0.000 0.933 85 N CB 1.338 39.859 38.487 0.057 0.000 1.143 85 N HN 0.810 nan 8.380 nan 0.000 0.453 86 S N -0.421 115.173 115.700 -0.177 0.000 2.671 86 S HA 0.786 5.257 4.470 0.001 0.000 0.299 86 S C -0.645 173.758 174.600 -0.329 0.000 1.116 86 S CA -0.797 57.072 58.200 -0.551 0.000 0.912 86 S CB 1.659 64.196 63.200 -1.105 0.000 1.130 86 S HN 0.681 nan 8.310 nan 0.000 0.501 87 S N -0.515 114.980 115.700 -0.341 0.000 2.794 87 S HA 0.672 5.142 4.470 0.001 0.000 0.299 87 S C -1.258 173.247 174.600 -0.158 0.000 1.179 87 S CA -0.735 57.352 58.200 -0.188 0.000 0.838 87 S CB 1.386 64.509 63.200 -0.128 0.000 1.206 87 S HN 0.690 nan 8.310 nan 0.000 0.523 88 V N 2.307 122.157 119.914 -0.106 0.000 2.370 88 V HA 0.347 4.468 4.120 0.001 0.000 0.279 88 V C 0.076 176.137 176.094 -0.054 0.000 1.029 88 V CA -0.147 62.111 62.300 -0.072 0.000 0.870 88 V CB 0.830 32.605 31.823 -0.080 0.000 0.984 88 V HN 0.888 nan 8.190 nan 0.000 0.451 89 F N 5.289 125.175 119.950 -0.106 0.000 2.148 89 F HA 0.312 4.839 4.527 0.001 0.000 0.285 89 F C 0.532 176.284 175.800 -0.081 0.000 1.092 89 F CA 1.025 58.975 58.000 -0.083 0.000 1.218 89 F CB 0.405 39.365 39.000 -0.066 0.000 1.059 89 F HN 0.334 nan 8.300 nan 0.000 0.490 90 L N 0.837 122.164 121.223 0.173 0.000 2.342 90 L HA 0.381 4.722 4.340 0.001 0.000 0.271 90 L C -0.826 176.017 176.870 -0.044 0.000 1.008 90 L CA -0.582 54.283 54.840 0.043 0.000 0.818 90 L CB 1.461 43.586 42.059 0.110 0.000 1.296 90 L HN -0.081 nan 8.230 nan 0.000 0.427 91 E N 2.728 122.863 120.200 -0.107 0.000 2.130 91 E HA 0.118 4.468 4.350 0.001 0.000 0.284 91 E C 0.629 177.161 176.600 -0.112 0.000 1.018 91 E CA -0.187 56.145 56.400 -0.113 0.000 0.817 91 E CB 0.977 30.596 29.700 -0.135 0.000 1.078 91 E HN 0.638 nan 8.360 nan 0.000 0.396 92 N N 2.280 120.932 118.700 -0.079 0.000 2.144 92 N HA -0.300 4.441 4.740 0.001 0.000 0.195 92 N C 1.239 176.711 175.510 -0.063 0.000 1.006 92 N CA 2.173 55.185 53.050 -0.063 0.000 0.880 92 N CB -0.535 37.920 38.487 -0.052 0.000 1.018 92 N HN 0.344 nan 8.380 nan 0.000 0.443 93 S N -1.844 113.804 115.700 -0.087 0.000 2.558 93 S HA 0.076 4.547 4.470 0.001 0.000 0.217 93 S C 1.626 176.128 174.600 -0.163 0.000 0.975 93 S CA 0.492 58.636 58.200 -0.093 0.000 0.912 93 S CB -0.574 62.577 63.200 -0.082 0.000 0.776 93 S HN 0.302 nan 8.310 nan 0.000 0.526 94 T N 2.200 116.586 114.554 -0.280 0.000 2.624 94 T HA -0.094 4.257 4.350 0.001 0.000 0.268 94 T C 0.403 174.713 174.700 -0.650 0.000 1.041 94 T CA 1.587 63.357 62.100 -0.551 0.000 1.159 94 T CB -0.593 67.739 68.868 -0.894 0.000 0.863 94 T HN 0.591 nan 8.240 nan 0.000 0.434 95 F N 1.331 121.165 119.950 -0.193 0.000 2.873 95 F HA 0.299 4.826 4.527 0.001 0.000 0.289 95 F C 1.204 176.988 175.800 -0.027 0.000 1.206 95 F CA -0.870 57.057 58.000 -0.122 0.000 1.401 95 F CB -0.418 38.445 39.000 -0.228 0.000 0.996 95 F HN -0.001 nan 8.300 nan 0.000 0.511 96 D N 0.688 121.105 120.400 0.028 0.000 2.310 96 D HA -0.094 4.547 4.640 0.001 0.000 0.212 96 D C 1.206 177.533 176.300 0.045 0.000 0.965 96 D CA 1.218 55.233 54.000 0.026 0.000 0.879 96 D CB 0.155 40.940 40.800 -0.024 0.000 0.921 96 D HN 0.440 nan 8.370 nan 0.000 0.510 97 E N -1.505 118.736 120.200 0.067 0.000 2.810 97 E HA 0.036 4.387 4.350 0.001 0.000 0.214 97 E C 0.658 177.302 176.600 0.073 0.000 0.980 97 E CA -0.304 56.123 56.400 0.045 0.000 1.159 97 E CB 0.228 29.932 29.700 0.007 0.000 1.047 97 E HN 0.164 nan 8.360 nan 0.000 0.484 98 F N 1.691 121.656 119.950 0.024 0.000 2.154 98 F HA -0.179 4.349 4.527 0.001 0.000 0.301 98 F C 1.544 177.321 175.800 -0.038 0.000 1.087 98 F CA 2.448 60.471 58.000 0.039 0.000 1.274 98 F CB 0.075 39.113 39.000 0.064 0.000 1.009 98 F HN 0.183 nan 8.300 nan 0.000 0.485 99 G N -1.147 107.600 108.800 -0.089 0.000 3.597 99 G HA2 -0.211 3.750 3.960 0.001 0.000 0.202 99 G HA3 -0.211 3.750 3.960 0.001 0.000 0.202 99 G C 0.167 174.970 174.900 -0.161 0.000 1.702 99 G CA -0.043 44.891 45.100 -0.277 0.000 1.354 99 G HN 0.518 nan 8.290 nan 0.000 0.609 100 H N 1.037 120.076 119.070 -0.051 0.000 2.836 100 H HA 0.444 5.000 4.556 0.001 0.000 0.368 100 H C 0.318 175.798 175.328 0.253 0.000 1.164 100 H CA 1.094 57.247 56.048 0.175 0.000 1.425 100 H CB 1.114 31.041 29.762 0.275 0.000 1.414 100 H HN 0.325 nan 8.280 nan 0.000 0.614 101 S N 2.415 118.304 115.700 0.315 0.000 2.642 101 S HA 0.169 4.640 4.470 0.001 0.000 0.309 101 S C 0.429 175.111 174.600 0.136 0.000 1.125 101 S CA -0.790 57.516 58.200 0.177 0.000 1.055 101 S CB -1.211 62.064 63.200 0.125 0.000 1.157 101 S HN 0.341 nan 8.310 nan 0.000 0.513 102 I N 4.718 125.297 120.570 0.016 0.000 2.906 102 I HA -0.074 4.096 4.170 0.001 0.000 0.301 102 I C 1.581 177.674 176.117 -0.039 0.000 1.221 102 I CA -0.008 61.228 61.300 -0.107 0.000 1.435 102 I CB 0.187 38.020 38.000 -0.279 0.000 1.345 102 I HN 0.618 nan 8.210 nan 0.000 0.558 103 N N 3.489 122.173 118.700 -0.027 0.000 2.402 103 N HA -0.008 4.732 4.740 0.001 0.000 0.174 103 N C -0.200 175.250 175.510 -0.100 0.000 1.027 103 N CA 0.728 53.732 53.050 -0.077 0.000 0.891 103 N CB 0.407 38.839 38.487 -0.092 0.000 1.016 103 N HN 0.770 nan 8.380 nan 0.000 0.439 104 D N -2.777 117.593 120.400 -0.049 0.000 2.755 104 D HA 0.158 4.798 4.640 0.001 0.000 0.277 104 D C -1.411 174.930 176.300 0.069 0.000 1.261 104 D CA -0.572 53.422 54.000 -0.009 0.000 0.759 104 D CB 0.163 40.910 40.800 -0.088 0.000 1.279 104 D HN 0.005 nan 8.370 nan 0.000 0.420 105 Y N -0.758 119.531 120.300 -0.018 0.000 3.123 105 Y HA 0.856 5.406 4.550 0.001 0.000 0.305 105 Y C -0.660 175.304 175.900 0.106 0.000 1.560 105 Y CA -0.859 57.253 58.100 0.020 0.000 1.048 105 Y CB 1.076 39.524 38.460 -0.020 0.000 1.380 105 Y HN 0.276 nan 8.280 nan 0.000 0.618 106 S N 0.481 116.313 115.700 0.220 0.000 2.286 106 S HA 0.278 4.749 4.470 0.001 0.000 0.228 106 S C -1.723 173.118 174.600 0.403 0.000 0.668 106 S CA -0.608 57.698 58.200 0.176 0.000 0.856 106 S CB -0.844 62.492 63.200 0.227 0.000 1.333 106 S HN 0.658 nan 8.310 nan 0.000 0.406 107 I N 3.475 124.216 120.570 0.284 0.000 2.752 107 I HA 0.184 4.354 4.170 0.001 0.000 0.287 107 I C 1.155 177.116 176.117 -0.261 0.000 1.188 107 I CA 0.893 62.247 61.300 0.090 0.000 1.427 107 I CB 1.051 39.046 38.000 -0.009 0.000 1.365 107 I HN 0.635 nan 8.210 nan 0.000 0.585 108 S N 6.888 122.166 115.700 -0.704 0.000 2.576 108 S HA 0.247 4.717 4.470 0.001 0.000 0.276 108 S C -1.508 172.799 174.600 -0.488 0.000 1.339 108 S CA -0.966 56.442 58.200 -1.319 0.000 1.039 108 S CB 0.778 63.002 63.200 -1.627 0.000 0.902 108 S HN 0.439 nan 8.310 nan 0.000 0.516 109 P HA -0.187 nan 4.420 nan 0.000 0.219 109 P C 0.592 177.852 177.300 -0.066 0.000 1.153 109 P CA 1.721 64.754 63.100 -0.112 0.000 0.865 109 P CB -0.079 31.583 31.700 -0.064 0.000 0.788 110 D N -2.093 118.262 120.400 -0.075 0.000 2.325 110 D HA 0.104 4.744 4.640 0.001 0.000 0.225 110 D C 0.975 177.256 176.300 -0.032 0.000 1.096 110 D CA 0.202 54.190 54.000 -0.021 0.000 0.844 110 D CB -1.250 39.567 40.800 0.028 0.000 0.925 110 D HN 0.129 nan 8.370 nan 0.000 0.513 111 G N 0.752 109.529 108.800 -0.039 0.000 2.366 111 G HA2 -0.351 3.610 3.960 0.001 0.000 0.299 111 G HA3 -0.351 3.610 3.960 0.001 0.000 0.299 111 G C 0.532 175.418 174.900 -0.025 0.000 1.020 111 G CA 0.665 45.800 45.100 0.059 0.000 1.026 111 G HN 0.482 nan 8.290 nan 0.000 0.512 112 Q N -2.079 117.626 119.800 -0.159 0.000 2.288 112 Q HA 0.409 4.750 4.340 0.001 0.000 0.256 112 Q C 0.062 175.677 176.000 -0.642 0.000 0.835 112 Q CA 0.405 55.949 55.803 -0.432 0.000 0.958 112 Q CB 0.892 29.274 28.738 -0.594 0.000 1.125 112 Q HN 0.509 nan 8.270 nan 0.000 0.513 113 F N -0.306 119.572 119.950 -0.120 0.000 2.626 113 F HA 0.531 5.059 4.527 0.001 0.000 0.311 113 F C -0.843 175.001 175.800 0.073 0.000 1.088 113 F CA -1.069 56.932 58.000 0.001 0.000 0.949 113 F CB 1.845 40.873 39.000 0.047 0.000 1.322 113 F HN -0.219 nan 8.300 nan 0.000 0.461 114 I N 2.537 123.424 120.570 0.529 0.000 2.533 114 I HA 0.498 4.669 4.170 0.001 0.000 0.290 114 I C -1.827 174.621 176.117 0.552 0.000 1.056 114 I CA -1.013 60.584 61.300 0.495 0.000 1.057 114 I CB 1.541 39.800 38.000 0.432 0.000 1.240 114 I HN 0.540 nan 8.210 nan 0.000 0.423 115 L N 8.127 129.719 121.223 0.614 0.000 2.305 115 L HA 0.473 4.814 4.340 0.001 0.000 0.281 115 L C -1.281 175.748 176.870 0.266 0.000 1.085 115 L CA 0.158 55.248 54.840 0.418 0.000 0.813 115 L CB 0.930 43.178 42.059 0.316 0.000 1.157 115 L HN 0.518 nan 8.230 nan 0.000 0.436 116 L N 5.482 126.798 121.223 0.155 0.000 2.298 116 L HA 0.456 4.796 4.340 0.001 0.000 0.284 116 L C -0.208 176.712 176.870 0.083 0.000 1.013 116 L CA -0.351 54.463 54.840 -0.044 0.000 0.824 116 L CB 1.469 43.260 42.059 -0.448 0.000 1.221 116 L HN 0.627 nan 8.230 nan 0.000 0.418 117 E N 4.580 124.787 120.200 0.011 0.000 2.092 117 E HA 0.335 4.686 4.350 0.001 0.000 0.271 117 E C -1.444 175.106 176.600 -0.083 0.000 0.919 117 E CA -0.536 55.710 56.400 -0.257 0.000 0.760 117 E CB 0.801 30.410 29.700 -0.151 0.000 1.106 117 E HN 0.444 nan 8.360 nan 0.000 0.408 118 Y N 1.768 121.851 120.300 -0.362 0.000 2.833 118 Y HA 0.488 5.039 4.550 0.001 0.000 0.319 118 Y C 0.161 175.974 175.900 -0.146 0.000 1.254 118 Y CA -2.127 55.872 58.100 -0.167 0.000 1.138 118 Y CB -0.027 38.406 38.460 -0.046 0.000 1.352 118 Y HN 0.435 nan 8.280 nan 0.000 0.546 119 N N -0.540 118.140 118.700 -0.032 0.000 2.725 119 N HA -0.285 4.456 4.740 0.001 0.000 0.251 119 N C -1.171 174.296 175.510 -0.071 0.000 1.031 119 N CA 0.788 53.766 53.050 -0.120 0.000 0.720 119 N CB -1.659 36.612 38.487 -0.359 0.000 0.930 119 N HN 0.805 nan 8.380 nan 0.000 0.543 120 Y N -0.094 120.145 120.300 -0.103 0.000 2.411 120 Y HA 0.400 4.950 4.550 0.001 0.000 0.333 120 Y C 0.251 176.117 175.900 -0.056 0.000 1.186 120 Y CA -0.110 57.934 58.100 -0.094 0.000 1.381 120 Y CB 0.898 39.266 38.460 -0.154 0.000 1.273 120 Y HN 0.001 nan 8.280 nan 0.000 0.546 121 V N 6.458 125.859 119.914 -0.854 0.000 2.737 121 V HA 0.212 4.333 4.120 0.001 0.000 0.298 121 V C -0.610 175.013 176.094 -0.785 0.000 1.163 121 V CA -1.600 60.332 62.300 -0.613 0.000 0.925 121 V CB 1.508 33.164 31.823 -0.278 0.000 1.037 121 V HN 0.772 nan 8.190 nan 0.000 0.433 122 K N 3.075 123.106 120.400 -0.615 0.000 2.258 122 K HA 0.436 4.757 4.320 0.001 0.000 0.264 122 K C 0.209 176.642 176.600 -0.278 0.000 1.007 122 K CA 0.018 56.098 56.287 -0.345 0.000 0.941 122 K CB 1.481 33.936 32.500 -0.075 0.000 0.966 122 K HN 0.845 nan 8.250 nan 0.000 0.480 123 Q N 1.702 121.326 119.800 -0.292 0.000 2.282 123 Q HA 0.189 4.530 4.340 0.001 0.000 0.193 123 Q C -0.039 175.737 176.000 -0.373 0.000 0.742 123 Q CA -0.517 54.904 55.803 -0.638 0.000 0.560 123 Q CB 0.280 28.420 28.738 -0.997 0.000 2.766 123 Q HN 0.719 nan 8.270 nan 0.000 0.318 124 W N 0.369 121.646 121.300 -0.039 0.000 1.763 124 W HA 0.287 4.947 4.660 0.001 0.000 0.619 124 W C 1.772 178.247 176.519 -0.075 0.000 1.755 124 W CA -0.533 56.800 57.345 -0.020 0.000 1.933 124 W CB -0.118 29.241 29.460 -0.167 0.000 3.002 124 W HN 0.335 nan 8.180 nan 0.000 0.782 125 R N -0.685 119.855 120.500 0.066 0.000 2.115 125 R HA -0.120 4.220 4.340 0.001 0.000 0.230 125 R C 1.672 177.856 176.300 -0.193 0.000 1.111 125 R CA 1.848 57.834 56.100 -0.189 0.000 0.976 125 R CB -0.378 29.606 30.300 -0.525 0.000 0.870 125 R HN 0.436 nan 8.270 nan 0.000 0.445 126 H N -1.611 117.523 119.070 0.108 0.000 2.926 126 H HA 0.252 4.809 4.556 0.001 0.000 0.249 126 H C 0.549 175.975 175.328 0.163 0.000 0.963 126 H CA 0.463 56.599 56.048 0.147 0.000 1.158 126 H CB -0.174 29.653 29.762 0.108 0.000 1.445 126 H HN 0.180 nan 8.280 nan 0.000 0.452 127 S N 1.321 117.001 115.700 -0.032 0.000 2.589 127 S HA 0.360 4.831 4.470 0.001 0.000 0.265 127 S C -0.137 174.327 174.600 -0.226 0.000 1.342 127 S CA -0.260 57.581 58.200 -0.598 0.000 1.005 127 S CB 0.739 62.872 63.200 -1.778 0.000 0.909 127 S HN 0.520 nan 8.310 nan 0.000 0.555 128 Y N -3.010 117.061 120.300 -0.381 0.000 2.927 128 Y HA 0.520 5.070 4.550 0.001 0.000 0.392 128 Y C -1.181 174.670 175.900 -0.081 0.000 1.159 128 Y CA -0.831 57.105 58.100 -0.273 0.000 1.220 128 Y CB 0.262 38.570 38.460 -0.253 0.000 1.506 128 Y HN 0.977 nan 8.280 nan 0.000 0.481 129 T N 0.226 114.820 114.554 0.067 0.000 2.893 129 T HA 1.023 5.373 4.350 0.001 0.000 0.291 129 T C -0.571 174.190 174.700 0.101 0.000 1.028 129 T CA -0.086 62.050 62.100 0.061 0.000 0.995 129 T CB 1.765 70.620 68.868 -0.022 0.000 1.051 129 T HN 1.899 nan 8.240 nan 0.000 0.470 130 A N 1.383 124.247 122.820 0.074 0.000 2.588 130 A HA 0.855 5.175 4.320 0.001 0.000 0.290 130 A C -0.463 176.918 177.584 -0.339 0.000 1.136 130 A CA -0.949 50.995 52.037 -0.155 0.000 0.681 130 A CB 1.305 20.193 19.000 -0.187 0.000 1.282 130 A HN 0.830 nan 8.150 nan 0.000 0.421 131 S N -0.965 114.314 115.700 -0.701 0.000 2.690 131 S HA 0.825 5.296 4.470 0.001 0.000 0.291 131 S C -1.545 172.529 174.600 -0.877 0.000 1.138 131 S CA -0.055 57.692 58.200 -0.754 0.000 1.013 131 S CB 0.674 63.167 63.200 -1.179 0.000 1.053 131 S HN 0.452 nan 8.310 nan 0.000 0.539 132 Y N -0.020 120.116 120.300 -0.274 0.000 2.504 132 Y HA 0.458 5.009 4.550 0.001 0.000 0.344 132 Y C -0.253 175.745 175.900 0.163 0.000 1.023 132 Y CA -0.878 57.225 58.100 0.006 0.000 1.020 132 Y CB 1.745 40.121 38.460 -0.139 0.000 1.282 132 Y HN 0.504 nan 8.280 nan 0.000 0.454 133 D N 2.133 122.775 120.400 0.403 0.000 2.527 133 D HA 0.577 5.218 4.640 0.001 0.000 0.233 133 D C -1.116 175.315 176.300 0.218 0.000 1.063 133 D CA -0.389 53.789 54.000 0.296 0.000 0.880 133 D CB 2.579 43.585 40.800 0.345 0.000 1.457 133 D HN 0.456 nan 8.370 nan 0.000 0.475 134 I N 2.537 123.239 120.570 0.220 0.000 2.420 134 I HA 0.153 4.324 4.170 0.001 0.000 0.282 134 I C -0.923 175.415 176.117 0.369 0.000 1.019 134 I CA -0.882 60.580 61.300 0.270 0.000 1.130 134 I CB 1.274 39.372 38.000 0.163 0.000 1.262 134 I HN 0.225 nan 8.210 nan 0.000 0.454 135 Y N 6.217 126.707 120.300 0.316 0.000 2.350 135 Y HA 0.189 4.739 4.550 0.001 0.000 0.340 135 Y C 0.379 176.521 175.900 0.403 0.000 1.006 135 Y CA -0.476 57.845 58.100 0.368 0.000 1.166 135 Y CB 0.668 39.420 38.460 0.486 0.000 1.168 135 Y HN 0.484 nan 8.280 nan 0.000 0.502 136 D N 6.965 127.251 120.400 -0.192 0.000 2.338 136 D HA 0.020 4.660 4.640 0.001 0.000 0.255 136 D C 0.899 176.891 176.300 -0.513 0.000 1.237 136 D CA 0.325 54.205 54.000 -0.201 0.000 0.883 136 D CB 0.756 41.479 40.800 -0.128 0.000 1.087 136 D HN 0.841 nan 8.370 nan 0.000 0.485 137 L N 3.762 124.812 121.223 -0.288 0.000 1.994 137 L HA -0.201 4.139 4.340 0.001 0.000 0.208 137 L C 2.050 178.788 176.870 -0.220 0.000 1.071 137 L CA 0.742 55.493 54.840 -0.148 0.000 0.745 137 L CB -0.644 41.378 42.059 -0.062 0.000 0.892 137 L HN 0.383 nan 8.230 nan 0.000 0.431 138 N N 1.477 120.001 118.700 -0.292 0.000 2.013 138 N HA -0.215 4.525 4.740 0.001 0.000 0.195 138 N C 1.573 176.966 175.510 -0.196 0.000 1.051 138 N CA 1.703 54.611 53.050 -0.236 0.000 0.851 138 N CB -0.513 37.820 38.487 -0.256 0.000 1.044 138 N HN 0.429 nan 8.380 nan 0.000 0.422 139 K N 1.522 121.794 120.400 -0.214 0.000 2.591 139 K HA 0.090 4.410 4.320 0.001 0.000 0.197 139 K C -0.379 176.116 176.600 -0.175 0.000 1.026 139 K CA -0.145 56.047 56.287 -0.158 0.000 1.127 139 K CB 0.164 32.589 32.500 -0.125 0.000 0.871 139 K HN -0.139 nan 8.250 nan 0.000 0.507 140 R N 1.377 121.747 120.500 -0.217 0.000 2.916 140 R HA -0.187 4.154 4.340 0.001 0.000 0.232 140 R C -0.607 175.565 176.300 -0.214 0.000 0.833 140 R CA 0.884 56.871 56.100 -0.187 0.000 0.566 140 R CB -1.566 28.721 30.300 -0.022 0.000 1.058 140 R HN 0.627 nan 8.270 nan 0.000 0.498 141 Q N -0.659 118.830 119.800 -0.519 0.000 2.991 141 Q HA 0.538 4.879 4.340 0.001 0.000 0.322 141 Q C -0.707 175.118 176.000 -0.290 0.000 0.978 141 Q CA -1.112 54.559 55.803 -0.221 0.000 0.787 141 Q CB 1.199 29.890 28.738 -0.079 0.000 1.492 141 Q HN 0.147 nan 8.270 nan 0.000 0.498 142 L N 1.637 122.927 121.223 0.111 0.000 2.454 142 L HA 0.431 4.772 4.340 0.001 0.000 0.258 142 L C -0.707 176.281 176.870 0.196 0.000 1.025 142 L CA -0.060 54.954 54.840 0.290 0.000 0.901 142 L CB 0.606 42.962 42.059 0.494 0.000 1.210 142 L HN 0.564 nan 8.230 nan 0.000 0.457 143 I N 3.440 124.109 120.570 0.165 0.000 3.417 143 I HA -0.207 3.964 4.170 0.001 0.000 0.317 143 I C 1.528 177.712 176.117 0.112 0.000 1.257 143 I CA 1.219 62.597 61.300 0.129 0.000 1.379 143 I CB 0.020 38.094 38.000 0.122 0.000 1.419 143 I HN 0.785 nan 8.210 nan 0.000 0.507 144 T N 2.312 116.917 114.554 0.086 0.000 3.044 144 T HA 0.044 4.394 4.350 0.001 0.000 0.255 144 T C 0.607 175.329 174.700 0.037 0.000 1.073 144 T CA -0.176 61.964 62.100 0.067 0.000 1.125 144 T CB 0.023 68.926 68.868 0.058 0.000 0.908 144 T HN 0.649 nan 8.240 nan 0.000 0.480 145 E N 1.765 121.983 120.200 0.031 0.000 2.231 145 E HA 0.411 4.762 4.350 0.001 0.000 0.277 145 E C -0.699 175.900 176.600 -0.001 0.000 0.999 145 E CA -0.927 55.480 56.400 0.011 0.000 0.827 145 E CB 0.477 30.186 29.700 0.016 0.000 1.101 145 E HN 0.098 nan 8.360 nan 0.000 0.393 146 E N 1.282 121.468 120.200 -0.022 0.000 2.393 146 E HA -0.230 4.121 4.350 0.001 0.000 0.169 146 E C -0.794 175.777 176.600 -0.049 0.000 1.591 146 E CA 0.811 57.188 56.400 -0.039 0.000 0.661 146 E CB -1.413 28.274 29.700 -0.021 0.000 1.097 146 E HN 0.726 nan 8.360 nan 0.000 0.356 147 R N -0.725 119.727 120.500 -0.079 0.000 2.832 147 R HA 0.686 5.027 4.340 0.001 0.000 0.271 147 R C 0.222 176.391 176.300 -0.219 0.000 0.996 147 R CA -1.145 54.893 56.100 -0.103 0.000 0.977 147 R CB 0.733 31.004 30.300 -0.049 0.000 1.168 147 R HN -0.073 nan 8.270 nan 0.000 0.482 148 I N 2.530 122.924 120.570 -0.293 0.000 2.845 148 I HA -0.013 4.157 4.170 0.001 0.000 0.296 148 I C -1.785 174.045 176.117 -0.478 0.000 1.216 148 I CA -1.060 59.905 61.300 -0.559 0.000 1.438 148 I CB -0.263 37.428 38.000 -0.516 0.000 1.342 148 I HN 0.607 nan 8.210 nan 0.000 0.577 149 P HA 0.093 nan 4.420 nan 0.000 0.280 149 P C -0.616 176.481 177.300 -0.337 0.000 1.278 149 P CA -0.286 62.447 63.100 -0.611 0.000 0.787 149 P CB 0.453 31.426 31.700 -1.212 0.000 1.163 150 N N 1.146 119.731 118.700 -0.192 0.000 2.472 150 N HA 0.174 4.914 4.740 0.001 0.000 0.289 150 N C -0.492 175.081 175.510 0.104 0.000 1.156 150 N CA -0.160 52.849 53.050 -0.068 0.000 0.940 150 N CB 0.101 38.555 38.487 -0.056 0.000 1.200 150 N HN 0.368 nan 8.380 nan 0.000 0.511 151 N N -0.209 118.518 118.700 0.045 0.000 2.746 151 N HA -0.142 4.599 4.740 0.001 0.000 0.250 151 N C -0.952 174.663 175.510 0.174 0.000 1.055 151 N CA 0.654 53.753 53.050 0.082 0.000 0.699 151 N CB -1.594 36.947 38.487 0.089 0.000 0.919 151 N HN 0.454 nan 8.380 nan 0.000 0.548 152 T N 0.692 115.337 114.554 0.151 0.000 2.856 152 T HA 0.196 4.547 4.350 0.001 0.000 0.292 152 T C 1.710 176.492 174.700 0.136 0.000 0.980 152 T CA -0.159 62.036 62.100 0.159 0.000 1.091 152 T CB 1.629 70.532 68.868 0.059 0.000 0.936 152 T HN 0.193 nan 8.240 nan 0.000 0.503 153 Q N 1.516 121.391 119.800 0.124 0.000 2.297 153 Q HA 0.163 4.503 4.340 0.001 0.000 0.203 153 Q C 0.046 176.171 176.000 0.207 0.000 0.931 153 Q CA 0.350 56.264 55.803 0.185 0.000 0.885 153 Q CB 0.837 29.642 28.738 0.112 0.000 0.991 153 Q HN 0.693 nan 8.270 nan 0.000 0.498 154 W N -0.134 121.078 121.300 -0.146 0.000 3.901 154 W HA 0.447 5.107 4.660 0.001 0.000 0.274 154 W C -2.456 173.924 176.519 -0.232 0.000 1.278 154 W CA -0.671 56.543 57.345 -0.217 0.000 1.235 154 W CB 0.883 30.170 29.460 -0.288 0.000 1.261 154 W HN -0.256 nan 8.180 nan 0.000 0.546 155 V N 5.254 124.444 119.914 -1.207 0.000 2.841 155 V HA 0.860 4.981 4.120 0.001 0.000 0.310 155 V C -1.416 174.072 176.094 -1.010 0.000 1.090 155 V CA -0.095 61.652 62.300 -0.922 0.000 0.930 155 V CB 2.288 33.518 31.823 -0.988 0.000 1.014 155 V HN 0.619 nan 8.190 nan 0.000 0.425 156 T N 5.236 119.502 114.554 -0.480 0.000 2.982 156 T HA 0.520 4.870 4.350 0.001 0.000 0.321 156 T C -1.459 173.246 174.700 0.009 0.000 1.229 156 T CA -0.340 61.649 62.100 -0.186 0.000 1.044 156 T CB 0.954 69.951 68.868 0.214 0.000 1.184 156 T HN 0.710 nan 8.240 nan 0.000 0.477 157 W N 3.072 124.421 121.300 0.083 0.000 2.237 157 W HA 0.480 5.141 4.660 0.001 0.000 0.335 157 W C 1.209 177.627 176.519 -0.168 0.000 1.230 157 W CA -0.606 56.739 57.345 -0.000 0.000 1.253 157 W CB 0.730 30.181 29.460 -0.016 0.000 1.129 157 W HN 0.802 nan 8.180 nan 0.000 0.590 158 S N 2.241 117.740 115.700 -0.336 0.000 2.580 158 S HA 0.054 4.525 4.470 0.001 0.000 0.266 158 S C -1.372 172.986 174.600 -0.403 0.000 1.354 158 S CA -0.896 56.543 58.200 -1.269 0.000 1.008 158 S CB 0.597 62.992 63.200 -1.342 0.000 0.898 158 S HN 0.442 nan 8.310 nan 0.000 0.555 159 P HA 0.054 nan 4.420 nan 0.000 0.223 159 P C 0.003 177.268 177.300 -0.058 0.000 1.151 159 P CA 0.746 63.819 63.100 -0.045 0.000 0.787 159 P CB 0.090 31.799 31.700 0.015 0.000 0.788 160 V N -1.580 118.250 119.914 -0.139 0.000 2.971 160 V HA 0.622 4.743 4.120 0.001 0.000 0.309 160 V C 0.624 176.640 176.094 -0.130 0.000 1.130 160 V CA 0.201 62.445 62.300 -0.094 0.000 0.964 160 V CB 1.298 33.081 31.823 -0.065 0.000 1.029 160 V HN 0.475 nan 8.190 nan 0.000 0.427 161 G N 3.010 111.780 108.800 -0.050 0.000 2.520 161 G HA2 -0.135 3.826 3.960 0.001 0.000 0.248 161 G HA3 -0.135 3.826 3.960 0.001 0.000 0.248 161 G C -0.027 174.928 174.900 0.090 0.000 1.161 161 G CA 0.429 45.534 45.100 0.008 0.000 0.946 161 G HN 1.874 nan 8.290 nan 0.000 0.565 162 H N -0.166 118.906 119.070 0.004 0.000 3.233 162 H HA 0.406 4.963 4.556 0.001 0.000 0.232 162 H C 0.226 175.755 175.328 0.336 0.000 1.322 162 H CA -0.025 56.092 56.048 0.115 0.000 1.043 162 H CB -0.537 29.329 29.762 0.173 0.000 2.572 162 H HN 0.577 nan 8.280 nan 0.000 0.597 163 K N 1.389 121.803 120.400 0.023 0.000 2.138 163 K HA 0.557 4.877 4.320 0.001 0.000 0.251 163 K C -0.323 176.376 176.600 0.166 0.000 1.015 163 K CA -0.522 55.761 56.287 -0.006 0.000 0.917 163 K CB 1.550 33.873 32.500 -0.295 0.000 1.021 163 K HN 0.112 nan 8.250 nan 0.000 0.485 164 L N 1.285 122.610 121.223 0.170 0.000 2.439 164 L HA 0.432 4.772 4.340 0.001 0.000 0.270 164 L C -1.052 175.958 176.870 0.233 0.000 0.972 164 L CA -0.817 54.067 54.840 0.072 0.000 0.836 164 L CB 2.054 43.996 42.059 -0.194 0.000 1.255 164 L HN 0.695 nan 8.230 nan 0.000 0.404 165 A N 3.709 126.686 122.820 0.262 0.000 2.303 165 A HA 0.791 5.112 4.320 0.001 0.000 0.320 165 A C -1.308 176.290 177.584 0.024 0.000 1.192 165 A CA -0.353 51.720 52.037 0.061 0.000 0.821 165 A CB 0.819 19.737 19.000 -0.137 0.000 1.188 165 A HN 0.678 nan 8.150 nan 0.000 0.492 166 Y N -0.065 120.191 120.300 -0.075 0.000 2.609 166 Y HA 0.793 5.343 4.550 0.001 0.000 0.342 166 Y C -1.087 174.811 175.900 -0.003 0.000 1.058 166 Y CA -1.530 56.500 58.100 -0.116 0.000 1.055 166 Y CB 1.378 39.708 38.460 -0.217 0.000 1.292 166 Y HN 0.356 nan 8.280 nan 0.000 0.476 167 V N 1.895 121.983 119.914 0.290 0.000 2.495 167 V HA 0.349 4.470 4.120 0.001 0.000 0.298 167 V C -1.548 174.758 176.094 0.352 0.000 1.031 167 V CA -0.675 61.764 62.300 0.231 0.000 0.871 167 V CB 1.422 33.267 31.823 0.038 0.000 0.988 167 V HN 0.877 nan 8.190 nan 0.000 0.432 168 W N 5.608 127.000 121.300 0.153 0.000 3.089 168 W HA 0.473 5.133 4.660 0.001 0.000 0.333 168 W C 0.016 176.570 176.519 0.059 0.000 1.053 168 W CA -0.547 56.834 57.345 0.060 0.000 1.257 168 W CB 0.965 30.410 29.460 -0.024 0.000 1.281 168 W HN 0.803 nan 8.180 nan 0.000 0.427 169 N N 5.889 124.196 118.700 -0.655 0.000 2.780 169 N HA -0.287 4.454 4.740 0.001 0.000 0.247 169 N C -0.001 175.316 175.510 -0.321 0.000 1.076 169 N CA 0.802 53.456 53.050 -0.660 0.000 0.688 169 N CB -1.259 36.604 38.487 -1.042 0.000 0.957 169 N HN 0.882 nan 8.380 nan 0.000 0.551 170 N N -0.909 117.656 118.700 -0.226 0.000 2.714 170 N HA -0.184 4.556 4.740 0.001 0.000 0.250 170 N C -1.236 174.185 175.510 -0.149 0.000 1.117 170 N CA 1.185 54.127 53.050 -0.180 0.000 0.719 170 N CB -0.447 37.892 38.487 -0.247 0.000 1.081 170 N HN 0.514 nan 8.380 nan 0.000 0.557 171 D N 0.335 120.679 120.400 -0.094 0.000 2.419 171 D HA 0.493 5.134 4.640 0.001 0.000 0.234 171 D C 0.057 176.249 176.300 -0.180 0.000 1.014 171 D CA -0.442 53.446 54.000 -0.187 0.000 0.919 171 D CB 1.875 42.539 40.800 -0.228 0.000 1.366 171 D HN -0.024 nan 8.370 nan 0.000 0.490 172 I N 1.655 121.942 120.570 -0.473 0.000 2.377 172 I HA 0.270 4.441 4.170 0.001 0.000 0.293 172 I C -1.034 174.690 176.117 -0.655 0.000 0.987 172 I CA -0.596 60.423 61.300 -0.469 0.000 1.185 172 I CB 0.821 38.438 38.000 -0.639 0.000 1.341 172 I HN 0.183 nan 8.210 nan 0.000 0.455 173 Y N 4.532 124.457 120.300 -0.625 0.000 2.425 173 Y HA 0.546 5.097 4.550 0.001 0.000 0.344 173 Y C -0.306 175.248 175.900 -0.576 0.000 0.969 173 Y CA -0.938 56.726 58.100 -0.726 0.000 1.052 173 Y CB 2.147 39.805 38.460 -1.338 0.000 1.215 173 Y HN 0.114 nan 8.280 nan 0.000 0.451 174 V N 3.611 123.452 119.914 -0.121 0.000 2.444 174 V HA 0.407 4.528 4.120 0.001 0.000 0.294 174 V C -0.629 175.591 176.094 0.210 0.000 1.022 174 V CA -1.253 61.058 62.300 0.017 0.000 0.850 174 V CB 1.611 33.430 31.823 -0.007 0.000 0.992 174 V HN 0.606 nan 8.190 nan 0.000 0.426 175 K N 4.306 124.819 120.400 0.188 0.000 2.293 175 K HA 0.495 4.816 4.320 0.001 0.000 0.267 175 K C 0.542 177.251 176.600 0.181 0.000 1.010 175 K CA -0.675 55.745 56.287 0.221 0.000 0.875 175 K CB 1.400 33.997 32.500 0.160 0.000 1.106 175 K HN 0.460 nan 8.250 nan 0.000 0.450 176 I N 1.418 122.106 120.570 0.197 0.000 2.233 176 I HA -0.066 4.104 4.170 0.001 0.000 0.243 176 I C 0.367 176.526 176.117 0.070 0.000 1.093 176 I CA 1.362 62.717 61.300 0.091 0.000 1.380 176 I CB -0.241 37.803 38.000 0.073 0.000 1.067 176 I HN 0.548 nan 8.210 nan 0.000 0.413 177 E N 0.592 120.864 120.200 0.120 0.000 2.191 177 E HA 0.265 4.615 4.350 0.001 0.000 0.263 177 E C -1.893 174.742 176.600 0.060 0.000 0.881 177 E CA -2.167 54.310 56.400 0.128 0.000 0.757 177 E CB 1.737 31.530 29.700 0.156 0.000 1.147 177 E HN -0.068 nan 8.360 nan 0.000 0.414 178 P HA -0.176 nan 4.420 nan 0.000 0.223 178 P C 0.706 177.979 177.300 -0.045 0.000 1.140 178 P CA 1.190 64.220 63.100 -0.116 0.000 0.783 178 P CB 0.285 31.759 31.700 -0.377 0.000 0.759 179 N N -2.263 116.442 118.700 0.008 0.000 2.197 179 N HA 0.041 4.782 4.740 0.001 0.000 0.201 179 N C 0.307 175.841 175.510 0.039 0.000 1.148 179 N CA 0.088 53.160 53.050 0.037 0.000 0.883 179 N CB 0.091 38.622 38.487 0.072 0.000 1.012 179 N HN 0.172 nan 8.380 nan 0.000 0.507 180 L N 1.482 122.735 121.223 0.050 0.000 2.400 180 L HA 0.489 4.829 4.340 0.001 0.000 0.264 180 L C -2.100 174.784 176.870 0.023 0.000 1.061 180 L CA -2.136 52.733 54.840 0.048 0.000 0.799 180 L CB 1.382 43.494 42.059 0.090 0.000 1.240 180 L HN -0.103 nan 8.230 nan 0.000 0.461 181 P HA 0.073 nan 4.420 nan 0.000 0.275 181 P C -0.932 176.290 177.300 -0.131 0.000 1.228 181 P CA -0.352 62.696 63.100 -0.087 0.000 0.786 181 P CB 1.149 32.766 31.700 -0.138 0.000 0.927 182 S N 2.386 118.043 115.700 -0.070 0.000 2.617 182 S HA 0.383 4.854 4.470 0.001 0.000 0.269 182 S C -0.515 173.993 174.600 -0.153 0.000 1.292 182 S CA -0.374 57.830 58.200 0.007 0.000 1.010 182 S CB 0.041 63.299 63.200 0.096 0.000 0.944 182 S HN 0.365 nan 8.310 nan 0.000 0.536 183 Y N -0.290 120.008 120.300 -0.003 0.000 2.387 183 Y HA 0.476 5.027 4.550 0.001 0.000 0.336 183 Y C 0.987 176.769 175.900 -0.196 0.000 1.067 183 Y CA -1.097 56.983 58.100 -0.035 0.000 1.114 183 Y CB 1.102 39.546 38.460 -0.027 0.000 1.208 183 Y HN 0.452 nan 8.280 nan 0.000 0.458 184 R N 3.809 124.213 120.500 -0.160 0.000 2.220 184 R HA 0.190 4.531 4.340 0.001 0.000 0.340 184 R C 0.312 176.343 176.300 -0.449 0.000 1.076 184 R CA 0.070 55.754 56.100 -0.695 0.000 0.920 184 R CB 0.367 30.085 30.300 -0.971 0.000 1.062 184 R HN 0.795 nan 8.270 nan 0.000 0.469 185 I N 1.201 121.445 120.570 -0.543 0.000 2.333 185 I HA -0.095 4.075 4.170 0.001 0.000 0.246 185 I C 1.508 177.432 176.117 -0.321 0.000 1.106 185 I CA 1.172 62.282 61.300 -0.318 0.000 1.411 185 I CB -0.800 36.970 38.000 -0.383 0.000 1.082 185 I HN 0.416 nan 8.210 nan 0.000 0.420 186 T N -3.599 110.591 114.554 -0.606 0.000 2.950 186 T HA 0.382 4.733 4.350 0.001 0.000 0.288 186 T C -0.421 173.809 174.700 -0.783 0.000 1.035 186 T CA -0.487 61.336 62.100 -0.463 0.000 1.028 186 T CB 2.142 70.747 68.868 -0.439 0.000 1.109 186 T HN 0.232 nan 8.240 nan 0.000 0.514 187 W N -0.439 120.759 121.300 -0.169 0.000 2.079 187 W HA 0.222 4.882 4.660 0.001 0.000 0.285 187 W C 1.560 178.034 176.519 -0.075 0.000 0.891 187 W CA -0.192 57.087 57.345 -0.110 0.000 1.308 187 W CB 0.154 29.563 29.460 -0.085 0.000 1.047 187 W HN 0.855 nan 8.180 nan 0.000 0.522 188 T N -1.777 112.812 114.554 0.059 0.000 3.278 188 T HA 0.337 4.688 4.350 0.001 0.000 0.251 188 T C 0.958 175.651 174.700 -0.012 0.000 1.039 188 T CA 0.016 62.142 62.100 0.045 0.000 0.935 188 T CB -0.105 68.798 68.868 0.059 0.000 1.034 188 T HN 0.057 nan 8.240 nan 0.000 0.575 189 G N 1.386 110.144 108.800 -0.069 0.000 2.396 189 G HA2 0.427 4.388 3.960 0.001 0.000 0.292 189 G HA3 0.427 4.388 3.960 0.001 0.000 0.292 189 G C -0.583 174.247 174.900 -0.118 0.000 1.106 189 G CA -0.561 44.468 45.100 -0.117 0.000 1.055 189 G HN 0.420 nan 8.290 nan 0.000 0.424 190 K N 2.292 122.613 120.400 -0.132 0.000 2.443 190 K HA 0.202 4.523 4.320 0.001 0.000 0.252 190 K C -0.201 176.281 176.600 -0.196 0.000 0.933 190 K CA -0.695 55.518 56.287 -0.123 0.000 0.792 190 K CB 1.985 34.455 32.500 -0.050 0.000 1.185 190 K HN 0.550 nan 8.250 nan 0.000 0.425 191 E N 2.688 122.784 120.200 -0.173 0.000 2.480 191 E HA -0.119 4.231 4.350 0.001 0.000 0.258 191 E C -0.589 175.943 176.600 -0.113 0.000 0.984 191 E CA 0.758 57.053 56.400 -0.174 0.000 0.930 191 E CB 0.282 29.912 29.700 -0.116 0.000 0.936 191 E HN 0.600 nan 8.360 nan 0.000 0.466 192 D N 2.578 122.906 120.400 -0.121 0.000 3.059 192 D HA -0.237 4.404 4.640 0.001 0.000 0.213 192 D C 0.515 176.937 176.300 0.204 0.000 1.144 192 D CA 1.181 55.256 54.000 0.126 0.000 0.975 192 D CB -0.367 40.511 40.800 0.130 0.000 1.125 192 D HN 0.417 nan 8.370 nan 0.000 0.412 193 I N -1.199 119.406 120.570 0.059 0.000 3.746 193 I HA 0.111 4.282 4.170 0.001 0.000 0.262 193 I C 0.772 177.034 176.117 0.242 0.000 1.153 193 I CA 0.468 61.870 61.300 0.170 0.000 1.395 193 I CB 0.218 38.265 38.000 0.079 0.000 1.589 193 I HN -0.123 nan 8.210 nan 0.000 0.441 194 I N 2.148 122.757 120.570 0.065 0.000 2.411 194 I HA 0.262 4.432 4.170 0.001 0.000 0.284 194 I C -1.313 174.839 176.117 0.057 0.000 1.012 194 I CA -0.505 60.891 61.300 0.160 0.000 1.119 194 I CB 1.035 39.087 38.000 0.086 0.000 1.261 194 I HN -0.000 nan 8.210 nan 0.000 0.448 195 Y N 4.719 125.121 120.300 0.169 0.000 2.353 195 Y HA 0.379 4.930 4.550 0.001 0.000 0.340 195 Y C 0.544 176.513 175.900 0.115 0.000 0.972 195 Y CA -0.877 57.326 58.100 0.172 0.000 1.157 195 Y CB 0.774 39.429 38.460 0.324 0.000 1.157 195 Y HN 0.390 nan 8.280 nan 0.000 0.495 196 N N 2.570 121.337 118.700 0.113 0.000 2.558 196 N HA 0.354 5.094 4.740 0.001 0.000 0.242 196 N C 0.810 176.263 175.510 -0.095 0.000 0.979 196 N CA 0.362 53.414 53.050 0.002 0.000 0.931 196 N CB 1.607 40.011 38.487 -0.139 0.000 1.122 196 N HN 0.970 nan 8.380 nan 0.000 0.508 197 G N 1.562 110.330 108.800 -0.052 0.000 2.175 197 G HA2 -0.230 3.730 3.960 0.001 0.000 0.244 197 G HA3 -0.230 3.730 3.960 0.001 0.000 0.244 197 G C 0.033 174.783 174.900 -0.250 0.000 0.982 197 G CA 0.379 45.371 45.100 -0.180 0.000 0.641 197 G HN 0.626 nan 8.290 nan 0.000 0.527 198 I N -1.552 118.955 120.570 -0.104 0.000 2.722 198 I HA 0.745 4.915 4.170 0.001 0.000 0.295 198 I C 0.231 176.412 176.117 0.107 0.000 1.161 198 I CA -0.660 60.500 61.300 -0.233 0.000 1.032 198 I CB 1.870 39.541 38.000 -0.548 0.000 1.244 198 I HN 0.166 nan 8.210 nan 0.000 0.421 199 T N 0.309 114.824 114.554 -0.065 0.000 2.868 199 T HA 0.333 4.684 4.350 0.001 0.000 0.292 199 T C 0.061 174.604 174.700 -0.263 0.000 1.028 199 T CA -0.466 61.430 62.100 -0.340 0.000 1.059 199 T CB 1.024 69.756 68.868 -0.226 0.000 0.991 199 T HN 0.770 nan 8.240 nan 0.000 0.531 200 D N 0.298 120.275 120.400 -0.705 0.000 2.315 200 D HA 0.042 4.682 4.640 0.001 0.000 0.275 200 D C 1.070 177.359 176.300 -0.018 0.000 1.218 200 D CA -0.721 52.920 54.000 -0.598 0.000 1.040 200 D CB -0.309 40.041 40.800 -0.751 0.000 1.123 200 D HN 0.684 nan 8.370 nan 0.000 0.541 201 W N -0.669 120.592 121.300 -0.066 0.000 2.413 201 W HA -0.100 4.560 4.660 0.001 0.000 0.315 201 W C 2.302 178.726 176.519 -0.159 0.000 1.186 201 W CA 1.752 59.045 57.345 -0.086 0.000 1.326 201 W CB -0.519 28.798 29.460 -0.238 0.000 1.153 201 W HN 0.119 nan 8.180 nan 0.000 0.489 202 V N 0.283 120.341 119.914 0.239 0.000 2.392 202 V HA -0.332 3.789 4.120 0.001 0.000 0.249 202 V C 1.918 177.902 176.094 -0.183 0.000 1.059 202 V CA 2.163 64.486 62.300 0.037 0.000 1.051 202 V CB -0.797 30.974 31.823 -0.086 0.000 0.658 202 V HN 0.343 nan 8.190 nan 0.000 0.455 203 Y N 0.547 120.703 120.300 -0.240 0.000 2.242 203 Y HA -0.182 4.368 4.550 0.001 0.000 0.291 203 Y C 2.638 178.497 175.900 -0.068 0.000 1.137 203 Y CA 2.186 60.161 58.100 -0.208 0.000 1.181 203 Y CB -0.059 38.172 38.460 -0.382 0.000 0.989 203 Y HN 0.396 nan 8.280 nan 0.000 0.527 204 E N 0.120 120.341 120.200 0.035 0.000 2.150 204 E HA -0.252 4.099 4.350 0.001 0.000 0.193 204 E C 1.823 178.409 176.600 -0.022 0.000 0.985 204 E CA 1.386 57.823 56.400 0.061 0.000 0.814 204 E CB 0.123 29.849 29.700 0.043 0.000 0.752 204 E HN 0.447 nan 8.360 nan 0.000 0.466 205 E N 0.450 120.457 120.200 -0.321 0.000 2.065 205 E HA -0.087 4.264 4.350 0.001 0.000 0.191 205 E C 1.648 178.158 176.600 -0.149 0.000 0.960 205 E CA 1.125 57.287 56.400 -0.396 0.000 0.824 205 E CB 0.094 29.196 29.700 -0.996 0.000 0.793 205 E HN 0.101 nan 8.360 nan 0.000 0.459 206 E N -0.372 119.731 120.200 -0.161 0.000 2.478 206 E HA 0.062 4.413 4.350 0.001 0.000 0.194 206 E C 1.427 177.938 176.600 -0.148 0.000 1.045 206 E CA 0.408 56.758 56.400 -0.083 0.000 0.868 206 E CB 1.046 30.696 29.700 -0.083 0.000 0.885 206 E HN 0.236 nan 8.360 nan 0.000 0.505 207 V N -1.469 118.334 119.914 -0.186 0.000 3.159 207 V HA 0.104 4.224 4.120 0.001 0.000 0.234 207 V C 1.229 177.189 176.094 -0.224 0.000 1.313 207 V CA 0.307 62.433 62.300 -0.290 0.000 1.271 207 V CB -0.112 31.378 31.823 -0.554 0.000 1.053 207 V HN 0.016 nan 8.190 nan 0.000 0.476 208 F N 0.396 120.383 119.950 0.062 0.000 2.717 208 F HA 0.365 4.893 4.527 0.001 0.000 0.295 208 F C 1.491 177.303 175.800 0.020 0.000 1.117 208 F CA 0.362 58.410 58.000 0.080 0.000 1.361 208 F CB 0.180 39.246 39.000 0.111 0.000 1.112 208 F HN 0.016 nan 8.300 nan 0.000 0.594 209 S N 0.923 116.743 115.700 0.199 0.000 3.628 209 S HA 0.088 4.559 4.470 0.001 0.000 0.373 209 S C -0.146 174.297 174.600 -0.261 0.000 0.968 209 S CA 0.386 58.646 58.200 0.101 0.000 1.215 209 S CB -1.556 61.668 63.200 0.040 0.000 0.912 209 S HN 0.736 nan 8.310 nan 0.000 0.495 210 A N -0.082 122.719 122.820 -0.031 0.000 2.571 210 A HA 0.575 4.896 4.320 0.001 0.000 0.296 210 A C -0.514 177.058 177.584 -0.021 0.000 1.005 210 A CA -0.419 51.520 52.037 -0.163 0.000 0.682 210 A CB 0.101 18.957 19.000 -0.240 0.000 1.292 210 A HN 0.566 nan 8.150 nan 0.000 0.420 211 Y N 1.452 121.592 120.300 -0.267 0.000 2.519 211 Y HA 0.297 4.847 4.550 0.001 0.000 0.287 211 Y C 1.336 176.907 175.900 -0.548 0.000 1.128 211 Y CA 1.034 58.969 58.100 -0.275 0.000 1.282 211 Y CB 0.203 38.574 38.460 -0.149 0.000 1.027 211 Y HN 0.719 nan 8.280 nan 0.000 0.551 212 S N 0.448 115.579 115.700 -0.947 0.000 2.545 212 S HA 0.583 5.054 4.470 0.001 0.000 0.275 212 S C 0.259 174.249 174.600 -1.017 0.000 1.299 212 S CA 0.005 57.434 58.200 -1.285 0.000 1.048 212 S CB 0.776 62.838 63.200 -1.896 0.000 0.938 212 S HN 0.372 nan 8.310 nan 0.000 0.496 213 A N 5.335 127.598 122.820 -0.927 0.000 2.795 213 A HA 0.502 4.822 4.320 0.001 0.000 0.282 213 A C -0.336 176.552 177.584 -1.159 0.000 0.964 213 A CA -0.648 50.778 52.037 -1.017 0.000 1.045 213 A CB -0.380 18.408 19.000 -0.353 0.000 1.174 213 A HN 0.945 nan 8.150 nan 0.000 0.493 214 L N -4.678 115.712 121.223 -1.388 0.000 2.434 214 L HA 0.824 5.164 4.340 0.001 0.000 0.260 214 L C -1.773 174.813 176.870 -0.473 0.000 0.983 214 L CA -0.895 53.565 54.840 -0.633 0.000 0.820 214 L CB 1.691 43.577 42.059 -0.288 0.000 1.361 214 L HN 0.352 nan 8.230 nan 0.000 0.410 215 W N 1.617 123.012 121.300 0.158 0.000 2.802 215 W HA 0.310 4.970 4.660 0.001 0.000 0.331 215 W C -1.338 175.435 176.519 0.423 0.000 1.021 215 W CA -0.703 56.831 57.345 0.315 0.000 1.259 215 W CB 1.257 30.959 29.460 0.404 0.000 1.323 215 W HN 0.615 nan 8.180 nan 0.000 0.432 216 W N 2.502 124.021 121.300 0.366 0.000 2.209 216 W HA 0.134 4.794 4.660 0.001 0.000 0.344 216 W C 1.307 177.669 176.519 -0.262 0.000 1.285 216 W CA 0.540 57.953 57.345 0.114 0.000 1.267 216 W CB 0.577 30.081 29.460 0.074 0.000 1.167 216 W HN 0.171 nan 8.180 nan 0.000 0.574 217 S N 2.502 117.965 115.700 -0.396 0.000 2.585 217 S HA 0.141 4.611 4.470 0.001 0.000 0.273 217 S C -1.732 172.635 174.600 -0.389 0.000 1.339 217 S CA -1.107 56.351 58.200 -1.236 0.000 1.028 217 S CB 0.989 63.511 63.200 -1.130 0.000 0.906 217 S HN 0.302 nan 8.310 nan 0.000 0.528 218 P HA -0.212 nan 4.420 nan 0.000 0.221 218 P C 0.425 177.693 177.300 -0.053 0.000 1.153 218 P CA 1.922 64.991 63.100 -0.052 0.000 0.858 218 P CB -0.260 31.449 31.700 0.015 0.000 0.783 219 N N -3.050 115.600 118.700 -0.084 0.000 2.416 219 N HA 0.252 4.992 4.740 0.001 0.000 0.267 219 N C 0.966 176.396 175.510 -0.133 0.000 1.294 219 N CA -0.031 52.965 53.050 -0.089 0.000 0.891 219 N CB -0.615 37.835 38.487 -0.061 0.000 1.238 219 N HN 0.112 nan 8.380 nan 0.000 0.508 220 G N -0.327 108.392 108.800 -0.135 0.000 2.238 220 G HA2 -0.430 3.531 3.960 0.001 0.000 0.270 220 G HA3 -0.430 3.531 3.960 0.001 0.000 0.270 220 G C 1.152 176.094 174.900 0.069 0.000 0.977 220 G CA 1.316 46.314 45.100 -0.169 0.000 0.639 220 G HN 0.406 nan 8.290 nan 0.000 0.544 221 T N -0.232 114.291 114.554 -0.053 0.000 2.720 221 T HA 0.106 4.457 4.350 0.001 0.000 0.268 221 T C 0.822 175.397 174.700 -0.209 0.000 1.037 221 T CA 1.455 63.440 62.100 -0.191 0.000 1.144 221 T CB -0.094 68.554 68.868 -0.366 0.000 0.864 221 T HN 0.320 nan 8.240 nan 0.000 0.444 222 F N -0.304 119.699 119.950 0.087 0.000 2.507 222 F HA 0.660 5.187 4.527 0.001 0.000 0.327 222 F C -0.333 175.571 175.800 0.173 0.000 1.068 222 F CA -1.644 56.448 58.000 0.154 0.000 0.965 222 F CB 1.463 40.598 39.000 0.224 0.000 1.192 222 F HN -0.161 nan 8.300 nan 0.000 0.476 223 L N 2.444 123.889 121.223 0.369 0.000 2.406 223 L HA 0.778 5.119 4.340 0.001 0.000 0.270 223 L C -0.922 176.104 176.870 0.260 0.000 0.982 223 L CA -0.406 54.481 54.840 0.079 0.000 0.843 223 L CB 1.039 42.909 42.059 -0.314 0.000 1.225 223 L HN 0.653 nan 8.230 nan 0.000 0.412 224 A N 4.600 127.644 122.820 0.374 0.000 2.318 224 A HA 0.780 5.100 4.320 0.001 0.000 0.324 224 A C -1.378 176.357 177.584 0.253 0.000 1.170 224 A CA -0.363 51.756 52.037 0.137 0.000 0.810 224 A CB 0.562 19.694 19.000 0.220 0.000 1.198 224 A HN 0.721 nan 8.150 nan 0.000 0.484 225 Y N -0.519 119.656 120.300 -0.208 0.000 2.705 225 Y HA 0.880 5.431 4.550 0.001 0.000 0.332 225 Y C 0.041 175.851 175.900 -0.150 0.000 1.157 225 Y CA -1.060 57.027 58.100 -0.023 0.000 1.091 225 Y CB 0.869 39.255 38.460 -0.123 0.000 1.301 225 Y HN 0.846 nan 8.280 nan 0.000 0.488 226 A N 0.623 123.563 122.820 0.201 0.000 2.347 226 A HA 0.772 5.093 4.320 0.001 0.000 0.301 226 A C -1.391 176.119 177.584 -0.124 0.000 1.163 226 A CA -0.873 51.135 52.037 -0.048 0.000 0.860 226 A CB 1.902 20.870 19.000 -0.052 0.000 1.367 226 A HN 0.809 nan 8.150 nan 0.000 0.461 227 Q N 0.117 119.631 119.800 -0.477 0.000 2.280 227 Q HA 0.543 4.884 4.340 0.001 0.000 0.259 227 Q C -2.210 173.481 176.000 -0.515 0.000 0.964 227 Q CA -0.309 55.340 55.803 -0.257 0.000 0.844 227 Q CB 1.196 30.063 28.738 0.216 0.000 1.334 227 Q HN 0.579 nan 8.270 nan 0.000 0.423 228 F N 1.917 121.964 119.950 0.161 0.000 2.458 228 F HA 0.511 5.038 4.527 0.001 0.000 0.330 228 F C 0.468 176.406 175.800 0.231 0.000 1.082 228 F CA -0.894 57.172 58.000 0.111 0.000 0.995 228 F CB 1.415 40.370 39.000 -0.074 0.000 1.170 228 F HN 0.416 nan 8.300 nan 0.000 0.478 229 N N 1.402 120.315 118.700 0.355 0.000 2.576 229 N HA 0.223 4.963 4.740 0.001 0.000 0.269 229 N C -1.154 174.514 175.510 0.263 0.000 1.058 229 N CA -0.392 52.831 53.050 0.289 0.000 0.860 229 N CB 0.766 39.372 38.487 0.199 0.000 1.249 229 N HN 0.492 nan 8.380 nan 0.000 0.525 230 D N 1.429 122.009 120.400 0.299 0.000 2.491 230 D HA 0.130 4.770 4.640 0.001 0.000 0.228 230 D C 1.249 177.663 176.300 0.191 0.000 1.183 230 D CA 0.099 54.241 54.000 0.236 0.000 0.827 230 D CB 0.432 41.394 40.800 0.270 0.000 0.989 230 D HN 0.422 nan 8.370 nan 0.000 0.494 231 T N 0.454 115.110 114.554 0.169 0.000 2.685 231 T HA -0.196 4.155 4.350 0.001 0.000 0.268 231 T C 1.095 175.856 174.700 0.101 0.000 1.034 231 T CA 1.344 63.519 62.100 0.125 0.000 1.149 231 T CB 0.014 68.947 68.868 0.108 0.000 0.860 231 T HN 0.318 nan 8.240 nan 0.000 0.449 232 E N 0.275 120.534 120.200 0.099 0.000 2.651 232 E HA 0.222 4.572 4.350 0.001 0.000 0.208 232 E C -0.810 175.839 176.600 0.083 0.000 0.997 232 E CA -0.235 56.213 56.400 0.080 0.000 1.020 232 E CB 0.901 30.642 29.700 0.069 0.000 1.052 232 E HN 0.176 nan 8.360 nan 0.000 0.465 233 V N 3.005 122.978 119.914 0.099 0.000 2.498 233 V HA 0.172 4.292 4.120 0.001 0.000 0.279 233 V C -1.947 174.199 176.094 0.085 0.000 1.048 233 V CA -1.789 60.570 62.300 0.098 0.000 0.967 233 V CB 0.661 32.554 31.823 0.116 0.000 0.988 233 V HN 0.082 nan 8.190 nan 0.000 0.473 234 P HA 0.205 nan 4.420 nan 0.000 0.270 234 P C -0.807 176.530 177.300 0.062 0.000 1.227 234 P CA -0.092 63.044 63.100 0.060 0.000 0.788 234 P CB 0.479 32.215 31.700 0.060 0.000 0.926 235 L N 1.710 122.949 121.223 0.028 0.000 2.346 235 L HA 0.467 4.808 4.340 0.001 0.000 0.276 235 L C -0.077 176.756 176.870 -0.062 0.000 1.006 235 L CA -1.135 53.707 54.840 0.003 0.000 0.817 235 L CB 1.675 43.732 42.059 -0.002 0.000 1.272 235 L HN 0.282 nan 8.230 nan 0.000 0.421 236 I N 2.600 123.092 120.570 -0.130 0.000 2.396 236 I HA 0.268 4.439 4.170 0.001 0.000 0.292 236 I C -0.380 175.610 176.117 -0.213 0.000 0.999 236 I CA -0.022 61.118 61.300 -0.267 0.000 1.310 236 I CB 1.056 38.682 38.000 -0.624 0.000 1.404 236 I HN 0.548 nan 8.210 nan 0.000 0.496 237 E N 7.707 127.799 120.200 -0.180 0.000 2.234 237 E HA 0.505 4.856 4.350 0.001 0.000 0.266 237 E C -1.765 174.766 176.600 -0.114 0.000 0.877 237 E CA -0.568 55.717 56.400 -0.193 0.000 0.758 237 E CB 1.928 31.542 29.700 -0.144 0.000 1.170 237 E HN 0.571 nan 8.360 nan 0.000 0.415 238 Y N -1.627 118.588 120.300 -0.143 0.000 2.597 238 Y HA 0.549 5.100 4.550 0.001 0.000 0.340 238 Y C -0.720 175.110 175.900 -0.116 0.000 1.097 238 Y CA -1.344 56.681 58.100 -0.126 0.000 1.037 238 Y CB 0.846 39.237 38.460 -0.116 0.000 1.305 238 Y HN 0.219 nan 8.280 nan 0.000 0.463 239 S N 2.069 117.755 115.700 -0.023 0.000 2.565 239 S HA 0.452 4.923 4.470 0.001 0.000 0.276 239 S C -1.319 173.105 174.600 -0.294 0.000 1.326 239 S CA -0.351 57.665 58.200 -0.307 0.000 1.045 239 S CB 0.471 63.316 63.200 -0.590 0.000 0.918 239 S HN 0.530 nan 8.310 nan 0.000 0.505 240 F N 2.369 122.030 119.950 -0.481 0.000 2.477 240 F HA 0.458 4.985 4.527 0.001 0.000 0.335 240 F C -0.473 175.099 175.800 -0.380 0.000 1.130 240 F CA -1.103 56.747 58.000 -0.250 0.000 0.948 240 F CB 0.935 39.900 39.000 -0.059 0.000 1.154 240 F HN 0.614 nan 8.300 nan 0.000 0.439 241 Y N 2.810 122.849 120.300 -0.436 0.000 2.478 241 Y HA 0.190 4.741 4.550 0.001 0.000 0.261 241 Y C 1.700 177.489 175.900 -0.185 0.000 1.127 241 Y CA 0.736 58.706 58.100 -0.216 0.000 1.288 241 Y CB -0.584 37.763 38.460 -0.190 0.000 1.084 241 Y HN 0.764 nan 8.280 nan 0.000 0.530 242 S N -0.165 115.357 115.700 -0.297 0.000 3.762 242 S HA -0.257 4.214 4.470 0.001 0.000 0.627 242 S C -0.108 174.525 174.600 0.054 0.000 2.389 242 S CA 1.129 59.367 58.200 0.063 0.000 3.978 242 S CB -1.337 62.043 63.200 0.300 0.000 0.234 242 S HN 0.472 nan 8.310 nan 0.000 0.960 243 D N 1.505 121.965 120.400 0.101 0.000 2.329 243 D HA 0.255 4.896 4.640 0.001 0.000 0.246 243 D C 1.326 177.653 176.300 0.045 0.000 1.111 243 D CA 0.164 54.203 54.000 0.066 0.000 0.941 243 D CB 0.737 41.579 40.800 0.069 0.000 1.169 243 D HN 0.604 nan 8.370 nan 0.000 0.441 244 E N 0.439 120.654 120.200 0.025 0.000 2.097 244 E HA -0.227 4.124 4.350 0.001 0.000 0.196 244 E C 1.533 178.141 176.600 0.013 0.000 1.000 244 E CA 1.386 57.791 56.400 0.009 0.000 0.804 244 E CB 0.091 29.791 29.700 -0.000 0.000 0.740 244 E HN 0.417 nan 8.360 nan 0.000 0.454 245 S N 0.194 115.908 115.700 0.023 0.000 2.537 245 S HA -0.135 4.335 4.470 0.001 0.000 0.240 245 S C 0.766 175.387 174.600 0.034 0.000 0.981 245 S CA 0.027 58.241 58.200 0.024 0.000 0.948 245 S CB -0.136 63.083 63.200 0.030 0.000 0.759 245 S HN 0.215 nan 8.310 nan 0.000 0.531 246 L N 2.271 123.522 121.223 0.045 0.000 2.295 246 L HA 0.389 4.730 4.340 0.001 0.000 0.288 246 L C 1.184 178.079 176.870 0.041 0.000 1.079 246 L CA -0.027 54.852 54.840 0.065 0.000 0.830 246 L CB 0.663 42.778 42.059 0.094 0.000 1.200 246 L HN 0.252 nan 8.230 nan 0.000 0.438 247 Q N 3.604 123.422 119.800 0.031 0.000 2.364 247 Q HA -0.064 4.277 4.340 0.001 0.000 0.207 247 Q C -0.775 175.089 176.000 -0.227 0.000 0.970 247 Q CA 1.089 56.837 55.803 -0.092 0.000 0.888 247 Q CB 0.199 28.882 28.738 -0.092 0.000 0.951 247 Q HN 0.680 nan 8.270 nan 0.000 0.469 248 Y N 0.223 120.540 120.300 0.027 0.000 2.322 248 Y HA 0.339 4.889 4.550 0.001 0.000 0.324 248 Y C -2.197 173.711 175.900 0.014 0.000 1.027 248 Y CA -2.801 55.311 58.100 0.020 0.000 1.179 248 Y CB 1.550 40.013 38.460 0.006 0.000 1.136 248 Y HN 0.061 nan 8.280 nan 0.000 0.449 249 P HA -0.042 nan 4.420 nan 0.000 0.260 249 P C -0.731 176.565 177.300 -0.007 0.000 1.172 249 P CA 0.002 63.111 63.100 0.016 0.000 0.760 249 P CB 0.373 32.035 31.700 -0.063 0.000 0.773 250 K N 1.005 121.400 120.400 -0.008 0.000 2.154 250 K HA 0.482 4.802 4.320 0.001 0.000 0.264 250 K C -0.376 176.173 176.600 -0.085 0.000 1.008 250 K CA -0.597 55.683 56.287 -0.012 0.000 0.937 250 K CB 0.360 32.879 32.500 0.030 0.000 1.002 250 K HN 0.152 nan 8.250 nan 0.000 0.469 251 T N 1.962 116.454 114.554 -0.104 0.000 2.788 251 T HA 0.207 4.557 4.350 0.001 0.000 0.296 251 T C -0.531 174.042 174.700 -0.212 0.000 1.009 251 T CA -0.718 61.283 62.100 -0.165 0.000 0.949 251 T CB 0.900 69.687 68.868 -0.135 0.000 0.946 251 T HN 0.362 nan 8.240 nan 0.000 0.453 252 V N 5.864 125.562 119.914 -0.361 0.000 2.555 252 V HA 0.367 4.488 4.120 0.001 0.000 0.286 252 V C 0.463 176.291 176.094 -0.444 0.000 1.044 252 V CA -0.211 61.826 62.300 -0.438 0.000 1.026 252 V CB 0.671 32.095 31.823 -0.665 0.000 0.981 252 V HN 0.708 nan 8.190 nan 0.000 0.480 253 R N 3.732 124.096 120.500 -0.226 0.000 2.412 253 R HA 0.578 4.918 4.340 0.001 0.000 0.304 253 R C -1.071 175.208 176.300 -0.034 0.000 1.066 253 R CA -0.422 55.591 56.100 -0.144 0.000 0.923 253 R CB 1.978 32.224 30.300 -0.091 0.000 1.156 253 R HN 0.554 nan 8.270 nan 0.000 0.513 254 V N 2.283 122.180 119.914 -0.029 0.000 2.581 254 V HA 0.597 4.718 4.120 0.001 0.000 0.303 254 V C -2.615 173.523 176.094 0.074 0.000 1.041 254 V CA -2.911 59.437 62.300 0.079 0.000 0.907 254 V CB 2.258 34.133 31.823 0.087 0.000 0.994 254 V HN 0.468 nan 8.190 nan 0.000 0.442 255 P HA 0.238 nan 4.420 nan 0.000 0.269 255 P C -1.782 175.602 177.300 0.139 0.000 1.252 255 P CA 0.544 63.735 63.100 0.153 0.000 0.780 255 P CB -0.289 31.540 31.700 0.214 0.000 0.829 256 Y N 6.796 127.051 120.300 -0.074 0.000 2.315 256 Y HA 0.396 4.946 4.550 0.001 0.000 0.324 256 Y C -2.811 173.039 175.900 -0.084 0.000 1.062 256 Y CA -3.032 54.971 58.100 -0.163 0.000 1.159 256 Y CB 1.747 39.982 38.460 -0.375 0.000 1.145 256 Y HN 0.276 nan 8.280 nan 0.000 0.442 257 P HA 0.290 nan 4.420 nan 0.000 0.293 257 P C -1.229 176.134 177.300 0.106 0.000 1.313 257 P CA -0.355 62.797 63.100 0.087 0.000 0.787 257 P CB 1.615 33.336 31.700 0.034 0.000 0.910 258 K N 1.989 122.509 120.400 0.201 0.000 2.098 258 K HA 0.507 4.827 4.320 0.001 0.000 0.261 258 K C 0.398 177.078 176.600 0.132 0.000 0.987 258 K CA -0.800 55.612 56.287 0.208 0.000 0.916 258 K CB 0.829 33.454 32.500 0.210 0.000 1.039 258 K HN 0.445 nan 8.250 nan 0.000 0.455 259 A N 1.750 124.665 122.820 0.158 0.000 2.550 259 A HA 0.142 4.463 4.320 0.001 0.000 0.273 259 A C 1.242 178.842 177.584 0.027 0.000 1.017 259 A CA 1.338 53.455 52.037 0.132 0.000 0.910 259 A CB -1.554 17.585 19.000 0.231 0.000 0.891 259 A HN 0.982 nan 8.150 nan 0.000 0.507 260 G N 1.199 110.021 108.800 0.037 0.000 2.339 260 G HA2 0.185 4.146 3.960 0.001 0.000 0.209 260 G HA3 0.185 4.146 3.960 0.001 0.000 0.209 260 G C 0.837 175.751 174.900 0.024 0.000 1.015 260 G CA 0.546 45.648 45.100 0.003 0.000 0.635 260 G HN 2.225 nan 8.290 nan 0.000 0.499 261 A N 0.285 123.130 122.820 0.041 0.000 2.407 261 A HA 0.553 4.873 4.320 0.001 0.000 0.257 261 A C 0.967 178.584 177.584 0.056 0.000 1.131 261 A CA 0.774 52.842 52.037 0.050 0.000 0.803 261 A CB 0.116 19.158 19.000 0.069 0.000 1.083 261 A HN 1.266 nan 8.150 nan 0.000 0.512 262 V N 2.618 122.567 119.914 0.059 0.000 2.446 262 V HA 0.055 4.175 4.120 0.001 0.000 0.276 262 V C 0.455 176.599 176.094 0.083 0.000 1.030 262 V CA -0.346 61.993 62.300 0.065 0.000 1.033 262 V CB -0.355 31.506 31.823 0.062 0.000 0.993 262 V HN 0.751 nan 8.190 nan 0.000 0.477 263 N N 6.383 125.140 118.700 0.095 0.000 2.483 263 N HA 0.382 5.123 4.740 0.001 0.000 0.269 263 N C -2.267 173.337 175.510 0.156 0.000 1.209 263 N CA -1.322 51.807 53.050 0.131 0.000 0.969 263 N CB 1.253 39.849 38.487 0.183 0.000 1.173 263 N HN 0.412 nan 8.380 nan 0.000 0.475 264 P HA 0.056 nan 4.420 nan 0.000 0.271 264 P C -0.275 177.206 177.300 0.300 0.000 1.216 264 P CA -0.135 63.113 63.100 0.247 0.000 0.776 264 P CB 0.373 32.231 31.700 0.264 0.000 0.881 265 T N -0.170 114.527 114.554 0.238 0.000 2.881 265 T HA 0.550 4.900 4.350 0.001 0.000 0.278 265 T C 0.017 174.864 174.700 0.245 0.000 0.982 265 T CA -0.711 61.499 62.100 0.183 0.000 0.989 265 T CB 1.401 70.330 68.868 0.102 0.000 1.058 265 T HN 0.391 nan 8.240 nan 0.000 0.529 266 V N -0.213 119.798 119.914 0.162 0.000 3.114 266 V HA 0.795 4.916 4.120 0.001 0.000 0.308 266 V C -1.756 174.356 176.094 0.030 0.000 1.168 266 V CA -0.949 61.398 62.300 0.079 0.000 1.015 266 V CB 2.221 34.159 31.823 0.192 0.000 1.050 266 V HN 1.096 nan 8.190 nan 0.000 0.433 267 K N 3.543 123.873 120.400 -0.116 0.000 2.502 267 K HA 0.539 4.860 4.320 0.001 0.000 0.257 267 K C -2.092 174.279 176.600 -0.380 0.000 0.938 267 K CA -0.427 55.728 56.287 -0.221 0.000 0.819 267 K CB 2.643 34.945 32.500 -0.330 0.000 1.333 267 K HN 0.589 nan 8.250 nan 0.000 0.434 268 F N 2.975 122.574 119.950 -0.585 0.000 2.495 268 F HA 0.588 5.115 4.527 0.001 0.000 0.327 268 F C -1.304 173.961 175.800 -0.893 0.000 1.103 268 F CA -0.515 57.131 58.000 -0.589 0.000 0.949 268 F CB 0.756 39.613 39.000 -0.239 0.000 1.142 268 F HN 0.415 nan 8.300 nan 0.000 0.457 269 F N 3.400 122.559 119.950 -1.317 0.000 2.664 269 F HA 0.837 5.365 4.527 0.001 0.000 0.329 269 F C -0.928 174.142 175.800 -1.217 0.000 1.090 269 F CA -1.263 56.103 58.000 -1.057 0.000 0.978 269 F CB 1.938 40.296 39.000 -1.070 0.000 1.378 269 F HN 0.132 nan 8.300 nan 0.000 0.495 270 V N 1.429 121.108 119.914 -0.393 0.000 2.817 270 V HA 0.574 4.694 4.120 0.001 0.000 0.303 270 V C -1.547 174.652 176.094 0.176 0.000 1.151 270 V CA -0.740 61.435 62.300 -0.207 0.000 0.929 270 V CB 1.866 33.379 31.823 -0.517 0.000 1.030 270 V HN 0.612 nan 8.190 nan 0.000 0.427 271 V N 3.881 123.986 119.914 0.318 0.000 2.686 271 V HA 0.558 4.679 4.120 0.001 0.000 0.306 271 V C -0.499 175.856 176.094 0.435 0.000 1.065 271 V CA -0.546 61.975 62.300 0.369 0.000 0.894 271 V CB 2.097 34.064 31.823 0.239 0.000 1.004 271 V HN 0.979 nan 8.190 nan 0.000 0.424 272 N N 3.956 122.921 118.700 0.441 0.000 2.431 272 N HA 0.043 4.783 4.740 0.001 0.000 0.265 272 N C 1.216 176.740 175.510 0.024 0.000 1.184 272 N CA 0.872 54.013 53.050 0.151 0.000 0.943 272 N CB 1.783 40.283 38.487 0.022 0.000 1.080 272 N HN 0.917 nan 8.380 nan 0.000 0.477 273 T N 0.459 115.013 114.554 0.001 0.000 2.896 273 T HA -0.071 4.280 4.350 0.001 0.000 0.263 273 T C 1.119 175.759 174.700 -0.099 0.000 1.050 273 T CA 0.771 62.863 62.100 -0.014 0.000 1.140 273 T CB -0.077 68.892 68.868 0.169 0.000 0.877 273 T HN 0.321 nan 8.240 nan 0.000 0.457 274 D N 2.494 122.818 120.400 -0.128 0.000 2.190 274 D HA -0.076 4.565 4.640 0.001 0.000 0.200 274 D C 1.271 177.500 176.300 -0.120 0.000 0.992 274 D CA 1.623 55.539 54.000 -0.140 0.000 0.854 274 D CB -0.262 40.428 40.800 -0.184 0.000 0.936 274 D HN 0.676 nan 8.370 nan 0.000 0.462 275 S N 0.012 115.650 115.700 -0.104 0.000 2.497 275 S HA 0.442 4.912 4.470 0.001 0.000 0.193 275 S C -0.078 174.489 174.600 -0.054 0.000 1.360 275 S CA -0.766 57.398 58.200 -0.059 0.000 1.204 275 S CB -0.127 63.062 63.200 -0.019 0.000 1.171 275 S HN -0.024 nan 8.310 nan 0.000 0.502 276 L N 1.640 122.784 121.223 -0.131 0.000 2.334 276 L HA 0.666 5.006 4.340 0.001 0.000 0.275 276 L C 0.351 177.218 176.870 -0.006 0.000 1.036 276 L CA -0.470 54.280 54.840 -0.150 0.000 0.807 276 L CB 1.928 43.669 42.059 -0.530 0.000 1.231 276 L HN 0.478 nan 8.230 nan 0.000 0.438 277 S N -0.371 115.409 115.700 0.133 0.000 2.472 277 S HA 0.285 4.756 4.470 0.001 0.000 0.303 277 S C 0.652 175.421 174.600 0.282 0.000 1.099 277 S CA -0.466 57.848 58.200 0.189 0.000 1.077 277 S CB 1.434 64.701 63.200 0.112 0.000 1.031 277 S HN 0.672 nan 8.310 nan 0.000 0.487 278 S N 3.382 119.224 115.700 0.237 0.000 2.593 278 S HA 0.134 4.605 4.470 0.001 0.000 0.217 278 S C 0.829 175.471 174.600 0.070 0.000 0.966 278 S CA 0.011 58.282 58.200 0.118 0.000 0.914 278 S CB 0.179 63.409 63.200 0.050 0.000 0.776 278 S HN 0.518 nan 8.310 nan 0.000 0.523 279 V N 0.170 120.131 119.914 0.079 0.000 3.539 279 V HA 0.287 4.408 4.120 0.001 0.000 0.262 279 V C 0.375 176.492 176.094 0.038 0.000 1.381 279 V CA 0.632 62.960 62.300 0.047 0.000 1.060 279 V CB 0.885 32.730 31.823 0.037 0.000 0.842 279 V HN 0.462 nan 8.190 nan 0.000 0.445 280 T N 1.161 115.749 114.554 0.057 0.000 2.861 280 T HA 0.354 4.705 4.350 0.001 0.000 0.287 280 T C -0.347 174.391 174.700 0.062 0.000 1.003 280 T CA -0.435 61.687 62.100 0.037 0.000 0.977 280 T CB 1.341 70.226 68.868 0.029 0.000 0.996 280 T HN 0.076 nan 8.240 nan 0.000 0.448 281 N N 2.535 121.246 118.700 0.018 0.000 2.365 281 N HA 0.156 4.897 4.740 0.001 0.000 0.265 281 N C 0.367 175.928 175.510 0.085 0.000 1.288 281 N CA 0.074 53.155 53.050 0.052 0.000 0.869 281 N CB 0.557 38.981 38.487 -0.105 0.000 1.071 281 N HN 0.832 nan 8.380 nan 0.000 0.480 282 A N 2.853 125.758 122.820 0.141 0.000 2.555 282 A HA 0.126 4.446 4.320 0.001 0.000 0.233 282 A C 0.364 178.002 177.584 0.090 0.000 1.060 282 A CA 0.333 52.435 52.037 0.109 0.000 0.759 282 A CB 0.110 19.169 19.000 0.099 0.000 0.995 282 A HN 0.550 nan 8.150 nan 0.000 0.506 283 T N 2.633 117.241 114.554 0.090 0.000 2.772 283 T HA 0.458 4.809 4.350 0.001 0.000 0.288 283 T C -0.176 174.597 174.700 0.122 0.000 0.994 283 T CA -0.199 61.953 62.100 0.088 0.000 0.951 283 T CB 0.837 69.759 68.868 0.091 0.000 0.933 283 T HN 0.566 nan 8.240 nan 0.000 0.447 284 S N 4.036 119.786 115.700 0.083 0.000 2.457 284 S HA 0.443 4.913 4.470 0.001 0.000 0.289 284 S C 0.279 174.962 174.600 0.139 0.000 1.163 284 S CA -0.904 57.359 58.200 0.104 0.000 1.078 284 S CB 0.442 63.650 63.200 0.013 0.000 0.987 284 S HN 0.488 nan 8.310 nan 0.000 0.482 285 I N 3.182 123.892 120.570 0.233 0.000 2.441 285 I HA 0.239 4.410 4.170 0.001 0.000 0.287 285 I C 0.650 176.910 176.117 0.239 0.000 1.049 285 I CA -0.177 61.285 61.300 0.270 0.000 1.381 285 I CB 0.518 38.769 38.000 0.419 0.000 1.409 285 I HN 0.699 nan 8.210 nan 0.000 0.523 286 Q N 6.217 126.176 119.800 0.265 0.000 2.235 286 Q HA 0.534 4.874 4.340 0.001 0.000 0.250 286 Q C -1.239 174.790 176.000 0.048 0.000 0.909 286 Q CA -0.529 55.354 55.803 0.133 0.000 0.910 286 Q CB 1.467 30.285 28.738 0.133 0.000 1.223 286 Q HN 0.585 nan 8.270 nan 0.000 0.432 287 I N 3.917 124.491 120.570 0.006 0.000 2.405 287 I HA 0.182 4.352 4.170 0.001 0.000 0.280 287 I C 0.411 176.557 176.117 0.047 0.000 1.027 287 I CA -0.746 60.594 61.300 0.066 0.000 1.161 287 I CB 1.494 39.555 38.000 0.101 0.000 1.300 287 I HN 0.708 nan 8.210 nan 0.000 0.463 288 T N 3.072 117.609 114.554 -0.029 0.000 2.860 288 T HA 0.574 4.924 4.350 0.001 0.000 0.299 288 T C 0.459 174.994 174.700 -0.276 0.000 1.045 288 T CA -0.582 61.438 62.100 -0.133 0.000 1.071 288 T CB 1.425 70.217 68.868 -0.126 0.000 0.985 288 T HN 0.569 nan 8.240 nan 0.000 0.537 289 A N 2.751 125.192 122.820 -0.632 0.000 2.272 289 A HA 0.664 4.984 4.320 0.001 0.000 0.275 289 A C -2.290 174.895 177.584 -0.665 0.000 1.096 289 A CA -1.811 49.515 52.037 -1.185 0.000 0.822 289 A CB -0.742 17.051 19.000 -2.011 0.000 1.088 289 A HN 0.762 nan 8.150 nan 0.000 0.495 290 P HA 0.237 nan 4.420 nan 0.000 0.269 290 P C 0.601 177.717 177.300 -0.306 0.000 1.215 290 P CA 0.576 63.484 63.100 -0.320 0.000 0.780 290 P CB 0.748 32.320 31.700 -0.214 0.000 0.898 291 A N 2.304 125.006 122.820 -0.197 0.000 1.902 291 A HA -0.190 4.131 4.320 0.001 0.000 0.217 291 A C 2.102 179.589 177.584 -0.162 0.000 1.181 291 A CA 2.262 54.198 52.037 -0.168 0.000 0.623 291 A CB -1.835 17.099 19.000 -0.110 0.000 0.818 291 A HN 0.618 nan 8.150 nan 0.000 0.443 292 S N -1.530 114.098 115.700 -0.120 0.000 2.440 292 S HA -0.186 4.284 4.470 0.001 0.000 0.238 292 S C 1.705 176.236 174.600 -0.114 0.000 1.010 292 S CA 1.870 60.024 58.200 -0.077 0.000 0.972 292 S CB -0.321 62.892 63.200 0.021 0.000 0.774 292 S HN 0.352 nan 8.310 nan 0.000 0.501 293 M N 1.258 120.718 119.600 -0.234 0.000 2.429 293 M HA 0.440 4.921 4.480 0.001 0.000 0.265 293 M C 1.772 177.712 176.300 -0.600 0.000 1.120 293 M CA 0.807 55.870 55.300 -0.394 0.000 1.173 293 M CB -0.802 31.460 32.600 -0.563 0.000 1.343 293 M HN 0.268 nan 8.290 nan 0.000 0.464 294 L N 0.247 121.160 121.223 -0.516 0.000 2.265 294 L HA -0.148 4.192 4.340 0.001 0.000 0.215 294 L C 2.050 178.834 176.870 -0.144 0.000 1.117 294 L CA 0.813 55.443 54.840 -0.349 0.000 0.782 294 L CB -1.018 40.892 42.059 -0.249 0.000 0.914 294 L HN 0.361 nan 8.230 nan 0.000 0.441 295 I N -2.437 118.054 120.570 -0.132 0.000 2.700 295 I HA 0.023 4.194 4.170 0.001 0.000 0.261 295 I C 1.141 177.236 176.117 -0.037 0.000 1.219 295 I CA 0.834 62.090 61.300 -0.074 0.000 1.463 295 I CB -0.657 37.296 38.000 -0.078 0.000 1.092 295 I HN 0.113 nan 8.210 nan 0.000 0.452 296 G N -0.092 108.699 108.800 -0.015 0.000 2.911 296 G HA2 0.344 4.304 3.960 0.001 0.000 0.299 296 G HA3 0.344 4.304 3.960 0.001 0.000 0.299 296 G C -1.812 173.167 174.900 0.133 0.000 1.283 296 G CA -0.537 44.581 45.100 0.030 0.000 0.805 296 G HN 0.030 nan 8.290 nan 0.000 0.548 297 D N 0.946 121.380 120.400 0.058 0.000 2.345 297 D HA 0.495 5.136 4.640 0.001 0.000 0.247 297 D C 0.337 176.625 176.300 -0.020 0.000 1.108 297 D CA 0.412 54.412 54.000 0.000 0.000 0.894 297 D CB 0.721 41.482 40.800 -0.064 0.000 1.203 297 D HN 0.519 nan 8.370 nan 0.000 0.430 298 H N -0.804 118.130 119.070 -0.226 0.000 2.984 298 H HA 0.496 5.052 4.556 0.001 0.000 0.277 298 H C -1.282 173.902 175.328 -0.240 0.000 1.502 298 H CA -0.740 55.117 56.048 -0.319 0.000 1.195 298 H CB 0.387 30.107 29.762 -0.069 0.000 1.866 298 H HN 0.313 nan 8.280 nan 0.000 0.594 299 Y N -0.611 119.928 120.300 0.397 0.000 2.615 299 Y HA 0.473 5.024 4.550 0.001 0.000 0.341 299 Y C -0.856 175.339 175.900 0.491 0.000 1.089 299 Y CA -1.223 57.109 58.100 0.387 0.000 1.049 299 Y CB 1.621 40.145 38.460 0.107 0.000 1.296 299 Y HN 0.471 nan 8.280 nan 0.000 0.470 300 L N 2.195 123.764 121.223 0.578 0.000 2.301 300 L HA 0.450 4.790 4.340 0.001 0.000 0.278 300 L C 0.137 176.971 176.870 -0.059 0.000 1.022 300 L CA -0.457 54.381 54.840 -0.003 0.000 0.854 300 L CB 0.315 42.318 42.059 -0.093 0.000 1.226 300 L HN 0.951 nan 8.230 nan 0.000 0.429 301 C N 0.959 120.136 119.300 -0.204 0.000 2.673 301 C HA 0.437 4.898 4.460 0.001 0.000 0.264 301 C C 0.545 175.325 174.990 -0.350 0.000 1.304 301 C CA -0.433 58.394 59.018 -0.317 0.000 1.727 301 C CB -0.771 26.880 27.740 -0.149 0.000 1.932 301 C HN 0.816 nan 8.230 nan 0.000 0.563 302 D N -0.675 119.538 120.400 -0.311 0.000 2.623 302 D HA 0.486 5.127 4.640 0.001 0.000 0.241 302 D C -1.948 174.113 176.300 -0.399 0.000 1.241 302 D CA -0.010 53.861 54.000 -0.216 0.000 0.788 302 D CB 2.768 43.447 40.800 -0.201 0.000 1.413 302 D HN -0.019 nan 8.370 nan 0.000 0.429 303 V N 1.840 121.505 119.914 -0.415 0.000 2.577 303 V HA 0.409 4.529 4.120 0.001 0.000 0.294 303 V C -0.753 174.987 176.094 -0.589 0.000 1.052 303 V CA -0.427 61.376 62.300 -0.829 0.000 0.891 303 V CB 1.908 32.709 31.823 -1.702 0.000 1.017 303 V HN 0.626 nan 8.190 nan 0.000 0.436 304 T N 3.847 118.121 114.554 -0.466 0.000 2.949 304 T HA 0.366 4.716 4.350 0.001 0.000 0.300 304 T C -0.691 173.884 174.700 -0.208 0.000 0.988 304 T CA -0.409 61.574 62.100 -0.195 0.000 0.993 304 T CB 0.753 69.602 68.868 -0.032 0.000 0.984 304 T HN 0.502 nan 8.240 nan 0.000 0.442 305 W N 2.050 123.280 121.300 -0.116 0.000 2.181 305 W HA 0.445 5.105 4.660 0.001 0.000 0.335 305 W C 1.145 177.549 176.519 -0.192 0.000 1.310 305 W CA -0.191 57.083 57.345 -0.118 0.000 1.226 305 W CB 0.553 30.022 29.460 0.016 0.000 1.155 305 W HN 0.804 nan 8.180 nan 0.000 0.565 306 A N 1.666 124.412 122.820 -0.123 0.000 1.984 306 A HA 0.259 4.579 4.320 0.001 0.000 0.203 306 A C 0.666 178.219 177.584 -0.053 0.000 1.292 306 A CA 1.337 53.099 52.037 -0.459 0.000 0.782 306 A CB -0.188 18.096 19.000 -1.194 0.000 0.924 306 A HN 0.519 nan 8.150 nan 0.000 0.475 307 T N -5.236 109.382 114.554 0.107 0.000 2.762 307 T HA 0.330 4.681 4.350 0.001 0.000 0.301 307 T C -0.028 174.834 174.700 0.269 0.000 1.299 307 T CA -0.432 61.764 62.100 0.160 0.000 1.005 307 T CB 0.870 69.813 68.868 0.124 0.000 1.377 307 T HN -0.036 nan 8.240 nan 0.000 0.504 308 Q N 0.409 120.327 119.800 0.195 0.000 2.308 308 Q HA -0.087 4.253 4.340 0.001 0.000 0.209 308 Q C 0.973 177.202 176.000 0.381 0.000 0.985 308 Q CA 1.689 57.612 55.803 0.199 0.000 0.881 308 Q CB -0.122 28.691 28.738 0.125 0.000 0.917 308 Q HN 0.851 nan 8.270 nan 0.000 0.443 309 E N -0.332 120.089 120.200 0.369 0.000 2.630 309 E HA 0.177 4.528 4.350 0.001 0.000 0.218 309 E C 0.059 176.928 176.600 0.448 0.000 0.977 309 E CA -0.213 56.410 56.400 0.372 0.000 1.038 309 E CB 1.008 30.835 29.700 0.213 0.000 1.051 309 E HN 0.009 nan 8.360 nan 0.000 0.487 310 R N 1.597 122.368 120.500 0.453 0.000 2.621 310 R HA 0.635 4.975 4.340 0.001 0.000 0.292 310 R C -1.565 174.796 176.300 0.102 0.000 0.969 310 R CA -0.482 55.773 56.100 0.258 0.000 0.887 310 R CB 1.501 31.838 30.300 0.062 0.000 1.180 310 R HN 0.053 nan 8.270 nan 0.000 0.450 311 I N 2.275 122.709 120.570 -0.226 0.000 2.827 311 I HA 0.383 4.553 4.170 0.001 0.000 0.298 311 I C -1.312 174.484 176.117 -0.535 0.000 1.235 311 I CA -0.457 60.440 61.300 -0.672 0.000 1.021 311 I CB 2.463 39.547 38.000 -1.526 0.000 1.259 311 I HN 0.884 nan 8.210 nan 0.000 0.427 312 S N 6.790 122.169 115.700 -0.534 0.000 2.532 312 S HA 0.854 5.325 4.470 0.001 0.000 0.301 312 S C -1.243 173.028 174.600 -0.549 0.000 1.083 312 S CA -0.692 57.278 58.200 -0.384 0.000 1.025 312 S CB 2.056 65.163 63.200 -0.155 0.000 1.056 312 S HN 0.411 nan 8.310 nan 0.000 0.494 313 L N 1.694 122.610 121.223 -0.512 0.000 2.410 313 L HA 0.508 4.848 4.340 0.001 0.000 0.270 313 L C -0.390 176.105 176.870 -0.625 0.000 0.983 313 L CA -0.194 54.199 54.840 -0.745 0.000 0.822 313 L CB 1.988 43.516 42.059 -0.884 0.000 1.285 313 L HN 0.808 nan 8.230 nan 0.000 0.409 314 Q N 2.148 121.551 119.800 -0.663 0.000 2.307 314 Q HA 0.458 4.798 4.340 0.001 0.000 0.262 314 Q C -1.575 174.149 176.000 -0.461 0.000 0.961 314 Q CA -0.470 55.079 55.803 -0.423 0.000 0.882 314 Q CB 1.825 30.395 28.738 -0.281 0.000 1.264 314 Q HN 0.502 nan 8.270 nan 0.000 0.446 315 W N 2.554 123.798 121.300 -0.092 0.000 2.570 315 W HA 0.586 5.246 4.660 0.001 0.000 0.337 315 W C -0.757 175.764 176.519 0.004 0.000 1.067 315 W CA -0.657 56.678 57.345 -0.017 0.000 1.229 315 W CB 0.900 30.342 29.460 -0.030 0.000 1.355 315 W HN 0.364 nan 8.180 nan 0.000 0.555 316 L N 2.551 123.969 121.223 0.325 0.000 2.385 316 L HA 0.528 4.869 4.340 0.001 0.000 0.273 316 L C -0.096 176.871 176.870 0.162 0.000 0.990 316 L CA -1.135 53.841 54.840 0.225 0.000 0.821 316 L CB 1.411 43.628 42.059 0.264 0.000 1.279 316 L HN 0.372 nan 8.230 nan 0.000 0.412 317 R N 2.276 122.855 120.500 0.132 0.000 2.438 317 R HA 0.198 4.538 4.340 0.001 0.000 0.287 317 R C 1.136 177.386 176.300 -0.083 0.000 1.077 317 R CA -0.124 56.005 56.100 0.047 0.000 1.034 317 R CB 0.833 31.196 30.300 0.104 0.000 0.993 317 R HN 0.636 nan 8.270 nan 0.000 0.459 318 R N 2.542 122.905 120.500 -0.230 0.000 2.165 318 R HA -0.206 4.135 4.340 0.001 0.000 0.254 318 R C 0.830 177.096 176.300 -0.058 0.000 1.153 318 R CA 1.765 57.691 56.100 -0.290 0.000 0.971 318 R CB -0.303 29.878 30.300 -0.198 0.000 0.878 318 R HN 0.554 nan 8.270 nan 0.000 0.449 319 I N 1.933 122.492 120.570 -0.019 0.000 2.269 319 I HA 0.063 4.234 4.170 0.001 0.000 0.293 319 I C -0.567 175.580 176.117 0.051 0.000 1.106 319 I CA -0.086 61.224 61.300 0.016 0.000 1.248 319 I CB 0.980 38.984 38.000 0.008 0.000 1.444 319 I HN 0.177 nan 8.210 nan 0.000 0.497 320 Q N 5.278 125.117 119.800 0.065 0.000 2.383 320 Q HA 0.015 4.356 4.340 0.001 0.000 0.210 320 Q C 0.072 176.147 176.000 0.125 0.000 0.891 320 Q CA 0.170 56.035 55.803 0.104 0.000 0.985 320 Q CB -0.727 28.066 28.738 0.091 0.000 1.409 320 Q HN 0.825 nan 8.270 nan 0.000 0.391 321 N N -0.512 118.262 118.700 0.124 0.000 2.235 321 N HA 0.009 4.749 4.740 0.001 0.000 0.231 321 N C -1.152 174.475 175.510 0.195 0.000 1.177 321 N CA -0.320 52.798 53.050 0.114 0.000 0.874 321 N CB 0.359 38.887 38.487 0.067 0.000 1.097 321 N HN 0.274 nan 8.380 nan 0.000 0.518 322 Y N 0.707 121.024 120.300 0.029 0.000 2.348 322 Y HA 0.484 5.035 4.550 0.001 0.000 0.321 322 Y C -1.391 174.533 175.900 0.040 0.000 1.163 322 Y CA -0.802 57.313 58.100 0.025 0.000 1.070 322 Y CB 1.116 39.581 38.460 0.008 0.000 1.250 322 Y HN 0.176 nan 8.280 nan 0.000 0.425 323 S N 3.989 119.484 115.700 -0.341 0.000 2.632 323 S HA 0.956 5.426 4.470 0.001 0.000 0.289 323 S C -1.895 172.505 174.600 -0.332 0.000 1.115 323 S CA -0.774 57.301 58.200 -0.208 0.000 0.889 323 S CB 2.190 65.347 63.200 -0.072 0.000 1.116 323 S HN 0.537 nan 8.310 nan 0.000 0.486 324 V N 1.833 121.675 119.914 -0.120 0.000 2.808 324 V HA 0.533 4.654 4.120 0.001 0.000 0.308 324 V C -0.874 175.235 176.094 0.026 0.000 1.099 324 V CA -0.614 61.644 62.300 -0.070 0.000 0.920 324 V CB 2.023 33.833 31.823 -0.021 0.000 1.014 324 V HN 1.028 nan 8.190 nan 0.000 0.425 325 M N 3.388 122.989 119.600 0.002 0.000 2.205 325 M HA 0.568 5.048 4.480 0.001 0.000 0.344 325 M C -1.335 174.999 176.300 0.056 0.000 1.085 325 M CA -0.347 54.939 55.300 -0.023 0.000 1.001 325 M CB 1.228 33.765 32.600 -0.104 0.000 1.626 325 M HN 0.663 nan 8.290 nan 0.000 0.442 326 D N 4.717 125.144 120.400 0.045 0.000 2.168 326 D HA 0.506 5.146 4.640 0.001 0.000 0.246 326 D C -0.975 175.329 176.300 0.006 0.000 1.050 326 D CA 0.027 54.065 54.000 0.063 0.000 0.857 326 D CB 1.484 42.355 40.800 0.118 0.000 1.169 326 D HN 0.557 nan 8.370 nan 0.000 0.453 327 I N 3.222 123.824 120.570 0.054 0.000 2.390 327 I HA 0.294 4.464 4.170 0.001 0.000 0.283 327 I C -0.710 175.430 176.117 0.037 0.000 1.016 327 I CA -0.636 60.689 61.300 0.042 0.000 1.151 327 I CB 0.913 38.999 38.000 0.143 0.000 1.293 327 I HN 0.239 nan 8.210 nan 0.000 0.458 328 c N 3.734 122.335 118.600 0.001 0.000 2.417 328 c HA 0.623 5.193 4.570 0.001 0.000 0.324 328 c C -0.272 173.938 174.090 0.200 0.000 1.240 328 c CA -0.783 55.599 56.329 0.089 0.000 1.632 328 c CB 1.083 43.634 42.510 0.068 0.000 2.241 328 c HN 0.619 nan 8.230 nan 0.000 0.499 329 D N -0.407 120.131 120.400 0.229 0.000 2.350 329 D HA 0.400 5.041 4.640 0.001 0.000 0.238 329 D C -0.867 175.469 176.300 0.059 0.000 0.989 329 D CA -0.359 53.769 54.000 0.213 0.000 0.921 329 D CB 0.767 41.625 40.800 0.097 0.000 1.297 329 D HN 0.614 nan 8.370 nan 0.000 0.490 330 Y N 1.050 121.062 120.300 -0.480 0.000 2.359 330 Y HA 0.195 4.745 4.550 0.001 0.000 0.330 330 Y C -0.222 175.403 175.900 -0.457 0.000 1.143 330 Y CA 0.049 57.499 58.100 -1.084 0.000 1.318 330 Y CB 0.855 38.576 38.460 -1.231 0.000 1.234 330 Y HN 0.202 nan 8.280 nan 0.000 0.522 331 D N 5.464 125.269 120.400 -0.992 0.000 2.427 331 D HA 0.069 4.710 4.640 0.001 0.000 0.226 331 D C 0.723 176.600 176.300 -0.705 0.000 1.076 331 D CA -0.110 53.541 54.000 -0.581 0.000 0.849 331 D CB 1.235 41.809 40.800 -0.378 0.000 1.052 331 D HN 0.914 nan 8.370 nan 0.000 0.515 332 E N 2.136 122.187 120.200 -0.247 0.000 2.108 332 E HA -0.281 4.069 4.350 0.001 0.000 0.203 332 E C 1.571 178.145 176.600 -0.045 0.000 1.022 332 E CA 2.544 58.957 56.400 0.022 0.000 0.823 332 E CB 0.297 30.052 29.700 0.092 0.000 0.744 332 E HN 0.513 nan 8.360 nan 0.000 0.456 333 S N -0.709 114.939 115.700 -0.086 0.000 2.348 333 S HA -0.112 4.358 4.470 0.001 0.000 0.219 333 S C 2.199 176.746 174.600 -0.088 0.000 1.033 333 S CA 0.868 59.033 58.200 -0.058 0.000 0.974 333 S CB -0.588 62.585 63.200 -0.044 0.000 0.868 333 S HN 0.280 nan 8.310 nan 0.000 0.459 334 S N 1.651 117.265 115.700 -0.142 0.000 2.359 334 S HA 0.065 4.536 4.470 0.001 0.000 0.223 334 S C 1.793 176.307 174.600 -0.144 0.000 1.039 334 S CA 2.169 60.287 58.200 -0.137 0.000 1.042 334 S CB -1.233 61.868 63.200 -0.166 0.000 0.915 334 S HN 1.601 nan 8.310 nan 0.000 0.439 335 G N 0.781 109.408 108.800 -0.288 0.000 2.157 335 G HA2 -0.162 3.799 3.960 0.001 0.000 0.239 335 G HA3 -0.162 3.799 3.960 0.001 0.000 0.239 335 G C 0.098 174.883 174.900 -0.193 0.000 0.982 335 G CA 0.258 45.232 45.100 -0.211 0.000 0.650 335 G HN 0.642 nan 8.290 nan 0.000 0.527 336 R N -1.391 118.937 120.500 -0.287 0.000 2.960 336 R HA 0.737 5.078 4.340 0.001 0.000 0.249 336 R C -0.922 175.225 176.300 -0.254 0.000 1.192 336 R CA -0.953 55.094 56.100 -0.089 0.000 1.035 336 R CB 0.562 30.865 30.300 0.005 0.000 1.234 336 R HN 0.136 nan 8.270 nan 0.000 0.493 337 W N 0.272 121.535 121.300 -0.062 0.000 2.573 337 W HA 0.441 5.102 4.660 0.001 0.000 0.326 337 W C -0.297 176.195 176.519 -0.045 0.000 1.049 337 W CA -0.367 56.946 57.345 -0.053 0.000 1.220 337 W CB 1.166 30.619 29.460 -0.012 0.000 1.373 337 W HN 0.416 nan 8.180 nan 0.000 0.507 338 N N 1.408 120.203 118.700 0.159 0.000 2.284 338 N HA 0.581 5.321 4.740 0.001 0.000 0.300 338 N C -1.677 173.889 175.510 0.093 0.000 1.047 338 N CA -0.634 52.469 53.050 0.090 0.000 0.821 338 N CB 1.393 39.894 38.487 0.023 0.000 1.337 338 N HN 0.196 nan 8.380 nan 0.000 0.482 339 c N 2.690 121.328 118.600 0.063 0.000 2.294 339 c HA 0.409 4.980 4.570 0.001 0.000 0.319 339 c C 0.215 174.324 174.090 0.031 0.000 1.164 339 c CA -1.104 55.255 56.329 0.050 0.000 1.497 339 c CB -1.217 41.316 42.510 0.038 0.000 2.061 339 c HN 0.587 nan 8.230 nan 0.000 0.438 340 L N 2.477 123.720 121.223 0.033 0.000 2.453 340 L HA 0.113 4.454 4.340 0.001 0.000 0.272 340 L C 1.453 178.330 176.870 0.011 0.000 1.182 340 L CA 0.144 54.995 54.840 0.019 0.000 0.858 340 L CB 0.553 42.626 42.059 0.023 0.000 1.120 340 L HN 0.565 nan 8.230 nan 0.000 0.474 341 V N 3.533 123.445 119.914 -0.005 0.000 3.305 341 V HA -0.116 4.005 4.120 0.001 0.000 0.269 341 V C 1.938 178.013 176.094 -0.031 0.000 1.157 341 V CA 1.779 64.069 62.300 -0.018 0.000 1.157 341 V CB 0.171 31.980 31.823 -0.023 0.000 0.772 341 V HN 0.949 nan 8.190 nan 0.000 0.498 342 A N -0.567 122.238 122.820 -0.025 0.000 2.275 342 A HA 0.178 4.498 4.320 0.001 0.000 0.212 342 A C 1.994 179.546 177.584 -0.053 0.000 1.201 342 A CA 0.171 52.183 52.037 -0.042 0.000 0.843 342 A CB -0.209 18.776 19.000 -0.025 0.000 0.873 342 A HN 0.527 nan 8.150 nan 0.000 0.492 343 R N -0.530 119.960 120.500 -0.017 0.000 2.472 343 R HA 0.184 4.525 4.340 0.001 0.000 0.279 343 R C 0.001 176.344 176.300 0.071 0.000 0.953 343 R CA -0.097 56.033 56.100 0.051 0.000 1.088 343 R CB 0.335 30.701 30.300 0.110 0.000 1.197 343 R HN 0.559 nan 8.270 nan 0.000 0.536 344 Q N -0.018 119.751 119.800 -0.052 0.000 2.312 344 Q HA 0.172 4.513 4.340 0.001 0.000 0.236 344 Q C -0.943 174.920 176.000 -0.228 0.000 0.965 344 Q CA 0.095 55.895 55.803 -0.005 0.000 0.894 344 Q CB 1.054 29.778 28.738 -0.024 0.000 1.225 344 Q HN 0.173 nan 8.270 nan 0.000 0.478 345 H N 0.206 119.273 119.070 -0.005 0.000 2.934 345 H HA 0.397 4.954 4.556 0.001 0.000 0.340 345 H C -1.049 174.240 175.328 -0.064 0.000 1.008 345 H CA -0.323 55.717 56.048 -0.013 0.000 1.317 345 H CB 0.866 30.615 29.762 -0.021 0.000 1.670 345 H HN 0.412 nan 8.280 nan 0.000 0.516 346 I N 2.027 122.605 120.570 0.014 0.000 2.488 346 I HA 0.296 4.467 4.170 0.001 0.000 0.299 346 I C 0.017 176.095 176.117 -0.066 0.000 0.984 346 I CA -0.394 60.845 61.300 -0.101 0.000 1.250 346 I CB 1.593 39.517 38.000 -0.127 0.000 1.389 346 I HN 0.606 nan 8.210 nan 0.000 0.488 347 E N 7.710 127.819 120.200 -0.152 0.000 2.260 347 E HA 0.581 4.931 4.350 0.001 0.000 0.266 347 E C -1.319 175.211 176.600 -0.118 0.000 0.887 347 E CA -0.740 55.615 56.400 -0.075 0.000 0.777 347 E CB 1.486 31.155 29.700 -0.051 0.000 1.205 347 E HN 0.657 nan 8.360 nan 0.000 0.414 348 M N 1.578 121.162 119.600 -0.026 0.000 2.745 348 M HA 0.709 5.189 4.480 0.001 0.000 0.290 348 M C -1.093 175.236 176.300 0.049 0.000 1.262 348 M CA -1.021 54.300 55.300 0.036 0.000 0.795 348 M CB 2.286 34.984 32.600 0.164 0.000 1.758 348 M HN 0.287 nan 8.290 nan 0.000 0.461 349 S N -0.626 115.109 115.700 0.060 0.000 2.572 349 S HA 0.506 4.976 4.470 0.001 0.000 0.274 349 S C -0.024 174.587 174.600 0.018 0.000 1.150 349 S CA 0.023 58.236 58.200 0.023 0.000 0.944 349 S CB 1.735 64.927 63.200 -0.012 0.000 1.071 349 S HN 0.937 nan 8.310 nan 0.000 0.479 350 T N -0.092 114.467 114.554 0.008 0.000 3.022 350 T HA 0.101 4.452 4.350 0.001 0.000 0.250 350 T C 1.356 176.047 174.700 -0.014 0.000 1.060 350 T CA 0.818 62.919 62.100 0.002 0.000 1.013 350 T CB -0.277 68.595 68.868 0.006 0.000 0.982 350 T HN 0.656 nan 8.240 nan 0.000 0.508 351 T N -1.885 112.661 114.554 -0.014 0.000 3.022 351 T HA 0.613 4.964 4.350 0.001 0.000 0.250 351 T C 1.119 175.743 174.700 -0.128 0.000 1.060 351 T CA 0.269 62.367 62.100 -0.003 0.000 1.013 351 T CB 0.523 69.426 68.868 0.059 0.000 0.982 351 T HN 0.614 nan 8.240 nan 0.000 0.508 352 G N 0.554 109.166 108.800 -0.313 0.000 2.635 352 G HA2 0.479 4.439 3.960 0.001 0.000 0.194 352 G HA3 0.479 4.439 3.960 0.001 0.000 0.194 352 G C -1.781 172.853 174.900 -0.444 0.000 1.198 352 G CA -0.579 44.035 45.100 -0.811 0.000 0.972 352 G HN 0.458 nan 8.290 nan 0.000 0.520 353 W N 0.076 121.137 121.300 -0.398 0.000 2.485 353 W HA 0.773 5.434 4.660 0.001 0.000 0.364 353 W C -0.375 176.115 176.519 -0.049 0.000 1.171 353 W CA -1.392 55.842 57.345 -0.186 0.000 1.304 353 W CB 0.767 30.078 29.460 -0.249 0.000 1.335 353 W HN 0.279 nan 8.180 nan 0.000 0.643 354 V N 3.205 123.224 119.914 0.176 0.000 2.498 354 V HA 0.633 4.753 4.120 0.001 0.000 0.279 354 V C 0.838 177.047 176.094 0.192 0.000 1.048 354 V CA 0.285 62.651 62.300 0.111 0.000 0.967 354 V CB 0.029 31.901 31.823 0.083 0.000 0.988 354 V HN 1.263 nan 8.190 nan 0.000 0.473 355 G N 4.838 113.709 108.800 0.118 0.000 2.797 355 G HA2 -0.217 3.743 3.960 0.001 0.000 0.686 355 G HA3 -0.217 3.743 3.960 0.001 0.000 0.686 355 G C 0.511 175.564 174.900 0.256 0.000 1.452 355 G CA 0.154 45.347 45.100 0.155 0.000 0.986 355 G HN 0.750 nan 8.290 nan 0.000 0.595 356 R N 0.443 121.068 120.500 0.209 0.000 2.134 356 R HA -0.176 4.165 4.340 0.001 0.000 0.248 356 R C 1.831 178.159 176.300 0.047 0.000 1.143 356 R CA 2.553 58.758 56.100 0.176 0.000 0.957 356 R CB -0.145 30.269 30.300 0.190 0.000 0.867 356 R HN 0.575 nan 8.270 nan 0.000 0.441 357 F N -1.640 118.471 119.950 0.268 0.000 2.729 357 F HA 0.214 4.741 4.527 0.001 0.000 0.304 357 F C 0.242 176.100 175.800 0.096 0.000 1.008 357 F CA -0.443 57.658 58.000 0.167 0.000 1.188 357 F CB 0.739 39.830 39.000 0.152 0.000 0.980 357 F HN -0.122 nan 8.300 nan 0.000 0.627 358 R N -0.815 119.854 120.500 0.281 0.000 2.664 358 R HA 0.450 4.791 4.340 0.001 0.000 0.266 358 R C -3.304 173.073 176.300 0.129 0.000 1.046 358 R CA -1.995 54.193 56.100 0.148 0.000 0.885 358 R CB 0.329 30.667 30.300 0.064 0.000 1.254 358 R HN -0.337 nan 8.270 nan 0.000 0.465 359 P HA -0.090 nan 4.420 nan 0.000 0.263 359 P C -0.164 177.155 177.300 0.032 0.000 1.168 359 P CA 0.358 63.481 63.100 0.039 0.000 0.759 359 P CB 0.579 32.270 31.700 -0.015 0.000 0.782 360 S N 1.932 117.658 115.700 0.043 0.000 2.596 360 S HA 0.166 4.636 4.470 0.001 0.000 0.260 360 S C 0.218 174.819 174.600 0.002 0.000 1.336 360 S CA -0.602 57.630 58.200 0.055 0.000 0.993 360 S CB 0.331 63.574 63.200 0.072 0.000 0.923 360 S HN 0.542 nan 8.310 nan 0.000 0.567 361 E N 0.734 120.961 120.200 0.045 0.000 2.248 361 E HA 0.498 4.848 4.350 0.001 0.000 0.272 361 E C -2.918 173.699 176.600 0.028 0.000 1.008 361 E CA -2.541 53.867 56.400 0.013 0.000 0.856 361 E CB 0.656 30.403 29.700 0.079 0.000 1.120 361 E HN 0.462 nan 8.360 nan 0.000 0.397 362 P HA 0.300 nan 4.420 nan 0.000 0.284 362 P C -0.871 176.428 177.300 -0.001 0.000 1.258 362 P CA -0.426 62.456 63.100 -0.364 0.000 0.824 362 P CB 0.868 31.763 31.700 -1.343 0.000 1.038 363 H N 1.867 120.857 119.070 -0.133 0.000 2.866 363 H HA 0.277 4.833 4.556 0.001 0.000 0.287 363 H C -0.114 175.323 175.328 0.182 0.000 1.106 363 H CA -0.452 55.659 56.048 0.105 0.000 1.396 363 H CB 0.301 30.168 29.762 0.175 0.000 1.469 363 H HN 0.293 nan 8.280 nan 0.000 0.500 364 F N 1.516 121.649 119.950 0.305 0.000 2.390 364 F HA 0.092 4.619 4.527 0.001 0.000 0.307 364 F C 1.519 177.515 175.800 0.327 0.000 1.227 364 F CA -0.330 57.874 58.000 0.341 0.000 1.179 364 F CB 0.672 39.804 39.000 0.219 0.000 1.280 364 F HN 0.302 nan 8.300 nan 0.000 0.548 365 T N -0.201 114.670 114.554 0.528 0.000 2.907 365 T HA 0.306 4.656 4.350 0.001 0.000 0.284 365 T C 0.923 175.807 174.700 0.307 0.000 1.004 365 T CA -0.810 61.521 62.100 0.384 0.000 1.063 365 T CB 1.412 70.494 68.868 0.357 0.000 0.992 365 T HN 0.560 nan 8.240 nan 0.000 0.483 366 L N 2.099 123.462 121.223 0.234 0.000 2.125 366 L HA -0.325 4.015 4.340 0.001 0.000 0.234 366 L C 2.129 179.099 176.870 0.166 0.000 1.110 366 L CA 3.022 57.970 54.840 0.180 0.000 0.832 366 L CB -0.975 41.171 42.059 0.145 0.000 0.922 366 L HN 1.003 nan 8.230 nan 0.000 0.449 367 D N -1.462 119.037 120.400 0.165 0.000 2.264 367 D HA 0.072 4.713 4.640 0.001 0.000 0.208 367 D C 1.476 177.868 176.300 0.155 0.000 0.966 367 D CA 0.945 55.031 54.000 0.143 0.000 0.864 367 D CB -0.574 40.304 40.800 0.131 0.000 0.933 367 D HN 0.623 nan 8.370 nan 0.000 0.499 368 G N 0.176 109.104 108.800 0.214 0.000 2.212 368 G HA2 -0.266 3.694 3.960 0.001 0.000 0.255 368 G HA3 -0.266 3.694 3.960 0.001 0.000 0.255 368 G C 0.400 175.468 174.900 0.279 0.000 1.062 368 G CA 0.209 45.455 45.100 0.243 0.000 0.815 368 G HN 0.367 nan 8.290 nan 0.000 0.497 369 N N -0.289 118.573 118.700 0.269 0.000 2.171 369 N HA 0.246 4.986 4.740 0.001 0.000 0.212 369 N C 0.457 176.063 175.510 0.161 0.000 1.184 369 N CA 0.830 54.003 53.050 0.205 0.000 0.888 369 N CB 1.101 39.672 38.487 0.140 0.000 1.038 369 N HN 1.081 nan 8.380 nan 0.000 0.517 370 S N 0.097 115.924 115.700 0.212 0.000 2.548 370 S HA 0.657 5.128 4.470 0.001 0.000 0.278 370 S C -1.057 173.601 174.600 0.096 0.000 1.150 370 S CA -0.936 57.243 58.200 -0.034 0.000 0.907 370 S CB 0.784 63.990 63.200 0.010 0.000 1.108 370 S HN 0.108 nan 8.310 nan 0.000 0.459 371 F N -0.243 119.578 119.950 -0.215 0.000 2.650 371 F HA 0.891 5.418 4.527 0.001 0.000 0.320 371 F C -1.968 173.681 175.800 -0.252 0.000 1.091 371 F CA -1.674 56.175 58.000 -0.253 0.000 0.962 371 F CB 0.624 39.069 39.000 -0.924 0.000 1.363 371 F HN 0.553 nan 8.300 nan 0.000 0.482 372 Y N 1.184 121.699 120.300 0.359 0.000 2.335 372 Y HA 0.590 5.141 4.550 0.001 0.000 0.338 372 Y C -0.245 175.788 175.900 0.221 0.000 0.977 372 Y CA -0.823 57.436 58.100 0.265 0.000 1.114 372 Y CB 1.934 40.469 38.460 0.125 0.000 1.182 372 Y HN 0.727 nan 8.280 nan 0.000 0.463 373 K N 3.762 124.362 120.400 0.333 0.000 2.464 373 K HA 0.581 4.902 4.320 0.001 0.000 0.253 373 K C -1.570 175.112 176.600 0.136 0.000 0.933 373 K CA -0.555 55.831 56.287 0.165 0.000 0.801 373 K CB 1.562 34.107 32.500 0.075 0.000 1.271 373 K HN 0.737 nan 8.250 nan 0.000 0.430 374 I N 6.173 126.788 120.570 0.075 0.000 2.441 374 I HA 0.286 4.456 4.170 0.001 0.000 0.287 374 I C 0.129 176.309 176.117 0.106 0.000 1.049 374 I CA -0.472 60.881 61.300 0.089 0.000 1.381 374 I CB 0.567 38.607 38.000 0.067 0.000 1.409 374 I HN 0.577 nan 8.210 nan 0.000 0.523 375 I N 1.965 122.631 120.570 0.160 0.000 3.004 375 I HA 0.399 4.569 4.170 0.001 0.000 0.305 375 I C -0.423 175.823 176.117 0.215 0.000 1.312 375 I CA -0.822 60.576 61.300 0.165 0.000 0.992 375 I CB 2.101 40.209 38.000 0.180 0.000 1.282 375 I HN 0.400 nan 8.210 nan 0.000 0.449 376 S N 2.823 118.588 115.700 0.108 0.000 2.505 376 S HA 0.242 4.713 4.470 0.001 0.000 0.276 376 S C 0.204 174.850 174.600 0.077 0.000 1.274 376 S CA -0.410 57.803 58.200 0.022 0.000 1.053 376 S CB -0.035 63.103 63.200 -0.103 0.000 0.919 376 S HN 0.830 nan 8.310 nan 0.000 0.490 377 N N 4.303 122.938 118.700 -0.108 0.000 2.285 377 N HA 0.107 4.847 4.740 0.001 0.000 0.278 377 N C 0.760 176.177 175.510 -0.156 0.000 1.289 377 N CA -0.036 52.790 53.050 -0.373 0.000 0.934 377 N CB -0.181 37.791 38.487 -0.859 0.000 1.048 377 N HN 0.606 nan 8.380 nan 0.000 0.499 378 E N -0.668 119.419 120.200 -0.188 0.000 2.285 378 E HA -0.071 4.280 4.350 0.001 0.000 0.194 378 E C 0.795 177.349 176.600 -0.076 0.000 0.997 378 E CA 0.717 57.060 56.400 -0.095 0.000 0.845 378 E CB -0.121 29.526 29.700 -0.089 0.000 0.782 378 E HN 0.603 nan 8.360 nan 0.000 0.491 379 E N -0.259 119.900 120.200 -0.068 0.000 2.489 379 E HA 0.096 4.446 4.350 0.001 0.000 0.193 379 E C 1.105 177.747 176.600 0.071 0.000 1.057 379 E CA 0.562 56.983 56.400 0.035 0.000 0.866 379 E CB 0.240 29.982 29.700 0.071 0.000 0.916 379 E HN 0.272 nan 8.360 nan 0.000 0.500 380 G N 1.123 109.899 108.800 -0.041 0.000 2.142 380 G HA2 -0.270 3.691 3.960 0.001 0.000 0.225 380 G HA3 -0.270 3.691 3.960 0.001 0.000 0.225 380 G C -0.643 174.069 174.900 -0.314 0.000 1.015 380 G CA -0.192 44.785 45.100 -0.205 0.000 0.716 380 G HN 0.191 nan 8.290 nan 0.000 0.508 381 Y N 0.016 120.172 120.300 -0.240 0.000 2.328 381 Y HA 0.628 5.178 4.550 0.001 0.000 0.333 381 Y C 0.926 176.628 175.900 -0.329 0.000 0.958 381 Y CA -1.219 56.707 58.100 -0.290 0.000 1.167 381 Y CB 1.163 39.440 38.460 -0.305 0.000 1.151 381 Y HN 0.168 nan 8.280 nan 0.000 0.470 382 R N 3.552 123.936 120.500 -0.193 0.000 2.458 382 R HA 0.192 4.533 4.340 0.001 0.000 0.303 382 R C -0.322 175.782 176.300 -0.328 0.000 1.013 382 R CA 0.444 56.462 56.100 -0.137 0.000 1.026 382 R CB -0.032 30.230 30.300 -0.063 0.000 0.948 382 R HN 0.644 nan 8.270 nan 0.000 0.417 383 H N 1.367 120.442 119.070 0.008 0.000 3.043 383 H HA 0.422 4.979 4.556 0.001 0.000 0.302 383 H C -0.179 175.201 175.328 0.086 0.000 1.506 383 H CA -0.898 55.116 56.048 -0.057 0.000 1.282 383 H CB 1.269 30.909 29.762 -0.204 0.000 1.914 383 H HN 0.279 nan 8.280 nan 0.000 0.625 384 I N 1.482 122.155 120.570 0.172 0.000 2.304 384 I HA 0.130 4.300 4.170 0.001 0.000 0.291 384 I C 0.190 176.326 176.117 0.033 0.000 1.018 384 I CA -0.177 61.162 61.300 0.065 0.000 1.260 384 I CB 0.624 38.574 38.000 -0.083 0.000 1.390 384 I HN 0.098 nan 8.210 nan 0.000 0.475 385 c N 6.960 125.494 118.600 -0.110 0.000 2.366 385 c HA 0.441 5.012 4.570 0.001 0.000 0.345 385 c C -0.295 173.618 174.090 -0.294 0.000 1.209 385 c CA -0.354 55.666 56.329 -0.514 0.000 2.050 385 c CB 1.024 42.914 42.510 -1.033 0.000 2.359 385 c HN 0.644 nan 8.230 nan 0.000 0.527 386 Y N 3.901 123.805 120.300 -0.661 0.000 2.331 386 Y HA 0.661 5.212 4.550 0.001 0.000 0.338 386 Y C -1.097 174.258 175.900 -0.909 0.000 0.992 386 Y CA -1.077 56.576 58.100 -0.746 0.000 1.121 386 Y CB 0.408 38.508 38.460 -0.601 0.000 1.184 386 Y HN 0.623 nan 8.280 nan 0.000 0.469 387 F N 4.155 123.242 119.950 -1.438 0.000 2.495 387 F HA 0.436 4.964 4.527 0.001 0.000 0.327 387 F C -0.199 174.795 175.800 -1.344 0.000 1.103 387 F CA -0.918 56.248 58.000 -1.390 0.000 0.949 387 F CB 1.861 39.764 39.000 -1.829 0.000 1.142 387 F HN 0.352 nan 8.300 nan 0.000 0.457 388 Q N 2.746 122.141 119.800 -0.674 0.000 2.257 388 Q HA 0.336 4.676 4.340 0.001 0.000 0.255 388 Q C 1.207 177.119 176.000 -0.148 0.000 0.920 388 Q CA -0.294 55.279 55.803 -0.384 0.000 0.927 388 Q CB 1.435 30.028 28.738 -0.242 0.000 1.229 388 Q HN 0.754 nan 8.270 nan 0.000 0.433 389 I N 0.196 120.751 120.570 -0.024 0.000 2.502 389 I HA -0.191 3.980 4.170 0.001 0.000 0.258 389 I C 0.219 176.515 176.117 0.298 0.000 1.172 389 I CA 1.649 63.053 61.300 0.174 0.000 1.430 389 I CB 0.066 38.211 38.000 0.242 0.000 1.086 389 I HN 0.537 nan 8.210 nan 0.000 0.440 390 D N 0.033 120.523 120.400 0.150 0.000 2.740 390 D HA 0.177 4.818 4.640 0.001 0.000 0.301 390 D C -0.270 176.037 176.300 0.012 0.000 1.408 390 D CA -0.316 53.732 54.000 0.080 0.000 0.808 390 D CB 0.232 41.063 40.800 0.051 0.000 1.128 390 D HN 0.153 nan 8.370 nan 0.000 0.465 391 K N 1.505 121.923 120.400 0.030 0.000 2.521 391 K HA 0.219 4.540 4.320 0.001 0.000 0.248 391 K C 1.119 177.698 176.600 -0.035 0.000 0.978 391 K CA -0.590 55.677 56.287 -0.033 0.000 0.947 391 K CB 1.952 34.405 32.500 -0.078 0.000 1.165 391 K HN -0.194 nan 8.250 nan 0.000 0.445 392 K N 0.578 120.931 120.400 -0.079 0.000 2.107 392 K HA -0.150 4.170 4.320 0.001 0.000 0.211 392 K C 0.183 176.761 176.600 -0.037 0.000 1.049 392 K CA 1.585 57.827 56.287 -0.076 0.000 0.927 392 K CB 0.017 32.471 32.500 -0.076 0.000 0.714 392 K HN 0.573 nan 8.250 nan 0.000 0.452 393 D N 0.182 120.527 120.400 -0.092 0.000 2.253 393 D HA 0.140 4.781 4.640 0.001 0.000 0.249 393 D C 0.566 176.664 176.300 -0.337 0.000 1.049 393 D CA -0.370 53.536 54.000 -0.156 0.000 0.929 393 D CB 1.274 41.995 40.800 -0.132 0.000 1.176 393 D HN 0.224 nan 8.370 nan 0.000 0.437 394 c N -0.582 117.674 118.600 -0.574 0.000 2.451 394 c HA 0.858 5.429 4.570 0.001 0.000 0.391 394 c C 0.034 173.725 174.090 -0.663 0.000 1.286 394 c CA -0.480 55.223 56.329 -1.044 0.000 1.935 394 c CB 1.128 42.349 42.510 -2.149 0.000 2.188 394 c HN 0.503 nan 8.230 nan 0.000 0.523 395 T N 1.393 115.573 114.554 -0.624 0.000 2.890 395 T HA 0.472 4.823 4.350 0.001 0.000 0.295 395 T C -0.755 173.754 174.700 -0.318 0.000 0.993 395 T CA 0.125 62.041 62.100 -0.308 0.000 0.979 395 T CB 0.387 69.205 68.868 -0.084 0.000 0.967 395 T HN 0.495 nan 8.240 nan 0.000 0.441 396 F N 2.913 122.742 119.950 -0.201 0.000 2.506 396 F HA 0.274 4.802 4.527 0.001 0.000 0.351 396 F C 1.612 177.241 175.800 -0.284 0.000 1.136 396 F CA -0.515 57.355 58.000 -0.216 0.000 1.298 396 F CB 0.521 39.398 39.000 -0.206 0.000 1.145 396 F HN 0.577 nan 8.300 nan 0.000 0.593 397 I N -0.411 120.041 120.570 -0.197 0.000 3.947 397 I HA 0.358 4.528 4.170 0.001 0.000 0.327 397 I C -0.471 175.472 176.117 -0.289 0.000 1.519 397 I CA -0.059 60.927 61.300 -0.524 0.000 1.122 397 I CB -0.008 37.362 38.000 -1.049 0.000 1.146 397 I HN 0.518 nan 8.210 nan 0.000 0.442 398 T N -0.743 113.675 114.554 -0.226 0.000 2.840 398 T HA 0.657 5.008 4.350 0.001 0.000 0.317 398 T C -1.023 173.180 174.700 -0.828 0.000 1.401 398 T CA -0.733 61.161 62.100 -0.344 0.000 1.028 398 T CB 2.517 71.258 68.868 -0.212 0.000 1.317 398 T HN 0.503 nan 8.240 nan 0.000 0.495 399 K N -0.056 119.722 120.400 -1.036 0.000 2.607 399 K HA 0.841 5.161 4.320 0.001 0.000 0.287 399 K C -0.394 175.664 176.600 -0.904 0.000 0.996 399 K CA -0.827 54.732 56.287 -1.213 0.000 0.876 399 K CB 1.381 33.520 32.500 -0.601 0.000 1.496 399 K HN 1.689 nan 8.250 nan 0.000 0.415 400 G N -0.186 108.153 108.800 -0.768 0.000 2.369 400 G HA2 0.138 4.099 3.960 0.001 0.000 0.307 400 G HA3 0.138 4.099 3.960 0.001 0.000 0.307 400 G C -0.970 173.504 174.900 -0.711 0.000 1.327 400 G CA -0.392 44.419 45.100 -0.481 0.000 0.963 400 G HN 0.878 nan 8.290 nan 0.000 0.590 401 T N -0.226 114.070 114.554 -0.429 0.000 3.389 401 T HA 0.567 4.918 4.350 0.001 0.000 0.238 401 T C 0.187 174.872 174.700 -0.025 0.000 1.178 401 T CA 0.250 61.917 62.100 -0.722 0.000 1.117 401 T CB -0.854 67.846 68.868 -0.281 0.000 1.177 401 T HN 1.241 nan 8.240 nan 0.000 0.653 402 W N -0.197 121.064 121.300 -0.064 0.000 2.874 402 W HA 0.731 5.391 4.660 0.001 0.000 0.403 402 W C -1.359 175.184 176.519 0.040 0.000 1.144 402 W CA -1.062 56.347 57.345 0.108 0.000 1.175 402 W CB 0.743 30.224 29.460 0.035 0.000 1.483 402 W HN 0.155 nan 8.180 nan 0.000 0.591 403 E N 0.256 120.667 120.200 0.353 0.000 2.433 403 E HA 0.478 4.829 4.350 0.001 0.000 0.278 403 E C -1.524 175.232 176.600 0.260 0.000 0.976 403 E CA -1.078 55.293 56.400 -0.047 0.000 0.793 403 E CB 3.091 32.778 29.700 -0.021 0.000 1.311 403 E HN 0.160 nan 8.360 nan 0.000 0.460 404 V N 2.763 122.717 119.914 0.067 0.000 2.407 404 V HA 0.110 4.231 4.120 0.001 0.000 0.278 404 V C 0.974 177.169 176.094 0.169 0.000 1.037 404 V CA -0.386 62.041 62.300 0.211 0.000 0.900 404 V CB 0.972 32.856 31.823 0.101 0.000 0.983 404 V HN 0.660 nan 8.190 nan 0.000 0.459 405 I N 2.814 123.495 120.570 0.186 0.000 2.333 405 I HA 0.251 4.422 4.170 0.001 0.000 0.246 405 I C 1.125 177.338 176.117 0.161 0.000 1.106 405 I CA 1.131 62.517 61.300 0.145 0.000 1.411 405 I CB -0.846 37.182 38.000 0.046 0.000 1.082 405 I HN 0.772 nan 8.210 nan 0.000 0.420 406 G N 0.700 109.606 108.800 0.177 0.000 2.655 406 G HA2 0.474 4.435 3.960 0.001 0.000 0.296 406 G HA3 0.474 4.435 3.960 0.001 0.000 0.296 406 G C -1.084 173.916 174.900 0.167 0.000 1.485 406 G CA -0.644 44.551 45.100 0.158 0.000 0.869 406 G HN -0.021 nan 8.290 nan 0.000 0.540 407 I N 2.026 122.621 120.570 0.042 0.000 2.436 407 I HA 0.130 4.300 4.170 0.001 0.000 0.289 407 I C 0.934 177.122 176.117 0.119 0.000 1.083 407 I CA -0.352 60.925 61.300 -0.038 0.000 1.372 407 I CB 1.325 38.999 38.000 -0.542 0.000 1.408 407 I HN 0.482 nan 8.210 nan 0.000 0.516 408 E N 5.069 125.382 120.200 0.189 0.000 2.166 408 E HA 0.253 4.604 4.350 0.001 0.000 0.192 408 E C 0.259 176.890 176.600 0.052 0.000 0.967 408 E CA 0.334 56.846 56.400 0.187 0.000 0.840 408 E CB 0.474 30.308 29.700 0.223 0.000 0.795 408 E HN 0.709 nan 8.360 nan 0.000 0.470 409 A N 0.436 123.232 122.820 -0.040 0.000 2.594 409 A HA 0.529 4.850 4.320 0.001 0.000 0.296 409 A C -1.905 175.696 177.584 0.027 0.000 1.061 409 A CA -0.678 51.252 52.037 -0.179 0.000 0.689 409 A CB 1.126 19.573 19.000 -0.922 0.000 1.280 409 A HN 0.045 nan 8.150 nan 0.000 0.406 410 L N 2.067 123.329 121.223 0.065 0.000 2.333 410 L HA 0.809 5.149 4.340 0.001 0.000 0.280 410 L C 0.434 177.367 176.870 0.105 0.000 1.004 410 L CA 0.392 55.296 54.840 0.107 0.000 0.820 410 L CB 1.630 43.785 42.059 0.160 0.000 1.247 410 L HN 1.034 nan 8.230 nan 0.000 0.416 411 T N -0.075 114.568 114.554 0.148 0.000 2.919 411 T HA 0.412 4.763 4.350 0.001 0.000 0.282 411 T C 0.974 175.754 174.700 0.133 0.000 1.020 411 T CA 0.021 62.215 62.100 0.156 0.000 0.994 411 T CB 1.132 70.154 68.868 0.257 0.000 1.180 411 T HN 0.567 nan 8.240 nan 0.000 0.566 412 S N -1.191 114.584 115.700 0.126 0.000 2.562 412 S HA 0.057 4.527 4.470 0.001 0.000 0.221 412 S C 0.623 175.267 174.600 0.072 0.000 0.975 412 S CA 0.273 58.533 58.200 0.099 0.000 0.918 412 S CB -0.260 62.993 63.200 0.089 0.000 0.772 412 S HN 0.690 nan 8.310 nan 0.000 0.531 413 D N -0.879 119.592 120.400 0.118 0.000 2.479 413 D HA 0.290 4.930 4.640 0.001 0.000 0.216 413 D C -0.881 175.315 176.300 -0.174 0.000 1.110 413 D CA 0.352 54.377 54.000 0.042 0.000 0.841 413 D CB 0.696 41.637 40.800 0.235 0.000 1.040 413 D HN 0.354 nan 8.370 nan 0.000 0.505 414 Y N -0.182 120.082 120.300 -0.059 0.000 2.625 414 Y HA 0.456 5.006 4.550 0.001 0.000 0.338 414 Y C -0.895 174.879 175.900 -0.209 0.000 1.123 414 Y CA -0.941 57.043 58.100 -0.192 0.000 1.046 414 Y CB 1.994 40.218 38.460 -0.394 0.000 1.299 414 Y HN -0.301 nan 8.280 nan 0.000 0.464 415 L N 1.983 123.117 121.223 -0.148 0.000 2.356 415 L HA 0.630 4.970 4.340 0.001 0.000 0.277 415 L C -1.927 174.903 176.870 -0.066 0.000 0.996 415 L CA -0.612 54.152 54.840 -0.127 0.000 0.822 415 L CB 1.073 42.936 42.059 -0.325 0.000 1.256 415 L HN 0.622 nan 8.230 nan 0.000 0.413 416 Y N 4.771 125.082 120.300 0.018 0.000 2.341 416 Y HA 0.581 5.131 4.550 0.001 0.000 0.337 416 Y C -0.478 175.513 175.900 0.152 0.000 1.014 416 Y CA -0.336 57.768 58.100 0.006 0.000 1.111 416 Y CB 1.411 39.721 38.460 -0.250 0.000 1.194 416 Y HN 0.529 nan 8.280 nan 0.000 0.462 417 Y N 0.055 120.447 120.300 0.154 0.000 2.638 417 Y HA 0.775 5.326 4.550 0.001 0.000 0.335 417 Y C -1.819 174.195 175.900 0.189 0.000 1.155 417 Y CA -1.785 56.402 58.100 0.143 0.000 1.046 417 Y CB 1.197 39.721 38.460 0.105 0.000 1.303 417 Y HN 0.371 nan 8.280 nan 0.000 0.460 418 I N 2.956 123.685 120.570 0.265 0.000 2.441 418 I HA 0.645 4.815 4.170 0.001 0.000 0.295 418 I C -0.367 175.915 176.117 0.276 0.000 0.994 418 I CA -0.528 60.876 61.300 0.174 0.000 1.144 418 I CB 2.071 40.133 38.000 0.102 0.000 1.314 418 I HN 0.901 nan 8.210 nan 0.000 0.445 419 S N 3.638 119.472 115.700 0.223 0.000 2.705 419 S HA 0.430 4.900 4.470 0.001 0.000 0.280 419 S C -0.708 173.932 174.600 0.067 0.000 1.174 419 S CA -0.837 57.483 58.200 0.199 0.000 0.823 419 S CB 1.888 65.231 63.200 0.240 0.000 1.162 419 S HN 0.665 nan 8.310 nan 0.000 0.487 420 N N -0.339 118.393 118.700 0.054 0.000 2.467 420 N HA 0.138 4.879 4.740 0.001 0.000 0.278 420 N C 0.341 175.823 175.510 -0.047 0.000 1.306 420 N CA -0.203 52.839 53.050 -0.014 0.000 0.905 420 N CB 0.355 38.820 38.487 -0.037 0.000 1.236 420 N HN 0.890 nan 8.380 nan 0.000 0.509 421 E N -0.209 119.842 120.200 -0.247 0.000 2.158 421 E HA -0.145 4.206 4.350 0.001 0.000 0.191 421 E C -0.318 176.170 176.600 -0.187 0.000 0.982 421 E CA -0.145 55.938 56.400 -0.527 0.000 0.823 421 E CB -0.078 28.685 29.700 -1.561 0.000 0.766 421 E HN 0.289 nan 8.360 nan 0.000 0.468 422 Y N 2.527 122.739 120.300 -0.146 0.000 2.717 422 Y HA -0.083 4.468 4.550 0.001 0.000 0.330 422 Y C 0.513 176.378 175.900 -0.058 0.000 1.217 422 Y CA 0.529 58.596 58.100 -0.055 0.000 1.506 422 Y CB 0.229 38.692 38.460 0.005 0.000 1.268 422 Y HN 0.099 nan 8.280 nan 0.000 0.561 423 K N 3.394 123.517 120.400 -0.462 0.000 3.086 423 K HA -0.293 4.028 4.320 0.001 0.000 0.288 423 K C 1.004 177.512 176.600 -0.153 0.000 1.127 423 K CA 0.908 56.944 56.287 -0.418 0.000 0.854 423 K CB -1.677 30.465 32.500 -0.597 0.000 1.213 423 K HN 1.250 nan 8.250 nan 0.000 0.456 424 G N 0.368 109.113 108.800 -0.092 0.000 2.180 424 G HA2 -0.347 3.613 3.960 0.001 0.000 0.263 424 G HA3 -0.347 3.613 3.960 0.001 0.000 0.263 424 G C 0.071 174.961 174.900 -0.017 0.000 0.989 424 G CA 0.958 46.049 45.100 -0.014 0.000 0.692 424 G HN 0.351 nan 8.290 nan 0.000 0.526 425 M N 1.276 120.784 119.600 -0.152 0.000 2.135 425 M HA 0.286 4.766 4.480 0.001 0.000 0.345 425 M C -0.630 175.390 176.300 -0.468 0.000 1.340 425 M CA -1.822 53.180 55.300 -0.496 0.000 1.162 425 M CB 1.281 33.613 32.600 -0.446 0.000 1.570 425 M HN -0.066 nan 8.290 nan 0.000 0.454 426 P HA -0.119 nan 4.420 nan 0.000 0.221 426 P C 1.066 178.198 177.300 -0.279 0.000 1.145 426 P CA 1.328 64.249 63.100 -0.297 0.000 0.795 426 P CB 0.066 31.625 31.700 -0.234 0.000 0.775 427 G N -0.430 108.118 108.800 -0.421 0.000 3.124 427 G HA2 0.238 4.199 3.960 0.001 0.000 0.212 427 G HA3 0.238 4.199 3.960 0.001 0.000 0.212 427 G C 0.724 175.552 174.900 -0.121 0.000 1.181 427 G CA 0.119 45.098 45.100 -0.203 0.000 0.803 427 G HN 0.453 nan 8.290 nan 0.000 0.529 428 G N -0.329 108.355 108.800 -0.193 0.000 2.434 428 G HA2 0.640 4.601 3.960 0.001 0.000 0.330 428 G HA3 0.640 4.601 3.960 0.001 0.000 0.330 428 G C -0.773 173.965 174.900 -0.271 0.000 1.155 428 G CA -0.748 44.258 45.100 -0.156 0.000 0.917 428 G HN 0.073 nan 8.290 nan 0.000 0.493 429 R N 0.880 121.181 120.500 -0.331 0.000 2.621 429 R HA 0.481 4.822 4.340 0.001 0.000 0.284 429 R C -1.199 175.073 176.300 -0.047 0.000 0.998 429 R CA -0.822 55.075 56.100 -0.338 0.000 0.895 429 R CB 2.092 31.918 30.300 -0.790 0.000 1.195 429 R HN 0.626 nan 8.270 nan 0.000 0.450 430 N N 1.663 120.374 118.700 0.017 0.000 2.367 430 N HA 0.236 4.977 4.740 0.001 0.000 0.278 430 N C -1.371 174.039 175.510 -0.167 0.000 1.117 430 N CA -0.751 52.271 53.050 -0.047 0.000 0.867 430 N CB 2.778 41.189 38.487 -0.127 0.000 1.649 430 N HN 0.238 nan 8.380 nan 0.000 0.479 431 L N 2.278 123.261 121.223 -0.399 0.000 2.371 431 L HA 0.475 4.816 4.340 0.001 0.000 0.272 431 L C -1.308 175.117 176.870 -0.743 0.000 1.124 431 L CA 0.227 54.835 54.840 -0.388 0.000 0.816 431 L CB 0.016 41.868 42.059 -0.345 0.000 1.129 431 L HN 0.431 nan 8.230 nan 0.000 0.448 432 Y N 2.836 122.780 120.300 -0.593 0.000 2.576 432 Y HA 0.605 5.155 4.550 0.001 0.000 0.346 432 Y C -0.642 174.916 175.900 -0.570 0.000 1.018 432 Y CA -0.937 56.747 58.100 -0.694 0.000 1.050 432 Y CB 1.723 39.496 38.460 -1.144 0.000 1.280 432 Y HN 0.548 nan 8.280 nan 0.000 0.474 433 K N 2.244 122.517 120.400 -0.212 0.000 2.482 433 K HA 0.718 5.038 4.320 0.001 0.000 0.251 433 K C -1.913 174.716 176.600 0.048 0.000 0.936 433 K CA -0.683 55.447 56.287 -0.262 0.000 0.791 433 K CB 2.655 34.822 32.500 -0.556 0.000 1.213 433 K HN 0.742 nan 8.250 nan 0.000 0.428 434 I N 2.308 122.946 120.570 0.114 0.000 2.433 434 I HA 0.181 4.351 4.170 0.001 0.000 0.292 434 I C -0.764 175.303 176.117 -0.082 0.000 1.001 434 I CA -0.787 60.582 61.300 0.115 0.000 1.119 434 I CB 1.993 40.093 38.000 0.167 0.000 1.289 434 I HN 0.866 nan 8.210 nan 0.000 0.438 435 Q N 6.320 126.016 119.800 -0.173 0.000 2.300 435 Q HA 0.155 4.495 4.340 0.001 0.000 0.262 435 Q C 0.627 176.492 176.000 -0.224 0.000 1.109 435 Q CA -0.135 55.386 55.803 -0.469 0.000 0.905 435 Q CB 0.973 29.499 28.738 -0.354 0.000 1.280 435 Q HN 0.823 nan 8.270 nan 0.000 0.426 436 L N 2.214 123.283 121.223 -0.256 0.000 2.129 436 L HA -0.274 4.067 4.340 0.001 0.000 0.212 436 L C 2.272 179.007 176.870 -0.224 0.000 1.087 436 L CA 1.612 56.417 54.840 -0.058 0.000 0.757 436 L CB -0.407 41.587 42.059 -0.107 0.000 0.896 436 L HN 0.651 nan 8.230 nan 0.000 0.434 437 S N -2.320 113.214 115.700 -0.275 0.000 2.461 437 S HA -0.072 4.399 4.470 0.001 0.000 0.228 437 S C 0.596 174.971 174.600 -0.375 0.000 1.005 437 S CA 0.401 58.425 58.200 -0.295 0.000 0.942 437 S CB -0.004 63.075 63.200 -0.201 0.000 0.776 437 S HN 0.382 nan 8.310 nan 0.000 0.514 438 D N -0.114 120.084 120.400 -0.336 0.000 2.323 438 D HA 0.267 4.908 4.640 0.001 0.000 0.242 438 D C -0.600 175.638 176.300 -0.104 0.000 1.347 438 D CA -0.708 53.130 54.000 -0.271 0.000 0.988 438 D CB 0.234 40.942 40.800 -0.153 0.000 1.314 438 D HN -0.012 nan 8.370 nan 0.000 0.564 439 Y N 1.270 121.526 120.300 -0.073 0.000 2.716 439 Y HA -0.018 4.533 4.550 0.001 0.000 0.302 439 Y C 2.203 178.089 175.900 -0.024 0.000 1.160 439 Y CA 1.114 59.183 58.100 -0.051 0.000 1.362 439 Y CB -0.896 37.538 38.460 -0.043 0.000 0.988 439 Y HN 0.394 nan 8.280 nan 0.000 0.546 440 T N -4.119 110.495 114.554 0.100 0.000 3.054 440 T HA 0.145 4.495 4.350 0.001 0.000 0.255 440 T C 0.548 175.280 174.700 0.054 0.000 1.035 440 T CA -0.293 61.847 62.100 0.067 0.000 0.941 440 T CB 0.145 69.032 68.868 0.032 0.000 1.026 440 T HN -0.143 nan 8.240 nan 0.000 0.533 441 K N 2.401 122.829 120.400 0.047 0.000 2.360 441 K HA 0.531 4.852 4.320 0.001 0.000 0.235 441 K C -1.133 175.511 176.600 0.073 0.000 1.077 441 K CA -0.281 56.030 56.287 0.040 0.000 1.035 441 K CB 1.352 33.851 32.500 -0.002 0.000 1.623 441 K HN 0.172 nan 8.250 nan 0.000 0.462 442 V N 1.893 121.865 119.914 0.098 0.000 2.459 442 V HA 0.379 4.499 4.120 0.001 0.000 0.295 442 V C -0.086 176.075 176.094 0.112 0.000 1.029 442 V CA -0.529 61.853 62.300 0.138 0.000 0.874 442 V CB 2.044 33.975 31.823 0.181 0.000 0.985 442 V HN 0.518 nan 8.190 nan 0.000 0.438 443 T N 3.178 117.784 114.554 0.085 0.000 2.809 443 T HA 0.232 4.582 4.350 0.001 0.000 0.284 443 T C -0.404 174.218 174.700 -0.130 0.000 0.992 443 T CA -0.298 61.800 62.100 -0.003 0.000 0.957 443 T CB 1.122 69.977 68.868 -0.021 0.000 0.942 443 T HN 0.751 nan 8.240 nan 0.000 0.439 444 C N 5.026 124.184 119.300 -0.237 0.000 2.576 444 C HA 0.380 4.840 4.460 0.001 0.000 0.401 444 C C 1.564 176.245 174.990 -0.515 0.000 1.314 444 C CA -0.517 58.087 59.018 -0.691 0.000 1.855 444 C CB -1.710 25.572 27.740 -0.763 0.000 2.537 444 C HN 0.980 nan 8.230 nan 0.000 0.578 445 L N 4.977 125.862 121.223 -0.564 0.000 2.607 445 L HA 0.136 4.477 4.340 0.001 0.000 0.228 445 L C 1.850 178.442 176.870 -0.464 0.000 1.123 445 L CA 0.564 55.170 54.840 -0.390 0.000 0.890 445 L CB -0.283 41.593 42.059 -0.305 0.000 1.103 445 L HN 0.896 nan 8.230 nan 0.000 0.468 446 S N -3.752 111.568 115.700 -0.633 0.000 2.691 446 S HA -0.018 4.452 4.470 0.001 0.000 0.258 446 S C 1.749 176.014 174.600 -0.559 0.000 1.078 446 S CA 0.034 57.778 58.200 -0.761 0.000 1.000 446 S CB -0.278 62.121 63.200 -1.334 0.000 0.942 446 S HN 0.270 nan 8.310 nan 0.000 0.521 447 C N 2.329 121.270 119.300 -0.598 0.000 2.369 447 C HA -0.118 4.343 4.460 0.001 0.000 0.273 447 C C 2.608 177.392 174.990 -0.343 0.000 1.172 447 C CA 1.911 60.524 59.018 -0.675 0.000 1.791 447 C CB -1.086 25.949 27.740 -1.175 0.000 2.086 447 C HN 0.634 nan 8.230 nan 0.000 0.459 448 E N -0.162 119.885 120.200 -0.255 0.000 2.452 448 E HA 0.152 4.503 4.350 0.001 0.000 0.197 448 E C 1.996 178.573 176.600 -0.039 0.000 1.022 448 E CA -0.021 56.322 56.400 -0.094 0.000 0.890 448 E CB -0.277 29.375 29.700 -0.081 0.000 0.918 448 E HN 0.556 nan 8.360 nan 0.000 0.496 449 L N 0.380 121.567 121.223 -0.059 0.000 2.151 449 L HA -0.173 4.167 4.340 0.001 0.000 0.215 449 L C 0.878 177.775 176.870 0.044 0.000 1.084 449 L CA 1.126 55.963 54.840 -0.004 0.000 0.764 449 L CB -0.221 41.834 42.059 -0.006 0.000 0.891 449 L HN 0.172 nan 8.230 nan 0.000 0.435 450 N N -1.768 116.977 118.700 0.075 0.000 3.286 450 N HA 0.028 4.768 4.740 0.001 0.000 0.169 450 N C -2.044 173.512 175.510 0.077 0.000 1.375 450 N CA -0.428 52.661 53.050 0.064 0.000 1.093 450 N CB 0.511 39.031 38.487 0.055 0.000 1.659 450 N HN -0.156 nan 8.380 nan 0.000 0.629 451 P HA -0.179 nan 4.420 nan 0.000 0.219 451 P C 0.647 177.995 177.300 0.081 0.000 1.145 451 P CA 1.387 64.562 63.100 0.124 0.000 0.813 451 P CB 0.632 32.416 31.700 0.140 0.000 0.771 452 E N -0.736 119.490 120.200 0.043 0.000 2.127 452 E HA -0.014 4.337 4.350 0.001 0.000 0.191 452 E C 2.369 178.963 176.600 -0.010 0.000 0.964 452 E CA 0.219 56.629 56.400 0.016 0.000 0.832 452 E CB -0.109 29.596 29.700 0.008 0.000 0.790 452 E HN 0.155 nan 8.360 nan 0.000 0.465 453 R N -0.176 120.312 120.500 -0.021 0.000 2.254 453 R HA 0.117 4.457 4.340 0.001 0.000 0.195 453 R C -0.388 175.858 176.300 -0.089 0.000 0.957 453 R CA 0.395 56.458 56.100 -0.061 0.000 1.024 453 R CB 0.386 30.649 30.300 -0.063 0.000 0.952 453 R HN 0.068 nan 8.270 nan 0.000 0.484 454 c N 0.174 118.729 118.600 -0.074 0.000 2.482 454 c HA 0.436 5.007 4.570 0.001 0.000 0.317 454 c C 0.094 174.097 174.090 -0.145 0.000 1.197 454 c CA -0.682 55.528 56.329 -0.198 0.000 1.432 454 c CB 2.007 44.333 42.510 -0.306 0.000 2.062 454 c HN 0.531 nan 8.230 nan 0.000 0.471 455 Q N -0.027 119.654 119.800 -0.199 0.000 2.046 455 Q HA 0.149 4.489 4.340 0.001 0.000 0.226 455 Q C -1.010 174.948 176.000 -0.069 0.000 0.755 455 Q CA 0.137 55.912 55.803 -0.047 0.000 0.924 455 Q CB 1.271 30.021 28.738 0.019 0.000 1.188 455 Q HN 0.770 nan 8.270 nan 0.000 0.450 456 Y N 0.796 120.900 120.300 -0.327 0.000 2.447 456 Y HA 0.390 4.940 4.550 0.001 0.000 0.325 456 Y C -1.381 174.308 175.900 -0.352 0.000 0.976 456 Y CA -1.057 56.901 58.100 -0.236 0.000 1.280 456 Y CB 0.519 38.883 38.460 -0.160 0.000 1.104 456 Y HN -0.093 nan 8.280 nan 0.000 0.486 457 Y N 1.842 122.115 120.300 -0.045 0.000 2.496 457 Y HA 0.643 5.193 4.550 0.001 0.000 0.331 457 Y C 0.235 176.126 175.900 -0.015 0.000 1.140 457 Y CA -0.622 57.459 58.100 -0.032 0.000 1.166 457 Y CB 2.186 40.582 38.460 -0.106 0.000 1.249 457 Y HN 0.404 nan 8.280 nan 0.000 0.479 458 S N 0.933 116.760 115.700 0.212 0.000 2.540 458 S HA 0.754 5.225 4.470 0.001 0.000 0.275 458 S C -1.988 172.689 174.600 0.128 0.000 1.123 458 S CA -0.591 57.701 58.200 0.153 0.000 0.907 458 S CB 1.330 64.623 63.200 0.155 0.000 1.081 458 S HN 0.566 nan 8.310 nan 0.000 0.476 459 V N 2.697 122.686 119.914 0.125 0.000 3.001 459 V HA 0.937 5.058 4.120 0.001 0.000 0.314 459 V C -0.793 175.398 176.094 0.161 0.000 1.099 459 V CA -0.260 62.092 62.300 0.087 0.000 0.989 459 V CB 2.320 34.162 31.823 0.031 0.000 1.040 459 V HN 0.983 nan 8.190 nan 0.000 0.434 460 S N 4.425 120.196 115.700 0.120 0.000 2.672 460 S HA 0.730 5.200 4.470 0.001 0.000 0.291 460 S C -1.472 173.273 174.600 0.242 0.000 1.145 460 S CA -0.385 57.989 58.200 0.289 0.000 1.013 460 S CB 0.860 64.262 63.200 0.338 0.000 1.017 460 S HN 0.493 nan 8.310 nan 0.000 0.487 461 F N 2.758 122.827 119.950 0.199 0.000 2.507 461 F HA 0.554 5.081 4.527 0.001 0.000 0.327 461 F C 1.195 176.609 175.800 -0.642 0.000 1.068 461 F CA -0.431 57.500 58.000 -0.115 0.000 0.965 461 F CB 2.031 40.937 39.000 -0.157 0.000 1.192 461 F HN 0.705 nan 8.300 nan 0.000 0.476 462 S N 1.730 116.847 115.700 -0.972 0.000 2.606 462 S HA 0.140 4.611 4.470 0.001 0.000 0.257 462 S C 1.230 175.636 174.600 -0.323 0.000 1.327 462 S CA -0.697 56.756 58.200 -1.245 0.000 0.984 462 S CB 0.663 63.248 63.200 -1.025 0.000 0.941 462 S HN 0.559 nan 8.310 nan 0.000 0.576 463 K N 0.743 121.074 120.400 -0.116 0.000 2.127 463 K HA -0.086 4.234 4.320 0.001 0.000 0.208 463 K C 0.938 177.541 176.600 0.005 0.000 1.047 463 K CA 1.503 57.802 56.287 0.020 0.000 0.927 463 K CB -0.360 32.190 32.500 0.083 0.000 0.716 463 K HN 0.670 nan 8.250 nan 0.000 0.450 464 E N -1.196 118.988 120.200 -0.026 0.000 2.624 464 E HA 0.219 4.570 4.350 0.001 0.000 0.210 464 E C -0.091 176.471 176.600 -0.063 0.000 0.997 464 E CA 0.104 56.491 56.400 -0.022 0.000 0.999 464 E CB 0.693 30.393 29.700 -0.001 0.000 1.040 464 E HN 0.190 nan 8.360 nan 0.000 0.469 465 A N 1.516 124.290 122.820 -0.077 0.000 2.869 465 A HA -0.317 4.004 4.320 0.001 0.000 0.280 465 A C 1.459 179.032 177.584 -0.018 0.000 1.458 465 A CA 1.615 53.649 52.037 -0.005 0.000 0.776 465 A CB -2.123 16.685 19.000 -0.319 0.000 1.028 465 A HN 0.263 nan 8.150 nan 0.000 0.547 466 K N -1.672 118.647 120.400 -0.136 0.000 2.116 466 K HA 0.100 4.420 4.320 0.001 0.000 0.203 466 K C 0.427 176.761 176.600 -0.444 0.000 1.052 466 K CA 1.463 57.570 56.287 -0.300 0.000 0.952 466 K CB -0.012 32.259 32.500 -0.381 0.000 0.729 466 K HN 0.659 nan 8.250 nan 0.000 0.446 467 Y N -1.299 118.923 120.300 -0.130 0.000 2.659 467 Y HA 0.368 4.919 4.550 0.001 0.000 0.333 467 Y C -0.816 174.995 175.900 -0.149 0.000 1.064 467 Y CA -1.122 56.887 58.100 -0.151 0.000 1.141 467 Y CB 1.570 39.947 38.460 -0.138 0.000 1.316 467 Y HN 0.014 nan 8.280 nan 0.000 0.509 468 Y N -1.573 118.714 120.300 -0.022 0.000 2.604 468 Y HA 0.473 5.023 4.550 0.001 0.000 0.331 468 Y C -1.523 174.381 175.900 0.007 0.000 1.158 468 Y CA -1.405 56.493 58.100 -0.336 0.000 1.056 468 Y CB 1.330 39.031 38.460 -1.264 0.000 1.330 468 Y HN 0.582 nan 8.280 nan 0.000 0.457 469 Q N 2.906 122.814 119.800 0.180 0.000 2.309 469 Q HA 0.649 4.990 4.340 0.001 0.000 0.264 469 Q C -2.001 174.068 176.000 0.115 0.000 1.008 469 Q CA -0.992 54.894 55.803 0.138 0.000 0.853 469 Q CB 1.928 30.706 28.738 0.068 0.000 1.314 469 Q HN 0.961 nan 8.270 nan 0.000 0.448 470 L N 4.334 125.629 121.223 0.121 0.000 2.294 470 L HA 0.474 4.814 4.340 0.001 0.000 0.283 470 L C 0.020 176.943 176.870 0.089 0.000 1.015 470 L CA -0.427 54.466 54.840 0.087 0.000 0.831 470 L CB 1.288 43.351 42.059 0.006 0.000 1.217 470 L HN 0.561 nan 8.230 nan 0.000 0.420 471 R N 3.894 124.432 120.500 0.063 0.000 2.593 471 R HA 0.171 4.511 4.340 0.001 0.000 0.282 471 R C -0.481 175.754 176.300 -0.109 0.000 1.300 471 R CA -0.401 55.623 56.100 -0.127 0.000 1.221 471 R CB 0.402 30.688 30.300 -0.024 0.000 1.157 471 R HN 0.678 nan 8.270 nan 0.000 0.555 472 c N 3.511 121.992 118.600 -0.199 0.000 2.464 472 c HA 0.278 4.849 4.570 0.001 0.000 0.370 472 c C 1.181 175.100 174.090 -0.285 0.000 1.267 472 c CA -0.344 55.780 56.329 -0.342 0.000 1.781 472 c CB 0.386 42.659 42.510 -0.395 0.000 2.431 472 c HN 0.917 nan 8.230 nan 0.000 0.556 473 S N 3.588 119.180 115.700 -0.181 0.000 2.456 473 S HA 0.362 4.833 4.470 0.001 0.000 0.224 473 S C 0.895 175.444 174.600 -0.085 0.000 1.035 473 S CA 0.611 58.732 58.200 -0.132 0.000 0.940 473 S CB 0.254 63.358 63.200 -0.160 0.000 0.799 473 S HN 1.144 nan 8.310 nan 0.000 0.508 474 G N 1.012 109.755 108.800 -0.096 0.000 2.721 474 G HA2 0.487 4.448 3.960 0.001 0.000 0.296 474 G HA3 0.487 4.448 3.960 0.001 0.000 0.296 474 G C -2.905 171.945 174.900 -0.082 0.000 1.383 474 G CA -0.908 44.169 45.100 -0.039 0.000 0.788 474 G HN -0.140 nan 8.290 nan 0.000 0.500 475 P HA 0.187 nan 4.420 nan 0.000 0.255 475 P C 0.888 178.166 177.300 -0.036 0.000 1.248 475 P CA 0.448 63.553 63.100 0.007 0.000 0.807 475 P CB 0.968 32.676 31.700 0.013 0.000 1.150 476 G N 0.247 108.963 108.800 -0.140 0.000 2.642 476 G HA2 0.480 4.440 3.960 0.001 0.000 0.291 476 G HA3 0.480 4.440 3.960 0.001 0.000 0.291 476 G C -0.525 174.110 174.900 -0.443 0.000 1.345 476 G CA -0.894 44.026 45.100 -0.301 0.000 1.043 476 G HN 0.012 nan 8.290 nan 0.000 0.528 477 L N 1.471 122.365 121.223 -0.548 0.000 2.578 477 L HA 0.076 4.416 4.340 0.001 0.000 0.279 477 L C -1.809 174.960 176.870 -0.170 0.000 1.227 477 L CA -0.943 53.642 54.840 -0.426 0.000 0.900 477 L CB 0.345 42.235 42.059 -0.282 0.000 1.144 477 L HN 0.238 nan 8.230 nan 0.000 0.496 478 P HA -0.055 nan 4.420 nan 0.000 0.264 478 P C -0.823 176.430 177.300 -0.077 0.000 1.179 478 P CA 0.106 63.156 63.100 -0.083 0.000 0.763 478 P CB 0.434 32.143 31.700 0.015 0.000 0.806 479 L N 5.535 126.639 121.223 -0.198 0.000 2.415 479 L HA 0.414 4.755 4.340 0.001 0.000 0.268 479 L C -1.552 175.238 176.870 -0.133 0.000 0.984 479 L CA -0.802 53.993 54.840 -0.075 0.000 0.853 479 L CB 0.350 42.389 42.059 -0.034 0.000 1.215 479 L HN 0.210 nan 8.230 nan 0.000 0.419 480 Y N 2.495 122.790 120.300 -0.009 0.000 2.310 480 Y HA 0.765 5.316 4.550 0.001 0.000 0.326 480 Y C 0.828 176.656 175.900 -0.120 0.000 1.151 480 Y CA -0.373 57.694 58.100 -0.055 0.000 1.195 480 Y CB 1.855 40.252 38.460 -0.105 0.000 1.210 480 Y HN 0.646 nan 8.280 nan 0.000 0.483 481 T N 0.614 115.182 114.554 0.023 0.000 2.942 481 T HA 0.540 4.891 4.350 0.001 0.000 0.327 481 T C -1.629 173.005 174.700 -0.111 0.000 1.360 481 T CA -0.845 61.203 62.100 -0.087 0.000 1.055 481 T CB 1.310 70.170 68.868 -0.013 0.000 1.261 481 T HN 0.424 nan 8.240 nan 0.000 0.485 482 L N 2.038 123.071 121.223 -0.317 0.000 2.375 482 L HA 0.736 5.077 4.340 0.001 0.000 0.268 482 L C -0.292 176.226 176.870 -0.587 0.000 1.058 482 L CA -0.092 54.594 54.840 -0.256 0.000 0.803 482 L CB 0.888 42.810 42.059 -0.229 0.000 1.212 482 L HN 0.882 nan 8.230 nan 0.000 0.451 483 H N 0.060 118.900 119.070 -0.384 0.000 3.017 483 H HA 0.442 4.998 4.556 0.001 0.000 0.346 483 H C -1.163 173.908 175.328 -0.430 0.000 1.286 483 H CA -0.801 54.889 56.048 -0.596 0.000 1.120 483 H CB 1.904 30.881 29.762 -1.307 0.000 1.860 483 H HN 0.527 nan 8.280 nan 0.000 0.542 484 S N 0.271 115.864 115.700 -0.178 0.000 2.449 484 S HA 0.217 4.688 4.470 0.001 0.000 0.310 484 S C 0.659 175.219 174.600 -0.067 0.000 1.096 484 S CA -0.677 57.446 58.200 -0.129 0.000 1.095 484 S CB 1.703 64.849 63.200 -0.089 0.000 1.007 484 S HN 0.573 nan 8.310 nan 0.000 0.474 485 S N 2.558 118.275 115.700 0.028 0.000 2.399 485 S HA -0.137 4.334 4.470 0.001 0.000 0.231 485 S C 1.970 176.607 174.600 0.063 0.000 1.022 485 S CA 1.050 59.375 58.200 0.209 0.000 0.983 485 S CB -0.605 62.673 63.200 0.131 0.000 0.803 485 S HN 0.788 nan 8.310 nan 0.000 0.480 486 V N 2.754 122.646 119.914 -0.036 0.000 2.231 486 V HA -0.199 3.921 4.120 0.001 0.000 0.250 486 V C 0.992 177.073 176.094 -0.021 0.000 1.058 486 V CA 2.069 64.345 62.300 -0.040 0.000 1.022 486 V CB -0.353 31.431 31.823 -0.065 0.000 0.640 486 V HN 0.476 nan 8.190 nan 0.000 0.445 487 N N -0.581 118.111 118.700 -0.013 0.000 2.238 487 N HA 0.138 4.879 4.740 0.001 0.000 0.235 487 N C -0.402 175.119 175.510 0.018 0.000 1.209 487 N CA 0.522 53.570 53.050 -0.003 0.000 0.879 487 N CB 0.313 38.795 38.487 -0.007 0.000 1.136 487 N HN 0.541 nan 8.380 nan 0.000 0.517 488 D N 1.109 121.545 120.400 0.060 0.000 2.704 488 D HA -0.212 4.429 4.640 0.001 0.000 0.232 488 D C 0.216 176.552 176.300 0.060 0.000 1.183 488 D CA 1.061 55.131 54.000 0.116 0.000 0.647 488 D CB -0.963 39.909 40.800 0.120 0.000 1.013 488 D HN 0.413 nan 8.370 nan 0.000 0.415 489 K N 0.080 120.483 120.400 0.004 0.000 2.172 489 K HA 0.443 4.764 4.320 0.001 0.000 0.276 489 K C 0.928 177.472 176.600 -0.095 0.000 1.013 489 K CA -0.338 55.933 56.287 -0.028 0.000 0.913 489 K CB 0.937 33.414 32.500 -0.038 0.000 1.055 489 K HN 0.084 nan 8.250 nan 0.000 0.461 490 G N 5.471 114.204 108.800 -0.111 0.000 3.008 490 G HA2 0.050 4.011 3.960 0.001 0.000 0.272 490 G HA3 0.050 4.011 3.960 0.001 0.000 0.272 490 G C 0.980 175.711 174.900 -0.281 0.000 0.764 490 G CA -0.289 44.650 45.100 -0.269 0.000 2.029 490 G HN 0.745 nan 8.290 nan 0.000 0.587 491 L N -0.085 120.952 121.223 -0.310 0.000 2.054 491 L HA -0.166 4.174 4.340 0.001 0.000 0.220 491 L C 1.956 178.703 176.870 -0.206 0.000 1.081 491 L CA 2.112 56.822 54.840 -0.217 0.000 0.780 491 L CB -0.382 41.552 42.059 -0.209 0.000 0.893 491 L HN 0.799 nan 8.230 nan 0.000 0.438 492 R N -3.385 116.950 120.500 -0.275 0.000 3.067 492 R HA 0.360 4.700 4.340 0.001 0.000 0.276 492 R C -1.664 174.501 176.300 -0.225 0.000 0.940 492 R CA -1.004 54.973 56.100 -0.206 0.000 0.816 492 R CB 1.166 31.369 30.300 -0.162 0.000 1.501 492 R HN -0.287 nan 8.270 nan 0.000 0.478 493 V N 2.280 122.094 119.914 -0.167 0.000 2.347 493 V HA 0.279 4.400 4.120 0.001 0.000 0.280 493 V C 1.194 177.171 176.094 -0.194 0.000 1.021 493 V CA -0.626 61.586 62.300 -0.146 0.000 0.847 493 V CB 1.309 33.085 31.823 -0.079 0.000 0.990 493 V HN 0.615 nan 8.190 nan 0.000 0.444 494 L N 2.787 123.839 121.223 -0.285 0.000 2.034 494 L HA 0.185 4.525 4.340 0.001 0.000 0.203 494 L C 0.833 177.569 176.870 -0.224 0.000 1.074 494 L CA 1.102 55.627 54.840 -0.524 0.000 0.748 494 L CB 0.161 41.599 42.059 -1.035 0.000 0.905 494 L HN 0.696 nan 8.230 nan 0.000 0.439 495 E N -0.424 119.743 120.200 -0.055 0.000 2.335 495 E HA 0.124 4.475 4.350 0.001 0.000 0.280 495 E C -1.417 175.281 176.600 0.163 0.000 0.918 495 E CA -0.455 55.992 56.400 0.078 0.000 0.765 495 E CB 1.449 31.178 29.700 0.048 0.000 1.218 495 E HN 0.186 nan 8.360 nan 0.000 0.425 496 D N 2.802 123.268 120.400 0.110 0.000 2.540 496 D HA 0.146 4.786 4.640 0.001 0.000 0.229 496 D C -0.511 175.835 176.300 0.077 0.000 1.250 496 D CA -0.397 53.656 54.000 0.089 0.000 0.817 496 D CB -0.240 40.583 40.800 0.038 0.000 1.060 496 D HN 0.485 nan 8.370 nan 0.000 0.508 497 N N 1.051 119.814 118.700 0.105 0.000 2.699 497 N HA -0.202 4.538 4.740 0.001 0.000 0.256 497 N C 0.853 176.394 175.510 0.052 0.000 0.993 497 N CA 0.958 54.062 53.050 0.090 0.000 0.759 497 N CB -0.887 37.662 38.487 0.104 0.000 0.906 497 N HN 0.525 nan 8.380 nan 0.000 0.541 498 S N -1.571 114.156 115.700 0.045 0.000 2.461 498 S HA 0.128 4.599 4.470 0.001 0.000 0.228 498 S C 1.887 176.510 174.600 0.038 0.000 1.005 498 S CA 0.510 58.728 58.200 0.030 0.000 0.942 498 S CB 0.299 63.515 63.200 0.026 0.000 0.776 498 S HN 0.490 nan 8.310 nan 0.000 0.514 499 A N 1.522 124.375 122.820 0.054 0.000 1.984 499 A HA 0.344 4.664 4.320 0.001 0.000 0.214 499 A C 2.074 179.709 177.584 0.085 0.000 1.173 499 A CA 0.837 52.912 52.037 0.064 0.000 0.673 499 A CB -0.632 18.407 19.000 0.065 0.000 0.830 499 A HN 0.483 nan 8.150 nan 0.000 0.453 500 L N 0.598 121.878 121.223 0.095 0.000 2.056 500 L HA -0.149 4.192 4.340 0.001 0.000 0.207 500 L C 1.980 178.901 176.870 0.085 0.000 1.078 500 L CA 2.737 57.654 54.840 0.129 0.000 0.749 500 L CB -0.659 41.489 42.059 0.147 0.000 0.901 500 L HN 0.526 nan 8.230 nan 0.000 0.433 501 D N -0.152 120.272 120.400 0.039 0.000 2.133 501 D HA -0.319 4.321 4.640 0.001 0.000 0.195 501 D C 2.068 178.374 176.300 0.010 0.000 0.997 501 D CA 1.689 55.688 54.000 -0.003 0.000 0.840 501 D CB -0.052 40.735 40.800 -0.021 0.000 0.947 501 D HN 0.485 nan 8.370 nan 0.000 0.452 502 K N -0.152 120.267 120.400 0.032 0.000 2.074 502 K HA -0.177 4.144 4.320 0.001 0.000 0.209 502 K C 2.459 179.091 176.600 0.052 0.000 1.048 502 K CA 1.246 57.556 56.287 0.038 0.000 0.926 502 K CB -0.123 32.406 32.500 0.048 0.000 0.713 502 K HN 0.225 nan 8.250 nan 0.000 0.444 503 M N 0.522 120.172 119.600 0.084 0.000 2.254 503 M HA -0.105 4.375 4.480 0.001 0.000 0.265 503 M C 1.948 178.257 176.300 0.015 0.000 1.066 503 M CA 1.135 56.511 55.300 0.125 0.000 1.123 503 M CB 0.028 32.802 32.600 0.289 0.000 1.388 503 M HN 0.150 nan 8.290 nan 0.000 0.425 504 L N -0.154 121.039 121.223 -0.050 0.000 2.240 504 L HA -0.153 4.188 4.340 0.001 0.000 0.211 504 L C 2.413 179.250 176.870 -0.055 0.000 1.106 504 L CA 0.744 55.513 54.840 -0.117 0.000 0.793 504 L CB -0.686 41.316 42.059 -0.095 0.000 0.927 504 L HN 0.435 nan 8.230 nan 0.000 0.446 505 Q N -0.738 119.049 119.800 -0.022 0.000 2.364 505 Q HA -0.105 4.235 4.340 0.001 0.000 0.207 505 Q C 1.110 177.114 176.000 0.007 0.000 0.970 505 Q CA 0.839 56.636 55.803 -0.009 0.000 0.888 505 Q CB -0.332 28.405 28.738 -0.001 0.000 0.951 505 Q HN 0.418 nan 8.270 nan 0.000 0.469 506 N N 0.750 119.459 118.700 0.015 0.000 2.383 506 N HA 0.090 4.831 4.740 0.001 0.000 0.192 506 N C -0.531 175.005 175.510 0.044 0.000 1.141 506 N CA 0.147 53.220 53.050 0.039 0.000 0.851 506 N CB 1.062 39.587 38.487 0.063 0.000 0.976 506 N HN 0.098 nan 8.380 nan 0.000 0.465 507 V N 0.221 120.144 119.914 0.015 0.000 3.141 507 V HA 0.269 4.390 4.120 0.001 0.000 0.312 507 V C -0.946 175.169 176.094 0.035 0.000 1.157 507 V CA -0.696 61.624 62.300 0.033 0.000 1.041 507 V CB 2.470 34.287 31.823 -0.009 0.000 1.071 507 V HN -0.069 nan 8.190 nan 0.000 0.441 508 Q N 3.871 123.711 119.800 0.066 0.000 3.006 508 Q HA 0.364 4.704 4.340 0.001 0.000 0.260 508 Q C -0.473 175.546 176.000 0.031 0.000 1.356 508 Q CA -0.314 55.520 55.803 0.052 0.000 1.070 508 Q CB 0.583 29.386 28.738 0.109 0.000 1.507 508 Q HN 0.562 nan 8.270 nan 0.000 0.568 509 M N 2.497 122.096 119.600 -0.003 0.000 2.226 509 M HA 0.316 4.797 4.480 0.001 0.000 0.324 509 M C -2.007 174.261 176.300 -0.053 0.000 1.112 509 M CA -1.894 53.394 55.300 -0.019 0.000 1.176 509 M CB -0.312 32.275 32.600 -0.022 0.000 1.430 509 M HN 0.199 nan 8.290 nan 0.000 0.462 510 P HA 0.294 nan 4.420 nan 0.000 0.285 510 P C -0.937 176.312 177.300 -0.085 0.000 1.269 510 P CA -0.415 62.630 63.100 -0.090 0.000 0.844 510 P CB 1.068 32.702 31.700 -0.111 0.000 1.094 511 S N 0.422 116.058 115.700 -0.107 0.000 2.745 511 S HA 0.596 5.067 4.470 0.001 0.000 0.292 511 S C -0.320 174.219 174.600 -0.103 0.000 1.133 511 S CA -0.662 57.485 58.200 -0.088 0.000 0.998 511 S CB 1.354 64.497 63.200 -0.095 0.000 1.087 511 S HN 0.527 nan 8.310 nan 0.000 0.551 512 K N 0.113 120.473 120.400 -0.067 0.000 2.378 512 K HA 0.440 4.761 4.320 0.001 0.000 0.252 512 K C -1.506 175.066 176.600 -0.048 0.000 0.931 512 K CA -0.579 55.675 56.287 -0.056 0.000 0.794 512 K CB 1.467 33.961 32.500 -0.011 0.000 1.181 512 K HN 0.718 nan 8.250 nan 0.000 0.425 513 K N 5.308 125.680 120.400 -0.046 0.000 2.535 513 K HA 0.256 4.576 4.320 0.001 0.000 0.253 513 K C -1.688 174.911 176.600 -0.002 0.000 0.953 513 K CA -0.778 55.493 56.287 -0.027 0.000 0.863 513 K CB 1.026 33.493 32.500 -0.054 0.000 1.111 513 K HN 0.435 nan 8.250 nan 0.000 0.431 514 L N 4.541 125.776 121.223 0.020 0.000 2.264 514 L HA 0.445 4.785 4.340 0.001 0.000 0.287 514 L C -0.823 176.094 176.870 0.078 0.000 1.039 514 L CA 0.281 55.158 54.840 0.061 0.000 0.829 514 L CB 0.789 42.915 42.059 0.112 0.000 1.211 514 L HN 0.749 nan 8.230 nan 0.000 0.427 515 D N 3.363 123.643 120.400 -0.201 0.000 2.846 515 D HA 0.597 5.238 4.640 0.001 0.000 0.273 515 D C -1.445 174.747 176.300 -0.179 0.000 1.145 515 D CA -0.001 53.850 54.000 -0.249 0.000 1.091 515 D CB 1.765 42.238 40.800 -0.546 0.000 1.364 515 D HN 0.226 nan 8.370 nan 0.000 0.613 516 F N -0.333 119.372 119.950 -0.408 0.000 2.665 516 F HA 0.529 5.056 4.527 0.001 0.000 0.308 516 F C -1.339 174.497 175.800 0.060 0.000 1.112 516 F CA -1.202 56.652 58.000 -0.242 0.000 0.972 516 F CB 0.348 38.726 39.000 -1.037 0.000 1.295 516 F HN 0.238 nan 8.300 nan 0.000 0.440 517 I N 1.004 121.773 120.570 0.331 0.000 2.648 517 I HA 0.717 4.887 4.170 0.001 0.000 0.304 517 I C -1.014 175.295 176.117 0.321 0.000 1.009 517 I CA -1.186 60.240 61.300 0.211 0.000 1.114 517 I CB 2.158 40.301 38.000 0.240 0.000 1.293 517 I HN 0.641 nan 8.210 nan 0.000 0.449 518 I N 5.444 126.130 120.570 0.193 0.000 2.339 518 I HA 0.420 4.591 4.170 0.001 0.000 0.290 518 I C -0.610 175.623 176.117 0.194 0.000 0.994 518 I CA -0.469 60.983 61.300 0.253 0.000 1.191 518 I CB 1.349 39.461 38.000 0.185 0.000 1.343 518 I HN 0.382 nan 8.210 nan 0.000 0.458 519 L N 6.330 127.715 121.223 0.269 0.000 2.365 519 L HA 0.456 4.796 4.340 0.001 0.000 0.273 519 L C 0.359 177.326 176.870 0.162 0.000 1.000 519 L CA -0.818 54.099 54.840 0.130 0.000 0.819 519 L CB 1.594 43.630 42.059 -0.039 0.000 1.284 519 L HN 0.635 nan 8.230 nan 0.000 0.418 520 N N 2.535 121.284 118.700 0.082 0.000 2.696 520 N HA -0.225 4.515 4.740 0.001 0.000 0.249 520 N C 0.075 175.644 175.510 0.099 0.000 1.090 520 N CA 1.473 54.567 53.050 0.073 0.000 0.716 520 N CB -0.585 37.937 38.487 0.057 0.000 1.020 520 N HN 0.847 nan 8.380 nan 0.000 0.548 521 E N -3.160 117.106 120.200 0.110 0.000 3.303 521 E HA -0.182 4.169 4.350 0.001 0.000 0.302 521 E C -0.718 175.954 176.600 0.120 0.000 0.902 521 E CA 1.168 57.629 56.400 0.100 0.000 1.042 521 E CB -1.453 28.286 29.700 0.066 0.000 1.528 521 E HN 0.431 nan 8.360 nan 0.000 0.424 522 T N 0.372 115.042 114.554 0.193 0.000 2.906 522 T HA 0.443 4.794 4.350 0.001 0.000 0.295 522 T C -0.479 174.354 174.700 0.221 0.000 1.061 522 T CA -0.963 61.232 62.100 0.158 0.000 1.000 522 T CB 2.001 70.980 68.868 0.186 0.000 1.103 522 T HN 0.198 nan 8.240 nan 0.000 0.486 523 K N 1.294 121.678 120.400 -0.027 0.000 2.182 523 K HA 0.706 5.026 4.320 0.001 0.000 0.262 523 K C -1.577 174.858 176.600 -0.275 0.000 0.957 523 K CA -0.678 55.632 56.287 0.038 0.000 0.842 523 K CB 0.979 33.373 32.500 -0.177 0.000 1.099 523 K HN 0.341 nan 8.250 nan 0.000 0.438 524 F N 2.022 122.097 119.950 0.209 0.000 2.477 524 F HA 0.377 4.905 4.527 0.001 0.000 0.335 524 F C -0.826 175.173 175.800 0.333 0.000 1.130 524 F CA -0.687 57.447 58.000 0.224 0.000 0.948 524 F CB 0.939 40.086 39.000 0.245 0.000 1.154 524 F HN 0.541 nan 8.300 nan 0.000 0.439 525 W N 3.472 124.913 121.300 0.236 0.000 2.283 525 W HA 0.530 5.191 4.660 0.001 0.000 0.341 525 W C -0.479 176.269 176.519 0.381 0.000 1.206 525 W CA -0.560 56.965 57.345 0.301 0.000 1.294 525 W CB 0.451 29.998 29.460 0.145 0.000 1.154 525 W HN 0.462 nan 8.180 nan 0.000 0.613 526 Y N -0.707 119.973 120.300 0.633 0.000 2.625 526 Y HA 0.640 5.190 4.550 0.001 0.000 0.338 526 Y C -1.192 174.932 175.900 0.373 0.000 1.123 526 Y CA -2.023 56.406 58.100 0.547 0.000 1.046 526 Y CB 1.037 39.965 38.460 0.781 0.000 1.299 526 Y HN 0.588 nan 8.280 nan 0.000 0.464 527 Q N 2.271 122.381 119.800 0.517 0.000 2.389 527 Q HA 0.744 5.084 4.340 0.001 0.000 0.277 527 Q C -1.803 174.356 176.000 0.266 0.000 1.082 527 Q CA -1.225 54.742 55.803 0.274 0.000 0.810 527 Q CB 3.379 32.218 28.738 0.169 0.000 1.374 527 Q HN 0.836 nan 8.270 nan 0.000 0.422 528 M N 2.969 122.639 119.600 0.117 0.000 2.035 528 M HA 0.353 4.834 4.480 0.001 0.000 0.286 528 M C -1.070 175.156 176.300 -0.123 0.000 0.907 528 M CA -0.810 54.475 55.300 -0.026 0.000 0.935 528 M CB 1.662 34.192 32.600 -0.115 0.000 1.557 528 M HN 0.614 nan 8.290 nan 0.000 0.426 529 I N 4.925 125.436 120.570 -0.099 0.000 2.664 529 I HA 0.064 4.235 4.170 0.001 0.000 0.284 529 I C -0.059 175.919 176.117 -0.232 0.000 1.154 529 I CA 0.550 61.768 61.300 -0.137 0.000 1.402 529 I CB -0.535 37.399 38.000 -0.109 0.000 1.395 529 I HN 0.645 nan 8.210 nan 0.000 0.545 530 L N 8.579 129.621 121.223 -0.302 0.000 2.322 530 L HA 0.455 4.795 4.340 0.001 0.000 0.279 530 L C -2.209 174.498 176.870 -0.273 0.000 1.036 530 L CA -1.901 52.655 54.840 -0.473 0.000 0.807 530 L CB 1.512 43.121 42.059 -0.751 0.000 1.226 530 L HN 0.273 nan 8.230 nan 0.000 0.433 531 P HA 0.135 nan 4.420 nan 0.000 0.271 531 P C -2.532 174.783 177.300 0.026 0.000 1.233 531 P CA -1.025 62.073 63.100 -0.003 0.000 0.789 531 P CB -0.054 31.747 31.700 0.168 0.000 0.951 532 P HA 0.060 nan 4.420 nan 0.000 0.271 532 P C -0.500 176.796 177.300 -0.006 0.000 1.216 532 P CA 0.633 63.675 63.100 -0.097 0.000 0.776 532 P CB -0.031 31.597 31.700 -0.122 0.000 0.881 533 H N -0.448 118.678 119.070 0.094 0.000 2.886 533 H HA -0.180 4.376 4.556 0.001 0.000 0.294 533 H C -0.126 175.274 175.328 0.119 0.000 1.246 533 H CA -0.105 55.995 56.048 0.086 0.000 1.142 533 H CB -2.148 27.658 29.762 0.073 0.000 1.358 533 H HN 0.389 nan 8.280 nan 0.000 0.406 534 F N 2.970 122.915 119.950 -0.008 0.000 2.539 534 F HA 0.075 4.602 4.527 0.001 0.000 0.393 534 F C 0.652 176.416 175.800 -0.061 0.000 1.032 534 F CA -0.205 57.729 58.000 -0.110 0.000 1.120 534 F CB 0.333 39.157 39.000 -0.293 0.000 1.014 534 F HN 0.136 nan 8.300 nan 0.000 0.546 535 D N 6.621 126.717 120.400 -0.506 0.000 2.473 535 D HA 0.082 4.722 4.640 0.001 0.000 0.226 535 D C 0.747 176.697 176.300 -0.582 0.000 1.089 535 D CA -0.455 53.318 54.000 -0.380 0.000 0.883 535 D CB 0.582 41.355 40.800 -0.045 0.000 1.029 535 D HN 0.661 nan 8.370 nan 0.000 0.517 536 K N 1.397 121.346 120.400 -0.751 0.000 2.664 536 K HA -0.075 4.246 4.320 0.001 0.000 0.193 536 K C 0.869 177.453 176.600 -0.028 0.000 1.028 536 K CA 0.473 56.516 56.287 -0.405 0.000 1.005 536 K CB -0.161 32.248 32.500 -0.151 0.000 0.815 536 K HN 0.190 nan 8.250 nan 0.000 0.496 537 S N -0.101 115.574 115.700 -0.042 0.000 2.492 537 S HA 0.064 4.535 4.470 0.001 0.000 0.218 537 S C 0.298 174.930 174.600 0.053 0.000 1.016 537 S CA -0.439 57.769 58.200 0.014 0.000 0.916 537 S CB 0.089 63.282 63.200 -0.012 0.000 0.791 537 S HN 0.287 nan 8.310 nan 0.000 0.513 538 K N 0.792 121.258 120.400 0.110 0.000 2.123 538 K HA 0.544 4.865 4.320 0.001 0.000 0.248 538 K C -1.130 175.602 176.600 0.219 0.000 0.969 538 K CA -0.958 55.377 56.287 0.081 0.000 0.882 538 K CB 0.713 33.174 32.500 -0.064 0.000 1.080 538 K HN -0.138 nan 8.250 nan 0.000 0.441 539 K N 1.400 121.820 120.400 0.033 0.000 2.205 539 K HA 0.290 4.611 4.320 0.001 0.000 0.279 539 K C -1.265 175.319 176.600 -0.027 0.000 1.027 539 K CA -0.091 56.262 56.287 0.110 0.000 0.932 539 K CB 0.399 32.898 32.500 -0.001 0.000 1.032 539 K HN 0.402 nan 8.250 nan 0.000 0.466 540 Y N 3.814 124.179 120.300 0.109 0.000 2.361 540 Y HA 0.306 4.857 4.550 0.001 0.000 0.337 540 Y C -1.794 174.088 175.900 -0.031 0.000 0.965 540 Y CA -2.312 55.835 58.100 0.080 0.000 1.091 540 Y CB 1.749 40.341 38.460 0.219 0.000 1.182 540 Y HN 0.570 nan 8.280 nan 0.000 0.450 541 P HA 0.065 nan 4.420 nan 0.000 0.278 541 P C -0.956 176.315 177.300 -0.048 0.000 1.270 541 P CA -0.053 62.830 63.100 -0.362 0.000 0.800 541 P CB 1.643 32.763 31.700 -0.967 0.000 1.142 542 L N -0.582 120.666 121.223 0.043 0.000 2.588 542 L HA 0.416 4.757 4.340 0.001 0.000 0.263 542 L C -1.788 175.308 176.870 0.376 0.000 0.935 542 L CA -1.085 53.883 54.840 0.212 0.000 0.891 542 L CB 1.822 43.970 42.059 0.148 0.000 1.318 542 L HN 0.132 nan 8.230 nan 0.000 0.409 543 L N 5.300 126.719 121.223 0.327 0.000 2.280 543 L HA 0.508 4.848 4.340 0.001 0.000 0.287 543 L C -1.201 175.883 176.870 0.357 0.000 1.023 543 L CA -0.218 54.833 54.840 0.352 0.000 0.819 543 L CB 1.526 43.727 42.059 0.238 0.000 1.212 543 L HN 0.654 nan 8.230 nan 0.000 0.420 544 L N 5.396 126.874 121.223 0.424 0.000 2.312 544 L HA 0.345 4.686 4.340 0.001 0.000 0.287 544 L C -0.204 176.892 176.870 0.376 0.000 1.091 544 L CA 0.318 55.403 54.840 0.409 0.000 0.846 544 L CB 0.172 42.517 42.059 0.477 0.000 1.219 544 L HN 0.611 nan 8.230 nan 0.000 0.439 545 D N 4.155 124.762 120.400 0.345 0.000 2.339 545 D HA 0.184 4.824 4.640 0.001 0.000 0.256 545 D C -0.989 175.423 176.300 0.187 0.000 1.214 545 D CA 0.187 54.336 54.000 0.248 0.000 0.877 545 D CB 1.260 42.243 40.800 0.306 0.000 1.111 545 D HN 0.352 nan 8.370 nan 0.000 0.478 546 V N 5.464 125.428 119.914 0.083 0.000 2.789 546 V HA 0.364 4.484 4.120 0.001 0.000 0.311 546 V C -1.126 175.068 176.094 0.167 0.000 1.073 546 V CA -0.508 61.888 62.300 0.159 0.000 0.921 546 V CB 1.869 33.799 31.823 0.178 0.000 1.009 546 V HN 0.610 nan 8.190 nan 0.000 0.426 547 Y N 5.467 125.830 120.300 0.105 0.000 2.652 547 Y HA 0.502 5.052 4.550 0.001 0.000 0.275 547 Y C 1.781 177.756 175.900 0.125 0.000 1.133 547 Y CA 0.996 59.163 58.100 0.112 0.000 1.246 547 Y CB 0.333 38.835 38.460 0.070 0.000 1.334 547 Y HN 1.150 nan 8.280 nan 0.000 0.493 548 A N 1.124 124.014 122.820 0.118 0.000 2.692 548 A HA -0.251 4.069 4.320 0.001 0.000 0.302 548 A C 1.247 178.657 177.584 -0.291 0.000 1.462 548 A CA 1.168 53.229 52.037 0.040 0.000 1.012 548 A CB -2.276 16.830 19.000 0.176 0.000 0.914 548 A HN 0.760 nan 8.150 nan 0.000 0.544 549 G N -1.232 107.128 108.800 -0.733 0.000 2.636 549 G HA2 0.445 4.406 3.960 0.001 0.000 0.246 549 G HA3 0.445 4.406 3.960 0.001 0.000 0.246 549 G C -2.212 172.360 174.900 -0.547 0.000 1.216 549 G CA -0.869 43.437 45.100 -1.323 0.000 0.854 549 G HN 0.291 nan 8.290 nan 0.000 0.572 550 P HA 0.012 nan 4.420 nan 0.000 0.261 550 P C 0.670 177.795 177.300 -0.292 0.000 1.173 550 P CA 0.238 63.024 63.100 -0.524 0.000 0.760 550 P CB 0.508 31.427 31.700 -1.301 0.000 0.783 551 C N 2.940 122.145 119.300 -0.159 0.000 4.235 551 C HA -0.148 4.312 4.460 0.001 0.000 0.301 551 C C 1.029 175.982 174.990 -0.062 0.000 1.409 551 C CA 1.007 59.914 59.018 -0.186 0.000 2.024 551 C CB -2.723 24.823 27.740 -0.323 0.000 1.286 551 C HN 0.779 nan 8.230 nan 0.000 0.746 552 S N -0.281 115.439 115.700 0.033 0.000 2.690 552 S HA 0.725 5.195 4.470 0.001 0.000 0.285 552 S C -0.567 174.146 174.600 0.187 0.000 1.135 552 S CA 0.227 58.542 58.200 0.192 0.000 1.020 552 S CB 1.590 64.963 63.200 0.290 0.000 1.159 552 S HN 1.017 nan 8.310 nan 0.000 0.534 553 Q N -0.519 119.430 119.800 0.249 0.000 2.686 553 Q HA 0.228 4.568 4.340 0.001 0.000 0.222 553 Q C -1.070 175.048 176.000 0.197 0.000 0.777 553 Q CA -0.439 55.508 55.803 0.240 0.000 1.018 553 Q CB 0.711 29.674 28.738 0.373 0.000 1.563 553 Q HN 0.649 nan 8.270 nan 0.000 0.479 554 K N 0.430 120.939 120.400 0.182 0.000 2.374 554 K HA 0.311 4.631 4.320 0.001 0.000 0.196 554 K C -0.029 176.666 176.600 0.160 0.000 1.023 554 K CA 0.455 56.842 56.287 0.167 0.000 1.103 554 K CB 1.209 33.830 32.500 0.201 0.000 0.848 554 K HN 0.468 nan 8.250 nan 0.000 0.528 555 A N 2.714 125.633 122.820 0.165 0.000 2.256 555 A HA 0.444 4.765 4.320 0.001 0.000 0.317 555 A C -0.666 176.972 177.584 0.090 0.000 1.318 555 A CA -0.530 51.603 52.037 0.160 0.000 0.894 555 A CB 0.254 19.394 19.000 0.232 0.000 1.165 555 A HN 0.251 nan 8.150 nan 0.000 0.525 556 D N -0.010 120.432 120.400 0.071 0.000 2.825 556 D HA 0.420 5.061 4.640 0.001 0.000 0.327 556 D C 0.211 176.541 176.300 0.050 0.000 1.277 556 D CA 0.313 54.351 54.000 0.065 0.000 0.950 556 D CB 0.289 41.161 40.800 0.120 0.000 1.438 556 D HN 0.229 nan 8.370 nan 0.000 0.526 557 T N -2.229 112.381 114.554 0.093 0.000 3.214 557 T HA 0.398 4.748 4.350 0.001 0.000 0.264 557 T C 0.384 175.096 174.700 0.020 0.000 1.012 557 T CA -0.389 61.747 62.100 0.060 0.000 0.901 557 T CB -0.656 68.253 68.868 0.068 0.000 1.070 557 T HN 0.268 nan 8.240 nan 0.000 0.561 558 V N 2.053 121.911 119.914 -0.094 0.000 3.051 558 V HA 0.406 4.527 4.120 0.001 0.000 0.306 558 V C -0.056 176.010 176.094 -0.046 0.000 1.083 558 V CA -0.773 61.405 62.300 -0.203 0.000 1.104 558 V CB 0.673 32.232 31.823 -0.440 0.000 1.027 558 V HN 0.598 nan 8.190 nan 0.000 0.483 559 F N 4.794 124.650 119.950 -0.156 0.000 2.361 559 F HA 0.616 5.143 4.527 0.001 0.000 0.364 559 F C 0.201 175.938 175.800 -0.105 0.000 1.117 559 F CA -0.556 57.376 58.000 -0.114 0.000 1.071 559 F CB 0.424 39.366 39.000 -0.097 0.000 1.188 559 F HN 0.386 nan 8.300 nan 0.000 0.464 560 R N 5.976 126.023 120.500 -0.755 0.000 2.778 560 R HA 0.661 5.001 4.340 0.001 0.000 0.277 560 R C -1.519 174.307 176.300 -0.791 0.000 0.977 560 R CA -1.202 54.521 56.100 -0.628 0.000 0.950 560 R CB 2.307 32.418 30.300 -0.314 0.000 1.165 560 R HN 0.656 nan 8.270 nan 0.000 0.474 561 L N 3.552 124.478 121.223 -0.496 0.000 2.345 561 L HA 0.420 4.760 4.340 0.001 0.000 0.274 561 L C -0.962 175.777 176.870 -0.220 0.000 0.999 561 L CA -0.658 53.951 54.840 -0.384 0.000 0.849 561 L CB 0.955 42.942 42.059 -0.119 0.000 1.220 561 L HN 0.820 nan 8.230 nan 0.000 0.422 562 N N 0.443 118.937 118.700 -0.344 0.000 3.308 562 N HA 0.097 4.838 4.740 0.001 0.000 0.276 562 N C 0.124 175.309 175.510 -0.541 0.000 1.533 562 N CA -0.915 51.819 53.050 -0.527 0.000 0.878 562 N CB 0.155 38.483 38.487 -0.265 0.000 1.566 562 N HN 0.313 nan 8.380 nan 0.000 0.546 563 W N 0.874 121.579 121.300 -0.991 0.000 2.274 563 W HA -0.210 4.451 4.660 0.001 0.000 0.314 563 W C 2.051 178.530 176.519 -0.066 0.000 1.254 563 W CA 3.588 60.716 57.345 -0.362 0.000 1.265 563 W CB -1.100 28.345 29.460 -0.025 0.000 1.141 563 W HN 0.760 nan 8.180 nan 0.000 0.505 564 A N -0.716 122.066 122.820 -0.064 0.000 1.877 564 A HA -0.248 4.072 4.320 0.001 0.000 0.216 564 A C 1.984 179.434 177.584 -0.223 0.000 1.186 564 A CA 3.040 54.971 52.037 -0.177 0.000 0.620 564 A CB -1.449 17.520 19.000 -0.052 0.000 0.822 564 A HN 0.338 nan 8.150 nan 0.000 0.443 565 T N -0.835 113.576 114.554 -0.238 0.000 2.653 565 T HA -0.299 4.051 4.350 0.001 0.000 0.268 565 T C 1.800 176.444 174.700 -0.093 0.000 1.035 565 T CA 1.993 63.900 62.100 -0.321 0.000 1.154 565 T CB -0.641 67.754 68.868 -0.788 0.000 0.862 565 T HN 0.643 nan 8.240 nan 0.000 0.441 566 Y N 2.377 122.690 120.300 0.020 0.000 2.070 566 Y HA -0.071 4.480 4.550 0.001 0.000 0.279 566 Y C 2.116 177.995 175.900 -0.036 0.000 1.134 566 Y CA 0.811 59.000 58.100 0.148 0.000 1.113 566 Y CB -1.033 37.554 38.460 0.212 0.000 0.981 566 Y HN 0.126 nan 8.280 nan 0.000 0.487 567 L N 0.372 121.031 121.223 -0.941 0.000 2.010 567 L HA -0.357 3.984 4.340 0.001 0.000 0.219 567 L C 2.830 179.423 176.870 -0.462 0.000 1.077 567 L CA 1.875 56.142 54.840 -0.955 0.000 0.773 567 L CB -1.233 40.314 42.059 -0.852 0.000 0.892 567 L HN 0.454 nan 8.230 nan 0.000 0.436 568 A N -1.396 121.250 122.820 -0.290 0.000 1.873 568 A HA -0.222 4.098 4.320 0.001 0.000 0.215 568 A C 2.505 180.044 177.584 -0.074 0.000 1.186 568 A CA 2.080 54.027 52.037 -0.150 0.000 0.616 568 A CB -0.740 18.173 19.000 -0.144 0.000 0.823 568 A HN 0.396 nan 8.150 nan 0.000 0.442 569 S N -1.431 114.242 115.700 -0.045 0.000 2.338 569 S HA -0.122 4.348 4.470 0.001 0.000 0.218 569 S C 2.131 176.783 174.600 0.086 0.000 1.032 569 S CA 2.225 60.455 58.200 0.049 0.000 0.999 569 S CB -0.512 62.766 63.200 0.129 0.000 0.905 569 S HN 0.595 nan 8.310 nan 0.000 0.439 570 T N 1.588 116.205 114.554 0.104 0.000 2.770 570 T HA 0.087 4.438 4.350 0.001 0.000 0.258 570 T C 1.618 176.353 174.700 0.058 0.000 1.039 570 T CA 0.913 63.100 62.100 0.146 0.000 1.143 570 T CB -0.277 68.807 68.868 0.360 0.000 0.866 570 T HN 0.282 nan 8.240 nan 0.000 0.428 571 E N 1.242 121.385 120.200 -0.094 0.000 2.482 571 E HA 0.090 4.441 4.350 0.001 0.000 0.196 571 E C 0.389 176.982 176.600 -0.012 0.000 1.047 571 E CA -0.005 56.350 56.400 -0.075 0.000 0.869 571 E CB -0.525 29.047 29.700 -0.212 0.000 0.836 571 E HN 0.568 nan 8.360 nan 0.000 0.520 572 N N 0.268 118.972 118.700 0.008 0.000 2.725 572 N HA -0.198 4.543 4.740 0.001 0.000 0.249 572 N C -0.662 174.922 175.510 0.123 0.000 1.103 572 N CA 0.057 53.162 53.050 0.092 0.000 0.707 572 N CB -1.075 37.470 38.487 0.096 0.000 1.043 572 N HN 0.185 nan 8.380 nan 0.000 0.553 573 I N 1.437 122.033 120.570 0.043 0.000 2.353 573 I HA 0.304 4.474 4.170 0.001 0.000 0.293 573 I C 0.702 176.843 176.117 0.040 0.000 0.992 573 I CA -0.631 60.718 61.300 0.081 0.000 1.268 573 I CB 1.220 39.253 38.000 0.055 0.000 1.387 573 I HN 0.022 nan 8.210 nan 0.000 0.478 574 I N 6.634 127.249 120.570 0.075 0.000 2.352 574 I HA 0.185 4.355 4.170 0.001 0.000 0.290 574 I C -0.260 175.860 176.117 0.005 0.000 1.036 574 I CA -0.504 60.777 61.300 -0.031 0.000 1.336 574 I CB 1.155 39.110 38.000 -0.076 0.000 1.407 574 I HN 0.199 nan 8.210 nan 0.000 0.497 575 V N 6.217 126.113 119.914 -0.030 0.000 2.427 575 V HA 0.714 4.834 4.120 0.001 0.000 0.286 575 V C 0.298 176.418 176.094 0.044 0.000 1.034 575 V CA -0.407 61.916 62.300 0.040 0.000 0.893 575 V CB 1.277 33.112 31.823 0.020 0.000 0.982 575 V HN 0.859 nan 8.190 nan 0.000 0.452 576 A N 3.726 126.614 122.820 0.114 0.000 2.449 576 A HA 0.886 5.206 4.320 0.001 0.000 0.302 576 A C -0.446 177.296 177.584 0.264 0.000 1.048 576 A CA -0.486 51.619 52.037 0.113 0.000 0.708 576 A CB 2.010 20.952 19.000 -0.097 0.000 1.274 576 A HN 0.673 nan 8.150 nan 0.000 0.410 577 S N 0.076 115.970 115.700 0.324 0.000 2.600 577 S HA 0.854 5.325 4.470 0.001 0.000 0.300 577 S C -1.398 173.543 174.600 0.568 0.000 1.087 577 S CA -0.319 58.115 58.200 0.390 0.000 0.965 577 S CB 1.379 64.755 63.200 0.293 0.000 1.089 577 S HN 0.879 nan 8.310 nan 0.000 0.496 578 F N 1.580 121.761 119.950 0.385 0.000 2.574 578 F HA 0.419 4.947 4.527 0.001 0.000 0.313 578 F C -1.633 174.388 175.800 0.368 0.000 1.130 578 F CA -0.758 57.503 58.000 0.436 0.000 0.936 578 F CB 1.492 40.733 39.000 0.402 0.000 1.219 578 F HN 0.393 nan 8.300 nan 0.000 0.445 579 D N 4.676 124.813 120.400 -0.438 0.000 2.443 579 D HA 0.384 5.025 4.640 0.001 0.000 0.221 579 D C 0.290 176.296 176.300 -0.489 0.000 1.097 579 D CA 0.171 54.006 54.000 -0.274 0.000 0.865 579 D CB 1.576 42.373 40.800 -0.004 0.000 1.034 579 D HN 0.783 nan 8.370 nan 0.000 0.511 580 G N 1.260 109.920 108.800 -0.233 0.000 2.736 580 G HA2 0.274 4.235 3.960 0.001 0.000 0.229 580 G HA3 0.274 4.235 3.960 0.001 0.000 0.229 580 G C 0.088 175.190 174.900 0.336 0.000 1.380 580 G CA -0.752 44.447 45.100 0.164 0.000 1.040 580 G HN 0.311 nan 8.290 nan 0.000 0.568 581 R N -0.297 120.371 120.500 0.280 0.000 2.504 581 R HA 0.298 4.638 4.340 0.001 0.000 0.291 581 R C 1.226 177.655 176.300 0.215 0.000 0.974 581 R CA 1.543 57.803 56.100 0.267 0.000 1.077 581 R CB 0.135 30.508 30.300 0.123 0.000 0.926 581 R HN 1.063 nan 8.270 nan 0.000 0.407 582 G N 1.589 110.489 108.800 0.167 0.000 2.339 582 G HA2 -0.302 3.658 3.960 0.001 0.000 0.209 582 G HA3 -0.302 3.658 3.960 0.001 0.000 0.209 582 G C 0.205 175.135 174.900 0.051 0.000 1.015 582 G CA -0.014 45.160 45.100 0.124 0.000 0.635 582 G HN 0.656 nan 8.290 nan 0.000 0.499 583 S N 0.455 116.185 115.700 0.049 0.000 2.614 583 S HA 0.486 4.956 4.470 0.001 0.000 0.251 583 S C 0.947 175.478 174.600 -0.116 0.000 1.388 583 S CA 0.470 58.666 58.200 -0.007 0.000 0.973 583 S CB 0.847 64.067 63.200 0.034 0.000 0.926 583 S HN 1.726 nan 8.310 nan 0.000 0.580 584 G N -1.976 106.671 108.800 -0.254 0.000 2.932 584 G HA2 0.517 4.478 3.960 0.001 0.000 0.283 584 G HA3 0.517 4.478 3.960 0.001 0.000 0.283 584 G C -1.195 173.382 174.900 -0.539 0.000 1.336 584 G CA -1.033 43.718 45.100 -0.582 0.000 1.056 584 G HN 0.814 nan 8.290 nan 0.000 0.522 585 Y N -2.084 118.200 120.300 -0.026 0.000 3.929 585 Y HA -0.202 4.348 4.550 0.001 0.000 0.225 585 Y C 1.081 176.951 175.900 -0.050 0.000 1.200 585 Y CA 0.915 58.999 58.100 -0.026 0.000 1.791 585 Y CB -2.444 36.017 38.460 0.002 0.000 1.561 585 Y HN 0.555 nan 8.280 nan 0.000 0.657 586 Q N -0.607 119.143 119.800 -0.082 0.000 1.989 586 Q HA 0.494 4.834 4.340 0.001 0.000 0.215 586 Q C 0.848 176.603 176.000 -0.408 0.000 0.809 586 Q CA 0.145 55.879 55.803 -0.116 0.000 1.024 586 Q CB 1.599 30.276 28.738 -0.102 0.000 1.236 586 Q HN 0.709 nan 8.270 nan 0.000 0.429 587 G N 0.729 109.174 108.800 -0.592 0.000 2.707 587 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 587 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 587 G C -0.456 174.059 174.900 -0.642 0.000 1.315 587 G CA -0.415 44.090 45.100 -0.991 0.000 0.832 587 G HN 0.104 nan 8.290 nan 0.000 0.573 588 D N -0.029 119.985 120.400 -0.643 0.000 2.224 588 D HA -0.036 4.605 4.640 0.001 0.000 0.205 588 D C 2.271 178.312 176.300 -0.432 0.000 0.965 588 D CA 1.310 54.917 54.000 -0.654 0.000 0.852 588 D CB 0.007 40.362 40.800 -0.743 0.000 0.947 588 D HN 0.502 nan 8.370 nan 0.000 0.494 589 K N 1.057 121.249 120.400 -0.347 0.000 2.089 589 K HA -0.142 4.178 4.320 0.001 0.000 0.210 589 K C 1.808 178.323 176.600 -0.142 0.000 1.048 589 K CA 1.193 57.359 56.287 -0.202 0.000 0.926 589 K CB -0.331 32.069 32.500 -0.168 0.000 0.714 589 K HN 0.183 nan 8.250 nan 0.000 0.448 590 I N -0.749 119.719 120.570 -0.171 0.000 2.512 590 I HA -0.076 4.095 4.170 0.001 0.000 0.247 590 I C 2.518 178.614 176.117 -0.034 0.000 1.094 590 I CA 0.819 62.078 61.300 -0.068 0.000 1.427 590 I CB -0.210 37.724 38.000 -0.110 0.000 1.149 590 I HN 0.224 nan 8.210 nan 0.000 0.438 591 M N 0.425 119.955 119.600 -0.118 0.000 2.108 591 M HA -0.271 4.209 4.480 0.001 0.000 0.261 591 M C 2.076 178.461 176.300 0.142 0.000 1.066 591 M CA 2.117 57.399 55.300 -0.031 0.000 1.107 591 M CB -0.359 32.155 32.600 -0.144 0.000 1.356 591 M HN 0.272 nan 8.290 nan 0.000 0.406 592 H N -0.852 118.121 119.070 -0.162 0.000 2.548 592 H HA 0.147 4.704 4.556 0.001 0.000 0.268 592 H C 1.970 177.293 175.328 -0.009 0.000 0.975 592 H CA 0.206 56.147 56.048 -0.179 0.000 1.195 592 H CB 0.114 29.660 29.762 -0.361 0.000 1.397 592 H HN 0.570 nan 8.280 nan 0.000 0.572 593 A N 1.794 124.681 122.820 0.111 0.000 2.104 593 A HA -0.193 4.127 4.320 0.001 0.000 0.223 593 A C 2.080 179.798 177.584 0.223 0.000 1.164 593 A CA 1.584 53.661 52.037 0.066 0.000 0.659 593 A CB -0.875 18.100 19.000 -0.042 0.000 0.808 593 A HN 0.625 nan 8.150 nan 0.000 0.465 594 I N -3.260 117.477 120.570 0.278 0.000 3.941 594 I HA 0.183 4.354 4.170 0.001 0.000 0.335 594 I C 0.345 176.598 176.117 0.227 0.000 1.402 594 I CA -0.541 60.945 61.300 0.310 0.000 1.112 594 I CB -0.430 37.726 38.000 0.259 0.000 1.043 594 I HN 0.258 nan 8.210 nan 0.000 0.395 595 N N 2.961 121.804 118.700 0.237 0.000 2.357 595 N HA -0.082 4.659 4.740 0.001 0.000 0.257 595 N C 0.245 175.810 175.510 0.091 0.000 1.250 595 N CA 0.328 53.509 53.050 0.219 0.000 0.862 595 N CB 0.358 38.892 38.487 0.078 0.000 1.066 595 N HN 0.446 nan 8.380 nan 0.000 0.468 596 R N 0.503 121.031 120.500 0.046 0.000 4.023 596 R HA -0.201 4.140 4.340 0.001 0.000 0.368 596 R C -0.313 175.921 176.300 -0.111 0.000 1.187 596 R CA 1.059 57.136 56.100 -0.039 0.000 1.089 596 R CB -0.910 29.371 30.300 -0.032 0.000 1.574 596 R HN 0.609 nan 8.270 nan 0.000 0.564 597 R N 0.681 121.117 120.500 -0.105 0.000 2.718 597 R HA 0.354 4.694 4.340 0.001 0.000 0.307 597 R C -0.330 176.008 176.300 0.064 0.000 1.244 597 R CA -0.210 55.722 56.100 -0.279 0.000 1.348 597 R CB 0.574 30.657 30.300 -0.360 0.000 1.304 597 R HN 0.057 nan 8.270 nan 0.000 0.663 598 L N -0.194 121.091 121.223 0.103 0.000 2.483 598 L HA 0.168 4.508 4.340 0.001 0.000 0.275 598 L C 1.259 178.330 176.870 0.336 0.000 1.220 598 L CA 0.972 55.854 54.840 0.069 0.000 0.833 598 L CB 0.399 42.203 42.059 -0.424 0.000 1.102 598 L HN 0.737 nan 8.230 nan 0.000 0.490 599 G N 0.769 109.811 108.800 0.404 0.000 2.198 599 G HA2 -0.280 3.680 3.960 0.001 0.000 0.257 599 G HA3 -0.280 3.680 3.960 0.001 0.000 0.257 599 G C 0.443 175.462 174.900 0.199 0.000 1.042 599 G CA 0.601 45.959 45.100 0.429 0.000 0.791 599 G HN 0.905 nan 8.290 nan 0.000 0.502 600 T N -4.158 110.460 114.554 0.106 0.000 3.364 600 T HA 0.429 4.779 4.350 0.001 0.000 0.179 600 T C 1.658 176.308 174.700 -0.082 0.000 0.939 600 T CA 0.933 62.969 62.100 -0.106 0.000 1.094 600 T CB 0.035 68.658 68.868 -0.408 0.000 1.532 600 T HN 0.144 nan 8.240 nan 0.000 0.346 601 F N 3.510 123.515 119.950 0.092 0.000 2.102 601 F HA 0.084 4.611 4.527 0.001 0.000 0.298 601 F C 2.836 178.699 175.800 0.104 0.000 1.105 601 F CA 1.455 59.502 58.000 0.077 0.000 1.239 601 F CB -0.576 38.465 39.000 0.067 0.000 0.991 601 F HN 0.478 nan 8.300 nan 0.000 0.474 602 E N 0.728 121.121 120.200 0.321 0.000 2.265 602 E HA -0.128 4.223 4.350 0.001 0.000 0.196 602 E C 2.039 178.785 176.600 0.242 0.000 0.996 602 E CA 1.415 57.980 56.400 0.275 0.000 0.832 602 E CB -0.999 28.860 29.700 0.266 0.000 0.756 602 E HN 0.317 nan 8.360 nan 0.000 0.491 603 V N 1.468 121.499 119.914 0.195 0.000 2.379 603 V HA -0.151 3.969 4.120 0.001 0.000 0.243 603 V C 2.340 178.494 176.094 0.100 0.000 1.035 603 V CA 1.812 64.184 62.300 0.120 0.000 1.035 603 V CB -0.511 31.345 31.823 0.054 0.000 0.673 603 V HN 0.179 nan 8.190 nan 0.000 0.457 604 E N 0.083 120.346 120.200 0.106 0.000 2.153 604 E HA -0.216 4.135 4.350 0.001 0.000 0.194 604 E C 1.862 178.514 176.600 0.085 0.000 0.988 604 E CA 1.345 57.798 56.400 0.089 0.000 0.811 604 E CB -0.082 29.686 29.700 0.114 0.000 0.746 604 E HN 0.614 nan 8.360 nan 0.000 0.466 605 D N 0.314 120.796 120.400 0.138 0.000 2.123 605 D HA -0.118 4.523 4.640 0.001 0.000 0.200 605 D C 2.010 178.361 176.300 0.085 0.000 0.976 605 D CA 0.663 54.737 54.000 0.123 0.000 0.831 605 D CB -0.065 40.880 40.800 0.242 0.000 0.974 605 D HN 0.093 nan 8.370 nan 0.000 0.469 606 Q N 0.629 120.546 119.800 0.196 0.000 2.096 606 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 606 Q C 2.565 178.612 176.000 0.078 0.000 0.982 606 Q CA 0.629 56.547 55.803 0.192 0.000 0.850 606 Q CB -0.314 28.559 28.738 0.224 0.000 0.901 606 Q HN 0.448 nan 8.270 nan 0.000 0.422 607 I N 0.725 121.355 120.570 0.100 0.000 2.142 607 I HA -0.253 3.917 4.170 0.001 0.000 0.240 607 I C 2.418 178.487 176.117 -0.079 0.000 1.078 607 I CA 1.037 62.416 61.300 0.131 0.000 1.343 607 I CB -0.302 37.768 38.000 0.116 0.000 1.046 607 I HN 0.158 nan 8.210 nan 0.000 0.405 608 E N 1.054 121.157 120.200 -0.161 0.000 2.070 608 E HA -0.257 4.094 4.350 0.001 0.000 0.197 608 E C 2.260 178.564 176.600 -0.493 0.000 1.004 608 E CA 1.705 57.941 56.400 -0.274 0.000 0.805 608 E CB -0.254 29.291 29.700 -0.258 0.000 0.744 608 E HN 0.493 nan 8.360 nan 0.000 0.451 609 A N 1.249 123.629 122.820 -0.733 0.000 1.865 609 A HA -0.184 4.136 4.320 0.001 0.000 0.217 609 A C 2.457 179.326 177.584 -1.192 0.000 1.191 609 A CA 2.746 54.038 52.037 -1.241 0.000 0.623 609 A CB -0.884 17.232 19.000 -1.474 0.000 0.826 609 A HN 0.319 nan 8.150 nan 0.000 0.444 610 A N -0.516 121.973 122.820 -0.552 0.000 1.908 610 A HA -0.198 4.122 4.320 0.001 0.000 0.218 610 A C 2.269 179.641 177.584 -0.353 0.000 1.181 610 A CA 1.924 53.781 52.037 -0.299 0.000 0.627 610 A CB -0.536 18.360 19.000 -0.174 0.000 0.818 610 A HN 0.596 nan 8.150 nan 0.000 0.445 611 R N -0.513 119.777 120.500 -0.351 0.000 2.081 611 R HA -0.176 4.165 4.340 0.001 0.000 0.235 611 R C 2.336 178.467 176.300 -0.281 0.000 1.131 611 R CA 1.819 57.753 56.100 -0.277 0.000 0.960 611 R CB -0.303 29.864 30.300 -0.221 0.000 0.856 611 R HN 0.704 nan 8.270 nan 0.000 0.436 612 Q N -0.476 119.084 119.800 -0.400 0.000 1.990 612 Q HA -0.144 4.196 4.340 0.001 0.000 0.200 612 Q C 2.065 177.915 176.000 -0.250 0.000 0.980 612 Q CA 1.622 57.212 55.803 -0.354 0.000 0.832 612 Q CB -0.223 28.242 28.738 -0.455 0.000 0.897 612 Q HN 0.310 nan 8.270 nan 0.000 0.427 613 F N 1.053 120.856 119.950 -0.245 0.000 2.154 613 F HA -0.234 4.293 4.527 0.001 0.000 0.301 613 F C 2.708 178.372 175.800 -0.226 0.000 1.087 613 F CA 1.252 59.104 58.000 -0.246 0.000 1.274 613 F CB -1.394 37.476 39.000 -0.216 0.000 1.009 613 F HN 0.061 nan 8.300 nan 0.000 0.485 614 S N 0.096 115.767 115.700 -0.048 0.000 2.407 614 S HA -0.234 4.237 4.470 0.001 0.000 0.235 614 S C 1.781 176.313 174.600 -0.114 0.000 1.036 614 S CA 1.562 59.701 58.200 -0.101 0.000 1.013 614 S CB -0.349 62.755 63.200 -0.160 0.000 0.820 614 S HN 0.503 nan 8.310 nan 0.000 0.476 615 K N -0.072 120.254 120.400 -0.125 0.000 2.404 615 K HA 0.245 4.566 4.320 0.001 0.000 0.194 615 K C 0.437 176.947 176.600 -0.150 0.000 1.023 615 K CA -0.140 56.074 56.287 -0.122 0.000 1.094 615 K CB 0.058 32.492 32.500 -0.111 0.000 0.841 615 K HN 0.441 nan 8.250 nan 0.000 0.523 616 M N -0.095 119.380 119.600 -0.209 0.000 2.232 616 M HA 0.012 4.493 4.480 0.001 0.000 0.321 616 M C 1.700 177.777 176.300 -0.372 0.000 1.101 616 M CA 0.149 55.232 55.300 -0.361 0.000 1.181 616 M CB 0.676 32.878 32.600 -0.663 0.000 1.432 616 M HN 0.202 nan 8.290 nan 0.000 0.457 617 G N 1.363 109.945 108.800 -0.363 0.000 2.422 617 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 617 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 617 G C 0.626 175.471 174.900 -0.091 0.000 1.146 617 G CA 0.576 45.572 45.100 -0.173 0.000 0.769 617 G HN 0.757 nan 8.290 nan 0.000 0.547 618 F N 0.171 120.181 119.950 0.100 0.000 2.798 618 F HA 0.707 5.235 4.527 0.001 0.000 0.291 618 F C -0.575 175.378 175.800 0.255 0.000 1.174 618 F CA -1.878 56.237 58.000 0.193 0.000 1.392 618 F CB -0.197 38.915 39.000 0.186 0.000 0.966 618 F HN -0.170 nan 8.300 nan 0.000 0.509 619 V N 0.662 120.640 119.914 0.106 0.000 2.686 619 V HA 0.229 4.350 4.120 0.001 0.000 0.306 619 V C -1.010 175.099 176.094 0.026 0.000 1.065 619 V CA -0.876 61.502 62.300 0.130 0.000 0.894 619 V CB 1.959 33.797 31.823 0.025 0.000 1.004 619 V HN 0.079 nan 8.190 nan 0.000 0.424 620 D N 2.964 123.367 120.400 0.006 0.000 2.336 620 D HA 0.128 4.768 4.640 0.001 0.000 0.249 620 D C 1.337 177.588 176.300 -0.082 0.000 1.213 620 D CA 0.110 54.074 54.000 -0.061 0.000 0.870 620 D CB 0.786 41.514 40.800 -0.120 0.000 1.076 620 D HN 0.750 nan 8.370 nan 0.000 0.483 621 N N 2.943 121.596 118.700 -0.077 0.000 2.223 621 N HA -0.173 4.567 4.740 0.001 0.000 0.185 621 N C 0.512 175.971 175.510 -0.084 0.000 1.016 621 N CA 0.461 53.458 53.050 -0.089 0.000 0.863 621 N CB -0.016 38.419 38.487 -0.087 0.000 0.983 621 N HN 0.248 nan 8.380 nan 0.000 0.429 622 K N 0.423 120.778 120.400 -0.075 0.000 2.630 622 K HA 0.137 4.458 4.320 0.001 0.000 0.204 622 K C -0.131 176.430 176.600 -0.065 0.000 1.024 622 K CA 0.224 56.477 56.287 -0.057 0.000 1.157 622 K CB 0.169 32.639 32.500 -0.049 0.000 0.899 622 K HN 0.231 nan 8.250 nan 0.000 0.501 623 R N 0.938 121.375 120.500 -0.105 0.000 2.857 623 R HA 0.275 4.616 4.340 0.001 0.000 0.216 623 R C -1.324 174.900 176.300 -0.127 0.000 1.555 623 R CA -0.104 55.878 56.100 -0.196 0.000 1.408 623 R CB 0.436 30.401 30.300 -0.558 0.000 1.553 623 R HN 0.033 nan 8.270 nan 0.000 0.708 624 I N 1.077 121.714 120.570 0.112 0.000 2.418 624 I HA 0.610 4.781 4.170 0.001 0.000 0.287 624 I C 0.066 176.427 176.117 0.408 0.000 1.008 624 I CA -0.646 60.773 61.300 0.197 0.000 1.104 624 I CB 1.943 39.916 38.000 -0.046 0.000 1.264 624 I HN 0.323 nan 8.210 nan 0.000 0.438 625 A N 6.915 130.072 122.820 0.561 0.000 2.312 625 A HA 0.935 5.256 4.320 0.001 0.000 0.310 625 A C -0.903 177.020 177.584 0.565 0.000 1.139 625 A CA -0.675 51.661 52.037 0.499 0.000 0.886 625 A CB 1.694 20.840 19.000 0.243 0.000 1.350 625 A HN 0.723 nan 8.150 nan 0.000 0.479 626 I N 0.107 120.938 120.570 0.435 0.000 2.680 626 I HA 0.575 4.746 4.170 0.001 0.000 0.291 626 I C -2.009 174.345 176.117 0.394 0.000 1.244 626 I CA -0.540 60.962 61.300 0.336 0.000 1.042 626 I CB 1.392 39.352 38.000 -0.068 0.000 1.277 626 I HN 0.925 nan 8.210 nan 0.000 0.423 627 W N 7.588 129.023 121.300 0.224 0.000 3.107 627 W HA 0.887 5.548 4.660 0.001 0.000 0.331 627 W C -1.510 175.162 176.519 0.255 0.000 1.204 627 W CA -1.201 56.287 57.345 0.238 0.000 1.184 627 W CB 1.454 31.106 29.460 0.319 0.000 1.421 627 W HN 0.811 nan 8.180 nan 0.000 0.544 628 G N 1.711 110.414 108.800 -0.161 0.000 2.702 628 G HA2 0.413 4.374 3.960 0.001 0.000 0.296 628 G HA3 0.413 4.374 3.960 0.001 0.000 0.296 628 G C -2.561 172.272 174.900 -0.111 0.000 1.463 628 G CA -0.679 44.218 45.100 -0.339 0.000 0.890 628 G HN 0.613 nan 8.290 nan 0.000 0.534 629 W N 1.589 122.747 121.300 -0.237 0.000 2.578 629 W HA 0.612 5.273 4.660 0.001 0.000 0.353 629 W C 1.054 177.655 176.519 0.136 0.000 1.088 629 W CA 0.540 57.864 57.345 -0.036 0.000 1.235 629 W CB 1.909 31.336 29.460 -0.056 0.000 1.362 629 W HN 1.130 nan 8.180 nan 0.000 0.592 630 S N 1.639 117.697 115.700 0.596 0.000 4.138 630 S HA -0.444 4.027 4.470 0.001 0.000 0.574 630 S C 1.168 175.959 174.600 0.319 0.000 1.895 630 S CA 2.013 60.571 58.200 0.596 0.000 4.239 630 S CB -1.918 61.747 63.200 0.774 0.000 0.264 630 S HN 0.746 nan 8.310 nan 0.000 0.489 631 Y N 2.547 122.909 120.300 0.103 0.000 2.181 631 Y HA 0.105 4.656 4.550 0.001 0.000 0.288 631 Y C 2.460 178.304 175.900 -0.093 0.000 1.146 631 Y CA 2.541 60.558 58.100 -0.139 0.000 1.164 631 Y CB -1.188 37.024 38.460 -0.413 0.000 0.982 631 Y HN 0.521 nan 8.280 nan 0.000 0.515 632 G N -0.627 108.254 108.800 0.135 0.000 2.462 632 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 632 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 632 G C 1.877 176.848 174.900 0.118 0.000 1.121 632 G CA 0.769 45.954 45.100 0.142 0.000 0.758 632 G HN 0.627 nan 8.290 nan 0.000 0.559 633 G N 0.017 108.892 108.800 0.125 0.000 2.421 633 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 633 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 633 G C 1.524 176.471 174.900 0.078 0.000 1.171 633 G CA 1.076 46.229 45.100 0.087 0.000 0.775 633 G HN 0.413 nan 8.290 nan 0.000 0.543 634 Y N 1.501 121.735 120.300 -0.110 0.000 2.014 634 Y HA -0.267 4.284 4.550 0.001 0.000 0.272 634 Y C 2.909 178.724 175.900 -0.141 0.000 1.164 634 Y CA 2.315 60.285 58.100 -0.217 0.000 1.114 634 Y CB -0.689 37.483 38.460 -0.479 0.000 0.961 634 Y HN 0.038 nan 8.280 nan 0.000 0.489 635 V N -0.143 119.782 119.914 0.020 0.000 2.231 635 V HA -0.433 3.688 4.120 0.001 0.000 0.250 635 V C 2.323 178.352 176.094 -0.107 0.000 1.058 635 V CA 2.703 64.991 62.300 -0.020 0.000 1.022 635 V CB -1.505 30.414 31.823 0.160 0.000 0.640 635 V HN 0.565 nan 8.190 nan 0.000 0.445 636 T N -0.211 114.320 114.554 -0.040 0.000 2.737 636 T HA -0.218 4.132 4.350 0.001 0.000 0.269 636 T C 2.098 176.740 174.700 -0.097 0.000 1.040 636 T CA 1.969 64.033 62.100 -0.061 0.000 1.142 636 T CB -0.293 68.605 68.868 0.049 0.000 0.861 636 T HN 0.535 nan 8.240 nan 0.000 0.456 637 S N 0.683 116.340 115.700 -0.071 0.000 2.371 637 S HA 0.047 4.517 4.470 0.001 0.000 0.224 637 S C 2.124 176.582 174.600 -0.237 0.000 1.029 637 S CA 0.783 58.940 58.200 -0.071 0.000 0.978 637 S CB -0.212 62.977 63.200 -0.020 0.000 0.833 637 S HN 0.327 nan 8.310 nan 0.000 0.466 638 M N 1.003 120.396 119.600 -0.345 0.000 2.117 638 M HA -0.031 4.450 4.480 0.001 0.000 0.262 638 M C 2.200 178.327 176.300 -0.288 0.000 1.065 638 M CA 1.105 56.193 55.300 -0.353 0.000 1.114 638 M CB -1.360 30.971 32.600 -0.449 0.000 1.361 638 M HN 0.172 nan 8.290 nan 0.000 0.408 639 V N 0.638 120.381 119.914 -0.285 0.000 2.270 639 V HA -0.245 3.876 4.120 0.001 0.000 0.245 639 V C 2.542 178.413 176.094 -0.371 0.000 1.043 639 V CA 1.373 63.490 62.300 -0.305 0.000 1.014 639 V CB -0.669 30.896 31.823 -0.430 0.000 0.645 639 V HN 0.410 nan 8.190 nan 0.000 0.447 640 L N 0.409 121.359 121.223 -0.456 0.000 2.189 640 L HA -0.132 4.209 4.340 0.001 0.000 0.214 640 L C 1.988 178.383 176.870 -0.791 0.000 1.097 640 L CA 1.602 56.111 54.840 -0.551 0.000 0.764 640 L CB -0.674 41.050 42.059 -0.559 0.000 0.900 640 L HN 0.525 nan 8.230 nan 0.000 0.436 641 G N -1.745 106.596 108.800 -0.764 0.000 3.605 641 G HA2 0.089 4.049 3.960 0.001 0.000 0.277 641 G HA3 0.089 4.049 3.960 0.001 0.000 0.277 641 G C 1.288 176.026 174.900 -0.270 0.000 1.093 641 G CA 0.481 45.211 45.100 -0.617 0.000 0.821 641 G HN 0.391 nan 8.290 nan 0.000 0.532 642 S N -0.648 114.920 115.700 -0.220 0.000 2.362 642 S HA 0.325 4.795 4.470 0.001 0.000 0.221 642 S C 1.941 176.496 174.600 -0.076 0.000 1.032 642 S CA 1.406 59.535 58.200 -0.117 0.000 0.973 642 S CB -0.090 63.063 63.200 -0.078 0.000 0.849 642 S HN 1.343 nan 8.310 nan 0.000 0.465 643 G N 0.597 109.357 108.800 -0.068 0.000 2.229 643 G HA2 -0.273 3.687 3.960 0.001 0.000 0.189 643 G HA3 -0.273 3.687 3.960 0.001 0.000 0.189 643 G C 1.124 176.016 174.900 -0.014 0.000 1.000 643 G CA 0.781 45.857 45.100 -0.040 0.000 0.663 643 G HN 1.185 nan 8.290 nan 0.000 0.493 644 S N 0.494 116.197 115.700 0.005 0.000 2.407 644 S HA 0.175 4.646 4.470 0.001 0.000 0.235 644 S C 2.680 177.291 174.600 0.019 0.000 1.036 644 S CA 2.053 60.270 58.200 0.028 0.000 1.013 644 S CB -0.754 62.502 63.200 0.092 0.000 0.820 644 S HN 2.458 nan 8.310 nan 0.000 0.476 645 G N -0.088 108.733 108.800 0.036 0.000 2.180 645 G HA2 -0.287 3.674 3.960 0.001 0.000 0.263 645 G HA3 -0.287 3.674 3.960 0.001 0.000 0.263 645 G C 0.683 175.577 174.900 -0.010 0.000 0.989 645 G CA 0.488 45.600 45.100 0.020 0.000 0.692 645 G HN 0.858 nan 8.290 nan 0.000 0.526 646 V N -1.205 118.690 119.914 -0.032 0.000 2.788 646 V HA 0.285 4.406 4.120 0.001 0.000 0.251 646 V C 1.195 177.028 176.094 -0.436 0.000 1.068 646 V CA 1.253 63.388 62.300 -0.276 0.000 1.090 646 V CB -0.392 31.138 31.823 -0.488 0.000 0.710 646 V HN 0.311 nan 8.190 nan 0.000 0.467 647 F N -0.120 119.840 119.950 0.016 0.000 2.450 647 F HA 0.452 4.980 4.527 0.001 0.000 0.332 647 F C 1.100 176.936 175.800 0.059 0.000 1.093 647 F CA -0.618 57.416 58.000 0.056 0.000 1.003 647 F CB 1.781 40.814 39.000 0.056 0.000 1.151 647 F HN -0.289 nan 8.300 nan 0.000 0.474 648 K N 1.241 121.798 120.400 0.260 0.000 2.078 648 K HA 0.126 4.447 4.320 0.001 0.000 0.203 648 K C 0.174 176.895 176.600 0.201 0.000 1.043 648 K CA 0.893 57.295 56.287 0.192 0.000 0.960 648 K CB 0.260 32.876 32.500 0.193 0.000 0.761 648 K HN 0.813 nan 8.250 nan 0.000 0.448 649 c N -2.233 116.510 118.600 0.237 0.000 3.307 649 c HA 0.959 5.530 4.570 0.001 0.000 0.350 649 c C -0.010 174.266 174.090 0.310 0.000 1.549 649 c CA -0.378 56.093 56.329 0.236 0.000 1.396 649 c CB 1.036 43.576 42.510 0.050 0.000 1.970 649 c HN 0.471 nan 8.230 nan 0.000 0.441 650 G N -0.311 108.748 108.800 0.432 0.000 2.489 650 G HA2 0.611 4.571 3.960 0.001 0.000 0.291 650 G HA3 0.611 4.571 3.960 0.001 0.000 0.291 650 G C -2.074 173.108 174.900 0.470 0.000 1.487 650 G CA -0.655 44.697 45.100 0.421 0.000 0.795 650 G HN 0.993 nan 8.290 nan 0.000 0.513 651 I N 0.713 121.517 120.570 0.390 0.000 2.466 651 I HA 0.607 4.778 4.170 0.001 0.000 0.289 651 I C 0.169 176.415 176.117 0.214 0.000 1.026 651 I CA -1.006 60.420 61.300 0.212 0.000 1.078 651 I CB 2.200 40.343 38.000 0.239 0.000 1.249 651 I HN 0.695 nan 8.210 nan 0.000 0.429 652 A N 6.819 129.659 122.820 0.034 0.000 2.267 652 A HA 0.739 5.059 4.320 0.001 0.000 0.315 652 A C -0.583 176.937 177.584 -0.105 0.000 1.297 652 A CA -0.488 51.577 52.037 0.045 0.000 0.865 652 A CB 0.829 19.922 19.000 0.154 0.000 1.165 652 A HN 0.446 nan 8.150 nan 0.000 0.513 653 V N 2.042 121.842 119.914 -0.191 0.000 2.427 653 V HA 0.555 4.675 4.120 0.001 0.000 0.286 653 V C 1.152 176.911 176.094 -0.557 0.000 1.034 653 V CA 0.138 62.097 62.300 -0.567 0.000 0.893 653 V CB 0.911 32.054 31.823 -1.134 0.000 0.982 653 V HN 1.920 nan 8.190 nan 0.000 0.452 654 A N 5.151 127.636 122.820 -0.558 0.000 2.352 654 A HA -0.124 4.197 4.320 0.001 0.000 0.286 654 A C -1.559 176.003 177.584 -0.036 0.000 1.415 654 A CA 0.667 52.335 52.037 -0.615 0.000 0.784 654 A CB -1.579 17.127 19.000 -0.490 0.000 1.065 654 A HN 0.665 nan 8.150 nan 0.000 0.378 655 P HA 0.482 nan 4.420 nan 0.000 0.278 655 P C -0.104 177.242 177.300 0.075 0.000 1.266 655 P CA -0.440 62.717 63.100 0.095 0.000 0.807 655 P CB 1.246 32.992 31.700 0.076 0.000 1.094 656 V N 1.168 121.043 119.914 -0.065 0.000 2.481 656 V HA 0.137 4.258 4.120 0.001 0.000 0.286 656 V C 1.636 177.691 176.094 -0.064 0.000 1.042 656 V CA 0.414 62.567 62.300 -0.245 0.000 0.928 656 V CB 0.907 32.236 31.823 -0.822 0.000 0.986 656 V HN 0.771 nan 8.190 nan 0.000 0.462 657 S N 4.066 119.725 115.700 -0.069 0.000 2.566 657 S HA 0.209 4.680 4.470 0.001 0.000 0.234 657 S C 0.664 175.221 174.600 -0.072 0.000 1.075 657 S CA -0.262 57.926 58.200 -0.020 0.000 0.926 657 S CB 0.232 63.429 63.200 -0.005 0.000 0.811 657 S HN 0.759 nan 8.310 nan 0.000 0.518 658 R N -0.944 119.439 120.500 -0.195 0.000 2.548 658 R HA 0.343 4.683 4.340 0.001 0.000 0.280 658 R C -1.077 174.998 176.300 -0.376 0.000 1.061 658 R CA -0.801 55.112 56.100 -0.312 0.000 0.915 658 R CB 0.422 30.497 30.300 -0.375 0.000 1.210 658 R HN 0.225 nan 8.270 nan 0.000 0.442 659 W N 1.994 123.290 121.300 -0.007 0.000 2.538 659 W HA -0.024 4.636 4.660 0.001 0.000 0.254 659 W C 0.975 177.620 176.519 0.210 0.000 1.249 659 W CA 0.503 57.919 57.345 0.118 0.000 1.253 659 W CB 0.314 29.843 29.460 0.116 0.000 1.130 659 W HN 0.712 nan 8.180 nan 0.000 0.618 660 E N -1.399 118.881 120.200 0.133 0.000 2.481 660 E HA -0.117 4.233 4.350 0.001 0.000 0.195 660 E C 1.029 177.679 176.600 0.083 0.000 1.047 660 E CA 0.596 56.994 56.400 -0.004 0.000 0.867 660 E CB -0.158 29.406 29.700 -0.226 0.000 0.858 660 E HN 0.345 nan 8.360 nan 0.000 0.513 661 Y N -1.279 119.087 120.300 0.110 0.000 2.500 661 Y HA 0.091 4.642 4.550 0.001 0.000 0.270 661 Y C 0.611 176.552 175.900 0.068 0.000 1.134 661 Y CA -0.462 57.666 58.100 0.047 0.000 1.293 661 Y CB -0.316 38.132 38.460 -0.021 0.000 1.063 661 Y HN 0.022 nan 8.280 nan 0.000 0.534 662 Y N 1.997 122.423 120.300 0.209 0.000 2.334 662 Y HA 0.250 4.800 4.550 0.001 0.000 0.325 662 Y C 0.517 176.620 175.900 0.339 0.000 1.308 662 Y CA -1.843 56.396 58.100 0.231 0.000 1.389 662 Y CB 0.306 38.965 38.460 0.332 0.000 1.328 662 Y HN 0.215 nan 8.280 nan 0.000 0.532 663 D N -0.430 119.635 120.400 -0.559 0.000 2.357 663 D HA 0.111 4.751 4.640 0.001 0.000 0.242 663 D C 0.866 177.151 176.300 -0.025 0.000 1.153 663 D CA 0.331 54.129 54.000 -0.336 0.000 0.918 663 D CB 0.909 41.216 40.800 -0.821 0.000 1.181 663 D HN 0.505 nan 8.370 nan 0.000 0.435 664 S N 1.340 117.018 115.700 -0.038 0.000 2.398 664 S HA -0.262 4.208 4.470 0.001 0.000 0.220 664 S C 2.050 176.679 174.600 0.049 0.000 1.038 664 S CA 1.409 59.637 58.200 0.046 0.000 1.080 664 S CB -1.281 61.944 63.200 0.041 0.000 1.039 664 S HN 0.474 nan 8.310 nan 0.000 0.419 665 V N 1.477 121.362 119.914 -0.049 0.000 2.233 665 V HA -0.275 3.845 4.120 0.001 0.000 0.252 665 V C 2.260 178.319 176.094 -0.057 0.000 1.063 665 V CA 2.544 64.761 62.300 -0.139 0.000 1.032 665 V CB -1.340 30.242 31.823 -0.401 0.000 0.645 665 V HN 0.555 nan 8.190 nan 0.000 0.446 666 Y N 1.456 121.749 120.300 -0.011 0.000 2.036 666 Y HA -0.313 4.237 4.550 0.001 0.000 0.273 666 Y C 2.765 178.716 175.900 0.084 0.000 1.135 666 Y CA 2.726 60.910 58.100 0.139 0.000 1.106 666 Y CB -0.849 37.900 38.460 0.482 0.000 0.976 666 Y HN 0.304 nan 8.280 nan 0.000 0.483 667 T N 0.357 115.165 114.554 0.423 0.000 2.516 667 T HA -0.321 4.029 4.350 0.001 0.000 0.261 667 T C 1.530 176.181 174.700 -0.081 0.000 1.130 667 T CA 2.092 64.349 62.100 0.263 0.000 1.193 667 T CB -0.786 68.382 68.868 0.501 0.000 0.864 667 T HN 0.449 nan 8.240 nan 0.000 0.410 668 E N 0.453 120.665 120.200 0.019 0.000 2.352 668 E HA -0.216 4.135 4.350 0.001 0.000 0.203 668 E C 2.273 178.744 176.600 -0.215 0.000 1.024 668 E CA 0.778 57.165 56.400 -0.022 0.000 0.842 668 E CB -0.195 29.536 29.700 0.051 0.000 0.753 668 E HN 0.353 nan 8.360 nan 0.000 0.508 669 R N -0.241 119.961 120.500 -0.497 0.000 2.075 669 R HA -0.135 4.206 4.340 0.001 0.000 0.232 669 R C 1.253 177.008 176.300 -0.907 0.000 1.126 669 R CA 1.346 56.973 56.100 -0.789 0.000 0.963 669 R CB 0.045 29.552 30.300 -1.323 0.000 0.858 669 R HN 0.217 nan 8.270 nan 0.000 0.435 670 Y N -1.729 118.246 120.300 -0.541 0.000 2.478 670 Y HA 0.193 4.743 4.550 0.001 0.000 0.261 670 Y C 1.503 177.193 175.900 -0.350 0.000 1.127 670 Y CA 0.108 57.892 58.100 -0.527 0.000 1.288 670 Y CB 0.525 38.542 38.460 -0.739 0.000 1.084 670 Y HN 0.011 nan 8.280 nan 0.000 0.530 671 M N -1.080 118.360 119.600 -0.266 0.000 2.296 671 M HA 0.391 4.872 4.480 0.001 0.000 0.291 671 M C 1.102 177.350 176.300 -0.087 0.000 1.013 671 M CA 0.765 55.906 55.300 -0.265 0.000 1.089 671 M CB -0.080 32.195 32.600 -0.542 0.000 1.677 671 M HN 0.213 nan 8.290 nan 0.000 0.584 672 G N 2.108 110.894 108.800 -0.023 0.000 2.750 672 G HA2 -0.228 3.732 3.960 0.001 0.000 0.228 672 G HA3 -0.228 3.732 3.960 0.001 0.000 0.228 672 G C -0.534 174.482 174.900 0.192 0.000 1.367 672 G CA -0.779 44.357 45.100 0.059 0.000 0.871 672 G HN 0.359 nan 8.290 nan 0.000 0.560 673 L N 1.587 122.909 121.223 0.165 0.000 2.331 673 L HA 0.347 4.688 4.340 0.001 0.000 0.278 673 L C -1.000 175.980 176.870 0.184 0.000 1.106 673 L CA -1.563 53.370 54.840 0.154 0.000 0.824 673 L CB 1.335 43.434 42.059 0.068 0.000 1.142 673 L HN 0.475 nan 8.230 nan 0.000 0.443 674 P HA -0.027 nan 4.420 nan 0.000 0.285 674 P C 0.052 177.284 177.300 -0.113 0.000 1.521 674 P CA 0.112 63.000 63.100 -0.354 0.000 0.792 674 P CB -0.649 30.478 31.700 -0.955 0.000 1.613 675 T N -3.755 110.800 114.554 0.000 0.000 2.952 675 T HA 0.398 4.749 4.350 0.001 0.000 0.286 675 T C -1.704 173.017 174.700 0.036 0.000 1.024 675 T CA -2.261 59.842 62.100 0.005 0.000 1.029 675 T CB 1.711 70.582 68.868 0.007 0.000 1.094 675 T HN -0.207 nan 8.240 nan 0.000 0.515 676 P HA -0.051 nan 4.420 nan 0.000 0.220 676 P C 0.508 177.828 177.300 0.033 0.000 1.148 676 P CA 1.049 64.168 63.100 0.032 0.000 0.803 676 P CB 0.040 31.752 31.700 0.021 0.000 0.782 677 E N -0.841 119.376 120.200 0.027 0.000 2.463 677 E HA 0.009 4.359 4.350 0.001 0.000 0.191 677 E C 0.850 177.469 176.600 0.032 0.000 1.083 677 E CA 0.306 56.720 56.400 0.024 0.000 0.872 677 E CB -0.131 29.578 29.700 0.015 0.000 0.966 677 E HN 0.287 nan 8.360 nan 0.000 0.491 678 D N -0.962 119.468 120.400 0.050 0.000 2.583 678 D HA 0.061 4.702 4.640 0.001 0.000 0.123 678 D C -0.169 176.187 176.300 0.093 0.000 1.382 678 D CA -0.154 53.885 54.000 0.064 0.000 1.522 678 D CB -0.140 40.703 40.800 0.071 0.000 1.976 678 D HN -0.056 nan 8.370 nan 0.000 0.191 679 N N 0.358 119.150 118.700 0.154 0.000 2.291 679 N HA 0.142 4.882 4.740 0.001 0.000 0.244 679 N C 1.026 176.733 175.510 0.329 0.000 1.216 679 N CA -0.061 53.111 53.050 0.204 0.000 0.879 679 N CB 0.397 38.986 38.487 0.170 0.000 1.167 679 N HN 0.117 nan 8.380 nan 0.000 0.515 680 L N 0.441 121.808 121.223 0.239 0.000 2.079 680 L HA -0.106 4.234 4.340 0.001 0.000 0.210 680 L C 1.193 178.182 176.870 0.199 0.000 1.081 680 L CA 1.935 56.899 54.840 0.208 0.000 0.752 680 L CB -0.346 41.761 42.059 0.080 0.000 0.896 680 L HN 0.144 nan 8.230 nan 0.000 0.433 681 D N -1.816 118.677 120.400 0.154 0.000 2.178 681 D HA -0.214 4.427 4.640 0.001 0.000 0.201 681 D C 1.944 178.344 176.300 0.166 0.000 0.980 681 D CA 1.318 55.395 54.000 0.130 0.000 0.842 681 D CB -0.023 40.836 40.800 0.098 0.000 0.948 681 D HN 0.553 nan 8.370 nan 0.000 0.472 682 H N -0.776 118.343 119.070 0.083 0.000 2.448 682 H HA -0.019 4.537 4.556 0.001 0.000 0.292 682 H C 1.569 176.941 175.328 0.072 0.000 1.035 682 H CA 1.038 57.107 56.048 0.034 0.000 1.349 682 H CB -0.211 29.525 29.762 -0.044 0.000 1.425 682 H HN 0.090 nan 8.280 nan 0.000 0.539 683 Y N 0.842 121.109 120.300 -0.055 0.000 2.049 683 Y HA -0.209 4.341 4.550 0.001 0.000 0.277 683 Y C 2.508 178.359 175.900 -0.081 0.000 1.143 683 Y CA 1.794 59.862 58.100 -0.053 0.000 1.115 683 Y CB -0.076 38.392 38.460 0.014 0.000 0.975 683 Y HN 0.099 nan 8.280 nan 0.000 0.487 684 R N 0.299 120.882 120.500 0.139 0.000 2.249 684 R HA -0.141 4.200 4.340 0.001 0.000 0.230 684 R C 1.301 177.606 176.300 0.009 0.000 1.121 684 R CA 0.821 56.950 56.100 0.047 0.000 0.997 684 R CB -0.709 29.616 30.300 0.042 0.000 0.867 684 R HN 0.432 nan 8.270 nan 0.000 0.465 685 N N 0.239 118.927 118.700 -0.019 0.000 2.424 685 N HA -0.035 4.706 4.740 0.001 0.000 0.178 685 N C 0.358 175.826 175.510 -0.069 0.000 1.060 685 N CA 0.638 53.675 53.050 -0.022 0.000 0.901 685 N CB 0.358 38.887 38.487 0.070 0.000 0.979 685 N HN 0.153 nan 8.380 nan 0.000 0.451 686 S N -0.627 114.989 115.700 -0.139 0.000 2.562 686 S HA 0.128 4.598 4.470 0.001 0.000 0.246 686 S C 0.400 175.020 174.600 0.034 0.000 1.056 686 S CA -0.770 57.403 58.200 -0.045 0.000 1.042 686 S CB -0.403 62.760 63.200 -0.061 0.000 0.822 686 S HN 0.140 nan 8.310 nan 0.000 0.465 687 T N -1.554 112.985 114.554 -0.025 0.000 2.909 687 T HA 0.499 4.850 4.350 0.001 0.000 0.286 687 T C 1.289 175.932 174.700 -0.095 0.000 1.002 687 T CA -0.686 61.383 62.100 -0.050 0.000 1.074 687 T CB 1.432 70.263 68.868 -0.062 0.000 0.984 687 T HN -0.024 nan 8.240 nan 0.000 0.495 688 V N 2.149 121.986 119.914 -0.128 0.000 2.515 688 V HA -0.130 3.990 4.120 0.001 0.000 0.250 688 V C 2.522 178.550 176.094 -0.110 0.000 1.058 688 V CA 1.499 63.707 62.300 -0.154 0.000 1.064 688 V CB -0.994 30.725 31.823 -0.173 0.000 0.675 688 V HN 0.804 nan 8.190 nan 0.000 0.461 689 M N 1.253 120.790 119.600 -0.104 0.000 2.115 689 M HA -0.220 4.261 4.480 0.001 0.000 0.258 689 M C 2.548 178.805 176.300 -0.071 0.000 1.071 689 M CA 2.514 57.754 55.300 -0.099 0.000 1.100 689 M CB -1.212 31.351 32.600 -0.062 0.000 1.292 689 M HN 0.530 nan 8.290 nan 0.000 0.415 690 S N -0.115 115.555 115.700 -0.050 0.000 2.444 690 S HA -0.224 4.246 4.470 0.001 0.000 0.244 690 S C 1.712 176.300 174.600 -0.019 0.000 1.025 690 S CA 1.477 59.658 58.200 -0.031 0.000 0.995 690 S CB -0.713 62.471 63.200 -0.027 0.000 0.781 690 S HN 0.568 nan 8.310 nan 0.000 0.496 691 R N 0.645 121.137 120.500 -0.013 0.000 2.426 691 R HA 0.524 4.864 4.340 0.001 0.000 0.263 691 R C 2.100 178.470 176.300 0.115 0.000 0.961 691 R CA 0.386 56.501 56.100 0.026 0.000 1.086 691 R CB -0.274 30.026 30.300 0.000 0.000 1.186 691 R HN 0.471 nan 8.270 nan 0.000 0.537 692 A N 1.792 124.632 122.820 0.034 0.000 1.852 692 A HA -0.313 4.007 4.320 0.001 0.000 0.217 692 A C 2.008 179.656 177.584 0.107 0.000 1.215 692 A CA 1.960 53.986 52.037 -0.019 0.000 0.641 692 A CB -0.512 18.426 19.000 -0.103 0.000 0.838 692 A HN 0.428 nan 8.150 nan 0.000 0.450 693 E N -0.146 120.090 120.200 0.060 0.000 2.253 693 E HA -0.248 4.103 4.350 0.001 0.000 0.202 693 E C 1.778 178.435 176.600 0.094 0.000 1.014 693 E CA 1.596 58.037 56.400 0.068 0.000 0.823 693 E CB -0.173 29.549 29.700 0.037 0.000 0.736 693 E HN 0.634 nan 8.360 nan 0.000 0.478 694 N N -0.466 118.293 118.700 0.098 0.000 2.188 694 N HA -0.131 4.609 4.740 0.001 0.000 0.184 694 N C 1.335 176.862 175.510 0.028 0.000 1.018 694 N CA 0.903 53.970 53.050 0.029 0.000 0.858 694 N CB -0.317 38.141 38.487 -0.049 0.000 0.989 694 N HN 0.247 nan 8.380 nan 0.000 0.426 695 F N 2.056 121.954 119.950 -0.088 0.000 2.323 695 F HA -0.170 4.357 4.527 0.001 0.000 0.301 695 F C 2.107 177.906 175.800 -0.000 0.000 1.060 695 F CA 0.962 58.911 58.000 -0.085 0.000 1.398 695 F CB -0.069 38.833 39.000 -0.163 0.000 1.075 695 F HN -0.008 nan 8.300 nan 0.000 0.540 696 K N -0.203 120.297 120.400 0.166 0.000 2.281 696 K HA -0.192 4.129 4.320 0.001 0.000 0.203 696 K C 1.547 178.207 176.600 0.099 0.000 1.046 696 K CA 0.955 57.320 56.287 0.130 0.000 0.938 696 K CB -0.223 32.333 32.500 0.093 0.000 0.737 696 K HN 0.427 nan 8.250 nan 0.000 0.458 697 Q N 0.573 120.410 119.800 0.061 0.000 2.360 697 Q HA 0.031 4.372 4.340 0.001 0.000 0.202 697 Q C 0.378 176.413 176.000 0.058 0.000 0.915 697 Q CA 0.249 56.080 55.803 0.046 0.000 0.943 697 Q CB 0.669 29.418 28.738 0.019 0.000 1.064 697 Q HN 0.154 nan 8.270 nan 0.000 0.511 698 V N -3.228 116.732 119.914 0.078 0.000 3.130 698 V HA 0.479 4.600 4.120 0.001 0.000 0.310 698 V C -0.961 175.269 176.094 0.226 0.000 1.158 698 V CA -1.230 61.140 62.300 0.117 0.000 1.029 698 V CB 2.309 34.154 31.823 0.036 0.000 1.057 698 V HN -0.054 nan 8.190 nan 0.000 0.436 699 E N 1.758 122.117 120.200 0.266 0.000 2.014 699 E HA 0.358 4.709 4.350 0.001 0.000 0.275 699 E C -1.765 175.199 176.600 0.606 0.000 0.997 699 E CA -0.310 56.315 56.400 0.376 0.000 0.804 699 E CB 1.203 31.037 29.700 0.223 0.000 1.090 699 E HN 0.669 nan 8.360 nan 0.000 0.401 700 Y N 3.569 124.142 120.300 0.454 0.000 2.342 700 Y HA 0.429 4.980 4.550 0.001 0.000 0.334 700 Y C -1.261 174.765 175.900 0.211 0.000 1.067 700 Y CA -1.351 56.978 58.100 0.382 0.000 1.128 700 Y CB 0.844 39.553 38.460 0.416 0.000 1.200 700 Y HN 0.358 nan 8.280 nan 0.000 0.464 701 L N 8.218 129.182 121.223 -0.432 0.000 2.388 701 L HA 0.451 4.792 4.340 0.001 0.000 0.267 701 L C -2.072 174.352 176.870 -0.742 0.000 0.995 701 L CA -0.810 53.581 54.840 -0.747 0.000 0.864 701 L CB 0.981 42.178 42.059 -1.436 0.000 1.216 701 L HN 0.667 nan 8.230 nan 0.000 0.430 702 L N 6.237 127.048 121.223 -0.687 0.000 2.265 702 L HA 0.633 4.974 4.340 0.001 0.000 0.288 702 L C -0.895 175.873 176.870 -0.170 0.000 1.058 702 L CA 0.322 54.864 54.840 -0.497 0.000 0.809 702 L CB 0.651 42.474 42.059 -0.394 0.000 1.179 702 L HN 0.554 nan 8.230 nan 0.000 0.429 703 I N 4.770 125.262 120.570 -0.130 0.000 2.608 703 I HA 0.454 4.624 4.170 0.001 0.000 0.295 703 I C -1.173 174.973 176.117 0.048 0.000 1.049 703 I CA -0.786 60.508 61.300 -0.011 0.000 1.063 703 I CB 1.921 39.856 38.000 -0.107 0.000 1.248 703 I HN 0.686 nan 8.210 nan 0.000 0.424 704 H N 2.408 121.562 119.070 0.139 0.000 3.155 704 H HA 0.364 4.920 4.556 0.001 0.000 0.328 704 H C -0.328 175.268 175.328 0.446 0.000 1.059 704 H CA -0.488 55.673 56.048 0.189 0.000 1.378 704 H CB 1.612 31.404 29.762 0.050 0.000 1.998 704 H HN 0.750 nan 8.280 nan 0.000 0.480 705 G N 1.856 110.913 108.800 0.428 0.000 2.361 705 G HA2 0.163 4.124 3.960 0.001 0.000 0.260 705 G HA3 0.163 4.124 3.960 0.001 0.000 0.260 705 G C 1.230 176.425 174.900 0.491 0.000 1.261 705 G CA 0.201 45.570 45.100 0.448 0.000 0.897 705 G HN 0.776 nan 8.290 nan 0.000 0.499 706 T N -0.166 114.554 114.554 0.278 0.000 2.881 706 T HA -0.029 4.322 4.350 0.001 0.000 0.270 706 T C 1.855 176.584 174.700 0.047 0.000 1.068 706 T CA 1.394 63.489 62.100 -0.008 0.000 1.131 706 T CB 0.089 68.882 68.868 -0.126 0.000 0.871 706 T HN 0.691 nan 8.240 nan 0.000 0.479 707 A N 0.891 123.802 122.820 0.152 0.000 2.507 707 A HA 0.279 4.599 4.320 0.001 0.000 0.270 707 A C 0.526 178.093 177.584 -0.028 0.000 1.318 707 A CA -0.474 51.637 52.037 0.125 0.000 0.924 707 A CB -0.302 18.999 19.000 0.501 0.000 1.061 707 A HN 0.392 nan 8.150 nan 0.000 0.516 708 D N 1.538 121.952 120.400 0.023 0.000 2.363 708 D HA -0.018 4.623 4.640 0.001 0.000 0.263 708 D C 0.291 176.545 176.300 -0.077 0.000 1.258 708 D CA 0.296 54.380 54.000 0.139 0.000 0.907 708 D CB 0.691 41.704 40.800 0.355 0.000 1.107 708 D HN 0.572 nan 8.370 nan 0.000 0.495 709 D N 2.330 122.739 120.400 0.015 0.000 2.354 709 D HA -0.106 4.534 4.640 0.001 0.000 0.209 709 D C 0.893 177.161 176.300 -0.054 0.000 1.015 709 D CA -0.186 53.764 54.000 -0.084 0.000 0.867 709 D CB 0.420 41.167 40.800 -0.088 0.000 0.933 709 D HN 0.188 nan 8.370 nan 0.000 0.520 710 N N 0.939 119.698 118.700 0.098 0.000 2.272 710 N HA -0.040 4.700 4.740 0.001 0.000 0.195 710 N C 0.375 175.792 175.510 -0.154 0.000 1.048 710 N CA 0.680 53.781 53.050 0.085 0.000 0.912 710 N CB 0.371 38.897 38.487 0.065 0.000 1.096 710 N HN -0.096 nan 8.380 nan 0.000 0.471 711 V N 4.182 124.044 119.914 -0.086 0.000 2.169 711 V HA 0.142 4.262 4.120 0.001 0.000 0.271 711 V C -0.734 175.427 176.094 0.112 0.000 1.372 711 V CA -0.551 61.752 62.300 0.005 0.000 1.348 711 V CB -1.196 30.683 31.823 0.094 0.000 1.379 711 V HN 0.318 nan 8.190 nan 0.000 0.491 712 H N 1.297 120.327 119.070 -0.067 0.000 3.184 712 H HA -0.187 4.370 4.556 0.001 0.000 0.300 712 H C 1.031 176.274 175.328 -0.142 0.000 0.950 712 H CA 0.609 56.573 56.048 -0.139 0.000 1.338 712 H CB 0.172 29.759 29.762 -0.291 0.000 1.219 712 H HN 0.497 nan 8.280 nan 0.000 0.582 713 F N 2.144 121.999 119.950 -0.158 0.000 2.184 713 F HA -0.328 4.200 4.527 0.001 0.000 0.301 713 F C 2.613 178.153 175.800 -0.432 0.000 1.076 713 F CA 2.170 59.904 58.000 -0.444 0.000 1.295 713 F CB -0.165 38.734 39.000 -0.168 0.000 1.026 713 F HN 0.745 nan 8.300 nan 0.000 0.494 714 Q N 0.084 119.773 119.800 -0.185 0.000 2.156 714 Q HA -0.321 4.020 4.340 0.001 0.000 0.211 714 Q C 2.003 177.747 176.000 -0.426 0.000 0.995 714 Q CA 2.244 57.872 55.803 -0.291 0.000 0.877 714 Q CB -0.363 28.180 28.738 -0.324 0.000 0.920 714 Q HN 0.578 nan 8.270 nan 0.000 0.416 715 Q N 0.337 119.897 119.800 -0.401 0.000 1.891 715 Q HA -0.133 4.207 4.340 0.001 0.000 0.214 715 Q C 2.300 178.103 176.000 -0.329 0.000 0.995 715 Q CA 1.855 57.500 55.803 -0.264 0.000 0.866 715 Q CB -0.632 28.029 28.738 -0.129 0.000 0.931 715 Q HN 0.351 nan 8.270 nan 0.000 0.422 716 S N 1.009 116.404 115.700 -0.509 0.000 2.493 716 S HA -0.090 4.381 4.470 0.001 0.000 0.243 716 S C 1.818 176.118 174.600 -0.500 0.000 0.991 716 S CA 0.753 58.685 58.200 -0.446 0.000 0.957 716 S CB -0.206 62.717 63.200 -0.462 0.000 0.756 716 S HN 0.459 nan 8.310 nan 0.000 0.521 717 A N 1.156 123.621 122.820 -0.592 0.000 1.874 717 A HA -0.033 4.287 4.320 0.001 0.000 0.214 717 A C 2.163 179.625 177.584 -0.204 0.000 1.189 717 A CA 0.733 52.534 52.037 -0.394 0.000 0.615 717 A CB -0.333 18.495 19.000 -0.286 0.000 0.830 717 A HN 0.326 nan 8.150 nan 0.000 0.443 718 Q N -0.216 119.468 119.800 -0.193 0.000 2.230 718 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 718 Q C 2.065 178.001 176.000 -0.107 0.000 0.963 718 Q CA 0.927 56.669 55.803 -0.101 0.000 0.866 718 Q CB -0.318 28.408 28.738 -0.020 0.000 0.931 718 Q HN 0.772 nan 8.270 nan 0.000 0.452 719 I N 0.869 121.346 120.570 -0.155 0.000 2.133 719 I HA -0.279 3.891 4.170 0.001 0.000 0.238 719 I C 2.515 178.481 176.117 -0.251 0.000 1.074 719 I CA 1.492 62.665 61.300 -0.212 0.000 1.342 719 I CB -0.540 37.331 38.000 -0.214 0.000 1.053 719 I HN 0.188 nan 8.210 nan 0.000 0.404 720 S N 0.898 116.498 115.700 -0.167 0.000 2.400 720 S HA -0.289 4.182 4.470 0.001 0.000 0.232 720 S C 2.022 176.671 174.600 0.082 0.000 1.025 720 S CA 1.640 59.862 58.200 0.036 0.000 0.993 720 S CB -0.435 62.949 63.200 0.307 0.000 0.808 720 S HN 0.389 nan 8.310 nan 0.000 0.478 721 K N 1.478 121.877 120.400 -0.002 0.000 2.057 721 K HA 0.080 4.401 4.320 0.001 0.000 0.206 721 K C 2.298 178.889 176.600 -0.015 0.000 1.050 721 K CA 1.139 57.429 56.287 0.004 0.000 0.935 721 K CB -0.663 31.827 32.500 -0.017 0.000 0.715 721 K HN 0.455 nan 8.250 nan 0.000 0.439 722 A N 0.900 123.679 122.820 -0.068 0.000 1.969 722 A HA -0.052 4.269 4.320 0.001 0.000 0.218 722 A C 2.030 179.559 177.584 -0.092 0.000 1.169 722 A CA 0.999 52.988 52.037 -0.081 0.000 0.635 722 A CB -0.501 18.430 19.000 -0.114 0.000 0.810 722 A HN 0.321 nan 8.150 nan 0.000 0.445 723 L N -0.532 120.603 121.223 -0.148 0.000 2.201 723 L HA -0.124 4.217 4.340 0.001 0.000 0.212 723 L C 2.303 179.226 176.870 0.089 0.000 1.105 723 L CA 0.652 55.420 54.840 -0.120 0.000 0.775 723 L CB -0.298 41.561 42.059 -0.332 0.000 0.913 723 L HN 0.256 nan 8.230 nan 0.000 0.440 724 V N -0.852 119.129 119.914 0.112 0.000 2.535 724 V HA -0.179 3.941 4.120 0.001 0.000 0.246 724 V C 1.725 177.850 176.094 0.052 0.000 1.045 724 V CA 1.402 63.765 62.300 0.105 0.000 1.058 724 V CB -0.316 31.561 31.823 0.090 0.000 0.689 724 V HN 0.368 nan 8.190 nan 0.000 0.461 725 D N 0.469 120.885 120.400 0.027 0.000 2.348 725 D HA -0.066 4.574 4.640 0.001 0.000 0.216 725 D C 1.629 177.938 176.300 0.015 0.000 0.970 725 D CA 1.347 55.356 54.000 0.015 0.000 0.889 725 D CB 0.242 41.044 40.800 0.002 0.000 0.912 725 D HN 0.558 nan 8.370 nan 0.000 0.524 726 V N -4.415 115.510 119.914 0.019 0.000 3.477 726 V HA 0.492 4.613 4.120 0.001 0.000 0.297 726 V C 1.192 177.311 176.094 0.041 0.000 1.433 726 V CA 0.147 62.461 62.300 0.023 0.000 1.052 726 V CB 0.107 31.937 31.823 0.012 0.000 0.895 726 V HN 0.072 nan 8.190 nan 0.000 0.438 727 G N 0.936 109.768 108.800 0.054 0.000 2.256 727 G HA2 -0.113 3.848 3.960 0.001 0.000 0.272 727 G HA3 -0.113 3.848 3.960 0.001 0.000 0.272 727 G C -0.113 174.842 174.900 0.092 0.000 1.076 727 G CA 0.471 45.611 45.100 0.066 0.000 0.882 727 G HN 1.780 nan 8.290 nan 0.000 0.497 728 V N -0.805 119.186 119.914 0.128 0.000 2.378 728 V HA 0.699 4.820 4.120 0.001 0.000 0.288 728 V C 0.071 176.331 176.094 0.276 0.000 1.016 728 V CA -0.743 61.663 62.300 0.176 0.000 0.840 728 V CB 1.717 33.641 31.823 0.168 0.000 0.994 728 V HN 0.326 nan 8.190 nan 0.000 0.431 729 D N 5.758 126.292 120.400 0.224 0.000 2.399 729 D HA 0.485 5.125 4.640 0.001 0.000 0.241 729 D C -0.519 176.002 176.300 0.368 0.000 1.133 729 D CA 0.615 54.734 54.000 0.199 0.000 0.890 729 D CB 0.722 41.593 40.800 0.119 0.000 1.201 729 D HN 0.733 nan 8.370 nan 0.000 0.432 730 F N -0.201 119.829 119.950 0.134 0.000 2.719 730 F HA 0.385 4.912 4.527 0.001 0.000 0.309 730 F C -1.494 174.359 175.800 0.088 0.000 1.138 730 F CA -1.173 56.931 58.000 0.174 0.000 0.943 730 F CB 0.737 39.897 39.000 0.268 0.000 1.304 730 F HN 0.082 nan 8.300 nan 0.000 0.445 731 Q N 1.928 121.822 119.800 0.157 0.000 2.230 731 Q HA 0.801 5.141 4.340 0.001 0.000 0.248 731 Q C -0.572 175.426 176.000 -0.004 0.000 0.915 731 Q CA -0.583 55.202 55.803 -0.030 0.000 0.900 731 Q CB 1.963 30.655 28.738 -0.076 0.000 1.229 731 Q HN 1.032 nan 8.270 nan 0.000 0.439 732 A N 1.692 124.489 122.820 -0.038 0.000 2.530 732 A HA 0.869 5.189 4.320 0.001 0.000 0.288 732 A C -1.143 176.462 177.584 0.035 0.000 1.172 732 A CA -0.656 51.414 52.037 0.055 0.000 0.733 732 A CB 1.923 21.006 19.000 0.138 0.000 1.320 732 A HN 0.640 nan 8.150 nan 0.000 0.419 733 M N 0.781 120.426 119.600 0.075 0.000 2.522 733 M HA 0.389 4.870 4.480 0.001 0.000 0.171 733 M C -1.765 174.539 176.300 0.006 0.000 0.944 733 M CA -0.542 54.706 55.300 -0.088 0.000 0.844 733 M CB 0.215 32.804 32.600 -0.018 0.000 2.871 733 M HN 0.979 nan 8.290 nan 0.000 0.391 734 W N 3.466 124.743 121.300 -0.039 0.000 2.215 734 W HA 0.724 5.385 4.660 0.001 0.000 0.342 734 W C -1.677 174.709 176.519 -0.222 0.000 1.237 734 W CA -0.368 57.021 57.345 0.074 0.000 1.283 734 W CB 0.217 29.726 29.460 0.082 0.000 1.131 734 W HN 0.599 nan 8.180 nan 0.000 0.606 735 Y N 2.096 122.531 120.300 0.225 0.000 2.426 735 Y HA 0.261 4.811 4.550 0.001 0.000 0.325 735 Y C 0.467 176.466 175.900 0.166 0.000 0.989 735 Y CA -1.108 57.027 58.100 0.058 0.000 1.284 735 Y CB 1.217 39.702 38.460 0.041 0.000 1.104 735 Y HN 0.437 nan 8.280 nan 0.000 0.481 736 T N 3.916 118.601 114.554 0.218 0.000 2.891 736 T HA -0.066 4.285 4.350 0.001 0.000 0.296 736 T C 0.367 175.140 174.700 0.122 0.000 1.025 736 T CA 0.930 63.121 62.100 0.151 0.000 1.149 736 T CB -0.047 68.842 68.868 0.035 0.000 1.007 736 T HN 0.742 nan 8.240 nan 0.000 0.528 737 D N 0.511 120.964 120.400 0.088 0.000 3.041 737 D HA -0.141 4.500 4.640 0.001 0.000 0.214 737 D C 0.540 176.999 176.300 0.264 0.000 1.153 737 D CA 1.379 55.407 54.000 0.047 0.000 0.972 737 D CB -0.287 40.372 40.800 -0.236 0.000 1.126 737 D HN 0.552 nan 8.370 nan 0.000 0.400 738 E N 0.654 121.010 120.200 0.261 0.000 2.371 738 E HA 0.321 4.671 4.350 0.001 0.000 0.257 738 E C 0.804 177.583 176.600 0.299 0.000 1.134 738 E CA 0.004 56.570 56.400 0.277 0.000 0.919 738 E CB 0.835 30.693 29.700 0.263 0.000 1.025 738 E HN 0.402 nan 8.360 nan 0.000 0.438 739 D N -1.265 119.312 120.400 0.295 0.000 2.658 739 D HA 0.023 4.664 4.640 0.001 0.000 0.243 739 D C 0.991 177.493 176.300 0.337 0.000 1.159 739 D CA -0.357 53.834 54.000 0.318 0.000 1.084 739 D CB -0.392 40.618 40.800 0.349 0.000 1.227 739 D HN 0.385 nan 8.370 nan 0.000 0.636 740 H N -1.199 118.029 119.070 0.264 0.000 2.489 740 H HA 0.084 4.640 4.556 0.001 0.000 0.295 740 H C 1.778 177.344 175.328 0.396 0.000 1.082 740 H CA 2.115 58.339 56.048 0.293 0.000 1.295 740 H CB -0.402 29.533 29.762 0.288 0.000 1.380 740 H HN 0.484 nan 8.280 nan 0.000 0.548 741 G N -0.197 108.759 108.800 0.260 0.000 2.459 741 G HA2 -0.000 3.960 3.960 0.001 0.000 0.213 741 G HA3 -0.000 3.960 3.960 0.001 0.000 0.213 741 G C 0.750 175.814 174.900 0.274 0.000 1.155 741 G CA 0.370 45.561 45.100 0.152 0.000 0.811 741 G HN 0.511 nan 8.290 nan 0.000 0.534 742 I N 0.185 120.927 120.570 0.287 0.000 6.532 742 I HA -0.318 3.853 4.170 0.001 0.000 0.126 742 I C 1.693 177.946 176.117 0.226 0.000 1.811 742 I CA 0.088 61.528 61.300 0.232 0.000 2.115 742 I CB -1.445 36.718 38.000 0.271 0.000 3.474 742 I HN 0.280 nan 8.210 nan 0.000 0.192 743 A N 0.629 123.546 122.820 0.163 0.000 2.095 743 A HA 0.149 4.469 4.320 0.001 0.000 0.212 743 A C 1.374 179.009 177.584 0.085 0.000 1.162 743 A CA 0.797 52.890 52.037 0.092 0.000 0.753 743 A CB 0.033 19.056 19.000 0.039 0.000 0.840 743 A HN 0.709 nan 8.150 nan 0.000 0.468 744 S N 0.304 116.075 115.700 0.119 0.000 2.561 744 S HA 0.034 4.505 4.470 0.001 0.000 0.294 744 S C 1.125 175.794 174.600 0.115 0.000 1.294 744 S CA 0.387 58.653 58.200 0.110 0.000 1.055 744 S CB 0.638 63.915 63.200 0.129 0.000 0.819 744 S HN 0.573 nan 8.310 nan 0.000 0.503 745 S N 3.098 118.847 115.700 0.082 0.000 2.401 745 S HA -0.259 4.212 4.470 0.001 0.000 0.236 745 S C 2.158 176.835 174.600 0.128 0.000 1.058 745 S CA 2.649 60.900 58.200 0.084 0.000 1.151 745 S CB -1.697 61.533 63.200 0.051 0.000 1.049 745 S HN 1.110 nan 8.310 nan 0.000 0.432 746 T N 0.223 114.843 114.554 0.110 0.000 2.746 746 T HA 0.099 4.450 4.350 0.001 0.000 0.267 746 T C 2.001 176.798 174.700 0.161 0.000 1.039 746 T CA 1.546 63.717 62.100 0.118 0.000 1.142 746 T CB -1.061 67.864 68.868 0.094 0.000 0.866 746 T HN 0.547 nan 8.240 nan 0.000 0.444 747 A N 1.587 124.502 122.820 0.160 0.000 1.933 747 A HA -0.138 4.183 4.320 0.001 0.000 0.218 747 A C 2.211 179.858 177.584 0.104 0.000 1.175 747 A CA 2.109 54.236 52.037 0.150 0.000 0.628 747 A CB -1.222 17.848 19.000 0.116 0.000 0.814 747 A HN 0.758 nan 8.150 nan 0.000 0.444 748 H N -0.115 118.996 119.070 0.068 0.000 2.353 748 H HA -0.106 4.451 4.556 0.001 0.000 0.300 748 H C 2.087 177.502 175.328 0.146 0.000 1.090 748 H CA 2.237 58.354 56.048 0.114 0.000 1.327 748 H CB -0.154 29.652 29.762 0.074 0.000 1.383 748 H HN 0.580 nan 8.280 nan 0.000 0.508 749 Q N -1.081 118.739 119.800 0.034 0.000 2.172 749 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 749 Q C 2.047 178.062 176.000 0.025 0.000 0.964 749 Q CA 1.157 56.932 55.803 -0.046 0.000 0.855 749 Q CB -0.114 28.635 28.738 0.018 0.000 0.918 749 Q HN 0.646 nan 8.270 nan 0.000 0.444 750 H N 1.105 120.192 119.070 0.029 0.000 2.333 750 H HA -0.012 4.544 4.556 0.001 0.000 0.302 750 H C 1.990 177.383 175.328 0.107 0.000 1.075 750 H CA 1.012 57.117 56.048 0.095 0.000 1.348 750 H CB -0.003 29.873 29.762 0.190 0.000 1.393 750 H HN 0.259 nan 8.280 nan 0.000 0.509 751 I N 0.138 120.814 120.570 0.176 0.000 2.286 751 I HA -0.325 3.846 4.170 0.001 0.000 0.248 751 I C 1.679 177.630 176.117 -0.277 0.000 1.115 751 I CA 1.339 62.608 61.300 -0.051 0.000 1.392 751 I CB -0.286 37.451 38.000 -0.439 0.000 1.065 751 I HN 0.133 nan 8.210 nan 0.000 0.418 752 Y N 0.741 120.872 120.300 -0.282 0.000 2.337 752 Y HA -0.148 4.403 4.550 0.001 0.000 0.293 752 Y C 2.682 178.448 175.900 -0.223 0.000 1.123 752 Y CA 1.691 59.527 58.100 -0.440 0.000 1.201 752 Y CB -0.503 37.676 38.460 -0.469 0.000 1.011 752 Y HN 0.106 nan 8.280 nan 0.000 0.545 753 T N -1.734 112.807 114.554 -0.021 0.000 2.951 753 T HA -0.175 4.175 4.350 0.001 0.000 0.268 753 T C 1.489 176.166 174.700 -0.038 0.000 1.073 753 T CA 1.519 63.573 62.100 -0.076 0.000 1.134 753 T CB -0.264 68.548 68.868 -0.094 0.000 0.884 753 T HN 0.371 nan 8.240 nan 0.000 0.479 754 H N 0.756 119.776 119.070 -0.083 0.000 2.436 754 H HA 0.252 4.809 4.556 0.001 0.000 0.294 754 H C 1.942 177.308 175.328 0.063 0.000 1.048 754 H CA 1.141 57.207 56.048 0.031 0.000 1.353 754 H CB -0.156 29.616 29.762 0.018 0.000 1.414 754 H HN 0.292 nan 8.280 nan 0.000 0.536 755 M N -1.033 118.486 119.600 -0.134 0.000 2.349 755 M HA -0.050 4.431 4.480 0.001 0.000 0.266 755 M C 2.185 178.601 176.300 0.193 0.000 1.076 755 M CA 0.965 56.191 55.300 -0.123 0.000 1.126 755 M CB 0.270 32.586 32.600 -0.474 0.000 1.392 755 M HN 0.110 nan 8.290 nan 0.000 0.440 756 S N -0.570 115.277 115.700 0.245 0.000 2.368 756 S HA -0.108 4.363 4.470 0.001 0.000 0.224 756 S C 1.719 176.414 174.600 0.157 0.000 1.029 756 S CA 0.869 59.277 58.200 0.345 0.000 0.988 756 S CB -0.489 62.941 63.200 0.384 0.000 0.838 756 S HN 0.472 nan 8.310 nan 0.000 0.462 757 H N -0.159 119.015 119.070 0.172 0.000 2.389 757 H HA 0.008 4.565 4.556 0.001 0.000 0.299 757 H C 1.945 177.327 175.328 0.090 0.000 1.081 757 H CA 1.085 57.205 56.048 0.120 0.000 1.345 757 H CB -0.588 29.244 29.762 0.118 0.000 1.393 757 H HN 0.404 nan 8.280 nan 0.000 0.520 758 F N 1.257 121.233 119.950 0.043 0.000 2.171 758 F HA -0.173 4.355 4.527 0.001 0.000 0.300 758 F C 2.151 177.915 175.800 -0.059 0.000 1.090 758 F CA 0.707 58.681 58.000 -0.043 0.000 1.293 758 F CB -0.188 38.727 39.000 -0.141 0.000 1.013 758 F HN -0.037 nan 8.300 nan 0.000 0.486 759 I N 0.421 120.949 120.570 -0.069 0.000 2.193 759 I HA -0.222 3.948 4.170 0.001 0.000 0.240 759 I C 2.239 178.165 176.117 -0.319 0.000 1.084 759 I CA 1.283 62.386 61.300 -0.328 0.000 1.365 759 I CB -1.432 36.430 38.000 -0.229 0.000 1.064 759 I HN 0.107 nan 8.210 nan 0.000 0.410 760 K N 0.447 120.799 120.400 -0.080 0.000 2.074 760 K HA -0.255 4.066 4.320 0.001 0.000 0.209 760 K C 2.087 178.703 176.600 0.028 0.000 1.048 760 K CA 1.463 57.765 56.287 0.025 0.000 0.926 760 K CB -0.271 32.294 32.500 0.109 0.000 0.713 760 K HN 0.396 nan 8.250 nan 0.000 0.444 761 Q N 1.417 121.205 119.800 -0.020 0.000 1.942 761 Q HA -0.237 4.104 4.340 0.001 0.000 0.203 761 Q C 2.354 178.315 176.000 -0.065 0.000 0.987 761 Q CA 2.129 57.913 55.803 -0.032 0.000 0.844 761 Q CB -0.935 27.767 28.738 -0.060 0.000 0.911 761 Q HN 0.443 nan 8.270 nan 0.000 0.423 762 c N 0.404 118.865 118.600 -0.232 0.000 2.398 762 c HA -0.150 4.421 4.570 0.001 0.000 0.282 762 c C 2.129 176.319 174.090 0.167 0.000 1.275 762 c CA 0.754 56.971 56.329 -0.187 0.000 1.797 762 c CB -1.432 40.790 42.510 -0.481 0.000 1.991 762 c HN 0.591 nan 8.230 nan 0.000 0.505 763 F N 1.208 121.117 119.950 -0.068 0.000 2.653 763 F HA 0.248 4.775 4.527 0.001 0.000 0.304 763 F C 1.662 177.448 175.800 -0.024 0.000 1.092 763 F CA 0.369 58.348 58.000 -0.035 0.000 1.279 763 F CB -1.022 37.960 39.000 -0.030 0.000 1.044 763 F HN 0.302 nan 8.300 nan 0.000 0.564 764 S N 0.227 116.017 115.700 0.151 0.000 3.445 764 S HA -0.242 4.229 4.470 0.001 0.000 0.319 764 S C 0.217 174.866 174.600 0.083 0.000 1.209 764 S CA 0.155 58.405 58.200 0.083 0.000 0.934 764 S CB -2.460 60.771 63.200 0.052 0.000 0.999 764 S HN 0.269 nan 8.310 nan 0.000 0.582 765 L N 1.632 122.926 121.223 0.118 0.000 2.360 765 L HA 0.341 4.681 4.340 0.001 0.000 0.276 765 L C -1.327 175.596 176.870 0.088 0.000 1.121 765 L CA -1.735 53.166 54.840 0.103 0.000 0.845 765 L CB 0.147 42.288 42.059 0.136 0.000 1.143 765 L HN 0.010 nan 8.230 nan 0.000 0.452 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.144 63.100 0.073 0.000 0.800 766 P CB 0.000 31.733 31.700 0.055 0.000 0.726