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 3c45_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.065 0.000 1.109 39 T CA 0.000 62.131 62.100 0.051 0.000 1.349 39 T CB 0.000 68.893 68.868 0.041 0.000 0.612 40 R N 2.831 123.378 120.500 0.079 0.000 2.637 40 R HA 0.610 4.951 4.340 0.001 0.000 0.269 40 R C 0.348 176.704 176.300 0.094 0.000 1.089 40 R CA -0.846 55.304 56.100 0.083 0.000 1.177 40 R CB 0.419 30.768 30.300 0.082 0.000 1.091 40 R HN 0.472 nan 8.270 nan 0.000 0.540 41 K N 0.294 120.754 120.400 0.100 0.000 2.149 41 K HA 0.142 4.463 4.320 0.001 0.000 0.245 41 K C -0.228 176.447 176.600 0.125 0.000 1.024 41 K CA -0.506 55.849 56.287 0.114 0.000 0.899 41 K CB 0.646 33.223 32.500 0.127 0.000 1.038 41 K HN 0.793 nan 8.250 nan 0.000 0.496 42 T N -2.266 112.372 114.554 0.139 0.000 2.922 42 T HA 0.176 4.527 4.350 0.001 0.000 0.281 42 T C -0.800 174.036 174.700 0.225 0.000 1.005 42 T CA -0.800 61.395 62.100 0.157 0.000 0.982 42 T CB 0.538 69.492 68.868 0.143 0.000 1.158 42 T HN 0.538 nan 8.240 nan 0.000 0.566 43 Y N 2.425 122.797 120.300 0.120 0.000 2.504 43 Y HA 0.401 4.952 4.550 0.001 0.000 0.351 43 Y C 0.904 176.974 175.900 0.283 0.000 0.988 43 Y CA -0.402 57.810 58.100 0.187 0.000 1.239 43 Y CB -0.086 38.443 38.460 0.116 0.000 1.128 43 Y HN 1.017 nan 8.280 nan 0.000 0.525 44 T N 2.409 116.970 114.554 0.012 0.000 2.862 44 T HA 0.138 4.489 4.350 0.001 0.000 0.276 44 T C 0.956 175.576 174.700 -0.133 0.000 0.974 44 T CA -0.723 61.435 62.100 0.097 0.000 0.966 44 T CB 1.204 70.091 68.868 0.032 0.000 1.072 44 T HN 0.684 nan 8.240 nan 0.000 0.538 45 L N 0.952 121.915 121.223 -0.434 0.000 2.083 45 L HA 0.040 4.381 4.340 0.001 0.000 0.209 45 L C 2.560 179.269 176.870 -0.269 0.000 1.083 45 L CA 2.075 56.492 54.840 -0.706 0.000 0.752 45 L CB -1.457 40.055 42.059 -0.912 0.000 0.899 45 L HN 0.950 nan 8.230 nan 0.000 0.433 46 T N -0.562 113.872 114.554 -0.202 0.000 2.821 46 T HA -0.141 4.209 4.350 0.001 0.000 0.267 46 T C 1.465 176.068 174.700 -0.161 0.000 1.046 46 T CA 1.384 63.397 62.100 -0.145 0.000 1.139 46 T CB -0.341 68.468 68.868 -0.099 0.000 0.871 46 T HN 0.389 nan 8.240 nan 0.000 0.454 47 D N 0.233 120.504 120.400 -0.215 0.000 2.123 47 D HA -0.096 4.544 4.640 0.001 0.000 0.196 47 D C 1.728 177.913 176.300 -0.192 0.000 0.992 47 D CA 1.041 54.880 54.000 -0.269 0.000 0.833 47 D CB -0.378 40.159 40.800 -0.438 0.000 0.954 47 D HN 0.421 nan 8.370 nan 0.000 0.455 48 Y N 1.441 121.552 120.300 -0.316 0.000 2.163 48 Y HA -0.091 4.460 4.550 0.001 0.000 0.288 48 Y C 2.161 178.068 175.900 0.012 0.000 1.136 48 Y CA 1.194 59.286 58.100 -0.013 0.000 1.147 48 Y CB -0.571 37.944 38.460 0.092 0.000 0.987 48 Y HN -0.099 nan 8.280 nan 0.000 0.509 49 L N 0.018 121.033 121.223 -0.347 0.000 2.141 49 L HA -0.155 4.186 4.340 0.001 0.000 0.209 49 L C 1.816 178.571 176.870 -0.192 0.000 1.094 49 L CA 1.240 55.873 54.840 -0.345 0.000 0.763 49 L CB -0.427 41.508 42.059 -0.208 0.000 0.908 49 L HN 0.058 nan 8.230 nan 0.000 0.437 50 K N -0.221 120.091 120.400 -0.147 0.000 2.387 50 K HA 0.119 4.440 4.320 0.001 0.000 0.198 50 K C 0.095 176.640 176.600 -0.091 0.000 1.022 50 K CA -0.099 56.126 56.287 -0.104 0.000 1.128 50 K CB -0.102 32.340 32.500 -0.095 0.000 0.853 50 K HN 0.221 nan 8.250 nan 0.000 0.523 51 N N 1.337 119.988 118.700 -0.082 0.000 2.727 51 N HA -0.157 4.583 4.740 0.001 0.000 0.249 51 N C 0.339 175.829 175.510 -0.034 0.000 1.048 51 N CA 1.013 54.054 53.050 -0.014 0.000 0.714 51 N CB -1.420 37.056 38.487 -0.018 0.000 0.959 51 N HN 0.192 nan 8.380 nan 0.000 0.544 52 T N -1.174 113.308 114.554 -0.120 0.000 2.720 52 T HA -0.167 4.184 4.350 0.001 0.000 0.268 52 T C 0.537 175.016 174.700 -0.368 0.000 1.037 52 T CA 1.320 63.230 62.100 -0.317 0.000 1.144 52 T CB -0.106 68.425 68.868 -0.562 0.000 0.864 52 T HN 0.343 nan 8.240 nan 0.000 0.444 53 Y N 1.558 121.957 120.300 0.164 0.000 2.491 53 Y HA 0.573 5.123 4.550 0.001 0.000 0.334 53 Y C 0.315 176.325 175.900 0.183 0.000 0.969 53 Y CA -1.359 56.859 58.100 0.196 0.000 1.241 53 Y CB 0.465 39.105 38.460 0.300 0.000 1.105 53 Y HN -0.111 nan 8.280 nan 0.000 0.503 54 R N 2.287 122.927 120.500 0.233 0.000 2.407 54 R HA 0.587 4.928 4.340 0.001 0.000 0.303 54 R C -1.403 175.005 176.300 0.180 0.000 0.981 54 R CA -0.650 55.558 56.100 0.179 0.000 0.905 54 R CB 0.600 30.963 30.300 0.104 0.000 1.099 54 R HN 0.526 nan 8.270 nan 0.000 0.459 55 L N 3.852 125.184 121.223 0.183 0.000 2.349 55 L HA 0.329 4.670 4.340 0.001 0.000 0.275 55 L C 0.246 177.200 176.870 0.140 0.000 1.115 55 L CA 0.410 55.356 54.840 0.177 0.000 0.820 55 L CB 0.980 43.165 42.059 0.211 0.000 1.135 55 L HN 0.519 nan 8.230 nan 0.000 0.445 56 K N 2.805 123.282 120.400 0.129 0.000 2.118 56 K HA 0.628 4.949 4.320 0.001 0.000 0.267 56 K C -0.889 175.762 176.600 0.085 0.000 0.991 56 K CA -0.685 55.657 56.287 0.092 0.000 0.916 56 K CB 1.228 33.776 32.500 0.081 0.000 1.041 56 K HN 0.217 nan 8.250 nan 0.000 0.455 57 L N 1.231 122.439 121.223 -0.025 0.000 2.235 57 L HA 0.446 4.787 4.340 0.001 0.000 0.260 57 L C -1.123 175.506 176.870 -0.402 0.000 1.025 57 L CA -0.657 54.036 54.840 -0.245 0.000 0.836 57 L CB 0.704 42.731 42.059 -0.053 0.000 1.395 57 L HN 0.508 nan 8.230 nan 0.000 0.443 58 Y N -0.041 119.755 120.300 -0.840 0.000 2.489 58 Y HA 0.405 4.956 4.550 0.001 0.000 0.339 58 Y C -0.832 174.918 175.900 -0.250 0.000 1.135 58 Y CA -0.421 57.394 58.100 -0.476 0.000 1.321 58 Y CB 1.134 39.152 38.460 -0.737 0.000 1.098 58 Y HN 0.451 nan 8.280 nan 0.000 0.590 59 S N 5.746 121.376 115.700 -0.116 0.000 2.399 59 S HA 0.512 4.983 4.470 0.001 0.000 0.301 59 S C -0.534 174.023 174.600 -0.070 0.000 1.093 59 S CA -0.545 57.623 58.200 -0.055 0.000 1.077 59 S CB -0.159 63.018 63.200 -0.038 0.000 0.980 59 S HN 0.549 nan 8.310 nan 0.000 0.494 60 L N 1.581 122.723 121.223 -0.135 0.000 2.304 60 L HA 0.789 5.130 4.340 0.001 0.000 0.268 60 L C -0.239 176.534 176.870 -0.160 0.000 1.010 60 L CA -0.915 53.801 54.840 -0.207 0.000 0.813 60 L CB 0.795 42.418 42.059 -0.728 0.000 1.315 60 L HN 0.335 nan 8.230 nan 0.000 0.445 61 R N 0.614 121.068 120.500 -0.076 0.000 2.473 61 R HA 0.354 4.694 4.340 0.001 0.000 0.303 61 R C -1.736 174.611 176.300 0.079 0.000 1.002 61 R CA -0.303 55.809 56.100 0.021 0.000 0.884 61 R CB 1.061 31.412 30.300 0.086 0.000 1.173 61 R HN 0.667 nan 8.270 nan 0.000 0.464 62 W N 4.269 125.671 121.300 0.171 0.000 2.251 62 W HA 0.113 4.774 4.660 0.001 0.000 0.327 62 W C 1.543 178.152 176.519 0.149 0.000 1.361 62 W CA -0.381 57.079 57.345 0.191 0.000 1.234 62 W CB 0.487 30.047 29.460 0.166 0.000 1.212 62 W HN 0.655 nan 8.180 nan 0.000 0.557 63 I N 0.321 121.128 120.570 0.395 0.000 4.154 63 I HA 0.337 4.507 4.170 0.001 0.000 0.334 63 I C 0.582 176.835 176.117 0.228 0.000 1.371 63 I CA -0.128 61.313 61.300 0.234 0.000 1.110 63 I CB -0.089 37.985 38.000 0.124 0.000 1.085 63 I HN 0.269 nan 8.210 nan 0.000 0.398 64 S N -0.522 115.356 115.700 0.298 0.000 2.714 64 S HA 0.259 4.730 4.470 0.001 0.000 0.280 64 S C -0.269 174.433 174.600 0.171 0.000 1.200 64 S CA -0.148 58.187 58.200 0.225 0.000 0.900 64 S CB 1.291 64.645 63.200 0.257 0.000 1.235 64 S HN 0.061 nan 8.310 nan 0.000 0.512 65 D N -0.809 119.602 120.400 0.017 0.000 2.340 65 D HA 0.226 4.867 4.640 0.001 0.000 0.220 65 D C 0.953 177.065 176.300 -0.314 0.000 1.039 65 D CA 0.758 54.614 54.000 -0.241 0.000 0.866 65 D CB 0.022 40.592 40.800 -0.384 0.000 0.913 65 D HN 0.576 nan 8.370 nan 0.000 0.523 66 H N -1.332 117.915 119.070 0.294 0.000 3.457 66 H HA 0.353 4.910 4.556 0.001 0.000 0.255 66 H C 0.010 175.485 175.328 0.245 0.000 1.082 66 H CA 0.029 56.243 56.048 0.278 0.000 1.189 66 H CB 1.160 31.042 29.762 0.200 0.000 1.511 66 H HN 0.155 nan 8.280 nan 0.000 0.527 67 E N 0.814 121.278 120.200 0.440 0.000 2.393 67 E HA 0.408 4.758 4.350 0.001 0.000 0.273 67 E C -1.438 175.396 176.600 0.389 0.000 0.918 67 E CA -1.053 55.528 56.400 0.303 0.000 0.773 67 E CB 3.247 33.048 29.700 0.169 0.000 1.275 67 E HN 0.107 nan 8.360 nan 0.000 0.451 68 Y N -1.214 119.136 120.300 0.084 0.000 2.588 68 Y HA 0.637 5.188 4.550 0.001 0.000 0.343 68 Y C -1.625 174.284 175.900 0.016 0.000 1.065 68 Y CA -1.333 56.715 58.100 -0.086 0.000 1.038 68 Y CB 0.885 38.964 38.460 -0.635 0.000 1.297 68 Y HN 0.329 nan 8.280 nan 0.000 0.467 69 L N 2.930 124.290 121.223 0.229 0.000 2.322 69 L HA 0.509 4.850 4.340 0.001 0.000 0.279 69 L C -1.379 175.699 176.870 0.347 0.000 1.036 69 L CA -0.997 53.954 54.840 0.185 0.000 0.807 69 L CB 1.628 43.722 42.059 0.058 0.000 1.226 69 L HN 0.791 nan 8.230 nan 0.000 0.433 70 Y N 2.868 123.272 120.300 0.173 0.000 2.401 70 Y HA 0.269 4.820 4.550 0.001 0.000 0.330 70 Y C -0.648 175.285 175.900 0.054 0.000 1.071 70 Y CA -1.133 57.000 58.100 0.056 0.000 1.049 70 Y CB 1.538 39.998 38.460 -0.001 0.000 1.239 70 Y HN 0.445 nan 8.280 nan 0.000 0.437 71 K N 5.393 125.494 120.400 -0.500 0.000 2.312 71 K HA 0.299 4.620 4.320 0.001 0.000 0.287 71 K C -1.166 175.102 176.600 -0.555 0.000 1.062 71 K CA -0.268 55.789 56.287 -0.383 0.000 0.934 71 K CB 0.773 33.134 32.500 -0.232 0.000 1.027 71 K HN 0.891 nan 8.250 nan 0.000 0.478 72 Q N 3.518 123.172 119.800 -0.242 0.000 2.274 72 Q HA 0.114 4.455 4.340 0.001 0.000 0.268 72 Q C -1.239 174.726 176.000 -0.058 0.000 1.015 72 Q CA -0.221 55.506 55.803 -0.126 0.000 0.775 72 Q CB 1.288 30.073 28.738 0.078 0.000 1.256 72 Q HN 0.743 nan 8.270 nan 0.000 0.442 73 E N 3.112 123.282 120.200 -0.052 0.000 2.586 73 E HA -0.373 3.978 4.350 0.001 0.000 0.259 73 E C -0.504 176.069 176.600 -0.044 0.000 1.107 73 E CA 0.659 57.040 56.400 -0.032 0.000 0.754 73 E CB -1.030 28.664 29.700 -0.011 0.000 1.335 73 E HN 0.898 nan 8.360 nan 0.000 0.411 74 N N -1.370 117.291 118.700 -0.065 0.000 2.878 74 N HA -0.164 4.577 4.740 0.001 0.000 0.247 74 N C -0.900 174.568 175.510 -0.071 0.000 1.021 74 N CA 1.105 54.117 53.050 -0.063 0.000 0.873 74 N CB -0.922 37.541 38.487 -0.040 0.000 1.128 74 N HN 0.368 nan 8.380 nan 0.000 0.571 75 N N 1.012 119.669 118.700 -0.071 0.000 2.408 75 N HA 0.380 5.120 4.740 0.001 0.000 0.280 75 N C 0.123 175.594 175.510 -0.065 0.000 1.002 75 N CA -0.301 52.712 53.050 -0.062 0.000 0.907 75 N CB 1.343 39.807 38.487 -0.039 0.000 1.161 75 N HN 0.148 nan 8.380 nan 0.000 0.488 76 I N 3.390 123.918 120.570 -0.071 0.000 2.379 76 I HA 0.188 4.359 4.170 0.001 0.000 0.290 76 I C 0.170 176.323 176.117 0.059 0.000 1.063 76 I CA -0.182 61.083 61.300 -0.058 0.000 1.351 76 I CB 0.472 38.377 38.000 -0.158 0.000 1.410 76 I HN 0.222 nan 8.210 nan 0.000 0.505 77 L N 6.929 128.205 121.223 0.088 0.000 2.322 77 L HA 0.638 4.979 4.340 0.001 0.000 0.269 77 L C -0.373 176.536 176.870 0.065 0.000 1.012 77 L CA -0.987 53.890 54.840 0.061 0.000 0.815 77 L CB 2.179 44.250 42.059 0.019 0.000 1.295 77 L HN 0.300 nan 8.230 nan 0.000 0.438 78 V N 1.616 121.491 119.914 -0.065 0.000 2.495 78 V HA 0.535 4.656 4.120 0.001 0.000 0.298 78 V C -1.072 174.837 176.094 -0.309 0.000 1.031 78 V CA -0.228 62.025 62.300 -0.078 0.000 0.871 78 V CB 1.454 33.294 31.823 0.029 0.000 0.988 78 V HN 0.474 nan 8.190 nan 0.000 0.432 79 F N 5.133 124.818 119.950 -0.442 0.000 2.492 79 F HA 0.514 5.042 4.527 0.001 0.000 0.327 79 F C 0.487 176.025 175.800 -0.436 0.000 1.079 79 F CA -0.530 57.131 58.000 -0.564 0.000 0.967 79 F CB 1.732 40.019 39.000 -1.188 0.000 1.169 79 F HN 0.531 nan 8.300 nan 0.000 0.472 80 N N 1.877 120.535 118.700 -0.070 0.000 2.426 80 N HA 0.265 5.006 4.740 0.001 0.000 0.257 80 N C 0.403 175.875 175.510 -0.063 0.000 1.002 80 N CA 0.068 53.110 53.050 -0.014 0.000 0.942 80 N CB 1.798 40.338 38.487 0.088 0.000 1.112 80 N HN 0.810 nan 8.380 nan 0.000 0.499 81 A N 3.741 126.473 122.820 -0.145 0.000 1.902 81 A HA -0.194 4.127 4.320 0.001 0.000 0.217 81 A C 1.883 179.211 177.584 -0.427 0.000 1.181 81 A CA 1.583 53.441 52.037 -0.298 0.000 0.623 81 A CB -0.468 18.138 19.000 -0.656 0.000 0.818 81 A HN 0.786 nan 8.150 nan 0.000 0.443 82 E N -0.619 119.271 120.200 -0.517 0.000 2.058 82 E HA -0.188 4.163 4.350 0.001 0.000 0.194 82 E C 1.470 177.805 176.600 -0.441 0.000 0.997 82 E CA 2.055 58.170 56.400 -0.475 0.000 0.801 82 E CB -0.428 28.842 29.700 -0.716 0.000 0.746 82 E HN 0.778 nan 8.360 nan 0.000 0.450 83 Y N -2.364 117.944 120.300 0.012 0.000 2.481 83 Y HA 0.361 4.912 4.550 0.001 0.000 0.258 83 Y C 1.673 177.583 175.900 0.017 0.000 1.103 83 Y CA 0.021 58.129 58.100 0.015 0.000 1.287 83 Y CB 0.760 39.227 38.460 0.011 0.000 1.108 83 Y HN 0.193 nan 8.280 nan 0.000 0.529 84 G N 1.063 109.946 108.800 0.139 0.000 2.176 84 G HA2 -0.312 3.649 3.960 0.001 0.000 0.253 84 G HA3 -0.312 3.649 3.960 0.001 0.000 0.253 84 G C -0.055 174.958 174.900 0.188 0.000 0.979 84 G CA 0.143 45.342 45.100 0.165 0.000 0.641 84 G HN 0.463 nan 8.290 nan 0.000 0.530 85 N N 0.623 119.396 118.700 0.121 0.000 2.503 85 N HA 0.567 5.308 4.740 0.001 0.000 0.267 85 N C 0.108 175.517 175.510 -0.167 0.000 1.214 85 N CA 0.678 53.729 53.050 0.003 0.000 0.959 85 N CB 1.594 40.086 38.487 0.007 0.000 1.142 85 N HN 0.958 nan 8.380 nan 0.000 0.455 86 S N -0.404 115.097 115.700 -0.331 0.000 2.685 86 S HA 0.758 5.229 4.470 0.001 0.000 0.282 86 S C -0.932 173.466 174.600 -0.337 0.000 1.159 86 S CA -0.791 57.059 58.200 -0.583 0.000 0.833 86 S CB 1.544 63.890 63.200 -1.424 0.000 1.151 86 S HN 0.633 nan 8.310 nan 0.000 0.485 87 S N -0.178 115.345 115.700 -0.296 0.000 2.618 87 S HA 0.638 5.109 4.470 0.001 0.000 0.277 87 S C -1.026 173.502 174.600 -0.120 0.000 1.138 87 S CA -0.734 57.371 58.200 -0.158 0.000 0.844 87 S CB 1.596 64.740 63.200 -0.094 0.000 1.127 87 S HN 0.777 nan 8.310 nan 0.000 0.474 88 V N 2.531 122.398 119.914 -0.077 0.000 2.530 88 V HA 0.253 4.374 4.120 0.001 0.000 0.282 88 V C 0.272 176.369 176.094 0.005 0.000 1.048 88 V CA 0.155 62.432 62.300 -0.038 0.000 0.997 88 V CB 0.498 32.286 31.823 -0.058 0.000 0.987 88 V HN 0.945 nan 8.190 nan 0.000 0.477 89 F N 5.004 124.901 119.950 -0.088 0.000 2.500 89 F HA 0.492 5.020 4.527 0.001 0.000 0.285 89 F C 0.239 175.998 175.800 -0.068 0.000 1.088 89 F CA 0.353 58.313 58.000 -0.067 0.000 1.432 89 F CB 0.668 39.640 39.000 -0.047 0.000 1.131 89 F HN 0.370 nan 8.300 nan 0.000 0.582 90 L N 1.309 122.576 121.223 0.073 0.000 2.562 90 L HA 0.356 4.697 4.340 0.001 0.000 0.266 90 L C -1.101 175.724 176.870 -0.075 0.000 0.949 90 L CA -0.511 54.310 54.840 -0.031 0.000 0.879 90 L CB 1.270 43.377 42.059 0.081 0.000 1.278 90 L HN -0.189 nan 8.230 nan 0.000 0.404 91 E N 3.070 123.186 120.200 -0.139 0.000 2.384 91 E HA 0.069 4.419 4.350 0.001 0.000 0.266 91 E C 0.722 177.238 176.600 -0.139 0.000 1.012 91 E CA 0.021 56.338 56.400 -0.138 0.000 0.901 91 E CB 0.693 30.296 29.700 -0.163 0.000 0.967 91 E HN 0.657 nan 8.360 nan 0.000 0.435 92 N N 0.968 119.612 118.700 -0.093 0.000 2.381 92 N HA -0.161 4.580 4.740 0.001 0.000 0.182 92 N C 1.010 176.477 175.510 -0.071 0.000 1.025 92 N CA 1.115 54.127 53.050 -0.064 0.000 0.888 92 N CB -0.111 38.347 38.487 -0.048 0.000 0.965 92 N HN 0.265 nan 8.380 nan 0.000 0.438 93 S N -1.315 114.320 115.700 -0.109 0.000 2.548 93 S HA 0.069 4.540 4.470 0.001 0.000 0.215 93 S C 1.472 175.947 174.600 -0.208 0.000 0.976 93 S CA 0.112 58.243 58.200 -0.114 0.000 0.908 93 S CB -0.473 62.670 63.200 -0.094 0.000 0.781 93 S HN 0.195 nan 8.310 nan 0.000 0.519 94 T N 1.757 116.092 114.554 -0.365 0.000 2.778 94 T HA -0.018 4.333 4.350 0.001 0.000 0.269 94 T C 0.223 174.358 174.700 -0.941 0.000 1.050 94 T CA 1.303 62.966 62.100 -0.728 0.000 1.137 94 T CB -0.446 67.757 68.868 -1.109 0.000 0.860 94 T HN 0.599 nan 8.240 nan 0.000 0.468 95 F N 0.535 120.385 119.950 -0.166 0.000 2.791 95 F HA 0.354 4.882 4.527 0.001 0.000 0.308 95 F C 1.080 176.876 175.800 -0.007 0.000 1.138 95 F CA -1.195 56.740 58.000 -0.108 0.000 1.294 95 F CB 0.096 38.956 39.000 -0.233 0.000 0.975 95 F HN -0.067 nan 8.300 nan 0.000 0.512 96 D N 0.863 121.297 120.400 0.055 0.000 2.271 96 D HA -0.158 4.483 4.640 0.001 0.000 0.207 96 D C 1.063 177.400 176.300 0.061 0.000 0.983 96 D CA 1.405 55.434 54.000 0.047 0.000 0.878 96 D CB 0.110 40.908 40.800 -0.004 0.000 0.920 96 D HN 0.376 nan 8.370 nan 0.000 0.479 97 E N -1.153 119.097 120.200 0.083 0.000 2.651 97 E HA 0.100 4.451 4.350 0.001 0.000 0.208 97 E C 0.769 177.418 176.600 0.083 0.000 0.997 97 E CA -0.369 56.062 56.400 0.051 0.000 1.020 97 E CB -0.077 29.637 29.700 0.024 0.000 1.052 97 E HN 0.069 nan 8.360 nan 0.000 0.465 98 F N 1.049 121.003 119.950 0.007 0.000 2.269 98 F HA -0.010 4.517 4.527 0.001 0.000 0.301 98 F C 1.854 177.563 175.800 -0.152 0.000 1.082 98 F CA 1.843 59.834 58.000 -0.016 0.000 1.360 98 F CB -0.041 38.959 39.000 0.000 0.000 1.041 98 F HN 0.222 nan 8.300 nan 0.000 0.512 99 G N -0.935 107.696 108.800 -0.281 0.000 2.179 99 G HA2 -0.266 3.695 3.960 0.001 0.000 0.260 99 G HA3 -0.266 3.695 3.960 0.001 0.000 0.260 99 G C 0.166 174.610 174.900 -0.760 0.000 0.977 99 G CA 0.465 45.252 45.100 -0.523 0.000 0.641 99 G HN 0.563 nan 8.290 nan 0.000 0.533 100 H N -0.436 118.467 119.070 -0.279 0.000 2.851 100 H HA 0.595 5.152 4.556 0.001 0.000 0.372 100 H C -0.618 174.779 175.328 0.114 0.000 1.158 100 H CA -0.127 55.837 56.048 -0.140 0.000 1.159 100 H CB 1.706 31.166 29.762 -0.504 0.000 1.757 100 H HN 0.117 nan 8.280 nan 0.000 0.546 101 S N 2.575 118.418 115.700 0.239 0.000 2.422 101 S HA 0.250 4.721 4.470 0.001 0.000 0.283 101 S C 0.384 175.092 174.600 0.179 0.000 1.163 101 S CA -0.687 57.614 58.200 0.168 0.000 1.054 101 S CB -0.739 62.533 63.200 0.120 0.000 0.967 101 S HN 0.336 nan 8.310 nan 0.000 0.499 102 I N 5.341 125.973 120.570 0.102 0.000 2.533 102 I HA 0.108 4.279 4.170 0.001 0.000 0.284 102 I C 1.449 177.581 176.117 0.024 0.000 1.109 102 I CA -0.274 61.044 61.300 0.031 0.000 1.412 102 I CB 0.581 38.507 38.000 -0.124 0.000 1.396 102 I HN 0.649 nan 8.210 nan 0.000 0.543 103 N N 3.415 122.128 118.700 0.021 0.000 2.290 103 N HA -0.043 4.698 4.740 0.001 0.000 0.179 103 N C -0.090 175.378 175.510 -0.071 0.000 1.016 103 N CA 0.957 53.972 53.050 -0.059 0.000 0.871 103 N CB 0.395 38.818 38.487 -0.107 0.000 0.987 103 N HN 0.757 nan 8.380 nan 0.000 0.431 104 D N -2.764 117.626 120.400 -0.017 0.000 2.692 104 D HA 0.199 4.839 4.640 0.001 0.000 0.290 104 D C -1.757 174.606 176.300 0.105 0.000 1.281 104 D CA -0.603 53.408 54.000 0.017 0.000 0.804 104 D CB 0.527 41.296 40.800 -0.053 0.000 1.331 104 D HN 0.064 nan 8.370 nan 0.000 0.432 105 Y N -1.115 119.198 120.300 0.021 0.000 2.609 105 Y HA 0.795 5.345 4.550 0.001 0.000 0.342 105 Y C -1.239 174.735 175.900 0.123 0.000 1.058 105 Y CA -0.990 57.143 58.100 0.054 0.000 1.055 105 Y CB 1.940 40.418 38.460 0.030 0.000 1.292 105 Y HN 0.189 nan 8.280 nan 0.000 0.476 106 S N 2.672 118.530 115.700 0.264 0.000 2.706 106 S HA 0.549 5.020 4.470 0.001 0.000 0.270 106 S C -1.490 173.457 174.600 0.577 0.000 1.163 106 S CA -0.533 57.827 58.200 0.266 0.000 1.042 106 S CB 0.070 63.408 63.200 0.231 0.000 1.079 106 S HN 0.705 nan 8.310 nan 0.000 0.474 107 I N 4.406 125.245 120.570 0.448 0.000 2.428 107 I HA 0.278 4.449 4.170 0.001 0.000 0.289 107 I C 1.042 177.130 176.117 -0.049 0.000 1.019 107 I CA -0.376 61.111 61.300 0.311 0.000 1.351 107 I CB 1.678 39.812 38.000 0.223 0.000 1.412 107 I HN 0.763 nan 8.210 nan 0.000 0.513 108 S N 5.712 121.103 115.700 -0.515 0.000 2.573 108 S HA 0.133 4.603 4.470 0.001 0.000 0.277 108 S C -1.838 172.489 174.600 -0.455 0.000 1.346 108 S CA -0.921 56.519 58.200 -1.265 0.000 1.034 108 S CB 0.519 62.869 63.200 -1.416 0.000 0.879 108 S HN 0.426 nan 8.310 nan 0.000 0.528 109 P HA -0.136 nan 4.420 nan 0.000 0.217 109 P C 0.726 177.985 177.300 -0.068 0.000 1.148 109 P CA 1.598 64.624 63.100 -0.123 0.000 0.828 109 P CB -0.173 31.468 31.700 -0.097 0.000 0.783 110 D N -2.197 118.153 120.400 -0.084 0.000 2.340 110 D HA 0.091 4.732 4.640 0.001 0.000 0.220 110 D C 1.412 177.725 176.300 0.022 0.000 1.039 110 D CA 0.560 54.555 54.000 -0.008 0.000 0.866 110 D CB -1.102 39.713 40.800 0.024 0.000 0.913 110 D HN 0.194 nan 8.370 nan 0.000 0.523 111 G N 0.267 109.081 108.800 0.022 0.000 2.189 111 G HA2 -0.422 3.539 3.960 0.001 0.000 0.267 111 G HA3 -0.422 3.539 3.960 0.001 0.000 0.267 111 G C 1.000 175.945 174.900 0.074 0.000 0.975 111 G CA 0.616 45.807 45.100 0.151 0.000 0.644 111 G HN 0.473 nan 8.290 nan 0.000 0.537 112 Q N -1.500 118.244 119.800 -0.093 0.000 2.331 112 Q HA 0.363 4.704 4.340 0.001 0.000 0.203 112 Q C 0.309 175.866 176.000 -0.739 0.000 0.944 112 Q CA 0.670 56.215 55.803 -0.430 0.000 0.892 112 Q CB 0.302 28.706 28.738 -0.557 0.000 0.983 112 Q HN 0.591 nan 8.270 nan 0.000 0.482 113 F N -0.692 119.244 119.950 -0.022 0.000 2.613 113 F HA 0.527 5.055 4.527 0.001 0.000 0.314 113 F C -0.651 175.305 175.800 0.259 0.000 1.075 113 F CA -1.229 56.837 58.000 0.110 0.000 0.945 113 F CB 1.765 40.850 39.000 0.142 0.000 1.310 113 F HN -0.223 nan 8.300 nan 0.000 0.467 114 I N 2.771 123.715 120.570 0.624 0.000 2.534 114 I HA 0.472 4.642 4.170 0.001 0.000 0.288 114 I C -1.879 174.561 176.117 0.539 0.000 1.077 114 I CA -1.040 60.606 61.300 0.577 0.000 1.051 114 I CB 1.513 39.800 38.000 0.478 0.000 1.234 114 I HN 0.541 nan 8.210 nan 0.000 0.425 115 L N 8.415 129.962 121.223 0.541 0.000 2.290 115 L HA 0.487 4.828 4.340 0.001 0.000 0.284 115 L C -1.283 175.718 176.870 0.218 0.000 1.078 115 L CA 0.071 55.094 54.840 0.305 0.000 0.815 115 L CB 0.947 43.077 42.059 0.118 0.000 1.162 115 L HN 0.502 nan 8.230 nan 0.000 0.435 116 L N 5.283 126.574 121.223 0.113 0.000 2.287 116 L HA 0.485 4.826 4.340 0.001 0.000 0.287 116 L C -0.034 176.896 176.870 0.101 0.000 1.022 116 L CA -0.405 54.411 54.840 -0.040 0.000 0.814 116 L CB 1.435 43.216 42.059 -0.463 0.000 1.217 116 L HN 0.630 nan 8.230 nan 0.000 0.420 117 E N 4.070 124.304 120.200 0.057 0.000 2.174 117 E HA 0.430 4.781 4.350 0.001 0.000 0.282 117 E C -1.569 175.041 176.600 0.016 0.000 0.992 117 E CA -0.495 55.829 56.400 -0.127 0.000 0.803 117 E CB 1.018 30.698 29.700 -0.032 0.000 1.090 117 E HN 0.444 nan 8.360 nan 0.000 0.396 118 Y N 1.611 121.749 120.300 -0.269 0.000 2.728 118 Y HA 0.438 4.989 4.550 0.001 0.000 0.330 118 Y C -0.222 175.595 175.900 -0.138 0.000 1.234 118 Y CA -1.732 56.296 58.100 -0.119 0.000 1.070 118 Y CB 0.413 38.872 38.460 -0.003 0.000 1.300 118 Y HN 0.510 nan 8.280 nan 0.000 0.467 119 N N -0.321 118.378 118.700 -0.002 0.000 2.740 119 N HA -0.293 4.448 4.740 0.001 0.000 0.248 119 N C -1.035 174.431 175.510 -0.073 0.000 1.062 119 N CA 0.977 53.975 53.050 -0.087 0.000 0.704 119 N CB -1.570 36.750 38.487 -0.279 0.000 0.968 119 N HN 0.856 nan 8.380 nan 0.000 0.547 120 Y N 0.109 120.336 120.300 -0.122 0.000 2.632 120 Y HA 0.287 4.837 4.550 0.001 0.000 0.329 120 Y C 0.024 175.884 175.900 -0.066 0.000 1.174 120 Y CA 0.027 58.055 58.100 -0.120 0.000 1.469 120 Y CB 0.709 39.058 38.460 -0.185 0.000 1.242 120 Y HN -0.007 nan 8.280 nan 0.000 0.540 121 V N 8.064 127.583 119.914 -0.658 0.000 2.447 121 V HA 0.203 4.324 4.120 0.001 0.000 0.292 121 V C -0.319 175.366 176.094 -0.682 0.000 1.021 121 V CA -1.414 60.567 62.300 -0.532 0.000 0.850 121 V CB 1.318 32.990 31.823 -0.252 0.000 1.005 121 V HN 0.753 nan 8.190 nan 0.000 0.426 122 K N 3.625 123.611 120.400 -0.690 0.000 2.382 122 K HA 0.243 4.564 4.320 0.001 0.000 0.275 122 K C 0.376 176.802 176.600 -0.290 0.000 1.009 122 K CA 0.198 56.252 56.287 -0.388 0.000 0.970 122 K CB 1.211 33.660 32.500 -0.084 0.000 0.934 122 K HN 0.817 nan 8.250 nan 0.000 0.479 123 Q N 2.892 122.506 119.800 -0.311 0.000 2.729 123 Q HA 0.178 4.519 4.340 0.001 0.000 0.228 123 Q C -0.002 175.705 176.000 -0.488 0.000 1.021 123 Q CA -0.407 55.000 55.803 -0.660 0.000 0.561 123 Q CB 0.107 28.284 28.738 -0.935 0.000 3.921 123 Q HN 0.718 nan 8.270 nan 0.000 0.430 124 W N 0.277 121.573 121.300 -0.007 0.000 1.705 124 W HA 0.283 4.944 4.660 0.001 0.000 0.634 124 W C 1.890 178.395 176.519 -0.023 0.000 1.570 124 W CA -0.407 56.958 57.345 0.033 0.000 1.631 124 W CB -0.203 29.228 29.460 -0.048 0.000 3.266 124 W HN 0.365 nan 8.180 nan 0.000 0.778 125 R N -0.621 119.974 120.500 0.158 0.000 2.092 125 R HA -0.139 4.202 4.340 0.001 0.000 0.231 125 R C 1.674 177.810 176.300 -0.274 0.000 1.119 125 R CA 1.997 58.017 56.100 -0.133 0.000 0.970 125 R CB -0.485 29.605 30.300 -0.350 0.000 0.864 125 R HN 0.468 nan 8.270 nan 0.000 0.440 126 H N -1.004 118.137 119.070 0.118 0.000 2.927 126 H HA 0.218 4.775 4.556 0.001 0.000 0.255 126 H C 0.383 175.803 175.328 0.152 0.000 0.974 126 H CA 0.501 56.641 56.048 0.154 0.000 1.199 126 H CB 0.281 30.108 29.762 0.107 0.000 1.447 126 H HN 0.231 nan 8.280 nan 0.000 0.467 127 S N 1.278 116.974 115.700 -0.006 0.000 2.592 127 S HA 0.385 4.855 4.470 0.001 0.000 0.271 127 S C -0.294 174.197 174.600 -0.182 0.000 1.326 127 S CA -0.439 57.478 58.200 -0.472 0.000 1.024 127 S CB 0.770 63.145 63.200 -1.376 0.000 0.921 127 S HN 0.447 nan 8.310 nan 0.000 0.527 128 Y N -2.348 117.824 120.300 -0.214 0.000 2.774 128 Y HA 0.634 5.185 4.550 0.001 0.000 0.346 128 Y C -0.822 175.074 175.900 -0.007 0.000 1.222 128 Y CA -0.869 57.117 58.100 -0.190 0.000 1.088 128 Y CB 0.420 38.771 38.460 -0.182 0.000 1.354 128 Y HN 0.903 nan 8.280 nan 0.000 0.455 129 T N -0.108 114.518 114.554 0.120 0.000 2.930 129 T HA 1.031 5.382 4.350 0.001 0.000 0.290 129 T C -0.472 174.329 174.700 0.169 0.000 1.052 129 T CA -0.196 61.984 62.100 0.134 0.000 1.017 129 T CB 1.825 70.718 68.868 0.042 0.000 1.137 129 T HN 1.960 nan 8.240 nan 0.000 0.511 130 A N 0.709 123.590 122.820 0.103 0.000 2.540 130 A HA 0.757 5.077 4.320 0.001 0.000 0.291 130 A C -0.739 176.622 177.584 -0.372 0.000 1.083 130 A CA -0.993 50.954 52.037 -0.151 0.000 0.650 130 A CB 0.918 19.819 19.000 -0.165 0.000 1.292 130 A HN 0.881 nan 8.150 nan 0.000 0.435 131 S N -0.645 114.590 115.700 -0.775 0.000 2.593 131 S HA 0.823 5.294 4.470 0.001 0.000 0.297 131 S C -1.481 172.448 174.600 -1.120 0.000 1.112 131 S CA -0.117 57.558 58.200 -0.876 0.000 1.043 131 S CB 0.757 63.215 63.200 -1.237 0.000 1.054 131 S HN 0.462 nan 8.310 nan 0.000 0.516 132 Y N 0.136 120.246 120.300 -0.316 0.000 2.545 132 Y HA 0.557 5.108 4.550 0.001 0.000 0.348 132 Y C -0.421 175.544 175.900 0.109 0.000 1.002 132 Y CA -0.970 57.092 58.100 -0.064 0.000 1.039 132 Y CB 1.755 40.104 38.460 -0.186 0.000 1.271 132 Y HN 0.477 nan 8.280 nan 0.000 0.467 133 D N 1.639 122.242 120.400 0.339 0.000 2.732 133 D HA 0.558 5.199 4.640 0.001 0.000 0.229 133 D C -1.056 175.357 176.300 0.188 0.000 1.152 133 D CA -0.340 53.821 54.000 0.268 0.000 0.854 133 D CB 2.455 43.483 40.800 0.380 0.000 1.590 133 D HN 0.379 nan 8.370 nan 0.000 0.468 134 I N 1.861 122.542 120.570 0.186 0.000 2.378 134 I HA 0.280 4.451 4.170 0.001 0.000 0.291 134 I C -0.992 175.337 176.117 0.354 0.000 0.992 134 I CA -1.019 60.429 61.300 0.246 0.000 1.154 134 I CB 1.475 39.571 38.000 0.160 0.000 1.315 134 I HN 0.237 nan 8.210 nan 0.000 0.448 135 Y N 5.509 125.982 120.300 0.288 0.000 2.341 135 Y HA 0.289 4.839 4.550 0.001 0.000 0.337 135 Y C -0.135 175.971 175.900 0.343 0.000 1.014 135 Y CA -0.622 57.660 58.100 0.304 0.000 1.111 135 Y CB 1.185 39.859 38.460 0.356 0.000 1.194 135 Y HN 0.481 nan 8.280 nan 0.000 0.462 136 D N 6.428 126.703 120.400 -0.207 0.000 2.336 136 D HA 0.103 4.743 4.640 0.001 0.000 0.249 136 D C 0.659 176.640 176.300 -0.532 0.000 1.213 136 D CA 0.233 54.086 54.000 -0.245 0.000 0.870 136 D CB 0.989 41.692 40.800 -0.162 0.000 1.076 136 D HN 0.866 nan 8.370 nan 0.000 0.483 137 L N 3.503 124.512 121.223 -0.358 0.000 2.313 137 L HA -0.076 4.265 4.340 0.001 0.000 0.214 137 L C 1.951 178.653 176.870 -0.281 0.000 1.119 137 L CA 0.294 55.001 54.840 -0.222 0.000 0.809 137 L CB -0.199 41.777 42.059 -0.140 0.000 0.933 137 L HN 0.326 nan 8.230 nan 0.000 0.449 138 N N 1.217 119.708 118.700 -0.348 0.000 2.220 138 N HA -0.117 4.623 4.740 0.001 0.000 0.182 138 N C 1.567 176.949 175.510 -0.212 0.000 1.023 138 N CA 1.155 54.048 53.050 -0.262 0.000 0.856 138 N CB -0.043 38.284 38.487 -0.267 0.000 0.997 138 N HN 0.453 nan 8.380 nan 0.000 0.429 139 K N 0.868 121.129 120.400 -0.230 0.000 2.417 139 K HA 0.202 4.523 4.320 0.001 0.000 0.196 139 K C -0.288 176.185 176.600 -0.212 0.000 1.023 139 K CA -0.228 55.953 56.287 -0.177 0.000 1.122 139 K CB 0.465 32.884 32.500 -0.135 0.000 0.850 139 K HN -0.217 nan 8.250 nan 0.000 0.521 140 R N 1.297 121.614 120.500 -0.305 0.000 3.322 140 R HA -0.206 4.135 4.340 0.001 0.000 0.253 140 R C -0.793 175.280 176.300 -0.378 0.000 0.987 140 R CA 0.974 56.882 56.100 -0.319 0.000 0.666 140 R CB -2.427 27.828 30.300 -0.075 0.000 1.072 140 R HN 0.778 nan 8.270 nan 0.000 0.447 141 Q N 0.394 119.831 119.800 -0.604 0.000 2.372 141 Q HA 0.437 4.778 4.340 0.001 0.000 0.273 141 Q C -1.168 174.697 176.000 -0.224 0.000 1.078 141 Q CA -1.026 54.614 55.803 -0.272 0.000 0.806 141 Q CB 1.708 30.375 28.738 -0.119 0.000 1.332 141 Q HN 0.158 nan 8.270 nan 0.000 0.435 142 L N 5.084 126.400 121.223 0.153 0.000 2.315 142 L HA 0.364 4.705 4.340 0.001 0.000 0.283 142 L C -0.603 176.374 176.870 0.179 0.000 1.089 142 L CA 0.143 55.177 54.840 0.323 0.000 0.833 142 L CB 0.408 42.733 42.059 0.443 0.000 1.170 142 L HN 0.631 nan 8.230 nan 0.000 0.442 143 I N 5.178 125.845 120.570 0.162 0.000 2.668 143 I HA -0.010 4.161 4.170 0.001 0.000 0.285 143 I C 1.085 177.258 176.117 0.093 0.000 1.168 143 I CA 0.556 61.919 61.300 0.105 0.000 1.424 143 I CB 0.471 38.525 38.000 0.091 0.000 1.377 143 I HN 0.820 nan 8.210 nan 0.000 0.560 144 T N 0.967 115.558 114.554 0.061 0.000 3.010 144 T HA 0.213 4.563 4.350 0.001 0.000 0.257 144 T C 0.464 175.171 174.700 0.013 0.000 1.020 144 T CA -0.359 61.768 62.100 0.045 0.000 0.938 144 T CB 0.066 68.961 68.868 0.044 0.000 1.049 144 T HN 0.549 nan 8.240 nan 0.000 0.522 145 E N 2.211 122.413 120.200 0.004 0.000 2.231 145 E HA 0.339 4.690 4.350 0.001 0.000 0.277 145 E C -0.519 176.057 176.600 -0.039 0.000 0.999 145 E CA -0.863 55.526 56.400 -0.017 0.000 0.827 145 E CB 0.637 30.330 29.700 -0.011 0.000 1.101 145 E HN 0.116 nan 8.360 nan 0.000 0.393 146 E N 1.428 121.592 120.200 -0.060 0.000 2.210 146 E HA -0.239 4.111 4.350 0.001 0.000 0.201 146 E C -0.528 176.003 176.600 -0.115 0.000 1.339 146 E CA 0.775 57.121 56.400 -0.090 0.000 0.699 146 E CB -1.597 28.057 29.700 -0.076 0.000 1.126 146 E HN 0.583 nan 8.360 nan 0.000 0.355 147 R N -0.493 119.930 120.500 -0.129 0.000 2.528 147 R HA 0.619 4.960 4.340 0.001 0.000 0.271 147 R C 0.846 176.974 176.300 -0.287 0.000 1.056 147 R CA -0.881 55.127 56.100 -0.154 0.000 1.117 147 R CB 0.799 31.049 30.300 -0.082 0.000 1.085 147 R HN 0.029 nan 8.270 nan 0.000 0.530 148 I N 2.194 122.547 120.570 -0.362 0.000 2.775 148 I HA 0.007 4.178 4.170 0.001 0.000 0.290 148 I C -1.763 174.034 176.117 -0.533 0.000 1.203 148 I CA -1.490 59.424 61.300 -0.644 0.000 1.433 148 I CB 0.185 37.809 38.000 -0.627 0.000 1.354 148 I HN 0.415 nan 8.210 nan 0.000 0.579 149 P HA 0.072 nan 4.420 nan 0.000 0.272 149 P C -0.635 176.446 177.300 -0.365 0.000 1.230 149 P CA -0.321 62.366 63.100 -0.689 0.000 0.788 149 P CB 0.415 31.222 31.700 -1.488 0.000 0.949 150 N N 2.369 120.956 118.700 -0.188 0.000 2.444 150 N HA 0.028 4.768 4.740 0.001 0.000 0.255 150 N C 0.336 175.920 175.510 0.125 0.000 1.255 150 N CA 0.238 53.245 53.050 -0.073 0.000 0.933 150 N CB -0.052 38.398 38.487 -0.063 0.000 1.143 150 N HN 0.438 nan 8.380 nan 0.000 0.453 151 N N -0.555 118.188 118.700 0.071 0.000 2.776 151 N HA -0.149 4.592 4.740 0.001 0.000 0.250 151 N C -0.803 174.868 175.510 0.268 0.000 1.112 151 N CA 0.707 53.839 53.050 0.137 0.000 0.733 151 N CB -1.651 36.919 38.487 0.139 0.000 1.097 151 N HN 0.479 nan 8.380 nan 0.000 0.558 152 T N 0.900 115.612 114.554 0.264 0.000 2.870 152 T HA 0.095 4.446 4.350 0.001 0.000 0.300 152 T C 1.720 176.578 174.700 0.264 0.000 0.989 152 T CA 0.130 62.414 62.100 0.308 0.000 1.139 152 T CB 1.136 70.099 68.868 0.159 0.000 0.920 152 T HN 0.169 nan 8.240 nan 0.000 0.537 153 Q N 1.917 121.862 119.800 0.242 0.000 2.269 153 Q HA 0.136 4.477 4.340 0.001 0.000 0.201 153 Q C 0.181 176.334 176.000 0.255 0.000 0.946 153 Q CA 0.509 56.462 55.803 0.249 0.000 0.877 153 Q CB 0.677 29.519 28.738 0.173 0.000 0.963 153 Q HN 0.708 nan 8.270 nan 0.000 0.472 154 W N -0.410 120.846 121.300 -0.073 0.000 3.571 154 W HA 0.489 5.150 4.660 0.001 0.000 0.294 154 W C -2.360 174.065 176.519 -0.158 0.000 1.257 154 W CA -0.720 56.534 57.345 -0.152 0.000 1.206 154 W CB 1.176 30.485 29.460 -0.253 0.000 1.325 154 W HN -0.287 nan 8.180 nan 0.000 0.546 155 V N 4.570 123.732 119.914 -1.254 0.000 2.888 155 V HA 0.825 4.946 4.120 0.001 0.000 0.309 155 V C -1.461 173.954 176.094 -1.132 0.000 1.114 155 V CA -0.117 61.589 62.300 -0.990 0.000 0.940 155 V CB 2.356 33.532 31.823 -1.078 0.000 1.021 155 V HN 0.600 nan 8.190 nan 0.000 0.426 156 T N 5.437 119.665 114.554 -0.544 0.000 3.193 156 T HA 0.454 4.804 4.350 0.001 0.000 0.332 156 T C -1.243 173.521 174.700 0.107 0.000 1.208 156 T CA -0.318 61.666 62.100 -0.195 0.000 1.080 156 T CB 0.701 69.678 68.868 0.181 0.000 1.180 156 T HN 0.704 nan 8.240 nan 0.000 0.469 157 W N 3.216 124.569 121.300 0.089 0.000 2.112 157 W HA 0.426 5.087 4.660 0.001 0.000 0.349 157 W C 1.306 177.748 176.519 -0.127 0.000 1.289 157 W CA -0.622 56.741 57.345 0.029 0.000 1.256 157 W CB 0.599 30.062 29.460 0.005 0.000 1.148 157 W HN 0.795 nan 8.180 nan 0.000 0.590 158 S N 1.796 117.335 115.700 -0.268 0.000 2.600 158 S HA 0.136 4.607 4.470 0.001 0.000 0.265 158 S C -1.402 172.916 174.600 -0.470 0.000 1.325 158 S CA -1.044 56.384 58.200 -1.287 0.000 1.002 158 S CB 0.951 63.315 63.200 -1.393 0.000 0.921 158 S HN 0.402 nan 8.310 nan 0.000 0.554 159 P HA 0.031 nan 4.420 nan 0.000 0.220 159 P C -0.004 177.233 177.300 -0.105 0.000 1.148 159 P CA 0.739 63.779 63.100 -0.099 0.000 0.803 159 P CB 0.008 31.696 31.700 -0.020 0.000 0.782 160 V N -1.522 118.278 119.914 -0.189 0.000 2.962 160 V HA 0.637 4.758 4.120 0.001 0.000 0.313 160 V C 0.800 176.764 176.094 -0.216 0.000 1.099 160 V CA 0.087 62.297 62.300 -0.151 0.000 0.971 160 V CB 1.062 32.812 31.823 -0.121 0.000 1.028 160 V HN 0.459 nan 8.190 nan 0.000 0.430 161 G N 2.506 111.192 108.800 -0.189 0.000 2.514 161 G HA2 -0.204 3.757 3.960 0.001 0.000 0.265 161 G HA3 -0.204 3.757 3.960 0.001 0.000 0.265 161 G C 0.137 174.894 174.900 -0.239 0.000 1.150 161 G CA 0.594 45.529 45.100 -0.276 0.000 0.959 161 G HN 1.849 nan 8.290 nan 0.000 0.556 162 H N -0.583 118.439 119.070 -0.081 0.000 3.204 162 H HA 0.396 4.953 4.556 0.001 0.000 0.240 162 H C 0.303 175.753 175.328 0.204 0.000 1.259 162 H CA -0.134 55.883 56.048 -0.051 0.000 0.991 162 H CB -0.148 29.604 29.762 -0.017 0.000 2.583 162 H HN 0.514 nan 8.280 nan 0.000 0.638 163 K N 1.569 122.046 120.400 0.128 0.000 2.138 163 K HA 0.512 4.833 4.320 0.001 0.000 0.251 163 K C -0.432 176.360 176.600 0.320 0.000 1.015 163 K CA -0.389 55.996 56.287 0.164 0.000 0.917 163 K CB 1.638 34.091 32.500 -0.078 0.000 1.021 163 K HN 0.092 nan 8.250 nan 0.000 0.485 164 L N 0.593 122.008 121.223 0.320 0.000 2.388 164 L HA 0.600 4.941 4.340 0.001 0.000 0.264 164 L C -1.124 175.964 176.870 0.365 0.000 0.998 164 L CA -0.812 54.169 54.840 0.236 0.000 0.817 164 L CB 2.219 44.243 42.059 -0.057 0.000 1.338 164 L HN 0.725 nan 8.230 nan 0.000 0.414 165 A N 2.183 125.180 122.820 0.295 0.000 2.398 165 A HA 0.823 5.144 4.320 0.001 0.000 0.301 165 A C -1.688 175.905 177.584 0.015 0.000 1.041 165 A CA -0.380 51.705 52.037 0.080 0.000 0.711 165 A CB 1.224 20.157 19.000 -0.111 0.000 1.240 165 A HN 0.646 nan 8.150 nan 0.000 0.420 166 Y N -0.603 119.642 120.300 -0.091 0.000 2.588 166 Y HA 0.788 5.339 4.550 0.001 0.000 0.343 166 Y C -1.223 174.683 175.900 0.010 0.000 1.065 166 Y CA -1.575 56.448 58.100 -0.127 0.000 1.038 166 Y CB 1.156 39.472 38.460 -0.239 0.000 1.297 166 Y HN 0.407 nan 8.280 nan 0.000 0.467 167 V N 2.031 122.061 119.914 0.194 0.000 2.495 167 V HA 0.398 4.518 4.120 0.001 0.000 0.298 167 V C -1.478 174.831 176.094 0.358 0.000 1.031 167 V CA -0.591 61.802 62.300 0.156 0.000 0.871 167 V CB 1.444 33.277 31.823 0.017 0.000 0.988 167 V HN 0.873 nan 8.190 nan 0.000 0.432 168 W N 4.808 126.202 121.300 0.156 0.000 3.097 168 W HA 0.455 5.116 4.660 0.001 0.000 0.335 168 W C 0.266 176.837 176.519 0.086 0.000 1.114 168 W CA -0.799 56.617 57.345 0.119 0.000 1.231 168 W CB 1.241 30.752 29.460 0.085 0.000 1.388 168 W HN 0.783 nan 8.180 nan 0.000 0.485 169 N N 5.394 123.800 118.700 -0.489 0.000 2.721 169 N HA -0.351 4.390 4.740 0.001 0.000 0.249 169 N C 0.116 175.476 175.510 -0.250 0.000 1.072 169 N CA 1.045 53.779 53.050 -0.527 0.000 0.710 169 N CB -1.087 36.865 38.487 -0.892 0.000 0.993 169 N HN 0.825 nan 8.380 nan 0.000 0.547 170 N N -1.838 116.773 118.700 -0.147 0.000 2.800 170 N HA -0.168 4.572 4.740 0.001 0.000 0.250 170 N C -1.314 174.125 175.510 -0.119 0.000 1.078 170 N CA 1.036 54.013 53.050 -0.121 0.000 0.804 170 N CB -0.345 38.031 38.487 -0.184 0.000 1.135 170 N HN 0.427 nan 8.380 nan 0.000 0.565 171 D N 0.415 120.753 120.400 -0.102 0.000 2.433 171 D HA 0.500 5.141 4.640 0.001 0.000 0.236 171 D C 0.058 176.190 176.300 -0.280 0.000 1.026 171 D CA -0.382 53.477 54.000 -0.235 0.000 0.884 171 D CB 1.644 42.254 40.800 -0.318 0.000 1.384 171 D HN 0.018 nan 8.370 nan 0.000 0.477 172 I N 1.803 122.055 120.570 -0.530 0.000 2.396 172 I HA 0.236 4.407 4.170 0.001 0.000 0.292 172 I C -0.678 174.964 176.117 -0.791 0.000 0.999 172 I CA -0.447 60.516 61.300 -0.562 0.000 1.310 172 I CB 0.561 38.153 38.000 -0.680 0.000 1.404 172 I HN 0.153 nan 8.210 nan 0.000 0.496 173 Y N 4.287 124.199 120.300 -0.646 0.000 2.499 173 Y HA 0.622 5.173 4.550 0.001 0.000 0.347 173 Y C -0.265 175.302 175.900 -0.555 0.000 0.987 173 Y CA -0.903 56.777 58.100 -0.699 0.000 1.044 173 Y CB 2.063 39.806 38.460 -1.194 0.000 1.245 173 Y HN 0.122 nan 8.280 nan 0.000 0.461 174 V N 2.831 122.693 119.914 -0.088 0.000 2.656 174 V HA 0.476 4.596 4.120 0.001 0.000 0.307 174 V C -0.877 175.364 176.094 0.245 0.000 1.051 174 V CA -1.361 60.984 62.300 0.075 0.000 0.893 174 V CB 2.068 33.945 31.823 0.089 0.000 0.999 174 V HN 0.621 nan 8.190 nan 0.000 0.426 175 K N 4.234 124.790 120.400 0.260 0.000 2.483 175 K HA 0.488 4.808 4.320 0.001 0.000 0.256 175 K C 0.354 177.108 176.600 0.257 0.000 0.961 175 K CA -0.699 55.738 56.287 0.250 0.000 0.873 175 K CB 1.672 34.274 32.500 0.170 0.000 1.107 175 K HN 0.435 nan 8.250 nan 0.000 0.432 176 I N 1.250 121.995 120.570 0.292 0.000 2.439 176 I HA -0.075 4.095 4.170 0.001 0.000 0.251 176 I C 0.361 176.608 176.117 0.217 0.000 1.139 176 I CA 1.445 62.885 61.300 0.233 0.000 1.438 176 I CB -0.329 37.811 38.000 0.232 0.000 1.085 176 I HN 0.555 nan 8.210 nan 0.000 0.427 177 E N -0.475 119.826 120.200 0.168 0.000 2.293 177 E HA 0.287 4.638 4.350 0.001 0.000 0.270 177 E C -1.919 174.665 176.600 -0.027 0.000 0.879 177 E CA -1.968 54.484 56.400 0.086 0.000 0.756 177 E CB 1.912 31.659 29.700 0.078 0.000 1.208 177 E HN -0.183 nan 8.360 nan 0.000 0.428 178 P HA -0.174 nan 4.420 nan 0.000 0.216 178 P C 0.624 177.849 177.300 -0.125 0.000 1.150 178 P CA 1.556 64.511 63.100 -0.241 0.000 0.843 178 P CB 0.234 31.570 31.700 -0.606 0.000 0.787 179 N N -2.014 116.633 118.700 -0.089 0.000 2.270 179 N HA 0.058 4.798 4.740 0.001 0.000 0.198 179 N C 0.110 175.604 175.510 -0.027 0.000 1.117 179 N CA 0.099 53.126 53.050 -0.037 0.000 0.845 179 N CB -0.437 38.046 38.487 -0.005 0.000 0.980 179 N HN 0.075 nan 8.380 nan 0.000 0.486 180 L N 0.538 121.747 121.223 -0.023 0.000 2.352 180 L HA 0.559 4.900 4.340 0.001 0.000 0.269 180 L C -2.079 174.757 176.870 -0.057 0.000 1.034 180 L CA -2.643 52.183 54.840 -0.024 0.000 0.806 180 L CB 1.386 43.452 42.059 0.012 0.000 1.244 180 L HN -0.028 nan 8.230 nan 0.000 0.447 181 P HA 0.016 nan 4.420 nan 0.000 0.268 181 P C -0.692 176.478 177.300 -0.217 0.000 1.205 181 P CA -0.216 62.795 63.100 -0.149 0.000 0.771 181 P CB 0.825 32.423 31.700 -0.169 0.000 0.858 182 S N 2.537 118.165 115.700 -0.119 0.000 2.601 182 S HA 0.372 4.843 4.470 0.001 0.000 0.271 182 S C -0.541 173.994 174.600 -0.109 0.000 1.305 182 S CA -0.469 57.712 58.200 -0.032 0.000 1.022 182 S CB 0.112 63.393 63.200 0.136 0.000 0.940 182 S HN 0.325 nan 8.310 nan 0.000 0.525 183 Y N 0.301 120.634 120.300 0.055 0.000 2.320 183 Y HA 0.431 4.982 4.550 0.001 0.000 0.334 183 Y C 1.106 176.944 175.900 -0.104 0.000 1.055 183 Y CA -0.881 57.230 58.100 0.017 0.000 1.143 183 Y CB 0.906 39.375 38.460 0.015 0.000 1.193 183 Y HN 0.484 nan 8.280 nan 0.000 0.477 184 R N 3.823 124.295 120.500 -0.047 0.000 2.267 184 R HA 0.167 4.507 4.340 0.001 0.000 0.319 184 R C 0.287 176.365 176.300 -0.371 0.000 1.067 184 R CA 0.129 55.901 56.100 -0.547 0.000 0.936 184 R CB 0.555 30.368 30.300 -0.812 0.000 1.006 184 R HN 0.793 nan 8.270 nan 0.000 0.452 185 I N 1.408 121.656 120.570 -0.537 0.000 2.628 185 I HA -0.051 4.120 4.170 0.001 0.000 0.255 185 I C 1.295 177.231 176.117 -0.302 0.000 1.119 185 I CA 1.113 62.214 61.300 -0.332 0.000 1.448 185 I CB -0.491 37.258 38.000 -0.418 0.000 1.133 185 I HN 0.490 nan 8.210 nan 0.000 0.438 186 T N -3.829 110.411 114.554 -0.522 0.000 2.907 186 T HA 0.411 4.762 4.350 0.001 0.000 0.292 186 T C -0.689 173.753 174.700 -0.431 0.000 1.043 186 T CA -0.507 61.394 62.100 -0.332 0.000 1.003 186 T CB 2.011 70.643 68.868 -0.393 0.000 1.084 186 T HN 0.171 nan 8.240 nan 0.000 0.483 187 W N 0.347 121.534 121.300 -0.187 0.000 2.518 187 W HA 0.246 4.907 4.660 0.001 0.000 0.352 187 W C 1.790 178.254 176.519 -0.093 0.000 0.952 187 W CA -0.144 57.126 57.345 -0.126 0.000 1.624 187 W CB 0.267 29.673 29.460 -0.090 0.000 1.135 187 W HN 0.927 nan 8.180 nan 0.000 0.540 188 T N -2.830 111.765 114.554 0.068 0.000 3.086 188 T HA 0.294 4.644 4.350 0.001 0.000 0.250 188 T C 1.214 175.910 174.700 -0.007 0.000 1.074 188 T CA 0.166 62.289 62.100 0.039 0.000 0.988 188 T CB -0.087 68.800 68.868 0.032 0.000 0.988 188 T HN 0.002 nan 8.240 nan 0.000 0.530 189 G N 1.312 110.079 108.800 -0.056 0.000 2.321 189 G HA2 0.346 4.306 3.960 0.001 0.000 0.237 189 G HA3 0.346 4.306 3.960 0.001 0.000 0.237 189 G C -0.604 174.237 174.900 -0.098 0.000 1.282 189 G CA -0.373 44.673 45.100 -0.091 0.000 0.886 189 G HN 0.560 nan 8.290 nan 0.000 0.528 190 K N 1.953 122.275 120.400 -0.130 0.000 2.619 190 K HA 0.153 4.473 4.320 0.001 0.000 0.251 190 K C -0.130 176.349 176.600 -0.202 0.000 0.987 190 K CA -0.629 55.580 56.287 -0.129 0.000 0.844 190 K CB 1.435 33.896 32.500 -0.066 0.000 1.237 190 K HN 0.630 nan 8.250 nan 0.000 0.447 191 E N 2.953 123.037 120.200 -0.195 0.000 2.765 191 E HA -0.176 4.174 4.350 0.001 0.000 0.256 191 E C -0.540 175.953 176.600 -0.178 0.000 0.935 191 E CA 1.159 57.435 56.400 -0.205 0.000 0.954 191 E CB 0.246 29.866 29.700 -0.133 0.000 0.908 191 E HN 0.645 nan 8.360 nan 0.000 0.500 192 D N 2.417 122.678 120.400 -0.232 0.000 3.070 192 D HA -0.240 4.400 4.640 0.001 0.000 0.220 192 D C 0.449 176.776 176.300 0.045 0.000 1.176 192 D CA 1.270 55.257 54.000 -0.022 0.000 0.924 192 D CB -0.454 40.386 40.800 0.067 0.000 1.124 192 D HN 0.397 nan 8.370 nan 0.000 0.411 193 I N -1.320 119.196 120.570 -0.090 0.000 3.685 193 I HA 0.095 4.266 4.170 0.001 0.000 0.258 193 I C 0.633 176.840 176.117 0.150 0.000 1.135 193 I CA 0.352 61.697 61.300 0.075 0.000 1.436 193 I CB 0.192 38.211 38.000 0.032 0.000 1.670 193 I HN -0.144 nan 8.210 nan 0.000 0.424 194 I N 2.077 122.654 120.570 0.013 0.000 2.382 194 I HA 0.277 4.448 4.170 0.001 0.000 0.286 194 I C -1.265 174.889 176.117 0.062 0.000 1.002 194 I CA -0.547 60.830 61.300 0.127 0.000 1.135 194 I CB 0.876 38.919 38.000 0.072 0.000 1.288 194 I HN 0.035 nan 8.210 nan 0.000 0.448 195 Y N 4.716 125.106 120.300 0.151 0.000 2.334 195 Y HA 0.406 4.957 4.550 0.001 0.000 0.336 195 Y C 0.446 176.409 175.900 0.104 0.000 0.960 195 Y CA -0.860 57.327 58.100 0.145 0.000 1.164 195 Y CB 0.973 39.589 38.460 0.259 0.000 1.155 195 Y HN 0.406 nan 8.280 nan 0.000 0.478 196 N N 2.086 120.854 118.700 0.113 0.000 2.424 196 N HA 0.356 5.097 4.740 0.001 0.000 0.271 196 N C 0.873 176.321 175.510 -0.104 0.000 0.985 196 N CA 0.462 53.505 53.050 -0.012 0.000 0.921 196 N CB 1.872 40.256 38.487 -0.173 0.000 1.149 196 N HN 0.966 nan 8.380 nan 0.000 0.492 197 G N 1.540 110.290 108.800 -0.084 0.000 2.205 197 G HA2 -0.258 3.703 3.960 0.001 0.000 0.261 197 G HA3 -0.258 3.703 3.960 0.001 0.000 0.261 197 G C 0.149 174.890 174.900 -0.266 0.000 0.980 197 G CA 0.774 45.749 45.100 -0.207 0.000 0.632 197 G HN 0.658 nan 8.290 nan 0.000 0.533 198 I N -1.655 118.829 120.570 -0.144 0.000 2.934 198 I HA 0.819 4.990 4.170 0.001 0.000 0.306 198 I C 0.306 176.441 176.117 0.031 0.000 1.110 198 I CA -0.644 60.481 61.300 -0.291 0.000 1.019 198 I CB 2.037 39.661 38.000 -0.628 0.000 1.227 198 I HN 0.167 nan 8.210 nan 0.000 0.434 199 T N -0.461 114.050 114.554 -0.073 0.000 2.918 199 T HA 0.375 4.726 4.350 0.001 0.000 0.283 199 T C -0.189 174.331 174.700 -0.301 0.000 1.001 199 T CA -0.671 61.240 62.100 -0.316 0.000 1.041 199 T CB 1.363 70.130 68.868 -0.169 0.000 1.028 199 T HN 0.765 nan 8.240 nan 0.000 0.511 200 D N 0.283 120.229 120.400 -0.756 0.000 2.478 200 D HA 0.031 4.671 4.640 0.001 0.000 0.269 200 D C 0.959 177.196 176.300 -0.105 0.000 1.232 200 D CA -1.081 52.488 54.000 -0.718 0.000 1.059 200 D CB 0.123 40.410 40.800 -0.856 0.000 1.104 200 D HN 0.704 nan 8.370 nan 0.000 0.566 201 W N 0.049 121.315 121.300 -0.056 0.000 2.333 201 W HA -0.212 4.448 4.660 0.001 0.000 0.316 201 W C 2.198 178.632 176.519 -0.141 0.000 1.215 201 W CA 2.286 59.594 57.345 -0.063 0.000 1.278 201 W CB -0.439 28.922 29.460 -0.166 0.000 1.154 201 W HN 0.186 nan 8.180 nan 0.000 0.486 202 V N -0.189 119.824 119.914 0.166 0.000 2.427 202 V HA -0.290 3.830 4.120 0.001 0.000 0.248 202 V C 1.874 177.828 176.094 -0.234 0.000 1.051 202 V CA 1.988 64.274 62.300 -0.023 0.000 1.048 202 V CB -0.734 31.058 31.823 -0.051 0.000 0.666 202 V HN 0.292 nan 8.190 nan 0.000 0.456 203 Y N 0.631 120.772 120.300 -0.264 0.000 2.242 203 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 203 Y C 2.580 178.389 175.900 -0.152 0.000 1.137 203 Y CA 2.089 60.041 58.100 -0.248 0.000 1.181 203 Y CB -0.072 38.124 38.460 -0.440 0.000 0.989 203 Y HN 0.398 nan 8.280 nan 0.000 0.527 204 E N 0.354 120.525 120.200 -0.049 0.000 2.051 204 E HA -0.290 4.061 4.350 0.001 0.000 0.192 204 E C 2.020 178.572 176.600 -0.079 0.000 0.991 204 E CA 1.570 57.963 56.400 -0.011 0.000 0.799 204 E CB -0.014 29.673 29.700 -0.021 0.000 0.748 204 E HN 0.401 nan 8.360 nan 0.000 0.449 205 E N 0.334 120.301 120.200 -0.389 0.000 2.046 205 E HA -0.150 4.201 4.350 0.001 0.000 0.190 205 E C 1.609 178.095 176.600 -0.190 0.000 0.982 205 E CA 1.558 57.712 56.400 -0.409 0.000 0.800 205 E CB 0.149 29.250 29.700 -0.998 0.000 0.756 205 E HN 0.250 nan 8.360 nan 0.000 0.449 206 E N -0.789 119.281 120.200 -0.217 0.000 2.460 206 E HA 0.097 4.447 4.350 0.001 0.000 0.200 206 E C 1.543 178.012 176.600 -0.219 0.000 1.011 206 E CA 0.300 56.612 56.400 -0.146 0.000 0.912 206 E CB 1.180 30.795 29.700 -0.142 0.000 0.953 206 E HN 0.202 nan 8.360 nan 0.000 0.494 207 V N -0.648 119.093 119.914 -0.289 0.000 2.950 207 V HA 0.065 4.185 4.120 0.001 0.000 0.231 207 V C 1.336 177.194 176.094 -0.393 0.000 1.205 207 V CA 0.543 62.580 62.300 -0.439 0.000 1.239 207 V CB -0.215 31.192 31.823 -0.693 0.000 1.050 207 V HN 0.016 nan 8.190 nan 0.000 0.498 208 F N 0.750 120.727 119.950 0.045 0.000 2.746 208 F HA 0.293 4.821 4.527 0.001 0.000 0.297 208 F C 1.560 177.336 175.800 -0.039 0.000 1.113 208 F CA 0.245 58.282 58.000 0.062 0.000 1.367 208 F CB -0.269 38.812 39.000 0.136 0.000 1.111 208 F HN 0.065 nan 8.300 nan 0.000 0.590 209 S N 0.507 116.239 115.700 0.053 0.000 3.549 209 S HA -0.002 4.469 4.470 0.001 0.000 0.366 209 S C 0.087 174.332 174.600 -0.592 0.000 1.012 209 S CA 0.438 58.559 58.200 -0.130 0.000 1.141 209 S CB -1.719 61.441 63.200 -0.067 0.000 0.910 209 S HN 0.668 nan 8.310 nan 0.000 0.471 210 A N -0.604 122.058 122.820 -0.262 0.000 2.597 210 A HA 0.679 5.000 4.320 0.001 0.000 0.292 210 A C -0.350 177.204 177.584 -0.051 0.000 1.057 210 A CA -0.473 51.406 52.037 -0.264 0.000 0.674 210 A CB 0.254 19.112 19.000 -0.238 0.000 1.278 210 A HN 0.355 nan 8.150 nan 0.000 0.416 211 Y N 1.296 121.429 120.300 -0.278 0.000 2.448 211 Y HA 0.237 4.788 4.550 0.001 0.000 0.289 211 Y C 1.509 177.110 175.900 -0.499 0.000 1.114 211 Y CA 0.943 58.888 58.100 -0.259 0.000 1.235 211 Y CB 0.031 38.386 38.460 -0.175 0.000 1.045 211 Y HN 0.688 nan 8.280 nan 0.000 0.554 212 S N 0.628 115.805 115.700 -0.873 0.000 2.549 212 S HA 0.441 4.912 4.470 0.001 0.000 0.283 212 S C 0.341 174.393 174.600 -0.914 0.000 1.320 212 S CA 0.225 57.664 58.200 -1.267 0.000 1.058 212 S CB 0.434 62.590 63.200 -1.740 0.000 0.882 212 S HN 0.436 nan 8.310 nan 0.000 0.498 213 A N 5.630 127.903 122.820 -0.911 0.000 2.806 213 A HA 0.501 4.821 4.320 0.001 0.000 0.266 213 A C -0.548 176.290 177.584 -1.242 0.000 0.926 213 A CA -0.482 50.928 52.037 -1.045 0.000 1.068 213 A CB 0.006 18.839 19.000 -0.279 0.000 1.189 213 A HN 0.710 nan 8.150 nan 0.000 0.481 214 L N 0.223 120.628 121.223 -1.363 0.000 2.386 214 L HA 0.623 4.963 4.340 0.001 0.000 0.271 214 L C -1.142 175.231 176.870 -0.827 0.000 0.993 214 L CA -0.591 53.774 54.840 -0.792 0.000 0.819 214 L CB 1.959 43.767 42.059 -0.418 0.000 1.294 214 L HN 0.435 nan 8.230 nan 0.000 0.414 215 W N 2.230 123.559 121.300 0.049 0.000 2.664 215 W HA 0.219 4.880 4.660 0.001 0.000 0.314 215 W C -1.081 175.673 176.519 0.390 0.000 1.010 215 W CA -1.062 56.437 57.345 0.256 0.000 1.306 215 W CB 1.201 30.858 29.460 0.328 0.000 1.254 215 W HN 0.507 nan 8.180 nan 0.000 0.404 216 W N 2.680 124.196 121.300 0.360 0.000 2.181 216 W HA 0.178 4.839 4.660 0.001 0.000 0.335 216 W C 1.370 177.729 176.519 -0.267 0.000 1.310 216 W CA 0.428 57.843 57.345 0.117 0.000 1.226 216 W CB 0.822 30.326 29.460 0.074 0.000 1.155 216 W HN 0.171 nan 8.180 nan 0.000 0.565 217 S N 2.771 118.234 115.700 -0.395 0.000 2.600 217 S HA 0.178 4.649 4.470 0.001 0.000 0.265 217 S C -1.763 172.559 174.600 -0.463 0.000 1.325 217 S CA -1.055 56.317 58.200 -1.380 0.000 1.002 217 S CB 0.877 63.306 63.200 -1.284 0.000 0.921 217 S HN 0.295 nan 8.310 nan 0.000 0.554 218 P HA -0.190 nan 4.420 nan 0.000 0.217 218 P C 0.815 178.068 177.300 -0.080 0.000 1.158 218 P CA 1.843 64.891 63.100 -0.086 0.000 0.887 218 P CB -0.220 31.478 31.700 -0.004 0.000 0.792 219 N N -2.426 116.211 118.700 -0.104 0.000 2.230 219 N HA 0.161 4.902 4.740 0.001 0.000 0.202 219 N C 1.048 176.457 175.510 -0.168 0.000 1.119 219 N CA 0.446 53.430 53.050 -0.109 0.000 0.851 219 N CB -0.611 37.829 38.487 -0.078 0.000 0.990 219 N HN 0.197 nan 8.380 nan 0.000 0.497 220 G N -0.984 107.713 108.800 -0.172 0.000 2.179 220 G HA2 -0.344 3.617 3.960 0.001 0.000 0.260 220 G HA3 -0.344 3.617 3.960 0.001 0.000 0.260 220 G C 0.965 175.840 174.900 -0.042 0.000 0.977 220 G CA 0.754 45.728 45.100 -0.211 0.000 0.641 220 G HN 0.369 nan 8.290 nan 0.000 0.533 221 T N 0.068 114.548 114.554 -0.123 0.000 2.701 221 T HA 0.182 4.533 4.350 0.001 0.000 0.263 221 T C 0.913 175.469 174.700 -0.240 0.000 1.040 221 T CA 1.363 63.300 62.100 -0.272 0.000 1.147 221 T CB -0.097 68.454 68.868 -0.529 0.000 0.865 221 T HN 0.295 nan 8.240 nan 0.000 0.426 222 F N 0.330 120.320 119.950 0.068 0.000 2.432 222 F HA 0.621 5.148 4.527 0.001 0.000 0.329 222 F C -0.175 175.736 175.800 0.185 0.000 1.076 222 F CA -1.602 56.485 58.000 0.145 0.000 1.018 222 F CB 1.027 40.169 39.000 0.237 0.000 1.201 222 F HN -0.092 nan 8.300 nan 0.000 0.489 223 L N 2.676 124.091 121.223 0.320 0.000 2.372 223 L HA 0.782 5.123 4.340 0.001 0.000 0.273 223 L C -0.657 176.325 176.870 0.186 0.000 0.989 223 L CA -0.512 54.330 54.840 0.003 0.000 0.841 223 L CB 0.719 42.507 42.059 -0.450 0.000 1.225 223 L HN 0.662 nan 8.230 nan 0.000 0.414 224 A N 4.684 127.690 122.820 0.309 0.000 2.303 224 A HA 0.783 5.104 4.320 0.001 0.000 0.317 224 A C -1.358 176.313 177.584 0.144 0.000 1.149 224 A CA -0.221 51.876 52.037 0.100 0.000 0.822 224 A CB 0.560 19.684 19.000 0.207 0.000 1.131 224 A HN 0.903 nan 8.150 nan 0.000 0.493 225 Y N -1.720 118.391 120.300 -0.315 0.000 2.609 225 Y HA 0.746 5.297 4.550 0.001 0.000 0.336 225 Y C -0.359 175.426 175.900 -0.193 0.000 1.129 225 Y CA -0.877 57.126 58.100 -0.161 0.000 1.040 225 Y CB 0.826 39.158 38.460 -0.214 0.000 1.310 225 Y HN 0.927 nan 8.280 nan 0.000 0.460 226 A N 2.154 125.056 122.820 0.137 0.000 2.311 226 A HA 0.712 5.032 4.320 0.001 0.000 0.334 226 A C -1.194 176.296 177.584 -0.156 0.000 1.139 226 A CA -0.864 51.123 52.037 -0.082 0.000 0.830 226 A CB 1.769 20.652 19.000 -0.196 0.000 1.234 226 A HN 0.821 nan 8.150 nan 0.000 0.483 227 Q N 0.843 120.472 119.800 -0.284 0.000 2.310 227 Q HA 0.590 4.930 4.340 0.001 0.000 0.270 227 Q C -2.077 173.710 176.000 -0.355 0.000 1.025 227 Q CA -0.351 55.382 55.803 -0.117 0.000 0.772 227 Q CB 1.074 29.953 28.738 0.235 0.000 1.253 227 Q HN 0.596 nan 8.270 nan 0.000 0.450 228 F N 2.260 122.298 119.950 0.146 0.000 2.443 228 F HA 0.428 4.956 4.527 0.001 0.000 0.335 228 F C 0.459 176.394 175.800 0.225 0.000 1.104 228 F CA -0.866 57.194 58.000 0.099 0.000 1.013 228 F CB 1.367 40.323 39.000 -0.073 0.000 1.136 228 F HN 0.426 nan 8.300 nan 0.000 0.470 229 N N 1.912 120.823 118.700 0.352 0.000 2.479 229 N HA 0.219 4.960 4.740 0.001 0.000 0.261 229 N C -0.918 174.764 175.510 0.287 0.000 0.979 229 N CA -0.307 52.919 53.050 0.294 0.000 0.930 229 N CB 1.145 39.753 38.487 0.201 0.000 1.172 229 N HN 0.567 nan 8.380 nan 0.000 0.499 230 D N 1.326 121.920 120.400 0.323 0.000 2.402 230 D HA 0.122 4.763 4.640 0.001 0.000 0.216 230 D C 1.250 177.672 176.300 0.202 0.000 1.128 230 D CA 0.134 54.301 54.000 0.278 0.000 0.833 230 D CB 0.578 41.602 40.800 0.374 0.000 0.971 230 D HN 0.474 nan 8.370 nan 0.000 0.503 231 T N 0.665 115.320 114.554 0.169 0.000 2.624 231 T HA -0.260 4.091 4.350 0.001 0.000 0.266 231 T C 1.268 176.028 174.700 0.100 0.000 1.050 231 T CA 1.506 63.678 62.100 0.119 0.000 1.163 231 T CB -0.135 68.792 68.868 0.098 0.000 0.861 231 T HN 0.335 nan 8.240 nan 0.000 0.443 232 E N 0.208 120.467 120.200 0.098 0.000 2.465 232 E HA 0.211 4.561 4.350 0.001 0.000 0.195 232 E C -0.499 176.151 176.600 0.084 0.000 1.028 232 E CA -0.269 56.178 56.400 0.078 0.000 0.899 232 E CB 0.566 30.304 29.700 0.065 0.000 1.032 232 E HN 0.194 nan 8.360 nan 0.000 0.468 233 V N 3.565 123.544 119.914 0.107 0.000 2.455 233 V HA 0.116 4.236 4.120 0.001 0.000 0.273 233 V C -2.004 174.149 176.094 0.097 0.000 1.045 233 V CA -1.684 60.682 62.300 0.109 0.000 0.976 233 V CB 0.483 32.390 31.823 0.139 0.000 0.993 233 V HN 0.057 nan 8.190 nan 0.000 0.475 234 P HA 0.221 nan 4.420 nan 0.000 0.270 234 P C -0.905 176.435 177.300 0.067 0.000 1.223 234 P CA -0.268 62.870 63.100 0.064 0.000 0.785 234 P CB 0.486 32.221 31.700 0.059 0.000 0.923 235 L N 2.039 123.280 121.223 0.030 0.000 2.317 235 L HA 0.446 4.787 4.340 0.001 0.000 0.281 235 L C 0.184 177.013 176.870 -0.070 0.000 1.024 235 L CA -0.658 54.183 54.840 0.003 0.000 0.810 235 L CB 1.019 43.076 42.059 -0.004 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.121 122.601 120.570 -0.149 0.000 2.428 236 I HA 0.306 4.476 4.170 0.001 0.000 0.289 236 I C -0.350 175.619 176.117 -0.247 0.000 1.019 236 I CA 0.234 61.348 61.300 -0.309 0.000 1.351 236 I CB 0.662 38.227 38.000 -0.725 0.000 1.412 236 I HN 0.612 nan 8.210 nan 0.000 0.513 237 E N 7.124 127.198 120.200 -0.210 0.000 2.248 237 E HA 0.523 4.874 4.350 0.001 0.000 0.267 237 E C -1.796 174.735 176.600 -0.115 0.000 0.877 237 E CA -0.585 55.690 56.400 -0.207 0.000 0.759 237 E CB 2.115 31.726 29.700 -0.149 0.000 1.182 237 E HN 0.576 nan 8.360 nan 0.000 0.418 238 Y N -1.775 118.435 120.300 -0.150 0.000 2.609 238 Y HA 0.547 5.098 4.550 0.001 0.000 0.336 238 Y C -0.774 175.058 175.900 -0.114 0.000 1.129 238 Y CA -1.242 56.779 58.100 -0.133 0.000 1.040 238 Y CB 0.852 39.238 38.460 -0.124 0.000 1.310 238 Y HN 0.205 nan 8.280 nan 0.000 0.460 239 S N 1.836 117.545 115.700 0.015 0.000 2.584 239 S HA 0.528 4.999 4.470 0.001 0.000 0.273 239 S C -1.446 173.027 174.600 -0.210 0.000 1.311 239 S CA -0.404 57.663 58.200 -0.222 0.000 1.034 239 S CB 0.661 63.588 63.200 -0.455 0.000 0.939 239 S HN 0.535 nan 8.310 nan 0.000 0.513 240 F N 1.881 121.567 119.950 -0.439 0.000 2.507 240 F HA 0.443 4.971 4.527 0.001 0.000 0.328 240 F C -0.316 175.218 175.800 -0.442 0.000 1.136 240 F CA -0.955 56.877 58.000 -0.278 0.000 0.930 240 F CB 0.871 39.833 39.000 -0.064 0.000 1.166 240 F HN 0.647 nan 8.300 nan 0.000 0.436 241 Y N 2.677 122.740 120.300 -0.394 0.000 2.397 241 Y HA 0.137 4.688 4.550 0.001 0.000 0.292 241 Y C 1.715 177.521 175.900 -0.156 0.000 1.115 241 Y CA 1.138 59.107 58.100 -0.217 0.000 1.208 241 Y CB -0.468 37.864 38.460 -0.213 0.000 1.046 241 Y HN 0.743 nan 8.280 nan 0.000 0.552 242 S N -0.398 115.172 115.700 -0.218 0.000 3.569 242 S HA -0.215 4.256 4.470 0.001 0.000 0.635 242 S C -0.584 174.048 174.600 0.054 0.000 2.396 242 S CA 0.205 58.437 58.200 0.052 0.000 2.612 242 S CB -1.183 62.154 63.200 0.227 0.000 0.331 242 S HN 0.447 nan 8.310 nan 0.000 1.764 243 D N 1.521 121.977 120.400 0.092 0.000 2.368 243 D HA 0.159 4.800 4.640 0.001 0.000 0.240 243 D C 1.396 177.726 176.300 0.050 0.000 1.169 243 D CA 0.363 54.402 54.000 0.065 0.000 0.906 243 D CB 0.214 41.055 40.800 0.068 0.000 1.187 243 D HN 0.631 nan 8.370 nan 0.000 0.435 244 E N 0.444 120.663 120.200 0.033 0.000 2.171 244 E HA -0.236 4.115 4.350 0.001 0.000 0.197 244 E C 1.569 178.183 176.600 0.023 0.000 0.997 244 E CA 1.400 57.812 56.400 0.019 0.000 0.810 244 E CB 0.130 29.835 29.700 0.009 0.000 0.738 244 E HN 0.441 nan 8.360 nan 0.000 0.467 245 S N 0.196 115.915 115.700 0.032 0.000 2.442 245 S HA -0.149 4.321 4.470 0.001 0.000 0.236 245 S C 0.942 175.567 174.600 0.042 0.000 1.007 245 S CA 0.092 58.311 58.200 0.032 0.000 0.965 245 S CB -0.216 63.005 63.200 0.036 0.000 0.773 245 S HN 0.240 nan 8.310 nan 0.000 0.504 246 L N 2.524 123.780 121.223 0.056 0.000 2.385 246 L HA 0.291 4.632 4.340 0.001 0.000 0.281 246 L C 1.407 178.313 176.870 0.059 0.000 1.106 246 L CA 0.103 54.987 54.840 0.074 0.000 0.856 246 L CB 0.545 42.661 42.059 0.095 0.000 1.186 246 L HN 0.283 nan 8.230 nan 0.000 0.453 247 Q N 3.958 123.797 119.800 0.065 0.000 2.079 247 Q HA -0.100 4.241 4.340 0.001 0.000 0.200 247 Q C -0.502 175.428 176.000 -0.116 0.000 0.974 247 Q CA 1.412 57.205 55.803 -0.017 0.000 0.840 247 Q CB 0.117 28.870 28.738 0.025 0.000 0.898 247 Q HN 0.681 nan 8.270 nan 0.000 0.430 248 Y N 0.566 120.878 120.300 0.021 0.000 2.335 248 Y HA 0.385 4.936 4.550 0.001 0.000 0.338 248 Y C -2.039 173.867 175.900 0.011 0.000 0.977 248 Y CA -2.932 55.176 58.100 0.014 0.000 1.114 248 Y CB 1.400 39.860 38.460 0.001 0.000 1.182 248 Y HN 0.156 nan 8.280 nan 0.000 0.463 249 P HA 0.023 nan 4.420 nan 0.000 0.269 249 P C -0.783 176.519 177.300 0.003 0.000 1.215 249 P CA -0.472 62.633 63.100 0.008 0.000 0.780 249 P CB 0.711 32.354 31.700 -0.095 0.000 0.898 250 K N 1.057 121.443 120.400 -0.023 0.000 2.110 250 K HA 0.358 4.679 4.320 0.001 0.000 0.263 250 K C -0.760 175.794 176.600 -0.076 0.000 0.975 250 K CA -0.350 55.930 56.287 -0.011 0.000 0.895 250 K CB 0.600 33.127 32.500 0.046 0.000 1.060 250 K HN 0.314 nan 8.250 nan 0.000 0.448 251 T N 2.999 117.494 114.554 -0.099 0.000 2.756 251 T HA 0.227 4.577 4.350 0.001 0.000 0.290 251 T C -0.578 173.991 174.700 -0.218 0.000 0.985 251 T CA -0.599 61.406 62.100 -0.158 0.000 0.955 251 T CB 1.007 69.799 68.868 -0.127 0.000 0.930 251 T HN 0.299 nan 8.240 nan 0.000 0.451 252 V N 5.504 125.186 119.914 -0.387 0.000 2.546 252 V HA 0.423 4.543 4.120 0.001 0.000 0.284 252 V C 0.453 176.265 176.094 -0.469 0.000 1.050 252 V CA -0.479 61.538 62.300 -0.471 0.000 0.981 252 V CB 0.884 32.251 31.823 -0.760 0.000 0.990 252 V HN 0.710 nan 8.190 nan 0.000 0.474 253 R N 3.448 123.804 120.500 -0.240 0.000 2.476 253 R HA 0.715 5.056 4.340 0.001 0.000 0.305 253 R C -1.702 174.575 176.300 -0.040 0.000 0.965 253 R CA -0.585 55.421 56.100 -0.157 0.000 0.867 253 R CB 2.185 32.428 30.300 -0.095 0.000 1.176 253 R HN 0.508 nan 8.270 nan 0.000 0.447 254 V N 4.030 123.920 119.914 -0.039 0.000 2.531 254 V HA 0.333 4.453 4.120 0.001 0.000 0.301 254 V C -2.384 173.757 176.094 0.079 0.000 1.034 254 V CA -2.494 59.849 62.300 0.072 0.000 0.865 254 V CB 2.184 33.999 31.823 -0.013 0.000 0.995 254 V HN 0.607 nan 8.190 nan 0.000 0.424 255 P HA 0.171 nan 4.420 nan 0.000 0.265 255 P C -1.361 176.050 177.300 0.184 0.000 1.222 255 P CA 0.324 63.532 63.100 0.180 0.000 0.767 255 P CB -0.125 31.726 31.700 0.253 0.000 0.801 256 Y N 6.426 126.705 120.300 -0.036 0.000 2.307 256 Y HA 0.369 4.919 4.550 0.001 0.000 0.323 256 Y C -2.745 173.128 175.900 -0.046 0.000 1.100 256 Y CA -2.816 55.216 58.100 -0.114 0.000 1.140 256 Y CB 1.812 40.080 38.460 -0.320 0.000 1.159 256 Y HN 0.283 nan 8.280 nan 0.000 0.436 257 P HA 0.242 nan 4.420 nan 0.000 0.286 257 P C -0.894 176.434 177.300 0.048 0.000 1.321 257 P CA -0.179 62.950 63.100 0.048 0.000 0.790 257 P CB 1.339 33.056 31.700 0.028 0.000 0.897 258 K N 2.118 122.633 120.400 0.192 0.000 2.120 258 K HA 0.481 4.802 4.320 0.001 0.000 0.245 258 K C 0.604 177.296 176.600 0.153 0.000 1.024 258 K CA -0.680 55.742 56.287 0.225 0.000 0.906 258 K CB 0.503 33.159 32.500 0.260 0.000 1.051 258 K HN 0.457 nan 8.250 nan 0.000 0.491 259 A N 0.725 123.663 122.820 0.197 0.000 2.580 259 A HA 0.260 4.581 4.320 0.001 0.000 0.244 259 A C 1.199 178.822 177.584 0.065 0.000 1.045 259 A CA 1.049 53.194 52.037 0.181 0.000 0.761 259 A CB -1.198 18.005 19.000 0.337 0.000 0.962 259 A HN 0.905 nan 8.150 nan 0.000 0.512 260 G N 0.934 109.762 108.800 0.046 0.000 2.205 260 G HA2 0.096 4.057 3.960 0.001 0.000 0.261 260 G HA3 0.096 4.057 3.960 0.001 0.000 0.261 260 G C 0.696 175.607 174.900 0.018 0.000 0.980 260 G CA 0.808 45.908 45.100 -0.001 0.000 0.632 260 G HN 2.198 nan 8.290 nan 0.000 0.533 261 A N -0.339 122.508 122.820 0.045 0.000 2.259 261 A HA 0.742 5.063 4.320 0.001 0.000 0.278 261 A C 0.864 178.477 177.584 0.049 0.000 1.107 261 A CA 0.314 52.381 52.037 0.050 0.000 0.828 261 A CB 0.665 19.708 19.000 0.072 0.000 1.111 261 A HN 1.160 nan 8.150 nan 0.000 0.498 262 V N 2.321 122.265 119.914 0.050 0.000 2.529 262 V HA 0.033 4.154 4.120 0.001 0.000 0.292 262 V C 0.323 176.459 176.094 0.070 0.000 1.028 262 V CA -0.044 62.287 62.300 0.052 0.000 1.074 262 V CB -0.050 31.804 31.823 0.053 0.000 0.958 262 V HN 0.802 nan 8.190 nan 0.000 0.481 263 N N 6.034 124.775 118.700 0.069 0.000 2.489 263 N HA 0.502 5.242 4.740 0.001 0.000 0.284 263 N C -2.373 173.219 175.510 0.137 0.000 1.158 263 N CA -1.497 51.616 53.050 0.105 0.000 0.965 263 N CB 1.325 39.867 38.487 0.091 0.000 1.195 263 N HN 0.401 nan 8.380 nan 0.000 0.506 264 P HA 0.128 nan 4.420 nan 0.000 0.274 264 P C -0.510 176.946 177.300 0.260 0.000 1.237 264 P CA -0.170 63.084 63.100 0.257 0.000 0.793 264 P CB 0.471 32.368 31.700 0.329 0.000 0.977 265 T N -1.987 112.700 114.554 0.222 0.000 2.952 265 T HA 0.606 4.957 4.350 0.001 0.000 0.286 265 T C -0.282 174.542 174.700 0.207 0.000 1.024 265 T CA -0.847 61.343 62.100 0.149 0.000 1.029 265 T CB 1.488 70.410 68.868 0.090 0.000 1.094 265 T HN 0.360 nan 8.240 nan 0.000 0.515 266 V N 0.248 120.257 119.914 0.159 0.000 2.925 266 V HA 0.765 4.885 4.120 0.001 0.000 0.311 266 V C -1.630 174.545 176.094 0.135 0.000 1.104 266 V CA -0.862 61.497 62.300 0.098 0.000 0.954 266 V CB 2.116 34.024 31.823 0.141 0.000 1.022 266 V HN 1.059 nan 8.190 nan 0.000 0.427 267 K N 4.215 124.630 120.400 0.024 0.000 2.482 267 K HA 0.592 4.913 4.320 0.001 0.000 0.257 267 K C -1.959 174.561 176.600 -0.133 0.000 0.969 267 K CA -0.507 55.767 56.287 -0.022 0.000 0.842 267 K CB 2.849 35.319 32.500 -0.051 0.000 1.359 267 K HN 0.553 nan 8.250 nan 0.000 0.441 268 F N 1.987 121.631 119.950 -0.511 0.000 2.540 268 F HA 0.582 5.110 4.527 0.001 0.000 0.317 268 F C -1.525 173.694 175.800 -0.969 0.000 1.104 268 F CA -0.693 56.982 58.000 -0.541 0.000 0.913 268 F CB 0.907 39.717 39.000 -0.315 0.000 1.170 268 F HN 0.393 nan 8.300 nan 0.000 0.450 269 F N 3.808 123.010 119.950 -1.246 0.000 2.603 269 F HA 0.783 5.311 4.527 0.001 0.000 0.317 269 F C -0.980 174.159 175.800 -1.103 0.000 1.066 269 F CA -1.206 56.160 58.000 -1.057 0.000 0.941 269 F CB 2.129 40.385 39.000 -1.241 0.000 1.291 269 F HN 0.141 nan 8.300 nan 0.000 0.472 270 V N 2.297 121.999 119.914 -0.353 0.000 2.623 270 V HA 0.618 4.738 4.120 0.001 0.000 0.304 270 V C -1.254 174.938 176.094 0.164 0.000 1.054 270 V CA -0.808 61.376 62.300 -0.194 0.000 0.882 270 V CB 1.997 33.524 31.823 -0.494 0.000 1.002 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 4.276 124.357 119.914 0.279 0.000 2.680 271 V HA 0.599 4.720 4.120 0.001 0.000 0.309 271 V C -0.469 175.860 176.094 0.391 0.000 1.052 271 V CA -0.599 61.890 62.300 0.316 0.000 0.908 271 V CB 2.179 34.135 31.823 0.221 0.000 1.001 271 V HN 0.924 nan 8.190 nan 0.000 0.431 272 N N 3.372 122.271 118.700 0.332 0.000 2.408 272 N HA 0.150 4.890 4.740 0.001 0.000 0.257 272 N C 0.978 176.503 175.510 0.025 0.000 1.064 272 N CA 0.587 53.729 53.050 0.154 0.000 0.952 272 N CB 1.745 40.287 38.487 0.092 0.000 1.093 272 N HN 0.920 nan 8.380 nan 0.000 0.490 273 T N -0.439 114.114 114.554 -0.001 0.000 3.100 273 T HA 0.066 4.416 4.350 0.001 0.000 0.253 273 T C 0.636 175.289 174.700 -0.078 0.000 1.118 273 T CA 0.436 62.533 62.100 -0.005 0.000 1.058 273 T CB 0.200 69.172 68.868 0.173 0.000 0.953 273 T HN 0.263 nan 8.240 nan 0.000 0.515 274 D N 2.115 122.445 120.400 -0.117 0.000 2.323 274 D HA 0.045 4.685 4.640 0.001 0.000 0.209 274 D C 1.323 177.563 176.300 -0.100 0.000 0.973 274 D CA 0.747 54.677 54.000 -0.116 0.000 0.874 274 D CB 0.167 40.877 40.800 -0.149 0.000 0.930 274 D HN 0.636 nan 8.370 nan 0.000 0.521 275 S N 0.004 115.649 115.700 -0.092 0.000 2.526 275 S HA 0.302 4.773 4.470 0.001 0.000 0.245 275 S C 0.397 174.948 174.600 -0.082 0.000 1.103 275 S CA -0.577 57.588 58.200 -0.059 0.000 1.095 275 S CB -0.236 62.957 63.200 -0.011 0.000 0.826 275 S HN -0.006 nan 8.310 nan 0.000 0.468 276 L N 1.952 123.057 121.223 -0.197 0.000 2.371 276 L HA 0.505 4.845 4.340 0.001 0.000 0.272 276 L C 0.502 177.255 176.870 -0.195 0.000 1.124 276 L CA -0.275 54.374 54.840 -0.318 0.000 0.816 276 L CB 1.396 42.963 42.059 -0.819 0.000 1.129 276 L HN 0.340 nan 8.230 nan 0.000 0.448 277 S N 0.518 116.216 115.700 -0.004 0.000 2.473 277 S HA 0.260 4.731 4.470 0.001 0.000 0.307 277 S C 0.691 175.479 174.600 0.315 0.000 1.094 277 S CA -0.655 57.633 58.200 0.148 0.000 1.070 277 S CB 1.666 64.925 63.200 0.098 0.000 1.019 277 S HN 0.601 nan 8.310 nan 0.000 0.480 278 S N 3.128 119.033 115.700 0.341 0.000 2.607 278 S HA 0.011 4.482 4.470 0.001 0.000 0.224 278 S C 1.269 175.956 174.600 0.146 0.000 0.969 278 S CA 0.326 58.669 58.200 0.239 0.000 0.927 278 S CB 0.026 63.305 63.200 0.132 0.000 0.772 278 S HN 0.613 nan 8.310 nan 0.000 0.533 279 V N 0.048 120.042 119.914 0.132 0.000 3.212 279 V HA 0.148 4.269 4.120 0.001 0.000 0.244 279 V C 0.747 176.889 176.094 0.080 0.000 1.151 279 V CA 0.697 63.050 62.300 0.088 0.000 1.119 279 V CB 0.313 32.176 31.823 0.067 0.000 0.838 279 V HN 0.273 nan 8.190 nan 0.000 0.470 280 T N 0.817 115.427 114.554 0.093 0.000 2.885 280 T HA 0.400 4.751 4.350 0.001 0.000 0.285 280 T C -0.367 174.393 174.700 0.100 0.000 1.019 280 T CA -0.483 61.659 62.100 0.069 0.000 1.010 280 T CB 1.436 70.335 68.868 0.052 0.000 1.022 280 T HN 0.081 nan 8.240 nan 0.000 0.466 281 N N 1.785 120.526 118.700 0.069 0.000 2.492 281 N HA 0.356 5.096 4.740 0.001 0.000 0.262 281 N C 0.162 175.737 175.510 0.108 0.000 1.202 281 N CA -0.156 52.964 53.050 0.116 0.000 0.926 281 N CB 0.671 39.163 38.487 0.010 0.000 1.078 281 N HN 0.836 nan 8.380 nan 0.000 0.454 282 A N 1.887 124.789 122.820 0.138 0.000 2.531 282 A HA 0.182 4.502 4.320 0.001 0.000 0.236 282 A C 0.237 177.874 177.584 0.089 0.000 1.062 282 A CA 0.260 52.351 52.037 0.091 0.000 0.760 282 A CB -0.008 19.029 19.000 0.062 0.000 0.995 282 A HN 0.545 nan 8.150 nan 0.000 0.501 283 T N 2.787 117.397 114.554 0.094 0.000 2.756 283 T HA 0.418 4.769 4.350 0.001 0.000 0.290 283 T C 0.053 174.841 174.700 0.147 0.000 0.985 283 T CA -0.048 62.116 62.100 0.107 0.000 0.955 283 T CB 0.690 69.623 68.868 0.109 0.000 0.930 283 T HN 0.565 nan 8.240 nan 0.000 0.451 284 S N 3.740 119.524 115.700 0.139 0.000 2.525 284 S HA 0.465 4.936 4.470 0.001 0.000 0.278 284 S C 0.156 174.913 174.600 0.261 0.000 1.234 284 S CA -0.805 57.509 58.200 0.190 0.000 1.058 284 S CB 0.391 63.652 63.200 0.102 0.000 0.983 284 S HN 0.478 nan 8.310 nan 0.000 0.495 285 I N 3.160 123.903 120.570 0.288 0.000 2.331 285 I HA 0.295 4.466 4.170 0.001 0.000 0.292 285 I C 0.506 176.740 176.117 0.196 0.000 0.998 285 I CA -0.294 61.178 61.300 0.287 0.000 1.267 285 I CB 1.043 39.286 38.000 0.406 0.000 1.386 285 I HN 0.658 nan 8.210 nan 0.000 0.476 286 Q N 5.970 125.851 119.800 0.136 0.000 2.259 286 Q HA 0.534 4.874 4.340 0.001 0.000 0.249 286 Q C -1.126 174.817 176.000 -0.096 0.000 0.914 286 Q CA -0.459 55.232 55.803 -0.187 0.000 0.904 286 Q CB 1.559 30.151 28.738 -0.244 0.000 1.213 286 Q HN 0.558 nan 8.270 nan 0.000 0.428 287 I N 3.828 124.322 120.570 -0.126 0.000 2.382 287 I HA 0.209 4.380 4.170 0.001 0.000 0.285 287 I C 0.080 176.190 176.117 -0.012 0.000 1.007 287 I CA -0.706 60.594 61.300 0.000 0.000 1.142 287 I CB 1.647 39.690 38.000 0.071 0.000 1.289 287 I HN 0.687 nan 8.210 nan 0.000 0.453 288 T N 2.872 117.380 114.554 -0.078 0.000 2.904 288 T HA 0.650 5.001 4.350 0.001 0.000 0.290 288 T C 0.375 174.873 174.700 -0.337 0.000 1.018 288 T CA -0.760 61.234 62.100 -0.175 0.000 1.075 288 T CB 1.720 70.486 68.868 -0.170 0.000 0.986 288 T HN 0.576 nan 8.240 nan 0.000 0.523 289 A N 3.380 125.740 122.820 -0.766 0.000 2.346 289 A HA 0.593 4.914 4.320 0.001 0.000 0.252 289 A C -1.844 175.242 177.584 -0.829 0.000 1.089 289 A CA -1.615 49.529 52.037 -1.488 0.000 0.797 289 A CB -0.632 16.872 19.000 -2.494 0.000 1.047 289 A HN 0.821 nan 8.150 nan 0.000 0.494 290 P HA 0.144 nan 4.420 nan 0.000 0.270 290 P C 0.656 177.741 177.300 -0.359 0.000 1.223 290 P CA 0.551 63.417 63.100 -0.389 0.000 0.785 290 P CB 0.851 32.395 31.700 -0.260 0.000 0.923 291 A N 2.531 125.211 122.820 -0.234 0.000 1.940 291 A HA -0.185 4.136 4.320 0.001 0.000 0.219 291 A C 2.176 179.650 177.584 -0.184 0.000 1.176 291 A CA 2.261 54.182 52.037 -0.194 0.000 0.631 291 A CB -1.725 17.196 19.000 -0.133 0.000 0.814 291 A HN 0.675 nan 8.150 nan 0.000 0.446 292 S N -2.112 113.496 115.700 -0.153 0.000 2.507 292 S HA -0.056 4.415 4.470 0.001 0.000 0.235 292 S C 1.564 176.066 174.600 -0.163 0.000 0.988 292 S CA 1.616 59.737 58.200 -0.132 0.000 0.944 292 S CB -0.182 62.998 63.200 -0.034 0.000 0.762 292 S HN 0.349 nan 8.310 nan 0.000 0.526 293 M N 1.024 120.475 119.600 -0.249 0.000 2.691 293 M HA 0.488 4.969 4.480 0.001 0.000 0.261 293 M C 1.625 177.662 176.300 -0.437 0.000 1.227 293 M CA 0.755 55.840 55.300 -0.357 0.000 1.197 293 M CB -0.625 31.625 32.600 -0.583 0.000 1.294 293 M HN 0.235 nan 8.290 nan 0.000 0.508 294 L N 0.660 121.622 121.223 -0.435 0.000 2.353 294 L HA -0.139 4.201 4.340 0.001 0.000 0.220 294 L C 2.011 178.812 176.870 -0.115 0.000 1.133 294 L CA 0.743 55.420 54.840 -0.271 0.000 0.798 294 L CB -1.017 40.896 42.059 -0.243 0.000 0.922 294 L HN 0.386 nan 8.230 nan 0.000 0.445 295 I N -2.602 117.896 120.570 -0.121 0.000 2.700 295 I HA 0.056 4.227 4.170 0.001 0.000 0.261 295 I C 1.075 177.166 176.117 -0.042 0.000 1.219 295 I CA 0.815 62.067 61.300 -0.080 0.000 1.463 295 I CB -0.521 37.421 38.000 -0.097 0.000 1.092 295 I HN 0.117 nan 8.210 nan 0.000 0.452 296 G N -0.076 108.720 108.800 -0.007 0.000 2.561 296 G HA2 0.223 4.184 3.960 0.001 0.000 0.310 296 G HA3 0.223 4.184 3.960 0.001 0.000 0.310 296 G C -1.804 173.147 174.900 0.086 0.000 1.292 296 G CA -0.619 44.491 45.100 0.017 0.000 0.811 296 G HN 0.025 nan 8.290 nan 0.000 0.482 297 D N 1.331 121.730 120.400 -0.001 0.000 2.443 297 D HA 0.418 5.059 4.640 0.001 0.000 0.239 297 D C 0.386 176.630 176.300 -0.094 0.000 1.136 297 D CA 0.827 54.767 54.000 -0.100 0.000 0.879 297 D CB 0.423 41.131 40.800 -0.152 0.000 1.195 297 D HN 0.581 nan 8.370 nan 0.000 0.443 298 H N -1.006 117.915 119.070 -0.248 0.000 2.918 298 H HA 0.417 4.973 4.556 0.001 0.000 0.303 298 H C -1.439 173.738 175.328 -0.253 0.000 1.380 298 H CA -0.796 55.108 56.048 -0.239 0.000 1.134 298 H CB 0.352 30.118 29.762 0.007 0.000 1.842 298 H HN 0.308 nan 8.280 nan 0.000 0.533 299 Y N -0.031 120.512 120.300 0.405 0.000 2.581 299 Y HA 0.430 4.981 4.550 0.001 0.000 0.345 299 Y C -0.493 175.695 175.900 0.481 0.000 1.036 299 Y CA -1.150 57.193 58.100 0.405 0.000 1.042 299 Y CB 1.951 40.490 38.460 0.132 0.000 1.289 299 Y HN 0.497 nan 8.280 nan 0.000 0.471 300 L N 2.768 124.342 121.223 0.585 0.000 2.275 300 L HA 0.467 4.808 4.340 0.001 0.000 0.288 300 L C 0.331 177.257 176.870 0.094 0.000 1.046 300 L CA -0.331 54.501 54.840 -0.014 0.000 0.805 300 L CB 0.596 42.574 42.059 -0.135 0.000 1.193 300 L HN 0.985 nan 8.230 nan 0.000 0.426 301 C N 1.169 120.375 119.300 -0.156 0.000 3.403 301 C HA 0.519 4.980 4.460 0.001 0.000 0.317 301 C C 0.181 175.009 174.990 -0.271 0.000 1.346 301 C CA -0.351 58.500 59.018 -0.278 0.000 1.743 301 C CB -0.532 27.105 27.740 -0.172 0.000 2.308 301 C HN 0.847 nan 8.230 nan 0.000 0.675 302 D N 0.225 120.500 120.400 -0.209 0.000 2.803 302 D HA 0.464 5.105 4.640 0.001 0.000 0.218 302 D C -1.878 174.162 176.300 -0.432 0.000 1.245 302 D CA 0.107 54.009 54.000 -0.165 0.000 0.821 302 D CB 2.830 43.525 40.800 -0.176 0.000 1.626 302 D HN 0.052 nan 8.370 nan 0.000 0.487 303 V N 2.414 122.001 119.914 -0.545 0.000 2.569 303 V HA 0.526 4.647 4.120 0.001 0.000 0.301 303 V C -0.503 175.203 176.094 -0.647 0.000 1.044 303 V CA -0.388 61.352 62.300 -0.932 0.000 0.874 303 V CB 1.959 32.708 31.823 -1.790 0.000 1.002 303 V HN 0.643 nan 8.190 nan 0.000 0.424 304 T N 3.624 117.878 114.554 -0.499 0.000 3.011 304 T HA 0.366 4.716 4.350 0.001 0.000 0.303 304 T C -0.878 173.672 174.700 -0.250 0.000 0.997 304 T CA -0.456 61.507 62.100 -0.228 0.000 1.007 304 T CB 0.856 69.668 68.868 -0.093 0.000 1.017 304 T HN 0.516 nan 8.240 nan 0.000 0.443 305 W N 1.987 123.222 121.300 -0.108 0.000 2.190 305 W HA 0.488 5.149 4.660 0.001 0.000 0.330 305 W C 1.126 177.517 176.519 -0.214 0.000 1.299 305 W CA -0.311 56.961 57.345 -0.122 0.000 1.215 305 W CB 0.614 30.088 29.460 0.022 0.000 1.147 305 W HN 0.834 nan 8.180 nan 0.000 0.563 306 A N 1.724 124.438 122.820 -0.177 0.000 1.963 306 A HA 0.223 4.544 4.320 0.001 0.000 0.207 306 A C 0.845 178.398 177.584 -0.051 0.000 1.243 306 A CA 1.470 53.189 52.037 -0.530 0.000 0.728 306 A CB -0.309 17.889 19.000 -1.336 0.000 0.895 306 A HN 0.537 nan 8.150 nan 0.000 0.467 307 T N -5.590 109.031 114.554 0.113 0.000 2.618 307 T HA 0.326 4.677 4.350 0.001 0.000 0.293 307 T C 0.130 174.995 174.700 0.274 0.000 1.093 307 T CA -0.335 61.872 62.100 0.178 0.000 1.061 307 T CB 0.600 69.558 68.868 0.150 0.000 1.498 307 T HN -0.057 nan 8.240 nan 0.000 0.494 308 Q N 0.352 120.281 119.800 0.215 0.000 2.224 308 Q HA 0.041 4.382 4.340 0.001 0.000 0.203 308 Q C 0.810 177.068 176.000 0.429 0.000 0.970 308 Q CA 1.445 57.381 55.803 0.221 0.000 0.865 308 Q CB -0.096 28.733 28.738 0.152 0.000 0.922 308 Q HN 0.817 nan 8.270 nan 0.000 0.445 309 E N -0.120 120.335 120.200 0.425 0.000 2.812 309 E HA 0.205 4.555 4.350 0.001 0.000 0.211 309 E C -0.242 176.659 176.600 0.502 0.000 0.986 309 E CA -0.171 56.513 56.400 0.472 0.000 1.119 309 E CB 1.002 30.879 29.700 0.296 0.000 1.046 309 E HN -0.037 nan 8.360 nan 0.000 0.474 310 R N 1.598 122.404 120.500 0.509 0.000 2.538 310 R HA 0.529 4.870 4.340 0.001 0.000 0.292 310 R C -1.757 174.574 176.300 0.052 0.000 1.008 310 R CA -0.470 55.797 56.100 0.278 0.000 0.896 310 R CB 1.325 31.672 30.300 0.079 0.000 1.187 310 R HN 0.084 nan 8.270 nan 0.000 0.440 311 I N 3.059 123.485 120.570 -0.241 0.000 2.608 311 I HA 0.437 4.608 4.170 0.001 0.000 0.295 311 I C -0.950 174.840 176.117 -0.546 0.000 1.049 311 I CA -0.488 60.389 61.300 -0.704 0.000 1.063 311 I CB 2.239 39.383 38.000 -1.426 0.000 1.248 311 I HN 0.839 nan 8.210 nan 0.000 0.424 312 S N 7.628 122.991 115.700 -0.561 0.000 2.501 312 S HA 0.812 5.282 4.470 0.001 0.000 0.301 312 S C -1.062 173.214 174.600 -0.541 0.000 1.096 312 S CA -0.685 57.265 58.200 -0.417 0.000 1.063 312 S CB 1.597 64.655 63.200 -0.237 0.000 1.042 312 S HN 0.552 nan 8.310 nan 0.000 0.494 313 L N 1.801 122.720 121.223 -0.505 0.000 2.401 313 L HA 0.578 4.919 4.340 0.001 0.000 0.266 313 L C -0.499 176.068 176.870 -0.504 0.000 0.991 313 L CA -0.765 53.662 54.840 -0.687 0.000 0.818 313 L CB 2.208 43.710 42.059 -0.928 0.000 1.321 313 L HN 0.668 nan 8.230 nan 0.000 0.413 314 Q N 1.274 120.745 119.800 -0.548 0.000 2.337 314 Q HA 0.481 4.821 4.340 0.001 0.000 0.266 314 Q C -1.791 173.969 176.000 -0.400 0.000 1.023 314 Q CA -0.584 55.026 55.803 -0.322 0.000 0.829 314 Q CB 2.575 31.183 28.738 -0.217 0.000 1.306 314 Q HN 0.423 nan 8.270 nan 0.000 0.449 315 W N 2.312 123.570 121.300 -0.070 0.000 2.689 315 W HA 0.617 5.278 4.660 0.001 0.000 0.340 315 W C -0.934 175.622 176.519 0.062 0.000 1.060 315 W CA -0.664 56.689 57.345 0.013 0.000 1.218 315 W CB 1.118 30.559 29.460 -0.030 0.000 1.410 315 W HN 0.379 nan 8.180 nan 0.000 0.528 316 L N 2.854 124.308 121.223 0.384 0.000 2.385 316 L HA 0.581 4.921 4.340 0.001 0.000 0.273 316 L C -0.086 176.984 176.870 0.334 0.000 0.990 316 L CA -1.160 53.868 54.840 0.313 0.000 0.821 316 L CB 1.289 43.513 42.059 0.275 0.000 1.279 316 L HN 0.412 nan 8.230 nan 0.000 0.412 317 R N 2.465 123.123 120.500 0.262 0.000 2.679 317 R HA 0.227 4.567 4.340 0.001 0.000 0.269 317 R C 0.988 177.352 176.300 0.107 0.000 1.076 317 R CA -0.187 56.011 56.100 0.163 0.000 1.160 317 R CB 0.551 30.925 30.300 0.124 0.000 1.054 317 R HN 0.654 nan 8.270 nan 0.000 0.507 318 R N 1.170 121.644 120.500 -0.044 0.000 2.127 318 R HA -0.074 4.267 4.340 0.001 0.000 0.238 318 R C 0.365 176.715 176.300 0.085 0.000 1.134 318 R CA 1.122 57.181 56.100 -0.068 0.000 0.975 318 R CB 0.177 30.388 30.300 -0.149 0.000 0.865 318 R HN 0.371 nan 8.270 nan 0.000 0.447 319 I N 2.878 123.485 120.570 0.062 0.000 2.278 319 I HA 0.010 4.181 4.170 0.001 0.000 0.296 319 I C 0.220 176.398 176.117 0.102 0.000 1.121 319 I CA 0.330 61.669 61.300 0.066 0.000 1.267 319 I CB 0.846 38.871 38.000 0.042 0.000 1.447 319 I HN 0.256 nan 8.210 nan 0.000 0.509 320 Q N 4.411 124.272 119.800 0.102 0.000 2.294 320 Q HA -0.081 4.260 4.340 0.001 0.000 0.207 320 Q C 0.480 176.559 176.000 0.132 0.000 0.887 320 Q CA 0.165 56.041 55.803 0.121 0.000 0.987 320 Q CB -0.400 28.372 28.738 0.057 0.000 1.101 320 Q HN 0.622 nan 8.270 nan 0.000 0.447 321 N N -0.856 117.924 118.700 0.134 0.000 2.282 321 N HA -0.011 4.730 4.740 0.001 0.000 0.240 321 N C -1.207 174.407 175.510 0.174 0.000 1.182 321 N CA -0.301 52.818 53.050 0.115 0.000 0.874 321 N CB 0.305 38.836 38.487 0.073 0.000 1.126 321 N HN 0.176 nan 8.380 nan 0.000 0.516 322 Y N -0.020 120.307 120.300 0.045 0.000 2.362 322 Y HA 0.577 5.128 4.550 0.001 0.000 0.326 322 Y C -1.364 174.572 175.900 0.060 0.000 1.083 322 Y CA -0.864 57.261 58.100 0.041 0.000 1.073 322 Y CB 1.668 40.144 38.460 0.027 0.000 1.211 322 Y HN 0.025 nan 8.280 nan 0.000 0.433 323 S N 4.323 119.913 115.700 -0.184 0.000 2.542 323 S HA 0.902 5.373 4.470 0.001 0.000 0.293 323 S C -1.978 172.532 174.600 -0.150 0.000 1.089 323 S CA -0.496 57.675 58.200 -0.050 0.000 0.961 323 S CB 1.397 64.583 63.200 -0.023 0.000 1.062 323 S HN 0.466 nan 8.310 nan 0.000 0.483 324 V N 4.791 124.716 119.914 0.018 0.000 2.577 324 V HA 0.512 4.633 4.120 0.001 0.000 0.303 324 V C -0.340 175.798 176.094 0.073 0.000 1.042 324 V CA -0.633 61.682 62.300 0.025 0.000 0.872 324 V CB 1.725 33.598 31.823 0.083 0.000 0.998 324 V HN 0.951 nan 8.190 nan 0.000 0.423 325 M N 3.805 123.418 119.600 0.021 0.000 2.238 325 M HA 0.555 5.036 4.480 0.001 0.000 0.350 325 M C -1.347 174.967 176.300 0.024 0.000 1.138 325 M CA -0.246 55.044 55.300 -0.016 0.000 1.040 325 M CB 1.232 33.777 32.600 -0.092 0.000 1.639 325 M HN 0.600 nan 8.290 nan 0.000 0.451 326 D N 4.957 125.359 120.400 0.005 0.000 2.248 326 D HA 0.549 5.189 4.640 0.001 0.000 0.246 326 D C -1.037 175.232 176.300 -0.053 0.000 1.027 326 D CA -0.072 53.930 54.000 0.002 0.000 0.853 326 D CB 1.868 42.691 40.800 0.037 0.000 1.243 326 D HN 0.598 nan 8.370 nan 0.000 0.462 327 I N 2.267 122.829 120.570 -0.012 0.000 2.410 327 I HA 0.307 4.478 4.170 0.001 0.000 0.286 327 I C -0.613 175.500 176.117 -0.007 0.000 1.009 327 I CA -0.612 60.675 61.300 -0.023 0.000 1.111 327 I CB 1.347 39.394 38.000 0.079 0.000 1.262 327 I HN 0.168 nan 8.210 nan 0.000 0.443 328 c N 3.832 122.415 118.600 -0.029 0.000 2.417 328 c HA 0.547 5.118 4.570 0.001 0.000 0.324 328 c C -0.361 173.878 174.090 0.249 0.000 1.240 328 c CA -0.733 55.651 56.329 0.093 0.000 1.632 328 c CB 1.092 43.652 42.510 0.082 0.000 2.241 328 c HN 0.596 nan 8.230 nan 0.000 0.499 329 D N 0.414 120.952 120.400 0.231 0.000 2.256 329 D HA 0.362 5.003 4.640 0.001 0.000 0.246 329 D C -0.650 175.619 176.300 -0.053 0.000 1.042 329 D CA -0.199 53.898 54.000 0.162 0.000 0.841 329 D CB 0.834 41.669 40.800 0.059 0.000 1.223 329 D HN 0.568 nan 8.370 nan 0.000 0.470 330 Y N 1.580 121.512 120.300 -0.613 0.000 2.346 330 Y HA 0.227 4.778 4.550 0.001 0.000 0.330 330 Y C -0.193 175.407 175.900 -0.500 0.000 1.178 330 Y CA 0.006 57.391 58.100 -1.191 0.000 1.331 330 Y CB 0.828 38.410 38.460 -1.464 0.000 1.253 330 Y HN 0.195 nan 8.280 nan 0.000 0.529 331 D N 5.380 125.077 120.400 -1.172 0.000 2.441 331 D HA 0.128 4.769 4.640 0.001 0.000 0.231 331 D C 0.191 175.885 176.300 -1.010 0.000 1.073 331 D CA -0.151 53.389 54.000 -0.766 0.000 0.850 331 D CB 0.943 41.465 40.800 -0.464 0.000 1.062 331 D HN 0.855 nan 8.370 nan 0.000 0.524 332 E N 1.184 121.027 120.200 -0.595 0.000 2.153 332 E HA -0.128 4.223 4.350 0.001 0.000 0.194 332 E C 1.560 178.048 176.600 -0.187 0.000 0.988 332 E CA 0.884 57.119 56.400 -0.275 0.000 0.811 332 E CB 0.343 30.041 29.700 -0.003 0.000 0.746 332 E HN 0.363 nan 8.360 nan 0.000 0.466 333 S N 0.912 116.500 115.700 -0.186 0.000 2.349 333 S HA -0.153 4.318 4.470 0.001 0.000 0.216 333 S C 2.216 176.748 174.600 -0.112 0.000 1.033 333 S CA 1.540 59.673 58.200 -0.113 0.000 1.021 333 S CB -0.280 62.862 63.200 -0.097 0.000 0.968 333 S HN 0.383 nan 8.310 nan 0.000 0.426 334 S N 0.490 116.096 115.700 -0.156 0.000 2.527 334 S HA 0.290 4.761 4.470 0.001 0.000 0.222 334 S C 1.555 176.082 174.600 -0.122 0.000 0.985 334 S CA 0.734 58.864 58.200 -0.116 0.000 0.921 334 S CB -0.336 62.799 63.200 -0.109 0.000 0.772 334 S HN 0.918 nan 8.310 nan 0.000 0.529 335 G N 1.741 110.391 108.800 -0.251 0.000 2.168 335 G HA2 -0.251 3.710 3.960 0.001 0.000 0.257 335 G HA3 -0.251 3.710 3.960 0.001 0.000 0.257 335 G C 0.137 174.979 174.900 -0.097 0.000 0.997 335 G CA 0.312 45.314 45.100 -0.163 0.000 0.708 335 G HN 0.530 nan 8.290 nan 0.000 0.520 336 R N -1.622 118.728 120.500 -0.251 0.000 2.782 336 R HA 0.653 4.994 4.340 0.001 0.000 0.258 336 R C -0.697 175.466 176.300 -0.229 0.000 1.055 336 R CA -0.958 55.093 56.100 -0.083 0.000 1.065 336 R CB 0.622 30.904 30.300 -0.031 0.000 1.172 336 R HN 0.186 nan 8.270 nan 0.000 0.510 337 W N 0.572 121.878 121.300 0.011 0.000 2.417 337 W HA 0.394 5.055 4.660 0.001 0.000 0.315 337 W C -0.289 176.213 176.519 -0.029 0.000 1.045 337 W CA -0.383 56.964 57.345 0.003 0.000 1.221 337 W CB 1.014 30.481 29.460 0.011 0.000 1.309 337 W HN 0.408 nan 8.180 nan 0.000 0.453 338 N N 2.144 120.920 118.700 0.128 0.000 2.362 338 N HA 0.571 5.312 4.740 0.001 0.000 0.298 338 N C -1.474 174.078 175.510 0.072 0.000 1.048 338 N CA -0.670 52.418 53.050 0.064 0.000 0.858 338 N CB 1.299 39.785 38.487 -0.001 0.000 1.218 338 N HN 0.186 nan 8.380 nan 0.000 0.488 339 c N 2.783 121.407 118.600 0.040 0.000 2.409 339 c HA 0.360 4.931 4.570 0.001 0.000 0.297 339 c C 0.267 174.357 174.090 0.001 0.000 1.083 339 c CA -1.120 55.223 56.329 0.024 0.000 1.515 339 c CB -1.372 41.143 42.510 0.009 0.000 1.869 339 c HN 0.632 nan 8.230 nan 0.000 0.413 340 L N 2.099 123.325 121.223 0.005 0.000 2.559 340 L HA 0.002 4.343 4.340 0.001 0.000 0.274 340 L C 1.682 178.539 176.870 -0.022 0.000 1.205 340 L CA 0.304 55.140 54.840 -0.008 0.000 0.907 340 L CB 0.388 42.448 42.059 0.000 0.000 1.153 340 L HN 0.593 nan 8.230 nan 0.000 0.490 341 V N 4.264 124.158 119.914 -0.033 0.000 2.594 341 V HA -0.273 3.847 4.120 0.001 0.000 0.253 341 V C 2.266 178.322 176.094 -0.063 0.000 1.069 341 V CA 2.156 64.427 62.300 -0.048 0.000 1.082 341 V CB -0.043 31.753 31.823 -0.046 0.000 0.680 341 V HN 1.006 nan 8.190 nan 0.000 0.469 342 A N -0.207 122.583 122.820 -0.049 0.000 2.121 342 A HA -0.078 4.242 4.320 0.001 0.000 0.218 342 A C 2.095 179.632 177.584 -0.078 0.000 1.154 342 A CA 1.171 53.174 52.037 -0.057 0.000 0.679 342 A CB -0.374 18.608 19.000 -0.030 0.000 0.795 342 A HN 0.618 nan 8.150 nan 0.000 0.458 343 R N -0.595 119.871 120.500 -0.057 0.000 2.515 343 R HA 0.183 4.524 4.340 0.001 0.000 0.294 343 R C 0.121 176.355 176.300 -0.109 0.000 1.021 343 R CA -0.153 55.932 56.100 -0.026 0.000 1.081 343 R CB 0.191 30.532 30.300 0.068 0.000 1.263 343 R HN 0.545 nan 8.270 nan 0.000 0.557 344 Q N 0.711 120.381 119.800 -0.218 0.000 2.235 344 Q HA 0.159 4.500 4.340 0.001 0.000 0.250 344 Q C -0.851 174.881 176.000 -0.447 0.000 0.909 344 Q CA -0.220 55.464 55.803 -0.200 0.000 0.910 344 Q CB 0.969 29.639 28.738 -0.113 0.000 1.223 344 Q HN 0.255 nan 8.270 nan 0.000 0.432 345 H N 3.659 122.724 119.070 -0.009 0.000 2.658 345 H HA 0.382 4.938 4.556 0.001 0.000 0.337 345 H C -0.689 174.604 175.328 -0.059 0.000 1.009 345 H CA -0.431 55.610 56.048 -0.011 0.000 1.231 345 H CB 0.993 30.736 29.762 -0.032 0.000 1.508 345 H HN 0.557 nan 8.280 nan 0.000 0.517 346 I N 2.003 122.579 120.570 0.009 0.000 2.428 346 I HA 0.194 4.365 4.170 0.001 0.000 0.296 346 I C 0.306 176.359 176.117 -0.106 0.000 0.985 346 I CA -0.275 60.947 61.300 -0.131 0.000 1.260 346 I CB 1.654 39.540 38.000 -0.191 0.000 1.389 346 I HN 0.498 nan 8.210 nan 0.000 0.484 347 E N 7.706 127.781 120.200 -0.209 0.000 2.265 347 E HA 0.557 4.908 4.350 0.001 0.000 0.262 347 E C -1.280 175.205 176.600 -0.191 0.000 0.889 347 E CA -0.694 55.635 56.400 -0.118 0.000 0.789 347 E CB 1.420 31.089 29.700 -0.052 0.000 1.221 347 E HN 0.615 nan 8.360 nan 0.000 0.414 348 M N 1.338 120.868 119.600 -0.117 0.000 2.691 348 M HA 0.672 5.153 4.480 0.001 0.000 0.293 348 M C -1.065 175.227 176.300 -0.013 0.000 1.259 348 M CA -0.983 54.277 55.300 -0.066 0.000 0.827 348 M CB 2.314 34.900 32.600 -0.022 0.000 1.753 348 M HN 0.256 nan 8.290 nan 0.000 0.465 349 S N -0.541 115.161 115.700 0.003 0.000 2.547 349 S HA 0.568 5.039 4.470 0.001 0.000 0.281 349 S C 0.220 174.811 174.600 -0.015 0.000 1.118 349 S CA -0.009 58.180 58.200 -0.019 0.000 0.947 349 S CB 1.793 64.952 63.200 -0.068 0.000 1.053 349 S HN 0.918 nan 8.310 nan 0.000 0.482 350 T N -0.194 114.350 114.554 -0.016 0.000 3.014 350 T HA 0.060 4.411 4.350 0.001 0.000 0.250 350 T C 1.517 176.198 174.700 -0.033 0.000 1.060 350 T CA 0.904 62.997 62.100 -0.011 0.000 1.040 350 T CB -0.389 68.479 68.868 0.000 0.000 0.971 350 T HN 0.666 nan 8.240 nan 0.000 0.497 351 T N -1.879 112.647 114.554 -0.046 0.000 3.037 351 T HA 0.600 4.951 4.350 0.001 0.000 0.251 351 T C 1.155 175.682 174.700 -0.287 0.000 1.079 351 T CA 0.397 62.468 62.100 -0.049 0.000 1.067 351 T CB 0.341 69.264 68.868 0.092 0.000 0.948 351 T HN 0.621 nan 8.240 nan 0.000 0.496 352 G N 0.358 108.827 108.800 -0.553 0.000 2.696 352 G HA2 0.478 4.438 3.960 0.001 0.000 0.151 352 G HA3 0.478 4.438 3.960 0.001 0.000 0.151 352 G C -1.626 172.997 174.900 -0.462 0.000 1.197 352 G CA -0.542 44.012 45.100 -0.910 0.000 1.053 352 G HN 0.488 nan 8.290 nan 0.000 0.546 353 W N -0.164 120.877 121.300 -0.431 0.000 2.353 353 W HA 0.776 5.437 4.660 0.001 0.000 0.377 353 W C -0.434 176.033 176.519 -0.088 0.000 1.375 353 W CA -1.315 55.902 57.345 -0.213 0.000 1.503 353 W CB 0.652 29.950 29.460 -0.271 0.000 1.345 353 W HN 0.273 nan 8.180 nan 0.000 0.683 354 V N 2.850 122.834 119.914 0.116 0.000 2.407 354 V HA 0.696 4.816 4.120 0.001 0.000 0.278 354 V C 0.755 176.918 176.094 0.115 0.000 1.037 354 V CA 0.315 62.643 62.300 0.047 0.000 0.900 354 V CB 0.021 31.873 31.823 0.048 0.000 0.983 354 V HN 1.281 nan 8.190 nan 0.000 0.459 355 G N 5.060 113.885 108.800 0.042 0.000 2.829 355 G HA2 -0.198 3.763 3.960 0.001 0.000 0.628 355 G HA3 -0.198 3.763 3.960 0.001 0.000 0.628 355 G C 0.374 175.359 174.900 0.142 0.000 1.412 355 G CA 0.211 45.363 45.100 0.086 0.000 0.864 355 G HN 0.665 nan 8.290 nan 0.000 0.544 356 R N -0.688 119.888 120.500 0.126 0.000 2.070 356 R HA 0.054 4.395 4.340 0.001 0.000 0.233 356 R C 1.870 178.109 176.300 -0.101 0.000 1.137 356 R CA 2.281 58.409 56.100 0.047 0.000 0.945 356 R CB -0.115 30.234 30.300 0.081 0.000 0.845 356 R HN 0.493 nan 8.270 nan 0.000 0.430 357 F N -1.051 119.035 119.950 0.226 0.000 2.817 357 F HA 0.273 4.800 4.527 0.001 0.000 0.333 357 F C 0.160 175.977 175.800 0.029 0.000 1.085 357 F CA -0.523 57.544 58.000 0.112 0.000 1.170 357 F CB 0.811 39.872 39.000 0.102 0.000 1.066 357 F HN -0.094 nan 8.300 nan 0.000 0.564 358 R N -1.674 118.952 120.500 0.211 0.000 3.033 358 R HA 0.331 4.672 4.340 0.001 0.000 0.284 358 R C -3.390 172.963 176.300 0.088 0.000 0.997 358 R CA -1.768 54.389 56.100 0.095 0.000 0.851 358 R CB -0.151 30.153 30.300 0.007 0.000 1.297 358 R HN -0.371 nan 8.270 nan 0.000 0.518 359 P HA -0.032 nan 4.420 nan 0.000 0.264 359 P C -0.274 177.042 177.300 0.026 0.000 1.183 359 P CA 0.273 63.387 63.100 0.023 0.000 0.763 359 P CB 0.680 32.370 31.700 -0.017 0.000 0.807 360 S N 2.007 117.734 115.700 0.046 0.000 2.600 360 S HA 0.162 4.633 4.470 0.001 0.000 0.265 360 S C 0.172 174.788 174.600 0.027 0.000 1.325 360 S CA -0.715 57.528 58.200 0.073 0.000 1.002 360 S CB 0.456 63.721 63.200 0.109 0.000 0.921 360 S HN 0.532 nan 8.310 nan 0.000 0.554 361 E N 1.209 121.442 120.200 0.055 0.000 2.301 361 E HA 0.385 4.736 4.350 0.001 0.000 0.275 361 E C -2.814 173.767 176.600 -0.032 0.000 1.030 361 E CA -2.265 54.120 56.400 -0.025 0.000 0.852 361 E CB 0.636 30.319 29.700 -0.029 0.000 1.060 361 E HN 0.440 nan 8.360 nan 0.000 0.401 362 P HA 0.229 nan 4.420 nan 0.000 0.281 362 P C -0.764 176.421 177.300 -0.193 0.000 1.249 362 P CA -0.336 62.630 63.100 -0.224 0.000 0.810 362 P CB 0.784 32.004 31.700 -0.800 0.000 1.008 363 H N 2.124 121.210 119.070 0.027 0.000 2.792 363 H HA 0.285 4.841 4.556 0.001 0.000 0.298 363 H C -0.246 175.200 175.328 0.197 0.000 1.042 363 H CA -0.344 55.804 56.048 0.167 0.000 1.300 363 H CB 0.195 30.080 29.762 0.204 0.000 1.431 363 H HN 0.308 nan 8.280 nan 0.000 0.496 364 F N 1.825 121.951 119.950 0.293 0.000 2.410 364 F HA 0.053 4.581 4.527 0.001 0.000 0.334 364 F C 1.660 177.648 175.800 0.313 0.000 1.134 364 F CA -0.352 57.834 58.000 0.310 0.000 1.227 364 F CB 0.934 40.046 39.000 0.188 0.000 1.194 364 F HN 0.358 nan 8.300 nan 0.000 0.571 365 T N 0.395 115.249 114.554 0.501 0.000 2.788 365 T HA 0.141 4.492 4.350 0.001 0.000 0.287 365 T C 1.125 176.015 174.700 0.318 0.000 1.007 365 T CA -0.798 61.532 62.100 0.383 0.000 1.005 365 T CB 0.721 69.801 68.868 0.353 0.000 1.012 365 T HN 0.585 nan 8.240 nan 0.000 0.530 366 L N 1.303 122.667 121.223 0.236 0.000 1.997 366 L HA -0.155 4.186 4.340 0.001 0.000 0.216 366 L C 2.053 179.033 176.870 0.184 0.000 1.074 366 L CA 2.689 57.642 54.840 0.188 0.000 0.763 366 L CB -1.202 40.944 42.059 0.145 0.000 0.890 366 L HN 0.946 nan 8.230 nan 0.000 0.434 367 D N -1.273 119.237 120.400 0.183 0.000 2.363 367 D HA 0.075 4.716 4.640 0.001 0.000 0.220 367 D C 1.640 178.055 176.300 0.190 0.000 0.994 367 D CA 0.783 54.882 54.000 0.165 0.000 0.890 367 D CB -0.630 40.257 40.800 0.146 0.000 0.906 367 D HN 0.532 nan 8.370 nan 0.000 0.530 368 G N 0.488 109.445 108.800 0.261 0.000 2.168 368 G HA2 -0.357 3.604 3.960 0.001 0.000 0.257 368 G HA3 -0.357 3.604 3.960 0.001 0.000 0.257 368 G C 0.868 175.985 174.900 0.362 0.000 0.997 368 G CA 0.421 45.706 45.100 0.309 0.000 0.708 368 G HN 0.384 nan 8.290 nan 0.000 0.520 369 N N 0.130 119.011 118.700 0.301 0.000 2.353 369 N HA 0.182 4.923 4.740 0.001 0.000 0.185 369 N C 0.935 176.584 175.510 0.232 0.000 1.098 369 N CA 1.128 54.324 53.050 0.243 0.000 0.872 369 N CB 0.443 39.027 38.487 0.162 0.000 0.970 369 N HN 0.932 nan 8.380 nan 0.000 0.467 370 S N -0.454 115.418 115.700 0.286 0.000 2.615 370 S HA 0.758 5.229 4.470 0.001 0.000 0.269 370 S C -1.041 173.635 174.600 0.127 0.000 1.161 370 S CA -1.025 57.211 58.200 0.061 0.000 0.817 370 S CB 1.712 64.859 63.200 -0.088 0.000 1.131 370 S HN 0.125 nan 8.310 nan 0.000 0.467 371 F N -1.952 117.812 119.950 -0.310 0.000 2.693 371 F HA 0.816 5.344 4.527 0.001 0.000 0.309 371 F C -2.204 173.417 175.800 -0.300 0.000 1.129 371 F CA -1.501 56.263 58.000 -0.393 0.000 0.948 371 F CB 0.561 38.904 39.000 -1.095 0.000 1.315 371 F HN 0.607 nan 8.300 nan 0.000 0.447 372 Y N 1.269 121.717 120.300 0.246 0.000 2.409 372 Y HA 0.708 5.259 4.550 0.001 0.000 0.339 372 Y C -0.205 175.861 175.900 0.277 0.000 1.033 372 Y CA -0.869 57.357 58.100 0.210 0.000 1.094 372 Y CB 2.116 40.643 38.460 0.112 0.000 1.210 372 Y HN 0.762 nan 8.280 nan 0.000 0.456 373 K N 2.672 123.297 120.400 0.377 0.000 2.557 373 K HA 0.506 4.827 4.320 0.001 0.000 0.261 373 K C -1.845 174.894 176.600 0.232 0.000 0.932 373 K CA -0.547 55.927 56.287 0.311 0.000 0.829 373 K CB 1.546 34.211 32.500 0.276 0.000 1.358 373 K HN 0.732 nan 8.250 nan 0.000 0.430 374 I N 6.255 126.934 120.570 0.181 0.000 2.396 374 I HA 0.264 4.435 4.170 0.001 0.000 0.289 374 I C 0.146 176.351 176.117 0.148 0.000 1.056 374 I CA -0.275 61.108 61.300 0.139 0.000 1.365 374 I CB 0.353 38.415 38.000 0.103 0.000 1.407 374 I HN 0.492 nan 8.210 nan 0.000 0.509 375 I N 2.089 122.772 120.570 0.188 0.000 2.994 375 I HA 0.462 4.632 4.170 0.001 0.000 0.306 375 I C -0.313 175.927 176.117 0.205 0.000 1.195 375 I CA -0.784 60.626 61.300 0.183 0.000 1.001 375 I CB 2.168 40.290 38.000 0.204 0.000 1.244 375 I HN 0.355 nan 8.210 nan 0.000 0.437 376 S N 3.087 118.840 115.700 0.089 0.000 2.510 376 S HA 0.217 4.688 4.470 0.001 0.000 0.279 376 S C 0.049 174.679 174.600 0.050 0.000 1.284 376 S CA -0.448 57.747 58.200 -0.008 0.000 1.059 376 S CB -0.314 62.819 63.200 -0.112 0.000 0.901 376 S HN 0.830 nan 8.310 nan 0.000 0.491 377 N N 4.176 122.797 118.700 -0.133 0.000 2.374 377 N HA 0.194 4.935 4.740 0.001 0.000 0.284 377 N C 0.741 176.143 175.510 -0.179 0.000 1.280 377 N CA -0.397 52.440 53.050 -0.354 0.000 0.963 377 N CB -0.040 37.834 38.487 -1.021 0.000 1.141 377 N HN 0.518 nan 8.380 nan 0.000 0.565 378 E N -0.581 119.512 120.200 -0.179 0.000 2.265 378 E HA -0.128 4.223 4.350 0.001 0.000 0.196 378 E C 0.576 177.116 176.600 -0.099 0.000 0.996 378 E CA 0.901 57.241 56.400 -0.101 0.000 0.832 378 E CB -0.082 29.569 29.700 -0.081 0.000 0.756 378 E HN 0.594 nan 8.360 nan 0.000 0.491 379 E N -0.440 119.698 120.200 -0.103 0.000 2.478 379 E HA 0.054 4.405 4.350 0.001 0.000 0.194 379 E C 1.040 177.590 176.600 -0.084 0.000 1.045 379 E CA 0.534 56.922 56.400 -0.021 0.000 0.868 379 E CB 0.530 30.282 29.700 0.088 0.000 0.885 379 E HN 0.355 nan 8.360 nan 0.000 0.505 380 G N 0.935 109.631 108.800 -0.173 0.000 2.132 380 G HA2 -0.279 3.681 3.960 0.001 0.000 0.234 380 G HA3 -0.279 3.681 3.960 0.001 0.000 0.234 380 G C -0.268 174.333 174.900 -0.498 0.000 0.989 380 G CA 0.035 44.931 45.100 -0.341 0.000 0.676 380 G HN 0.201 nan 8.290 nan 0.000 0.522 381 Y N 0.159 120.320 120.300 -0.231 0.000 2.360 381 Y HA 0.633 5.184 4.550 0.001 0.000 0.337 381 Y C 1.160 176.878 175.900 -0.303 0.000 1.039 381 Y CA -0.911 57.033 58.100 -0.259 0.000 1.109 381 Y CB 1.072 39.397 38.460 -0.225 0.000 1.201 381 Y HN 0.085 nan 8.280 nan 0.000 0.458 382 R N 3.726 124.076 120.500 -0.250 0.000 2.296 382 R HA 0.247 4.588 4.340 0.001 0.000 0.323 382 R C -0.741 175.240 176.300 -0.532 0.000 1.067 382 R CA 0.003 55.958 56.100 -0.242 0.000 0.946 382 R CB 0.073 30.290 30.300 -0.139 0.000 0.991 382 R HN 0.650 nan 8.270 nan 0.000 0.448 383 H N 1.683 120.711 119.070 -0.069 0.000 2.949 383 H HA 0.347 4.904 4.556 0.001 0.000 0.356 383 H C -0.160 175.226 175.328 0.097 0.000 1.212 383 H CA -0.965 55.022 56.048 -0.102 0.000 1.136 383 H CB 1.598 31.193 29.762 -0.279 0.000 1.869 383 H HN 0.315 nan 8.280 nan 0.000 0.556 384 I N 1.280 121.929 120.570 0.132 0.000 2.396 384 I HA 0.051 4.222 4.170 0.001 0.000 0.289 384 I C 0.376 176.521 176.117 0.048 0.000 1.056 384 I CA 0.089 61.428 61.300 0.065 0.000 1.365 384 I CB 0.390 38.340 38.000 -0.085 0.000 1.407 384 I HN 0.150 nan 8.210 nan 0.000 0.509 385 c N 7.183 125.731 118.600 -0.087 0.000 2.376 385 c HA 0.435 5.006 4.570 0.001 0.000 0.335 385 c C -0.435 173.487 174.090 -0.280 0.000 1.229 385 c CA -0.464 55.570 56.329 -0.493 0.000 1.867 385 c CB 0.947 42.870 42.510 -0.977 0.000 2.319 385 c HN 0.635 nan 8.230 nan 0.000 0.515 386 Y N 4.502 124.447 120.300 -0.592 0.000 2.335 386 Y HA 0.646 5.197 4.550 0.001 0.000 0.339 386 Y C -1.023 174.405 175.900 -0.787 0.000 0.987 386 Y CA -1.101 56.605 58.100 -0.658 0.000 1.140 386 Y CB 0.207 38.379 38.460 -0.479 0.000 1.173 386 Y HN 0.628 nan 8.280 nan 0.000 0.486 387 F N 3.764 122.952 119.950 -1.269 0.000 2.458 387 F HA 0.466 4.993 4.527 0.001 0.000 0.330 387 F C -0.070 174.942 175.800 -1.313 0.000 1.082 387 F CA -0.919 56.257 58.000 -1.374 0.000 0.995 387 F CB 1.573 39.350 39.000 -2.037 0.000 1.170 387 F HN 0.291 nan 8.300 nan 0.000 0.478 388 Q N 2.020 121.453 119.800 -0.612 0.000 2.256 388 Q HA 0.347 4.688 4.340 0.001 0.000 0.257 388 Q C 0.880 176.836 176.000 -0.072 0.000 0.936 388 Q CA -0.308 55.284 55.803 -0.351 0.000 0.903 388 Q CB 1.590 30.182 28.738 -0.244 0.000 1.263 388 Q HN 0.699 nan 8.270 nan 0.000 0.440 389 I N -0.635 119.997 120.570 0.103 0.000 2.567 389 I HA -0.097 4.074 4.170 0.001 0.000 0.257 389 I C 0.480 176.798 176.117 0.336 0.000 1.184 389 I CA 1.429 62.941 61.300 0.354 0.000 1.451 389 I CB 0.055 38.276 38.000 0.369 0.000 1.089 389 I HN 0.440 nan 8.210 nan 0.000 0.441 390 D N 0.343 120.841 120.400 0.163 0.000 2.501 390 D HA 0.217 4.857 4.640 0.001 0.000 0.226 390 D C -0.123 176.204 176.300 0.044 0.000 1.198 390 D CA -0.252 53.797 54.000 0.083 0.000 0.830 390 D CB 0.253 41.083 40.800 0.050 0.000 1.014 390 D HN 0.196 nan 8.370 nan 0.000 0.496 391 K N 0.316 120.769 120.400 0.088 0.000 2.378 391 K HA 0.375 4.695 4.320 0.001 0.000 0.252 391 K C 0.828 177.494 176.600 0.112 0.000 0.931 391 K CA -0.601 55.708 56.287 0.037 0.000 0.794 391 K CB 2.377 34.855 32.500 -0.036 0.000 1.181 391 K HN -0.280 nan 8.250 nan 0.000 0.425 392 K N 0.474 120.892 120.400 0.031 0.000 2.116 392 K HA 0.027 4.348 4.320 0.001 0.000 0.203 392 K C -0.338 176.289 176.600 0.045 0.000 1.052 392 K CA 0.871 57.191 56.287 0.055 0.000 0.952 392 K CB 0.224 32.720 32.500 -0.007 0.000 0.729 392 K HN 0.545 nan 8.250 nan 0.000 0.446 393 D N 1.269 121.635 120.400 -0.056 0.000 2.264 393 D HA 0.087 4.728 4.640 0.001 0.000 0.250 393 D C 0.043 176.144 176.300 -0.333 0.000 1.113 393 D CA -0.230 53.676 54.000 -0.157 0.000 0.871 393 D CB 1.207 41.929 40.800 -0.130 0.000 1.167 393 D HN 0.206 nan 8.370 nan 0.000 0.447 394 c N 0.603 118.851 118.600 -0.587 0.000 2.401 394 c HA 0.798 5.368 4.570 0.001 0.000 0.356 394 c C 0.246 173.917 174.090 -0.698 0.000 1.192 394 c CA -0.577 55.163 56.329 -0.982 0.000 2.028 394 c CB 1.128 42.339 42.510 -2.166 0.000 2.344 394 c HN 0.469 nan 8.230 nan 0.000 0.525 395 T N 2.112 116.306 114.554 -0.599 0.000 2.779 395 T HA 0.493 4.844 4.350 0.001 0.000 0.280 395 T C -0.713 173.758 174.700 -0.381 0.000 0.987 395 T CA 0.131 62.032 62.100 -0.332 0.000 0.966 395 T CB 0.474 69.295 68.868 -0.079 0.000 0.933 395 T HN 0.500 nan 8.240 nan 0.000 0.442 396 F N 3.232 123.064 119.950 -0.198 0.000 2.456 396 F HA 0.281 4.809 4.527 0.001 0.000 0.358 396 F C 1.608 177.241 175.800 -0.279 0.000 1.095 396 F CA -0.879 56.990 58.000 -0.218 0.000 1.216 396 F CB 0.488 39.363 39.000 -0.208 0.000 1.125 396 F HN 0.568 nan 8.300 nan 0.000 0.549 397 I N -0.714 119.728 120.570 -0.213 0.000 3.941 397 I HA 0.218 4.389 4.170 0.001 0.000 0.321 397 I C 0.247 176.181 176.117 -0.306 0.000 1.284 397 I CA 0.134 61.078 61.300 -0.593 0.000 1.226 397 I CB 0.017 37.390 38.000 -1.046 0.000 1.045 397 I HN 0.486 nan 8.210 nan 0.000 0.420 398 T N 0.264 114.711 114.554 -0.177 0.000 2.906 398 T HA 0.730 5.080 4.350 0.001 0.000 0.295 398 T C -0.676 173.686 174.700 -0.563 0.000 1.075 398 T CA -0.708 61.284 62.100 -0.181 0.000 1.005 398 T CB 2.635 71.472 68.868 -0.052 0.000 1.136 398 T HN 0.493 nan 8.240 nan 0.000 0.498 399 K N -0.465 119.430 120.400 -0.842 0.000 2.642 399 K HA 0.745 5.065 4.320 0.001 0.000 0.290 399 K C -0.535 175.420 176.600 -1.076 0.000 1.006 399 K CA -0.923 54.526 56.287 -1.396 0.000 0.869 399 K CB 1.243 33.318 32.500 -0.710 0.000 1.499 399 K HN 1.611 nan 8.250 nan 0.000 0.403 400 G N -0.030 108.149 108.800 -1.034 0.000 2.351 400 G HA2 0.094 4.055 3.960 0.001 0.000 0.353 400 G HA3 0.094 4.055 3.960 0.001 0.000 0.353 400 G C -0.774 173.576 174.900 -0.916 0.000 1.358 400 G CA -0.391 44.290 45.100 -0.700 0.000 0.995 400 G HN 1.025 nan 8.290 nan 0.000 0.611 401 T N -0.320 113.845 114.554 -0.648 0.000 4.098 401 T HA 0.561 4.912 4.350 0.001 0.000 0.291 401 T C 0.237 174.710 174.700 -0.379 0.000 1.440 401 T CA 0.521 62.032 62.100 -0.981 0.000 1.164 401 T CB -0.942 67.606 68.868 -0.534 0.000 1.313 401 T HN 1.479 nan 8.240 nan 0.000 0.951 402 W N -0.317 120.790 121.300 -0.321 0.000 2.895 402 W HA 0.635 5.296 4.660 0.001 0.000 0.377 402 W C -1.488 175.018 176.519 -0.022 0.000 1.191 402 W CA -0.978 56.334 57.345 -0.053 0.000 1.179 402 W CB 0.665 30.091 29.460 -0.056 0.000 1.469 402 W HN 0.181 nan 8.180 nan 0.000 0.577 403 E N 0.743 121.143 120.200 0.334 0.000 2.343 403 E HA 0.453 4.803 4.350 0.001 0.000 0.270 403 E C -1.208 175.525 176.600 0.222 0.000 0.895 403 E CA -1.152 55.255 56.400 0.012 0.000 0.767 403 E CB 3.416 33.147 29.700 0.051 0.000 1.248 403 E HN 0.157 nan 8.360 nan 0.000 0.440 404 V N 3.735 123.642 119.914 -0.011 0.000 2.488 404 V HA 0.021 4.142 4.120 0.001 0.000 0.277 404 V C 1.189 177.364 176.094 0.135 0.000 1.046 404 V CA -0.046 62.328 62.300 0.124 0.000 0.986 404 V CB 0.664 32.443 31.823 -0.073 0.000 0.989 404 V HN 0.684 nan 8.190 nan 0.000 0.475 405 I N 3.147 123.827 120.570 0.183 0.000 2.339 405 I HA 0.247 4.417 4.170 0.001 0.000 0.245 405 I C 1.118 177.342 176.117 0.179 0.000 1.096 405 I CA 1.220 62.624 61.300 0.174 0.000 1.408 405 I CB -0.798 37.246 38.000 0.073 0.000 1.092 405 I HN 0.745 nan 8.210 nan 0.000 0.423 406 G N 0.587 109.491 108.800 0.173 0.000 2.632 406 G HA2 0.542 4.502 3.960 0.001 0.000 0.292 406 G HA3 0.542 4.502 3.960 0.001 0.000 0.292 406 G C -1.267 173.719 174.900 0.142 0.000 1.465 406 G CA -0.555 44.643 45.100 0.164 0.000 0.824 406 G HN -0.039 nan 8.290 nan 0.000 0.509 407 I N 1.526 122.119 120.570 0.039 0.000 2.342 407 I HA 0.246 4.417 4.170 0.001 0.000 0.291 407 I C 0.692 176.761 176.117 -0.079 0.000 1.010 407 I CA -0.524 60.697 61.300 -0.132 0.000 1.308 407 I CB 1.728 39.364 38.000 -0.608 0.000 1.400 407 I HN 0.525 nan 8.210 nan 0.000 0.488 408 E N 4.917 125.117 120.200 0.000 0.000 2.290 408 E HA 0.326 4.676 4.350 0.001 0.000 0.197 408 E C 0.125 176.648 176.600 -0.128 0.000 0.948 408 E CA 0.218 56.645 56.400 0.046 0.000 0.895 408 E CB 0.904 30.709 29.700 0.175 0.000 0.865 408 E HN 0.671 nan 8.360 nan 0.000 0.486 409 A N 0.705 123.353 122.820 -0.287 0.000 2.605 409 A HA 0.602 4.922 4.320 0.001 0.000 0.294 409 A C -1.981 175.515 177.584 -0.147 0.000 1.062 409 A CA -0.637 51.163 52.037 -0.395 0.000 0.682 409 A CB 1.338 19.585 19.000 -1.256 0.000 1.278 409 A HN 0.041 nan 8.150 nan 0.000 0.410 410 L N 1.407 122.594 121.223 -0.059 0.000 2.438 410 L HA 0.843 5.184 4.340 0.001 0.000 0.270 410 L C 0.094 176.992 176.870 0.047 0.000 0.972 410 L CA 0.523 55.363 54.840 0.001 0.000 0.831 410 L CB 2.123 44.214 42.059 0.053 0.000 1.273 410 L HN 1.245 nan 8.230 nan 0.000 0.405 411 T N -0.394 114.202 114.554 0.069 0.000 2.888 411 T HA 0.423 4.774 4.350 0.001 0.000 0.288 411 T C 0.973 175.708 174.700 0.059 0.000 1.063 411 T CA 0.071 62.224 62.100 0.089 0.000 1.010 411 T CB 1.233 70.190 68.868 0.147 0.000 1.214 411 T HN 0.654 nan 8.240 nan 0.000 0.533 412 S N -0.267 115.467 115.700 0.058 0.000 2.423 412 S HA -0.086 4.385 4.470 0.001 0.000 0.231 412 S C 0.938 175.515 174.600 -0.038 0.000 1.014 412 S CA 1.102 59.321 58.200 0.032 0.000 0.965 412 S CB -0.529 62.695 63.200 0.040 0.000 0.785 412 S HN 0.724 nan 8.310 nan 0.000 0.495 413 D N -0.613 119.747 120.400 -0.065 0.000 2.380 413 D HA 0.260 4.900 4.640 0.001 0.000 0.212 413 D C -0.453 175.524 176.300 -0.538 0.000 1.021 413 D CA 0.577 54.412 54.000 -0.276 0.000 0.884 413 D CB 0.291 40.931 40.800 -0.267 0.000 1.001 413 D HN 0.451 nan 8.370 nan 0.000 0.506 414 Y N -0.314 119.914 120.300 -0.121 0.000 2.562 414 Y HA 0.455 5.006 4.550 0.001 0.000 0.345 414 Y C -0.699 175.013 175.900 -0.314 0.000 1.045 414 Y CA -1.042 56.898 58.100 -0.268 0.000 1.028 414 Y CB 2.481 40.663 38.460 -0.463 0.000 1.297 414 Y HN -0.292 nan 8.280 nan 0.000 0.463 415 L N 2.580 123.678 121.223 -0.208 0.000 2.341 415 L HA 0.618 4.958 4.340 0.001 0.000 0.278 415 L C -1.851 174.881 176.870 -0.232 0.000 1.005 415 L CA -0.599 54.099 54.840 -0.236 0.000 0.818 415 L CB 0.944 42.775 42.059 -0.380 0.000 1.259 415 L HN 0.610 nan 8.230 nan 0.000 0.418 416 Y N 4.722 124.922 120.300 -0.166 0.000 2.342 416 Y HA 0.568 5.119 4.550 0.001 0.000 0.334 416 Y C -0.471 175.407 175.900 -0.037 0.000 1.067 416 Y CA -0.275 57.715 58.100 -0.183 0.000 1.128 416 Y CB 1.419 39.628 38.460 -0.420 0.000 1.200 416 Y HN 0.540 nan 8.280 nan 0.000 0.464 417 Y N -0.091 120.249 120.300 0.066 0.000 2.638 417 Y HA 0.777 5.327 4.550 0.001 0.000 0.335 417 Y C -1.852 174.118 175.900 0.117 0.000 1.155 417 Y CA -1.992 56.143 58.100 0.059 0.000 1.046 417 Y CB 0.981 39.451 38.460 0.017 0.000 1.303 417 Y HN 0.429 nan 8.280 nan 0.000 0.460 418 I N 3.073 123.810 120.570 0.279 0.000 2.412 418 I HA 0.669 4.840 4.170 0.001 0.000 0.296 418 I C -0.322 175.977 176.117 0.303 0.000 0.987 418 I CA -0.438 60.973 61.300 0.184 0.000 1.180 418 I CB 1.936 39.992 38.000 0.093 0.000 1.340 418 I HN 0.862 nan 8.210 nan 0.000 0.455 419 S N 3.010 118.853 115.700 0.238 0.000 2.638 419 S HA 0.403 4.874 4.470 0.001 0.000 0.274 419 S C -0.609 174.037 174.600 0.077 0.000 1.157 419 S CA -0.931 57.390 58.200 0.201 0.000 0.826 419 S CB 1.657 64.967 63.200 0.184 0.000 1.139 419 S HN 0.635 nan 8.310 nan 0.000 0.474 420 N N -0.215 118.530 118.700 0.075 0.000 2.380 420 N HA 0.141 4.882 4.740 0.001 0.000 0.255 420 N C 0.563 176.046 175.510 -0.044 0.000 1.158 420 N CA -0.262 52.794 53.050 0.010 0.000 0.878 420 N CB 0.272 38.759 38.487 0.000 0.000 1.138 420 N HN 0.832 nan 8.380 nan 0.000 0.509 421 E N -0.067 119.952 120.200 -0.303 0.000 2.072 421 E HA -0.209 4.142 4.350 0.001 0.000 0.191 421 E C -0.325 176.122 176.600 -0.254 0.000 0.985 421 E CA 0.290 56.270 56.400 -0.700 0.000 0.801 421 E CB -0.097 28.544 29.700 -1.765 0.000 0.750 421 E HN 0.398 nan 8.360 nan 0.000 0.452 422 Y N 2.112 122.316 120.300 -0.161 0.000 2.881 422 Y HA -0.155 4.396 4.550 0.001 0.000 0.335 422 Y C 0.396 176.256 175.900 -0.066 0.000 1.263 422 Y CA 0.965 59.024 58.100 -0.069 0.000 1.572 422 Y CB 0.049 38.497 38.460 -0.019 0.000 1.237 422 Y HN 0.097 nan 8.280 nan 0.000 0.568 423 K N 3.434 123.520 120.400 -0.522 0.000 3.048 423 K HA -0.256 4.065 4.320 0.001 0.000 0.274 423 K C 0.864 177.374 176.600 -0.149 0.000 1.098 423 K CA 0.806 56.855 56.287 -0.397 0.000 0.807 423 K CB -1.767 30.441 32.500 -0.486 0.000 1.217 423 K HN 1.267 nan 8.250 nan 0.000 0.477 424 G N 0.646 109.381 108.800 -0.109 0.000 2.283 424 G HA2 -0.331 3.629 3.960 0.001 0.000 0.280 424 G HA3 -0.331 3.629 3.960 0.001 0.000 0.280 424 G C 0.021 174.885 174.900 -0.059 0.000 1.029 424 G CA 0.873 45.956 45.100 -0.029 0.000 0.840 424 G HN 0.351 nan 8.290 nan 0.000 0.505 425 M N 0.875 120.373 119.600 -0.171 0.000 2.080 425 M HA 0.229 4.710 4.480 0.001 0.000 0.350 425 M C -0.848 175.210 176.300 -0.404 0.000 1.143 425 M CA -2.039 52.996 55.300 -0.442 0.000 1.064 425 M CB 1.635 34.044 32.600 -0.318 0.000 1.429 425 M HN -0.053 nan 8.290 nan 0.000 0.418 426 P HA -0.087 nan 4.420 nan 0.000 0.225 426 P C 0.969 178.142 177.300 -0.213 0.000 1.148 426 P CA 1.180 64.120 63.100 -0.266 0.000 0.779 426 P CB 0.143 31.709 31.700 -0.222 0.000 0.780 427 G N -0.630 107.976 108.800 -0.323 0.000 3.233 427 G HA2 0.320 4.281 3.960 0.001 0.000 0.227 427 G HA3 0.320 4.281 3.960 0.001 0.000 0.227 427 G C 0.620 175.534 174.900 0.024 0.000 1.175 427 G CA 0.056 45.093 45.100 -0.104 0.000 0.781 427 G HN 0.430 nan 8.290 nan 0.000 0.542 428 G N -0.094 108.665 108.800 -0.067 0.000 2.454 428 G HA2 0.658 4.619 3.960 0.001 0.000 0.329 428 G HA3 0.658 4.619 3.960 0.001 0.000 0.329 428 G C -0.854 173.957 174.900 -0.147 0.000 1.177 428 G CA -0.782 44.312 45.100 -0.009 0.000 0.951 428 G HN 0.092 nan 8.290 nan 0.000 0.485 429 R N 1.234 121.605 120.500 -0.215 0.000 2.564 429 R HA 0.440 4.781 4.340 0.001 0.000 0.284 429 R C -1.270 174.999 176.300 -0.053 0.000 1.031 429 R CA -0.823 55.119 56.100 -0.263 0.000 0.904 429 R CB 2.218 32.124 30.300 -0.657 0.000 1.199 429 R HN 0.595 nan 8.270 nan 0.000 0.443 430 N N 1.466 120.150 118.700 -0.025 0.000 2.357 430 N HA 0.349 5.090 4.740 0.001 0.000 0.284 430 N C -1.303 174.070 175.510 -0.229 0.000 1.236 430 N CA -0.836 52.108 53.050 -0.176 0.000 0.774 430 N CB 2.683 40.951 38.487 -0.365 0.000 1.534 430 N HN 0.257 nan 8.380 nan 0.000 0.478 431 L N 1.917 122.858 121.223 -0.471 0.000 2.292 431 L HA 0.481 4.822 4.340 0.001 0.000 0.284 431 L C -1.428 175.065 176.870 -0.629 0.000 1.065 431 L CA 0.047 54.646 54.840 -0.403 0.000 0.806 431 L CB -0.054 41.758 42.059 -0.412 0.000 1.175 431 L HN 0.412 nan 8.230 nan 0.000 0.431 432 Y N 3.304 123.242 120.300 -0.603 0.000 2.602 432 Y HA 0.642 5.192 4.550 0.001 0.000 0.342 432 Y C -0.524 174.969 175.900 -0.678 0.000 1.029 432 Y CA -0.933 56.748 58.100 -0.698 0.000 1.080 432 Y CB 1.712 39.580 38.460 -0.988 0.000 1.284 432 Y HN 0.558 nan 8.280 nan 0.000 0.485 433 K N 1.781 121.977 120.400 -0.340 0.000 2.427 433 K HA 0.762 5.083 4.320 0.001 0.000 0.252 433 K C -1.921 174.617 176.600 -0.102 0.000 0.931 433 K CA -0.729 55.297 56.287 -0.436 0.000 0.793 433 K CB 2.815 34.801 32.500 -0.857 0.000 1.211 433 K HN 0.758 nan 8.250 nan 0.000 0.426 434 I N 2.113 122.710 120.570 0.046 0.000 2.465 434 I HA 0.165 4.336 4.170 0.001 0.000 0.291 434 I C -0.718 175.491 176.117 0.154 0.000 1.014 434 I CA -0.792 60.606 61.300 0.164 0.000 1.093 434 I CB 2.008 40.132 38.000 0.206 0.000 1.267 434 I HN 0.860 nan 8.210 nan 0.000 0.431 435 Q N 6.277 126.151 119.800 0.123 0.000 2.262 435 Q HA 0.146 4.486 4.340 0.001 0.000 0.272 435 Q C 0.354 176.289 176.000 -0.108 0.000 1.076 435 Q CA -0.077 55.613 55.803 -0.188 0.000 0.905 435 Q CB 1.023 29.679 28.738 -0.136 0.000 1.182 435 Q HN 0.827 nan 8.270 nan 0.000 0.390 436 L N 2.568 123.664 121.223 -0.211 0.000 2.265 436 L HA -0.167 4.173 4.340 0.001 0.000 0.215 436 L C 2.135 178.922 176.870 -0.138 0.000 1.117 436 L CA 1.269 56.071 54.840 -0.062 0.000 0.782 436 L CB -0.353 41.631 42.059 -0.125 0.000 0.914 436 L HN 0.675 nan 8.230 nan 0.000 0.441 437 S N -2.500 113.071 115.700 -0.215 0.000 2.558 437 S HA -0.023 4.447 4.470 0.001 0.000 0.217 437 S C 0.453 174.880 174.600 -0.288 0.000 0.975 437 S CA 0.004 58.063 58.200 -0.235 0.000 0.912 437 S CB 0.088 63.181 63.200 -0.180 0.000 0.776 437 S HN 0.379 nan 8.310 nan 0.000 0.526 438 D N -0.157 120.082 120.400 -0.269 0.000 2.351 438 D HA 0.191 4.832 4.640 0.001 0.000 0.235 438 D C -0.360 175.899 176.300 -0.069 0.000 1.331 438 D CA -0.579 53.287 54.000 -0.224 0.000 0.959 438 D CB -0.069 40.658 40.800 -0.121 0.000 1.432 438 D HN -0.045 nan 8.370 nan 0.000 0.544 439 Y N 0.957 121.237 120.300 -0.033 0.000 2.465 439 Y HA -0.127 4.423 4.550 0.001 0.000 0.289 439 Y C 2.594 178.501 175.900 0.010 0.000 1.150 439 Y CA 1.544 59.638 58.100 -0.011 0.000 1.293 439 Y CB -1.114 37.340 38.460 -0.009 0.000 0.977 439 Y HN 0.466 nan 8.280 nan 0.000 0.556 440 T N -2.724 111.905 114.554 0.125 0.000 3.072 440 T HA -0.046 4.305 4.350 0.001 0.000 0.266 440 T C 0.789 175.538 174.700 0.082 0.000 1.127 440 T CA 0.327 62.479 62.100 0.087 0.000 1.107 440 T CB -0.112 68.781 68.868 0.043 0.000 0.910 440 T HN -0.078 nan 8.240 nan 0.000 0.513 441 K N 2.578 123.029 120.400 0.084 0.000 2.180 441 K HA 0.443 4.764 4.320 0.001 0.000 0.250 441 K C -1.009 175.661 176.600 0.117 0.000 1.135 441 K CA -0.214 56.123 56.287 0.084 0.000 1.037 441 K CB 0.898 33.438 32.500 0.066 0.000 1.624 441 K HN 0.215 nan 8.250 nan 0.000 0.382 442 V N 2.209 122.191 119.914 0.113 0.000 2.398 442 V HA 0.294 4.414 4.120 0.001 0.000 0.286 442 V C 0.098 176.248 176.094 0.094 0.000 1.026 442 V CA -0.573 61.804 62.300 0.129 0.000 0.868 442 V CB 1.810 33.727 31.823 0.157 0.000 0.982 442 V HN 0.493 nan 8.190 nan 0.000 0.443 443 T N 3.607 118.187 114.554 0.044 0.000 2.786 443 T HA 0.242 4.592 4.350 0.001 0.000 0.283 443 T C -0.353 174.258 174.700 -0.147 0.000 0.992 443 T CA -0.279 61.796 62.100 -0.042 0.000 0.954 443 T CB 1.177 69.984 68.868 -0.100 0.000 0.934 443 T HN 0.775 nan 8.240 nan 0.000 0.440 444 C N 4.991 124.140 119.300 -0.252 0.000 2.499 444 C HA 0.426 4.887 4.460 0.001 0.000 0.386 444 C C 1.563 176.221 174.990 -0.554 0.000 1.293 444 C CA -0.476 58.106 59.018 -0.727 0.000 1.884 444 C CB -1.624 25.610 27.740 -0.843 0.000 2.509 444 C HN 0.995 nan 8.230 nan 0.000 0.566 445 L N 4.597 125.452 121.223 -0.612 0.000 2.556 445 L HA 0.122 4.463 4.340 0.001 0.000 0.226 445 L C 2.078 178.639 176.870 -0.515 0.000 1.089 445 L CA 0.679 55.254 54.840 -0.441 0.000 0.864 445 L CB -0.138 41.707 42.059 -0.357 0.000 1.067 445 L HN 0.875 nan 8.230 nan 0.000 0.477 446 S N -3.059 112.214 115.700 -0.712 0.000 2.589 446 S HA -0.006 4.465 4.470 0.001 0.000 0.235 446 S C 1.799 176.003 174.600 -0.660 0.000 1.051 446 S CA -0.120 57.564 58.200 -0.860 0.000 0.978 446 S CB -0.315 61.957 63.200 -1.546 0.000 0.929 446 S HN 0.286 nan 8.310 nan 0.000 0.523 447 C N 2.124 121.004 119.300 -0.699 0.000 2.385 447 C HA -0.008 4.453 4.460 0.001 0.000 0.275 447 C C 2.447 177.156 174.990 -0.468 0.000 1.207 447 C CA 1.418 59.964 59.018 -0.787 0.000 1.760 447 C CB -1.084 25.911 27.740 -1.241 0.000 2.051 447 C HN 0.588 nan 8.230 nan 0.000 0.467 448 E N 0.017 120.019 120.200 -0.330 0.000 2.463 448 E HA 0.190 4.540 4.350 0.001 0.000 0.193 448 E C 1.846 178.393 176.600 -0.088 0.000 1.041 448 E CA -0.058 56.248 56.400 -0.156 0.000 0.879 448 E CB -0.279 29.348 29.700 -0.121 0.000 0.997 448 E HN 0.559 nan 8.360 nan 0.000 0.478 449 L N 0.211 121.378 121.223 -0.093 0.000 2.042 449 L HA -0.092 4.249 4.340 0.001 0.000 0.210 449 L C 0.919 177.799 176.870 0.018 0.000 1.076 449 L CA 0.975 55.802 54.840 -0.020 0.000 0.749 449 L CB -0.035 42.034 42.059 0.016 0.000 0.893 449 L HN 0.132 nan 8.230 nan 0.000 0.432 450 N N -1.514 117.209 118.700 0.038 0.000 3.111 450 N HA 0.056 4.797 4.740 0.001 0.000 0.200 450 N C -2.145 173.389 175.510 0.040 0.000 1.464 450 N CA -0.757 52.311 53.050 0.030 0.000 0.758 450 N CB 0.736 39.236 38.487 0.022 0.000 1.548 450 N HN -0.195 nan 8.380 nan 0.000 0.595 451 P HA -0.144 nan 4.420 nan 0.000 0.217 451 P C 0.735 178.075 177.300 0.067 0.000 1.148 451 P CA 1.274 64.421 63.100 0.079 0.000 0.828 451 P CB 0.709 32.474 31.700 0.108 0.000 0.783 452 E N -0.443 119.780 120.200 0.038 0.000 2.076 452 E HA -0.103 4.248 4.350 0.001 0.000 0.190 452 E C 2.426 179.026 176.600 0.001 0.000 0.979 452 E CA 0.574 56.987 56.400 0.022 0.000 0.807 452 E CB -0.174 29.533 29.700 0.011 0.000 0.761 452 E HN 0.172 nan 8.360 nan 0.000 0.454 453 R N -0.185 120.304 120.500 -0.018 0.000 2.173 453 R HA 0.079 4.419 4.340 0.001 0.000 0.208 453 R C -0.200 176.050 176.300 -0.083 0.000 1.035 453 R CA 0.496 56.563 56.100 -0.055 0.000 1.004 453 R CB 0.424 30.682 30.300 -0.071 0.000 0.917 453 R HN 0.080 nan 8.270 nan 0.000 0.462 454 c N 0.893 119.453 118.600 -0.067 0.000 2.344 454 c HA 0.413 4.984 4.570 0.001 0.000 0.326 454 c C -0.004 174.058 174.090 -0.047 0.000 1.201 454 c CA -0.683 55.550 56.329 -0.160 0.000 1.410 454 c CB 1.416 43.776 42.510 -0.251 0.000 2.070 454 c HN 0.516 nan 8.230 nan 0.000 0.445 455 Q N 0.463 120.235 119.800 -0.048 0.000 2.113 455 Q HA 0.203 4.544 4.340 0.001 0.000 0.225 455 Q C -0.982 175.086 176.000 0.114 0.000 0.786 455 Q CA 0.093 55.947 55.803 0.085 0.000 0.989 455 Q CB 1.337 30.140 28.738 0.109 0.000 1.174 455 Q HN 0.795 nan 8.270 nan 0.000 0.470 456 Y N 0.379 120.578 120.300 -0.168 0.000 2.317 456 Y HA 0.379 4.930 4.550 0.001 0.000 0.325 456 Y C -1.659 174.104 175.900 -0.229 0.000 1.066 456 Y CA -1.016 57.014 58.100 -0.116 0.000 1.203 456 Y CB 0.795 39.193 38.460 -0.103 0.000 1.127 456 Y HN -0.081 nan 8.280 nan 0.000 0.451 457 Y N 2.267 122.515 120.300 -0.087 0.000 2.549 457 Y HA 0.707 5.257 4.550 0.001 0.000 0.339 457 Y C 0.180 176.032 175.900 -0.081 0.000 1.053 457 Y CA -0.615 57.441 58.100 -0.073 0.000 1.105 457 Y CB 2.344 40.727 38.460 -0.128 0.000 1.258 457 Y HN 0.515 nan 8.280 nan 0.000 0.478 458 S N 0.446 116.244 115.700 0.163 0.000 2.661 458 S HA 0.873 5.344 4.470 0.001 0.000 0.285 458 S C -1.652 173.025 174.600 0.128 0.000 1.138 458 S CA -0.767 57.506 58.200 0.123 0.000 0.855 458 S CB 1.851 65.133 63.200 0.137 0.000 1.136 458 S HN 0.636 nan 8.310 nan 0.000 0.484 459 V N 0.129 120.119 119.914 0.127 0.000 3.114 459 V HA 0.876 4.997 4.120 0.001 0.000 0.308 459 V C -1.313 174.881 176.094 0.167 0.000 1.168 459 V CA -0.275 62.083 62.300 0.097 0.000 1.015 459 V CB 2.326 34.144 31.823 -0.009 0.000 1.050 459 V HN 1.210 nan 8.190 nan 0.000 0.433 460 S N 3.980 119.775 115.700 0.158 0.000 2.779 460 S HA 0.674 5.145 4.470 0.001 0.000 0.293 460 S C -1.273 173.491 174.600 0.274 0.000 1.150 460 S CA -0.368 58.019 58.200 0.312 0.000 1.057 460 S CB 0.454 63.892 63.200 0.397 0.000 1.021 460 S HN 0.492 nan 8.310 nan 0.000 0.485 461 F N 3.101 123.098 119.950 0.078 0.000 2.377 461 F HA 0.461 4.989 4.527 0.001 0.000 0.328 461 F C 1.407 176.759 175.800 -0.746 0.000 1.094 461 F CA -0.227 57.644 58.000 -0.216 0.000 1.093 461 F CB 1.459 40.316 39.000 -0.238 0.000 1.214 461 F HN 0.639 nan 8.300 nan 0.000 0.518 462 S N 2.113 117.159 115.700 -1.090 0.000 2.617 462 S HA 0.155 4.625 4.470 0.001 0.000 0.259 462 S C 1.290 175.629 174.600 -0.434 0.000 1.301 462 S CA -0.785 56.563 58.200 -1.421 0.000 0.984 462 S CB 0.730 63.165 63.200 -1.276 0.000 0.954 462 S HN 0.569 nan 8.310 nan 0.000 0.572 463 K N 0.833 121.111 120.400 -0.204 0.000 2.077 463 K HA -0.143 4.178 4.320 0.001 0.000 0.213 463 K C 0.938 177.509 176.600 -0.048 0.000 1.051 463 K CA 1.750 58.011 56.287 -0.044 0.000 0.929 463 K CB -0.421 32.094 32.500 0.026 0.000 0.715 463 K HN 0.686 nan 8.250 nan 0.000 0.451 464 E N -1.124 119.022 120.200 -0.090 0.000 2.569 464 E HA 0.235 4.586 4.350 0.001 0.000 0.205 464 E C 0.146 176.694 176.600 -0.086 0.000 1.006 464 E CA 0.194 56.558 56.400 -0.060 0.000 0.985 464 E CB 0.692 30.367 29.700 -0.042 0.000 1.060 464 E HN 0.251 nan 8.360 nan 0.000 0.460 465 A N 1.155 123.908 122.820 -0.112 0.000 2.887 465 A HA -0.333 3.988 4.320 0.001 0.000 0.257 465 A C 1.551 179.090 177.584 -0.075 0.000 1.372 465 A CA 1.711 53.709 52.037 -0.066 0.000 0.879 465 A CB -2.093 16.778 19.000 -0.217 0.000 1.082 465 A HN 0.284 nan 8.150 nan 0.000 0.703 466 K N -1.778 118.506 120.400 -0.194 0.000 2.148 466 K HA 0.043 4.364 4.320 0.001 0.000 0.204 466 K C 0.174 176.416 176.600 -0.598 0.000 1.050 466 K CA 1.602 57.662 56.287 -0.378 0.000 0.942 466 K CB -0.049 32.177 32.500 -0.456 0.000 0.724 466 K HN 0.680 nan 8.250 nan 0.000 0.446 467 Y N -1.108 119.081 120.300 -0.185 0.000 2.576 467 Y HA 0.333 4.883 4.550 0.001 0.000 0.346 467 Y C -1.009 174.753 175.900 -0.230 0.000 1.018 467 Y CA -1.334 56.655 58.100 -0.185 0.000 1.050 467 Y CB 1.731 40.112 38.460 -0.131 0.000 1.280 467 Y HN -0.033 nan 8.280 nan 0.000 0.474 468 Y N -1.019 119.211 120.300 -0.117 0.000 2.513 468 Y HA 0.516 5.066 4.550 0.001 0.000 0.340 468 Y C -1.220 174.674 175.900 -0.010 0.000 1.055 468 Y CA -1.465 56.405 58.100 -0.384 0.000 1.020 468 Y CB 1.445 39.101 38.460 -1.341 0.000 1.301 468 Y HN 0.596 nan 8.280 nan 0.000 0.453 469 Q N 4.006 123.939 119.800 0.222 0.000 2.290 469 Q HA 0.560 4.901 4.340 0.001 0.000 0.259 469 Q C -1.746 174.352 176.000 0.164 0.000 0.941 469 Q CA -0.674 55.237 55.803 0.179 0.000 0.912 469 Q CB 1.292 30.113 28.738 0.139 0.000 1.244 469 Q HN 0.971 nan 8.270 nan 0.000 0.441 470 L N 4.017 125.351 121.223 0.185 0.000 2.309 470 L HA 0.545 4.886 4.340 0.001 0.000 0.282 470 L C -0.027 176.921 176.870 0.131 0.000 1.036 470 L CA -0.548 54.389 54.840 0.162 0.000 0.806 470 L CB 1.508 43.645 42.059 0.130 0.000 1.220 470 L HN 0.581 nan 8.230 nan 0.000 0.429 471 R N 3.212 123.762 120.500 0.084 0.000 2.371 471 R HA 0.311 4.652 4.340 0.001 0.000 0.312 471 R C -1.085 175.068 176.300 -0.245 0.000 0.980 471 R CA -0.478 55.491 56.100 -0.219 0.000 0.867 471 R CB 1.300 31.528 30.300 -0.121 0.000 1.163 471 R HN 0.752 nan 8.270 nan 0.000 0.492 472 c N 3.861 122.190 118.600 -0.451 0.000 2.347 472 c HA 0.431 5.002 4.570 0.001 0.000 0.353 472 c C 1.305 175.149 174.090 -0.410 0.000 1.273 472 c CA -0.211 55.727 56.329 -0.652 0.000 1.861 472 c CB 0.522 42.602 42.510 -0.716 0.000 2.420 472 c HN 0.908 nan 8.230 nan 0.000 0.542 473 S N 3.599 119.149 115.700 -0.250 0.000 2.650 473 S HA 0.611 5.082 4.470 0.001 0.000 0.240 473 S C 0.346 174.893 174.600 -0.088 0.000 1.007 473 S CA 0.218 58.336 58.200 -0.136 0.000 0.984 473 S CB 0.043 63.201 63.200 -0.070 0.000 0.910 473 S HN 1.931 nan 8.310 nan 0.000 0.509 474 G N 1.801 110.533 108.800 -0.113 0.000 2.325 474 G HA2 0.404 4.364 3.960 0.001 0.000 0.297 474 G HA3 0.404 4.364 3.960 0.001 0.000 0.297 474 G C -3.037 171.832 174.900 -0.052 0.000 1.448 474 G CA -0.567 44.507 45.100 -0.043 0.000 0.838 474 G HN -0.131 nan 8.290 nan 0.000 0.579 475 P HA 0.123 nan 4.420 nan 0.000 0.231 475 P C 1.276 178.594 177.300 0.030 0.000 1.168 475 P CA 1.266 64.386 63.100 0.034 0.000 0.779 475 P CB 0.438 32.157 31.700 0.032 0.000 0.844 476 G N 0.447 109.200 108.800 -0.079 0.000 2.508 476 G HA2 0.407 4.368 3.960 0.001 0.000 0.278 476 G HA3 0.407 4.368 3.960 0.001 0.000 0.278 476 G C -0.250 174.419 174.900 -0.385 0.000 1.389 476 G CA -0.730 44.250 45.100 -0.200 0.000 1.050 476 G HN 0.039 nan 8.290 nan 0.000 0.522 477 L N 1.089 122.006 121.223 -0.511 0.000 2.461 477 L HA 0.185 4.526 4.340 0.001 0.000 0.272 477 L C -1.876 174.833 176.870 -0.268 0.000 1.197 477 L CA -1.365 53.141 54.840 -0.557 0.000 0.836 477 L CB 0.696 42.491 42.059 -0.439 0.000 1.105 477 L HN 0.236 nan 8.230 nan 0.000 0.477 478 P HA -0.029 nan 4.420 nan 0.000 0.263 478 P C -0.938 176.289 177.300 -0.121 0.000 1.175 478 P CA 0.145 63.163 63.100 -0.138 0.000 0.761 478 P CB 0.444 32.158 31.700 0.022 0.000 0.794 479 L N 5.345 126.411 121.223 -0.261 0.000 2.439 479 L HA 0.472 4.812 4.340 0.001 0.000 0.270 479 L C -1.778 174.946 176.870 -0.242 0.000 0.972 479 L CA -0.705 54.050 54.840 -0.142 0.000 0.836 479 L CB 0.928 42.914 42.059 -0.120 0.000 1.255 479 L HN 0.209 nan 8.230 nan 0.000 0.404 480 Y N 2.817 123.076 120.300 -0.069 0.000 2.335 480 Y HA 0.753 5.304 4.550 0.001 0.000 0.338 480 Y C 0.526 176.329 175.900 -0.162 0.000 0.977 480 Y CA -0.519 57.526 58.100 -0.091 0.000 1.114 480 Y CB 2.035 40.418 38.460 -0.128 0.000 1.182 480 Y HN 0.677 nan 8.280 nan 0.000 0.463 481 T N 0.836 115.406 114.554 0.028 0.000 2.906 481 T HA 0.713 5.064 4.350 0.001 0.000 0.295 481 T C -1.495 173.130 174.700 -0.124 0.000 1.075 481 T CA -0.894 61.154 62.100 -0.086 0.000 1.005 481 T CB 2.017 70.882 68.868 -0.005 0.000 1.136 481 T HN 0.386 nan 8.240 nan 0.000 0.498 482 L N 1.721 122.741 121.223 -0.339 0.000 2.334 482 L HA 0.627 4.968 4.340 0.001 0.000 0.276 482 L C -0.782 175.735 176.870 -0.589 0.000 1.014 482 L CA -0.321 54.355 54.840 -0.273 0.000 0.815 482 L CB 1.201 43.144 42.059 -0.194 0.000 1.268 482 L HN 0.833 nan 8.230 nan 0.000 0.428 483 H N 1.555 120.399 119.070 -0.376 0.000 2.928 483 H HA 0.425 4.982 4.556 0.001 0.000 0.371 483 H C -1.174 173.906 175.328 -0.413 0.000 1.186 483 H CA -0.873 54.837 56.048 -0.563 0.000 1.134 483 H CB 2.242 31.263 29.762 -1.235 0.000 1.824 483 H HN 0.516 nan 8.280 nan 0.000 0.554 484 S N 0.248 115.853 115.700 -0.159 0.000 2.451 484 S HA 0.194 4.665 4.470 0.001 0.000 0.301 484 S C 0.729 175.276 174.600 -0.087 0.000 1.116 484 S CA -0.549 57.581 58.200 -0.116 0.000 1.093 484 S CB 1.193 64.368 63.200 -0.043 0.000 1.017 484 S HN 0.609 nan 8.310 nan 0.000 0.482 485 S N 3.627 119.289 115.700 -0.063 0.000 2.387 485 S HA -0.096 4.375 4.470 0.001 0.000 0.226 485 S C 1.993 176.629 174.600 0.060 0.000 1.026 485 S CA 1.060 59.336 58.200 0.128 0.000 0.972 485 S CB -0.476 62.790 63.200 0.111 0.000 0.814 485 S HN 0.703 nan 8.310 nan 0.000 0.477 486 V N 2.753 122.656 119.914 -0.017 0.000 2.317 486 V HA -0.183 3.938 4.120 0.001 0.000 0.251 486 V C 0.822 176.927 176.094 0.017 0.000 1.065 486 V CA 1.872 64.176 62.300 0.007 0.000 1.049 486 V CB -0.299 31.516 31.823 -0.013 0.000 0.651 486 V HN 0.490 nan 8.190 nan 0.000 0.450 487 N N -0.860 117.845 118.700 0.010 0.000 2.240 487 N HA 0.122 4.862 4.740 0.001 0.000 0.240 487 N C -0.399 175.120 175.510 0.015 0.000 1.277 487 N CA 0.443 53.499 53.050 0.010 0.000 0.873 487 N CB 0.504 38.996 38.487 0.009 0.000 1.222 487 N HN 0.475 nan 8.380 nan 0.000 0.507 488 D N 1.320 121.745 120.400 0.043 0.000 2.686 488 D HA -0.171 4.470 4.640 0.001 0.000 0.235 488 D C -0.169 176.161 176.300 0.049 0.000 1.160 488 D CA 1.130 55.179 54.000 0.083 0.000 0.645 488 D CB -0.836 40.006 40.800 0.070 0.000 1.039 488 D HN 0.381 nan 8.370 nan 0.000 0.423 489 K N 0.066 120.474 120.400 0.013 0.000 2.185 489 K HA 0.391 4.712 4.320 0.001 0.000 0.271 489 K C 1.069 177.646 176.600 -0.038 0.000 1.013 489 K CA -0.161 56.123 56.287 -0.006 0.000 0.943 489 K CB 1.064 33.555 32.500 -0.015 0.000 0.998 489 K HN 0.127 nan 8.250 nan 0.000 0.468 490 G N 3.200 111.960 108.800 -0.066 0.000 2.546 490 G HA2 0.185 4.146 3.960 0.001 0.000 0.320 490 G HA3 0.185 4.146 3.960 0.001 0.000 0.320 490 G C 0.875 175.623 174.900 -0.252 0.000 0.984 490 G CA -0.395 44.551 45.100 -0.257 0.000 1.183 490 G HN 0.546 nan 8.290 nan 0.000 0.443 491 L N 1.566 122.610 121.223 -0.298 0.000 1.961 491 L HA 0.136 4.477 4.340 0.001 0.000 0.210 491 L C 1.758 178.526 176.870 -0.171 0.000 1.072 491 L CA 1.242 55.977 54.840 -0.176 0.000 0.749 491 L CB -0.285 41.694 42.059 -0.133 0.000 0.889 491 L HN 0.686 nan 8.230 nan 0.000 0.432 492 R N -1.933 118.426 120.500 -0.235 0.000 2.712 492 R HA 0.467 4.808 4.340 0.001 0.000 0.272 492 R C -1.641 174.524 176.300 -0.226 0.000 1.032 492 R CA -0.898 55.090 56.100 -0.187 0.000 0.874 492 R CB 1.544 31.764 30.300 -0.133 0.000 1.256 492 R HN -0.254 nan 8.270 nan 0.000 0.468 493 V N 3.206 123.014 119.914 -0.176 0.000 2.432 493 V HA 0.164 4.284 4.120 0.001 0.000 0.271 493 V C 1.255 177.204 176.094 -0.242 0.000 1.046 493 V CA -0.333 61.863 62.300 -0.173 0.000 0.945 493 V CB 1.101 32.858 31.823 -0.109 0.000 0.992 493 V HN 0.654 nan 8.190 nan 0.000 0.471 494 L N 2.851 123.856 121.223 -0.363 0.000 2.202 494 L HA 0.288 4.629 4.340 0.001 0.000 0.205 494 L C 0.714 177.272 176.870 -0.519 0.000 1.083 494 L CA 0.671 55.088 54.840 -0.705 0.000 0.790 494 L CB 0.193 41.455 42.059 -1.328 0.000 0.942 494 L HN 0.675 nan 8.230 nan 0.000 0.452 495 E N -0.044 120.012 120.200 -0.240 0.000 2.406 495 E HA 0.093 4.443 4.350 0.001 0.000 0.297 495 E C -1.239 175.401 176.600 0.067 0.000 0.917 495 E CA -0.368 56.004 56.400 -0.048 0.000 0.795 495 E CB 1.097 30.782 29.700 -0.025 0.000 1.285 495 E HN 0.160 nan 8.360 nan 0.000 0.400 496 D N 3.034 123.453 120.400 0.033 0.000 2.469 496 D HA 0.154 4.795 4.640 0.001 0.000 0.215 496 D C -0.258 176.053 176.300 0.018 0.000 1.154 496 D CA -0.242 53.771 54.000 0.022 0.000 0.832 496 D CB -0.033 40.759 40.800 -0.013 0.000 1.008 496 D HN 0.448 nan 8.370 nan 0.000 0.506 497 N N 0.441 119.168 118.700 0.044 0.000 2.708 497 N HA -0.224 4.517 4.740 0.001 0.000 0.249 497 N C 0.960 176.474 175.510 0.008 0.000 1.097 497 N CA 0.960 54.031 53.050 0.034 0.000 0.710 497 N CB -1.332 37.167 38.487 0.021 0.000 1.032 497 N HN 0.501 nan 8.380 nan 0.000 0.551 498 S N -1.159 114.545 115.700 0.008 0.000 2.399 498 S HA -0.032 4.439 4.470 0.001 0.000 0.231 498 S C 2.103 176.714 174.600 0.018 0.000 1.022 498 S CA 0.941 59.142 58.200 0.002 0.000 0.983 498 S CB -0.110 63.091 63.200 0.001 0.000 0.803 498 S HN 0.511 nan 8.310 nan 0.000 0.480 499 A N 2.147 124.987 122.820 0.034 0.000 1.877 499 A HA 0.035 4.356 4.320 0.001 0.000 0.216 499 A C 2.235 179.858 177.584 0.066 0.000 1.186 499 A CA 1.656 53.723 52.037 0.049 0.000 0.620 499 A CB -0.963 18.071 19.000 0.057 0.000 0.822 499 A HN 0.522 nan 8.150 nan 0.000 0.443 500 L N 0.332 121.597 121.223 0.070 0.000 2.083 500 L HA -0.152 4.189 4.340 0.001 0.000 0.209 500 L C 1.931 178.832 176.870 0.051 0.000 1.083 500 L CA 2.793 57.691 54.840 0.096 0.000 0.752 500 L CB -0.714 41.401 42.059 0.094 0.000 0.899 500 L HN 0.508 nan 8.230 nan 0.000 0.433 501 D N -0.589 119.812 120.400 0.002 0.000 2.123 501 D HA -0.275 4.365 4.640 0.001 0.000 0.196 501 D C 2.254 178.554 176.300 0.000 0.000 0.992 501 D CA 1.586 55.569 54.000 -0.029 0.000 0.833 501 D CB -0.093 40.679 40.800 -0.048 0.000 0.954 501 D HN 0.367 nan 8.370 nan 0.000 0.455 502 K N -0.502 119.911 120.400 0.023 0.000 2.026 502 K HA -0.162 4.159 4.320 0.001 0.000 0.208 502 K C 2.226 178.860 176.600 0.057 0.000 1.048 502 K CA 1.253 57.560 56.287 0.035 0.000 0.929 502 K CB -0.122 32.402 32.500 0.040 0.000 0.713 502 K HN 0.219 nan 8.250 nan 0.000 0.439 503 M N 0.779 120.435 119.600 0.093 0.000 2.086 503 M HA -0.166 4.314 4.480 0.001 0.000 0.261 503 M C 2.103 178.458 176.300 0.090 0.000 1.067 503 M CA 1.483 56.877 55.300 0.156 0.000 1.116 503 M CB -0.277 32.498 32.600 0.291 0.000 1.348 503 M HN 0.156 nan 8.290 nan 0.000 0.407 504 L N -0.142 121.083 121.223 0.002 0.000 2.353 504 L HA -0.210 4.131 4.340 0.001 0.000 0.220 504 L C 2.345 179.183 176.870 -0.054 0.000 1.133 504 L CA 0.920 55.694 54.840 -0.109 0.000 0.798 504 L CB -0.729 41.265 42.059 -0.109 0.000 0.922 504 L HN 0.452 nan 8.230 nan 0.000 0.445 505 Q N 0.128 119.923 119.800 -0.009 0.000 2.170 505 Q HA -0.127 4.214 4.340 0.001 0.000 0.203 505 Q C 0.967 176.978 176.000 0.019 0.000 0.976 505 Q CA 0.971 56.776 55.803 0.003 0.000 0.858 505 Q CB -0.014 28.732 28.738 0.014 0.000 0.907 505 Q HN 0.575 nan 8.270 nan 0.000 0.433 506 N N 0.132 118.854 118.700 0.036 0.000 2.322 506 N HA 0.085 4.825 4.740 0.001 0.000 0.216 506 N C -0.858 174.689 175.510 0.061 0.000 1.144 506 N CA 0.234 53.319 53.050 0.058 0.000 0.830 506 N CB 1.046 39.583 38.487 0.082 0.000 1.034 506 N HN -0.059 nan 8.380 nan 0.000 0.484 507 V N 0.708 120.636 119.914 0.022 0.000 2.709 507 V HA 0.211 4.331 4.120 0.001 0.000 0.308 507 V C -0.039 176.058 176.094 0.006 0.000 1.062 507 V CA -0.911 61.401 62.300 0.019 0.000 0.901 507 V CB 2.723 34.505 31.823 -0.067 0.000 1.003 507 V HN 0.011 nan 8.190 nan 0.000 0.425 508 Q N 4.190 124.008 119.800 0.030 0.000 2.534 508 Q HA 0.343 4.684 4.340 0.001 0.000 0.223 508 Q C -0.447 175.526 176.000 -0.045 0.000 1.239 508 Q CA -0.201 55.592 55.803 -0.017 0.000 0.936 508 Q CB 0.419 29.168 28.738 0.018 0.000 1.457 508 Q HN 0.527 nan 8.270 nan 0.000 0.547 509 M N 3.548 123.104 119.600 -0.073 0.000 2.250 509 M HA 0.332 4.813 4.480 0.001 0.000 0.344 509 M C -1.937 174.294 176.300 -0.115 0.000 1.150 509 M CA -2.294 52.953 55.300 -0.088 0.000 1.147 509 M CB -0.014 32.536 32.600 -0.083 0.000 1.498 509 M HN 0.286 nan 8.290 nan 0.000 0.461 510 P HA 0.247 nan 4.420 nan 0.000 0.276 510 P C -0.809 176.411 177.300 -0.134 0.000 1.252 510 P CA -0.343 62.670 63.100 -0.145 0.000 0.802 510 P CB 0.702 32.306 31.700 -0.160 0.000 1.035 511 S N -0.335 115.275 115.700 -0.150 0.000 2.704 511 S HA 0.624 5.095 4.470 0.001 0.000 0.305 511 S C -0.503 174.008 174.600 -0.148 0.000 1.107 511 S CA -0.776 57.349 58.200 -0.125 0.000 0.993 511 S CB 1.695 64.822 63.200 -0.122 0.000 1.110 511 S HN 0.527 nan 8.310 nan 0.000 0.534 512 K N 0.474 120.809 120.400 -0.109 0.000 2.426 512 K HA 0.412 4.733 4.320 0.001 0.000 0.254 512 K C -1.339 175.207 176.600 -0.089 0.000 0.936 512 K CA -0.535 55.690 56.287 -0.103 0.000 0.801 512 K CB 1.404 33.864 32.500 -0.067 0.000 1.139 512 K HN 0.733 nan 8.250 nan 0.000 0.424 513 K N 5.171 125.507 120.400 -0.107 0.000 2.244 513 K HA 0.350 4.671 4.320 0.001 0.000 0.260 513 K C -1.634 174.928 176.600 -0.064 0.000 0.951 513 K CA -0.828 55.406 56.287 -0.089 0.000 0.826 513 K CB 1.095 33.516 32.500 -0.131 0.000 1.108 513 K HN 0.490 nan 8.250 nan 0.000 0.433 514 L N 4.076 125.280 121.223 -0.031 0.000 2.349 514 L HA 0.535 4.876 4.340 0.001 0.000 0.278 514 L C -1.167 175.711 176.870 0.014 0.000 0.996 514 L CA 0.139 54.989 54.840 0.017 0.000 0.825 514 L CB 1.453 43.586 42.059 0.124 0.000 1.243 514 L HN 0.876 nan 8.230 nan 0.000 0.412 515 D N 2.605 122.857 120.400 -0.248 0.000 2.946 515 D HA 0.459 5.099 4.640 0.001 0.000 0.337 515 D C -1.700 174.292 176.300 -0.513 0.000 1.332 515 D CA -0.078 53.713 54.000 -0.348 0.000 0.935 515 D CB 1.948 42.498 40.800 -0.417 0.000 1.440 515 D HN 0.262 nan 8.370 nan 0.000 0.540 516 F N 0.112 119.753 119.950 -0.516 0.000 2.643 516 F HA 0.716 5.244 4.527 0.001 0.000 0.314 516 F C -0.925 174.963 175.800 0.147 0.000 1.096 516 F CA -0.994 56.823 58.000 -0.306 0.000 0.953 516 F CB 0.929 39.321 39.000 -1.014 0.000 1.345 516 F HN 0.267 nan 8.300 nan 0.000 0.468 517 I N -0.109 120.744 120.570 0.472 0.000 2.892 517 I HA 0.712 4.883 4.170 0.001 0.000 0.306 517 I C -1.471 174.890 176.117 0.407 0.000 1.078 517 I CA -1.256 60.239 61.300 0.326 0.000 1.032 517 I CB 2.528 40.669 38.000 0.236 0.000 1.229 517 I HN 0.654 nan 8.210 nan 0.000 0.435 518 I N 4.080 124.818 120.570 0.280 0.000 2.404 518 I HA 0.441 4.612 4.170 0.001 0.000 0.293 518 I C -0.860 175.402 176.117 0.241 0.000 0.992 518 I CA -0.646 60.814 61.300 0.267 0.000 1.149 518 I CB 1.942 40.056 38.000 0.190 0.000 1.315 518 I HN 0.379 nan 8.210 nan 0.000 0.446 519 L N 6.246 127.669 121.223 0.334 0.000 2.415 519 L HA 0.387 4.728 4.340 0.001 0.000 0.268 519 L C -0.451 176.559 176.870 0.234 0.000 0.984 519 L CA -0.604 54.396 54.840 0.266 0.000 0.853 519 L CB 1.225 43.463 42.059 0.298 0.000 1.215 519 L HN 0.646 nan 8.230 nan 0.000 0.419 520 N N 2.741 121.515 118.700 0.123 0.000 2.708 520 N HA -0.211 4.530 4.740 0.001 0.000 0.255 520 N C 0.377 175.932 175.510 0.075 0.000 1.046 520 N CA 1.233 54.333 53.050 0.083 0.000 0.715 520 N CB -0.513 38.014 38.487 0.068 0.000 0.895 520 N HN 0.838 nan 8.380 nan 0.000 0.545 521 E N -3.836 116.403 120.200 0.064 0.000 3.680 521 E HA -0.251 4.100 4.350 0.001 0.000 0.309 521 E C -0.341 176.266 176.600 0.012 0.000 0.793 521 E CA 1.851 58.273 56.400 0.037 0.000 1.083 521 E CB -1.353 28.359 29.700 0.020 0.000 1.548 521 E HN 0.575 nan 8.360 nan 0.000 0.456 522 T N 1.079 115.649 114.554 0.026 0.000 2.794 522 T HA 0.402 4.753 4.350 0.001 0.000 0.280 522 T C -0.115 174.466 174.700 -0.198 0.000 0.987 522 T CA -0.901 61.124 62.100 -0.125 0.000 0.993 522 T CB 1.139 69.893 68.868 -0.191 0.000 0.939 522 T HN 0.200 nan 8.240 nan 0.000 0.449 523 K N 2.508 122.718 120.400 -0.315 0.000 2.205 523 K HA 0.563 4.883 4.320 0.001 0.000 0.279 523 K C -1.313 175.015 176.600 -0.453 0.000 1.027 523 K CA -0.487 55.647 56.287 -0.255 0.000 0.932 523 K CB 0.740 32.948 32.500 -0.487 0.000 1.032 523 K HN 0.367 nan 8.250 nan 0.000 0.466 524 F N 1.631 121.674 119.950 0.154 0.000 2.529 524 F HA 0.353 4.881 4.527 0.001 0.000 0.320 524 F C -0.768 175.186 175.800 0.257 0.000 1.118 524 F CA -0.774 57.335 58.000 0.182 0.000 0.915 524 F CB 1.229 40.338 39.000 0.182 0.000 1.161 524 F HN 0.529 nan 8.300 nan 0.000 0.445 525 W N 3.399 124.884 121.300 0.308 0.000 2.375 525 W HA 0.536 5.197 4.660 0.001 0.000 0.336 525 W C -0.668 176.105 176.519 0.424 0.000 1.160 525 W CA -0.617 56.930 57.345 0.335 0.000 1.266 525 W CB 0.661 30.227 29.460 0.177 0.000 1.195 525 W HN 0.437 nan 8.180 nan 0.000 0.599 526 Y N -0.577 120.095 120.300 0.619 0.000 2.625 526 Y HA 0.666 5.217 4.550 0.001 0.000 0.338 526 Y C -1.066 175.071 175.900 0.395 0.000 1.123 526 Y CA -1.876 56.569 58.100 0.576 0.000 1.046 526 Y CB 1.121 40.071 38.460 0.816 0.000 1.299 526 Y HN 0.565 nan 8.280 nan 0.000 0.464 527 Q N 1.958 122.014 119.800 0.426 0.000 2.421 527 Q HA 0.756 5.097 4.340 0.001 0.000 0.280 527 Q C -1.808 174.319 176.000 0.212 0.000 1.085 527 Q CA -1.181 54.739 55.803 0.194 0.000 0.807 527 Q CB 3.379 32.196 28.738 0.132 0.000 1.405 527 Q HN 0.851 nan 8.270 nan 0.000 0.419 528 M N 2.309 121.951 119.600 0.069 0.000 2.327 528 M HA 0.438 4.919 4.480 0.001 0.000 0.298 528 M C -1.279 174.948 176.300 -0.122 0.000 1.065 528 M CA -0.951 54.325 55.300 -0.040 0.000 0.916 528 M CB 2.155 34.688 32.600 -0.112 0.000 1.630 528 M HN 0.603 nan 8.290 nan 0.000 0.442 529 I N 5.180 125.674 120.570 -0.126 0.000 2.301 529 I HA 0.343 4.514 4.170 0.001 0.000 0.292 529 I C -0.377 175.591 176.117 -0.247 0.000 1.046 529 I CA -0.259 60.943 61.300 -0.163 0.000 1.282 529 I CB 0.202 38.127 38.000 -0.126 0.000 1.409 529 I HN 0.626 nan 8.210 nan 0.000 0.484 530 L N 8.385 129.409 121.223 -0.331 0.000 2.307 530 L HA 0.456 4.797 4.340 0.001 0.000 0.282 530 L C -2.158 174.519 176.870 -0.322 0.000 1.051 530 L CA -1.802 52.747 54.840 -0.485 0.000 0.804 530 L CB 1.061 42.647 42.059 -0.788 0.000 1.197 530 L HN 0.264 nan 8.230 nan 0.000 0.431 531 P HA 0.088 nan 4.420 nan 0.000 0.269 531 P C -2.496 174.752 177.300 -0.087 0.000 1.217 531 P CA -0.875 62.144 63.100 -0.135 0.000 0.783 531 P CB -0.151 31.520 31.700 -0.049 0.000 0.898 532 P HA -0.023 nan 4.420 nan 0.000 0.267 532 P C -0.317 176.899 177.300 -0.139 0.000 1.200 532 P CA 0.737 63.696 63.100 -0.236 0.000 0.772 532 P CB -0.161 31.369 31.700 -0.283 0.000 0.855 533 H N -0.913 118.194 119.070 0.062 0.000 2.791 533 H HA -0.209 4.348 4.556 0.001 0.000 0.302 533 H C 0.107 175.497 175.328 0.103 0.000 1.198 533 H CA -0.052 56.037 56.048 0.068 0.000 1.145 533 H CB -2.294 27.501 29.762 0.056 0.000 1.385 533 H HN 0.392 nan 8.280 nan 0.000 0.409 534 F N 2.655 122.598 119.950 -0.011 0.000 2.604 534 F HA 0.071 4.599 4.527 0.001 0.000 0.393 534 F C 0.591 176.406 175.800 0.025 0.000 1.043 534 F CA 0.051 58.000 58.000 -0.085 0.000 1.227 534 F CB 0.461 39.301 39.000 -0.266 0.000 1.016 534 F HN 0.163 nan 8.300 nan 0.000 0.556 535 D N 6.547 126.654 120.400 -0.488 0.000 2.461 535 D HA 0.124 4.765 4.640 0.001 0.000 0.240 535 D C 0.665 176.590 176.300 -0.626 0.000 1.094 535 D CA -0.542 53.213 54.000 -0.408 0.000 0.868 535 D CB 0.896 41.629 40.800 -0.113 0.000 1.062 535 D HN 0.689 nan 8.370 nan 0.000 0.530 536 K N 1.040 120.985 120.400 -0.760 0.000 2.520 536 K HA -0.132 4.189 4.320 0.001 0.000 0.197 536 K C 1.160 177.732 176.600 -0.046 0.000 1.043 536 K CA 0.995 57.034 56.287 -0.413 0.000 0.944 536 K CB -0.157 32.252 32.500 -0.151 0.000 0.770 536 K HN 0.225 nan 8.250 nan 0.000 0.480 537 S N -0.002 115.644 115.700 -0.091 0.000 2.528 537 S HA 0.074 4.545 4.470 0.001 0.000 0.219 537 S C 0.417 174.991 174.600 -0.044 0.000 0.985 537 S CA -0.366 57.812 58.200 -0.037 0.000 0.914 537 S CB 0.050 63.220 63.200 -0.050 0.000 0.776 537 S HN 0.215 nan 8.310 nan 0.000 0.526 538 K N 1.023 121.379 120.400 -0.073 0.000 2.106 538 K HA 0.451 4.772 4.320 0.001 0.000 0.246 538 K C -0.589 175.944 176.600 -0.112 0.000 0.987 538 K CA -0.829 55.358 56.287 -0.167 0.000 0.904 538 K CB 0.605 32.885 32.500 -0.367 0.000 1.071 538 K HN -0.068 nan 8.250 nan 0.000 0.453 539 K N 2.189 122.464 120.400 -0.208 0.000 2.240 539 K HA 0.282 4.602 4.320 0.001 0.000 0.271 539 K C -1.057 175.416 176.600 -0.212 0.000 1.018 539 K CA -0.306 55.922 56.287 -0.098 0.000 0.874 539 K CB 0.767 33.211 32.500 -0.094 0.000 1.098 539 K HN 0.464 nan 8.250 nan 0.000 0.458 540 Y N 2.968 123.299 120.300 0.052 0.000 2.446 540 Y HA 0.316 4.867 4.550 0.001 0.000 0.338 540 Y C -1.771 174.066 175.900 -0.104 0.000 1.055 540 Y CA -2.201 55.906 58.100 0.010 0.000 1.101 540 Y CB 1.485 40.020 38.460 0.125 0.000 1.221 540 Y HN 0.450 nan 8.280 nan 0.000 0.460 541 P HA 0.207 nan 4.420 nan 0.000 0.274 541 P C -1.203 175.942 177.300 -0.258 0.000 1.237 541 P CA -0.259 62.548 63.100 -0.488 0.000 0.793 541 P CB 1.770 32.783 31.700 -1.144 0.000 0.977 542 L N 1.861 122.966 121.223 -0.196 0.000 2.436 542 L HA 0.515 4.856 4.340 0.001 0.000 0.268 542 L C -1.365 175.685 176.870 0.301 0.000 0.974 542 L CA -1.143 53.739 54.840 0.069 0.000 0.826 542 L CB 1.890 43.992 42.059 0.071 0.000 1.291 542 L HN 0.149 nan 8.230 nan 0.000 0.406 543 L N 5.331 126.753 121.223 0.330 0.000 2.298 543 L HA 0.507 4.848 4.340 0.001 0.000 0.284 543 L C -1.237 175.864 176.870 0.385 0.000 1.013 543 L CA -0.316 54.776 54.840 0.420 0.000 0.824 543 L CB 1.528 43.796 42.059 0.348 0.000 1.221 543 L HN 0.634 nan 8.230 nan 0.000 0.418 544 L N 5.230 126.720 121.223 0.444 0.000 2.283 544 L HA 0.382 4.722 4.340 0.001 0.000 0.287 544 L C -0.541 176.550 176.870 0.369 0.000 1.073 544 L CA 0.202 55.285 54.840 0.405 0.000 0.822 544 L CB 0.477 42.807 42.059 0.451 0.000 1.186 544 L HN 0.644 nan 8.230 nan 0.000 0.436 545 D N 4.441 125.037 120.400 0.326 0.000 2.313 545 D HA 0.280 4.921 4.640 0.001 0.000 0.239 545 D C -0.981 175.381 176.300 0.103 0.000 1.142 545 D CA 0.067 54.174 54.000 0.179 0.000 0.847 545 D CB 1.286 42.268 40.800 0.303 0.000 1.082 545 D HN 0.333 nan 8.370 nan 0.000 0.480 546 V N 5.293 125.194 119.914 -0.022 0.000 2.914 546 V HA 0.478 4.599 4.120 0.001 0.000 0.314 546 V C -1.058 175.102 176.094 0.111 0.000 1.084 546 V CA -0.458 61.896 62.300 0.091 0.000 0.963 546 V CB 1.882 33.767 31.823 0.104 0.000 1.025 546 V HN 0.678 nan 8.190 nan 0.000 0.432 547 Y N 4.728 125.088 120.300 0.100 0.000 3.183 547 Y HA 0.568 5.119 4.550 0.001 0.000 0.200 547 Y C 1.562 177.583 175.900 0.201 0.000 0.912 547 Y CA 1.235 59.421 58.100 0.143 0.000 1.642 547 Y CB 0.318 38.844 38.460 0.110 0.000 1.447 547 Y HN 1.116 nan 8.280 nan 0.000 0.421 548 A N 0.870 123.820 122.820 0.217 0.000 2.899 548 A HA -0.165 4.155 4.320 0.001 0.000 0.257 548 A C 0.871 178.318 177.584 -0.228 0.000 1.335 548 A CA 0.895 52.986 52.037 0.089 0.000 0.924 548 A CB -2.494 16.598 19.000 0.154 0.000 1.105 548 A HN 0.934 nan 8.150 nan 0.000 0.765 549 G N -0.479 107.996 108.800 -0.541 0.000 2.634 549 G HA2 0.501 4.462 3.960 0.001 0.000 0.255 549 G HA3 0.501 4.462 3.960 0.001 0.000 0.255 549 G C -1.896 172.723 174.900 -0.467 0.000 1.205 549 G CA -0.636 43.709 45.100 -1.258 0.000 0.884 549 G HN 0.394 nan 8.290 nan 0.000 0.549 550 P HA 0.030 nan 4.420 nan 0.000 0.264 550 P C 0.635 177.832 177.300 -0.171 0.000 1.193 550 P CA 0.177 63.041 63.100 -0.393 0.000 0.763 550 P CB 0.843 31.985 31.700 -0.929 0.000 0.810 551 C N 2.073 121.323 119.300 -0.083 0.000 4.417 551 C HA -0.147 4.313 4.460 0.001 0.000 0.284 551 C C 1.072 176.091 174.990 0.047 0.000 1.379 551 C CA 1.209 60.154 59.018 -0.122 0.000 1.918 551 C CB -2.646 24.902 27.740 -0.320 0.000 1.280 551 C HN 0.831 nan 8.230 nan 0.000 0.783 552 S N 0.014 115.795 115.700 0.135 0.000 2.632 552 S HA 0.590 5.061 4.470 0.001 0.000 0.267 552 S C -0.636 174.112 174.600 0.247 0.000 1.276 552 S CA 0.084 58.430 58.200 0.243 0.000 0.998 552 S CB 1.679 65.085 63.200 0.344 0.000 0.953 552 S HN 0.811 nan 8.310 nan 0.000 0.547 553 Q N 0.101 120.069 119.800 0.279 0.000 2.309 553 Q HA 0.363 4.704 4.340 0.001 0.000 0.254 553 Q C -0.749 175.370 176.000 0.198 0.000 0.938 553 Q CA -0.605 55.361 55.803 0.271 0.000 0.789 553 Q CB 1.051 30.013 28.738 0.373 0.000 1.313 553 Q HN 0.696 nan 8.270 nan 0.000 0.438 554 K N 1.165 121.681 120.400 0.193 0.000 2.374 554 K HA 0.338 4.659 4.320 0.001 0.000 0.202 554 K C -0.467 176.237 176.600 0.173 0.000 1.040 554 K CA 0.264 56.655 56.287 0.174 0.000 1.085 554 K CB 1.566 34.193 32.500 0.211 0.000 0.873 554 K HN 0.502 nan 8.250 nan 0.000 0.539 555 A N 2.754 125.688 122.820 0.189 0.000 2.316 555 A HA 0.431 4.752 4.320 0.001 0.000 0.324 555 A C -0.784 176.874 177.584 0.124 0.000 1.375 555 A CA -0.526 51.629 52.037 0.196 0.000 0.882 555 A CB 0.151 19.331 19.000 0.301 0.000 1.152 555 A HN 0.232 nan 8.150 nan 0.000 0.512 556 D N -0.069 120.373 120.400 0.071 0.000 2.752 556 D HA 0.413 5.054 4.640 0.001 0.000 0.313 556 D C 0.419 176.720 176.300 0.001 0.000 1.225 556 D CA 0.292 54.314 54.000 0.036 0.000 0.976 556 D CB 0.268 41.085 40.800 0.028 0.000 1.443 556 D HN 0.160 nan 8.370 nan 0.000 0.515 557 T N -2.239 112.323 114.554 0.013 0.000 3.206 557 T HA 0.326 4.676 4.350 0.001 0.000 0.253 557 T C 0.427 175.075 174.700 -0.087 0.000 1.042 557 T CA -0.386 61.718 62.100 0.006 0.000 0.931 557 T CB -0.713 68.206 68.868 0.085 0.000 1.029 557 T HN 0.263 nan 8.240 nan 0.000 0.564 558 V N 2.475 122.237 119.914 -0.254 0.000 2.614 558 V HA 0.342 4.462 4.120 0.001 0.000 0.291 558 V C 0.058 176.086 176.094 -0.110 0.000 1.049 558 V CA -0.999 61.123 62.300 -0.298 0.000 1.038 558 V CB 0.240 31.764 31.823 -0.497 0.000 0.980 558 V HN 0.563 nan 8.190 nan 0.000 0.481 559 F N 6.320 126.171 119.950 -0.165 0.000 2.420 559 F HA 0.569 5.097 4.527 0.001 0.000 0.352 559 F C 0.468 176.211 175.800 -0.095 0.000 1.108 559 F CA -0.192 57.738 58.000 -0.117 0.000 1.162 559 F CB 0.257 39.196 39.000 -0.101 0.000 1.118 559 F HN 0.428 nan 8.300 nan 0.000 0.510 560 R N 6.545 126.567 120.500 -0.797 0.000 2.744 560 R HA 0.556 4.897 4.340 0.001 0.000 0.279 560 R C -1.641 174.256 176.300 -0.672 0.000 0.977 560 R CA -1.101 54.680 56.100 -0.532 0.000 0.906 560 R CB 2.219 32.364 30.300 -0.258 0.000 1.197 560 R HN 0.660 nan 8.270 nan 0.000 0.463 561 L N 4.004 125.018 121.223 -0.348 0.000 2.324 561 L HA 0.403 4.743 4.340 0.001 0.000 0.274 561 L C -0.732 176.145 176.870 0.011 0.000 1.012 561 L CA -0.652 54.044 54.840 -0.241 0.000 0.859 561 L CB 0.657 42.712 42.059 -0.008 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.279 118.910 118.700 -0.116 0.000 3.418 562 N HA 0.164 4.904 4.740 0.001 0.000 0.316 562 N C 0.187 175.360 175.510 -0.562 0.000 1.601 562 N CA -0.893 51.980 53.050 -0.295 0.000 0.805 562 N CB 0.184 38.611 38.487 -0.100 0.000 1.873 562 N HN 0.284 nan 8.380 nan 0.000 0.615 563 W N 0.692 121.364 121.300 -1.046 0.000 2.321 563 W HA 0.073 4.734 4.660 0.001 0.000 0.306 563 W C 2.060 178.527 176.519 -0.086 0.000 1.217 563 W CA 3.014 60.003 57.345 -0.594 0.000 1.257 563 W CB -1.028 28.242 29.460 -0.317 0.000 1.145 563 W HN 0.712 nan 8.180 nan 0.000 0.509 564 A N -0.702 122.108 122.820 -0.016 0.000 1.972 564 A HA -0.204 4.117 4.320 0.001 0.000 0.219 564 A C 1.937 179.429 177.584 -0.153 0.000 1.169 564 A CA 2.411 54.376 52.037 -0.119 0.000 0.635 564 A CB -1.249 17.761 19.000 0.017 0.000 0.810 564 A HN 0.301 nan 8.150 nan 0.000 0.446 565 T N -1.280 113.199 114.554 -0.126 0.000 2.746 565 T HA -0.194 4.157 4.350 0.001 0.000 0.267 565 T C 1.804 176.529 174.700 0.041 0.000 1.039 565 T CA 1.741 63.743 62.100 -0.164 0.000 1.142 565 T CB -0.453 68.154 68.868 -0.435 0.000 0.866 565 T HN 0.707 nan 8.240 nan 0.000 0.444 566 Y N 1.951 122.334 120.300 0.138 0.000 2.200 566 Y HA 0.016 4.567 4.550 0.001 0.000 0.290 566 Y C 1.933 177.819 175.900 -0.022 0.000 1.137 566 Y CA 0.873 59.085 58.100 0.187 0.000 1.163 566 Y CB -0.723 37.842 38.460 0.174 0.000 0.988 566 Y HN 0.111 nan 8.280 nan 0.000 0.518 567 L N 0.238 121.032 121.223 -0.714 0.000 2.042 567 L HA -0.219 4.121 4.340 0.001 0.000 0.210 567 L C 2.808 179.430 176.870 -0.414 0.000 1.076 567 L CA 1.354 55.729 54.840 -0.775 0.000 0.749 567 L CB -0.970 40.682 42.059 -0.678 0.000 0.893 567 L HN 0.423 nan 8.230 nan 0.000 0.432 568 A N -1.242 121.416 122.820 -0.270 0.000 1.874 568 A HA -0.169 4.152 4.320 0.001 0.000 0.214 568 A C 2.516 180.026 177.584 -0.123 0.000 1.189 568 A CA 1.669 53.602 52.037 -0.174 0.000 0.615 568 A CB -0.614 18.284 19.000 -0.170 0.000 0.830 568 A HN 0.318 nan 8.150 nan 0.000 0.443 569 S N -1.140 114.504 115.700 -0.093 0.000 2.355 569 S HA -0.117 4.354 4.470 0.001 0.000 0.222 569 S C 1.976 176.583 174.600 0.011 0.000 1.031 569 S CA 2.285 60.478 58.200 -0.012 0.000 0.993 569 S CB -0.364 62.888 63.200 0.087 0.000 0.859 569 S HN 0.577 nan 8.310 nan 0.000 0.453 570 T N 1.072 115.602 114.554 -0.040 0.000 3.033 570 T HA 0.188 4.539 4.350 0.001 0.000 0.248 570 T C 1.344 176.007 174.700 -0.063 0.000 1.040 570 T CA 0.483 62.580 62.100 -0.005 0.000 1.133 570 T CB -0.043 68.899 68.868 0.123 0.000 0.895 570 T HN 0.309 nan 8.240 nan 0.000 0.465 571 E N 1.224 121.297 120.200 -0.211 0.000 2.474 571 E HA 0.177 4.528 4.350 0.001 0.000 0.195 571 E C -0.028 176.556 176.600 -0.027 0.000 1.039 571 E CA -0.065 56.262 56.400 -0.122 0.000 0.881 571 E CB -0.208 29.362 29.700 -0.217 0.000 0.970 571 E HN 0.526 nan 8.360 nan 0.000 0.486 572 N N 0.565 119.257 118.700 -0.013 0.000 2.754 572 N HA -0.190 4.550 4.740 0.001 0.000 0.248 572 N C -0.828 174.758 175.510 0.127 0.000 1.093 572 N CA 0.215 53.324 53.050 0.098 0.000 0.699 572 N CB -1.239 37.358 38.487 0.184 0.000 1.016 572 N HN 0.185 nan 8.380 nan 0.000 0.552 573 I N 0.928 121.503 120.570 0.009 0.000 2.359 573 I HA 0.338 4.509 4.170 0.001 0.000 0.294 573 I C 0.581 176.676 176.117 -0.038 0.000 0.987 573 I CA -0.754 60.560 61.300 0.024 0.000 1.225 573 I CB 1.266 39.294 38.000 0.046 0.000 1.366 573 I HN 0.041 nan 8.210 nan 0.000 0.466 574 I N 6.585 127.141 120.570 -0.023 0.000 2.416 574 I HA 0.145 4.316 4.170 0.001 0.000 0.288 574 I C -0.425 175.677 176.117 -0.025 0.000 1.051 574 I CA -0.323 60.923 61.300 -0.091 0.000 1.375 574 I CB 0.895 38.847 38.000 -0.079 0.000 1.407 574 I HN 0.194 nan 8.210 nan 0.000 0.516 575 V N 6.936 126.823 119.914 -0.044 0.000 2.334 575 V HA 0.599 4.720 4.120 0.001 0.000 0.281 575 V C 0.352 176.475 176.094 0.048 0.000 1.016 575 V CA -0.437 61.889 62.300 0.043 0.000 0.832 575 V CB 1.137 32.985 31.823 0.041 0.000 0.999 575 V HN 0.834 nan 8.190 nan 0.000 0.439 576 A N 4.068 126.945 122.820 0.096 0.000 2.337 576 A HA 0.945 5.266 4.320 0.001 0.000 0.331 576 A C -0.155 177.583 177.584 0.256 0.000 1.137 576 A CA -0.504 51.592 52.037 0.097 0.000 0.807 576 A CB 1.654 20.573 19.000 -0.135 0.000 1.250 576 A HN 0.685 nan 8.150 nan 0.000 0.468 577 S N -0.163 115.738 115.700 0.333 0.000 2.541 577 S HA 0.734 5.205 4.470 0.001 0.000 0.280 577 S C -1.480 173.473 174.600 0.588 0.000 1.112 577 S CA -0.302 58.136 58.200 0.398 0.000 0.925 577 S CB 1.303 64.677 63.200 0.290 0.000 1.067 577 S HN 0.750 nan 8.310 nan 0.000 0.479 578 F N 1.843 122.024 119.950 0.386 0.000 2.556 578 F HA 0.512 5.039 4.527 0.001 0.000 0.314 578 F C -1.503 174.499 175.800 0.336 0.000 1.106 578 F CA -0.806 57.446 58.000 0.421 0.000 0.911 578 F CB 1.539 40.758 39.000 0.365 0.000 1.190 578 F HN 0.390 nan 8.300 nan 0.000 0.448 579 D N 4.323 124.514 120.400 -0.347 0.000 2.454 579 D HA 0.399 5.039 4.640 0.001 0.000 0.225 579 D C 0.278 176.249 176.300 -0.549 0.000 1.081 579 D CA 0.098 53.960 54.000 -0.230 0.000 0.864 579 D CB 1.527 42.365 40.800 0.063 0.000 1.040 579 D HN 0.775 nan 8.370 nan 0.000 0.517 580 G N 1.270 109.821 108.800 -0.415 0.000 2.736 580 G HA2 0.318 4.279 3.960 0.001 0.000 0.229 580 G HA3 0.318 4.279 3.960 0.001 0.000 0.229 580 G C 0.077 174.931 174.900 -0.077 0.000 1.380 580 G CA -0.738 44.117 45.100 -0.409 0.000 1.040 580 G HN 0.285 nan 8.290 nan 0.000 0.568 581 R N -0.629 119.789 120.500 -0.137 0.000 2.585 581 R HA 0.352 4.693 4.340 0.001 0.000 0.275 581 R C 1.251 177.624 176.300 0.123 0.000 1.018 581 R CA 1.507 57.660 56.100 0.088 0.000 1.072 581 R CB 0.395 30.723 30.300 0.047 0.000 0.953 581 R HN 1.084 nan 8.270 nan 0.000 0.419 582 G N 1.143 110.024 108.800 0.135 0.000 2.234 582 G HA2 -0.331 3.629 3.960 0.001 0.000 0.235 582 G HA3 -0.331 3.629 3.960 0.001 0.000 0.235 582 G C 0.175 175.109 174.900 0.056 0.000 0.997 582 G CA 0.152 45.314 45.100 0.103 0.000 0.623 582 G HN 0.737 nan 8.290 nan 0.000 0.514 583 S N 0.436 116.179 115.700 0.073 0.000 2.589 583 S HA 0.640 5.110 4.470 0.001 0.000 0.265 583 S C 0.910 175.510 174.600 -0.001 0.000 1.342 583 S CA 0.577 58.815 58.200 0.063 0.000 1.005 583 S CB 1.691 64.955 63.200 0.107 0.000 0.909 583 S HN 1.686 nan 8.310 nan 0.000 0.555 584 G N -0.786 107.976 108.800 -0.063 0.000 2.613 584 G HA2 0.492 4.453 3.960 0.001 0.000 0.303 584 G HA3 0.492 4.453 3.960 0.001 0.000 0.303 584 G C -0.910 173.849 174.900 -0.234 0.000 1.312 584 G CA -0.998 43.899 45.100 -0.338 0.000 1.036 584 G HN 0.957 nan 8.290 nan 0.000 0.513 585 Y N -2.341 117.975 120.300 0.026 0.000 4.604 585 Y HA -0.223 4.328 4.550 0.001 0.000 0.230 585 Y C 1.427 177.343 175.900 0.027 0.000 1.066 585 Y CA 1.160 59.277 58.100 0.027 0.000 1.990 585 Y CB -2.163 36.326 38.460 0.049 0.000 1.619 585 Y HN 0.537 nan 8.280 nan 0.000 0.649 586 Q N -0.082 119.742 119.800 0.041 0.000 2.086 586 Q HA 0.510 4.851 4.340 0.001 0.000 0.220 586 Q C 0.921 176.827 176.000 -0.155 0.000 0.792 586 Q CA 0.206 56.043 55.803 0.058 0.000 1.062 586 Q CB 1.644 30.414 28.738 0.052 0.000 1.198 586 Q HN 0.575 nan 8.270 nan 0.000 0.466 587 G N 0.785 109.367 108.800 -0.362 0.000 2.663 587 G HA2 -0.178 3.783 3.960 0.001 0.000 0.686 587 G HA3 -0.178 3.783 3.960 0.001 0.000 0.686 587 G C -0.497 174.044 174.900 -0.597 0.000 1.246 587 G CA -0.562 44.059 45.100 -0.800 0.000 0.795 587 G HN 0.104 nan 8.290 nan 0.000 0.627 588 D N 0.162 120.156 120.400 -0.677 0.000 2.219 588 D HA -0.055 4.585 4.640 0.001 0.000 0.205 588 D C 2.244 178.271 176.300 -0.455 0.000 0.970 588 D CA 1.409 54.962 54.000 -0.744 0.000 0.851 588 D CB 0.031 40.288 40.800 -0.905 0.000 0.943 588 D HN 0.518 nan 8.370 nan 0.000 0.488 589 K N 0.896 121.083 120.400 -0.355 0.000 2.074 589 K HA -0.107 4.214 4.320 0.001 0.000 0.209 589 K C 1.925 178.460 176.600 -0.108 0.000 1.048 589 K CA 1.053 57.228 56.287 -0.188 0.000 0.926 589 K CB -0.348 32.051 32.500 -0.167 0.000 0.713 589 K HN 0.147 nan 8.250 nan 0.000 0.444 590 I N -0.426 120.069 120.570 -0.126 0.000 2.296 590 I HA -0.146 4.025 4.170 0.001 0.000 0.242 590 I C 2.551 178.673 176.117 0.009 0.000 1.087 590 I CA 1.048 62.349 61.300 0.002 0.000 1.393 590 I CB -0.171 37.844 38.000 0.024 0.000 1.093 590 I HN 0.265 nan 8.210 nan 0.000 0.421 591 M N 0.149 119.688 119.600 -0.103 0.000 2.117 591 M HA -0.251 4.230 4.480 0.001 0.000 0.262 591 M C 1.961 178.324 176.300 0.106 0.000 1.065 591 M CA 2.017 57.290 55.300 -0.045 0.000 1.114 591 M CB -0.340 32.149 32.600 -0.185 0.000 1.361 591 M HN 0.271 nan 8.290 nan 0.000 0.408 592 H N -0.762 118.218 119.070 -0.151 0.000 2.547 592 H HA 0.142 4.699 4.556 0.001 0.000 0.266 592 H C 1.848 177.195 175.328 0.032 0.000 0.988 592 H CA 0.109 56.070 56.048 -0.146 0.000 1.147 592 H CB 0.135 29.716 29.762 -0.301 0.000 1.365 592 H HN 0.534 nan 8.280 nan 0.000 0.589 593 A N 1.558 124.489 122.820 0.184 0.000 2.024 593 A HA -0.136 4.184 4.320 0.001 0.000 0.220 593 A C 2.025 179.815 177.584 0.344 0.000 1.164 593 A CA 1.100 53.268 52.037 0.219 0.000 0.643 593 A CB -0.652 18.445 19.000 0.160 0.000 0.806 593 A HN 0.579 nan 8.150 nan 0.000 0.451 594 I N -3.194 117.545 120.570 0.282 0.000 3.891 594 I HA 0.174 4.345 4.170 0.001 0.000 0.331 594 I C 0.332 176.528 176.117 0.132 0.000 1.406 594 I CA -0.520 60.895 61.300 0.191 0.000 1.139 594 I CB -0.583 37.498 38.000 0.136 0.000 1.056 594 I HN 0.201 nan 8.210 nan 0.000 0.399 595 N N 3.018 121.837 118.700 0.198 0.000 2.412 595 N HA -0.063 4.678 4.740 0.001 0.000 0.258 595 N C 0.213 175.747 175.510 0.040 0.000 1.236 595 N CA 0.273 53.438 53.050 0.191 0.000 0.882 595 N CB 0.356 38.909 38.487 0.109 0.000 1.066 595 N HN 0.413 nan 8.380 nan 0.000 0.465 596 R N 0.624 121.129 120.500 0.009 0.000 4.000 596 R HA -0.200 4.140 4.340 0.001 0.000 0.348 596 R C -0.291 175.889 176.300 -0.199 0.000 1.204 596 R CA 0.860 56.924 56.100 -0.061 0.000 0.987 596 R CB -0.914 29.367 30.300 -0.032 0.000 1.446 596 R HN 0.574 nan 8.270 nan 0.000 0.555 597 R N 0.616 120.978 120.500 -0.231 0.000 2.711 597 R HA 0.343 4.684 4.340 0.001 0.000 0.350 597 R C -0.457 175.772 176.300 -0.117 0.000 1.146 597 R CA -0.197 55.611 56.100 -0.486 0.000 1.190 597 R CB 0.573 30.573 30.300 -0.500 0.000 1.312 597 R HN 0.071 nan 8.270 nan 0.000 0.635 598 L N -0.381 120.862 121.223 0.034 0.000 2.483 598 L HA 0.216 4.557 4.340 0.001 0.000 0.275 598 L C 1.306 178.418 176.870 0.404 0.000 1.220 598 L CA 0.951 55.854 54.840 0.105 0.000 0.833 598 L CB 0.504 42.392 42.059 -0.286 0.000 1.102 598 L HN 0.698 nan 8.230 nan 0.000 0.490 599 G N 0.802 109.882 108.800 0.467 0.000 2.136 599 G HA2 -0.291 3.670 3.960 0.001 0.000 0.242 599 G HA3 -0.291 3.670 3.960 0.001 0.000 0.242 599 G C 0.467 175.468 174.900 0.168 0.000 0.989 599 G CA 0.599 45.933 45.100 0.390 0.000 0.682 599 G HN 0.847 nan 8.290 nan 0.000 0.522 600 T N -3.562 111.042 114.554 0.084 0.000 3.409 600 T HA 0.452 4.803 4.350 0.001 0.000 0.188 600 T C 1.675 176.371 174.700 -0.006 0.000 0.929 600 T CA 0.945 63.001 62.100 -0.074 0.000 1.184 600 T CB -0.063 68.577 68.868 -0.381 0.000 1.570 600 T HN 0.138 nan 8.240 nan 0.000 0.367 601 F N 3.506 123.490 119.950 0.057 0.000 2.171 601 F HA 0.093 4.621 4.527 0.001 0.000 0.300 601 F C 2.786 178.610 175.800 0.040 0.000 1.090 601 F CA 1.101 59.121 58.000 0.035 0.000 1.293 601 F CB -0.690 38.325 39.000 0.025 0.000 1.013 601 F HN 0.499 nan 8.300 nan 0.000 0.486 602 E N 0.669 121.017 120.200 0.246 0.000 2.204 602 E HA -0.111 4.240 4.350 0.001 0.000 0.194 602 E C 2.101 178.798 176.600 0.162 0.000 0.989 602 E CA 1.308 57.821 56.400 0.189 0.000 0.824 602 E CB -1.021 28.790 29.700 0.184 0.000 0.756 602 E HN 0.297 nan 8.360 nan 0.000 0.477 603 V N 1.658 121.650 119.914 0.129 0.000 2.346 603 V HA -0.192 3.929 4.120 0.001 0.000 0.244 603 V C 2.297 178.428 176.094 0.062 0.000 1.037 603 V CA 2.051 64.383 62.300 0.054 0.000 1.029 603 V CB -0.533 31.277 31.823 -0.021 0.000 0.663 603 V HN 0.207 nan 8.190 nan 0.000 0.454 604 E N 0.131 120.386 120.200 0.091 0.000 2.110 604 E HA -0.237 4.114 4.350 0.001 0.000 0.193 604 E C 1.868 178.505 176.600 0.062 0.000 0.988 604 E CA 1.491 57.942 56.400 0.085 0.000 0.804 604 E CB -0.179 29.605 29.700 0.141 0.000 0.745 604 E HN 0.567 nan 8.360 nan 0.000 0.458 605 D N 0.271 120.722 120.400 0.086 0.000 2.219 605 D HA -0.119 4.521 4.640 0.001 0.000 0.205 605 D C 1.932 178.266 176.300 0.058 0.000 0.970 605 D CA 0.699 54.737 54.000 0.064 0.000 0.851 605 D CB -0.047 40.815 40.800 0.103 0.000 0.943 605 D HN 0.103 nan 8.370 nan 0.000 0.488 606 Q N 0.110 119.984 119.800 0.124 0.000 2.083 606 Q HA -0.011 4.330 4.340 0.001 0.000 0.198 606 Q C 2.539 178.584 176.000 0.075 0.000 0.969 606 Q CA 0.495 56.373 55.803 0.126 0.000 0.838 606 Q CB -0.079 28.742 28.738 0.139 0.000 0.900 606 Q HN 0.416 nan 8.270 nan 0.000 0.436 607 I N 0.821 121.447 120.570 0.094 0.000 2.179 607 I HA -0.235 3.936 4.170 0.001 0.000 0.242 607 I C 2.400 178.488 176.117 -0.048 0.000 1.088 607 I CA 0.947 62.340 61.300 0.156 0.000 1.357 607 I CB -0.210 37.868 38.000 0.130 0.000 1.051 607 I HN 0.092 nan 8.210 nan 0.000 0.409 608 E N 1.272 121.394 120.200 -0.130 0.000 2.085 608 E HA -0.215 4.136 4.350 0.001 0.000 0.194 608 E C 2.238 178.563 176.600 -0.459 0.000 0.994 608 E CA 1.729 57.987 56.400 -0.237 0.000 0.801 608 E CB -0.276 29.302 29.700 -0.203 0.000 0.743 608 E HN 0.457 nan 8.360 nan 0.000 0.453 609 A N 0.851 123.247 122.820 -0.707 0.000 1.877 609 A HA -0.084 4.237 4.320 0.001 0.000 0.216 609 A C 2.435 179.305 177.584 -1.190 0.000 1.186 609 A CA 2.359 53.637 52.037 -1.266 0.000 0.620 609 A CB -0.818 17.137 19.000 -1.741 0.000 0.822 609 A HN 0.311 nan 8.150 nan 0.000 0.443 610 A N -0.380 122.121 122.820 -0.531 0.000 1.902 610 A HA -0.189 4.132 4.320 0.001 0.000 0.217 610 A C 2.254 179.652 177.584 -0.310 0.000 1.181 610 A CA 1.805 53.703 52.037 -0.231 0.000 0.623 610 A CB -0.532 18.452 19.000 -0.027 0.000 0.818 610 A HN 0.557 nan 8.150 nan 0.000 0.443 611 R N -0.557 119.749 120.500 -0.324 0.000 2.083 611 R HA -0.193 4.148 4.340 0.001 0.000 0.237 611 R C 2.383 178.522 176.300 -0.269 0.000 1.137 611 R CA 1.965 57.906 56.100 -0.264 0.000 0.951 611 R CB -0.296 29.875 30.300 -0.214 0.000 0.851 611 R HN 0.699 nan 8.270 nan 0.000 0.434 612 Q N -0.858 118.713 119.800 -0.382 0.000 2.119 612 Q HA -0.133 4.207 4.340 0.001 0.000 0.201 612 Q C 1.934 177.791 176.000 -0.238 0.000 0.972 612 Q CA 1.257 56.858 55.803 -0.337 0.000 0.847 612 Q CB -0.022 28.465 28.738 -0.418 0.000 0.903 612 Q HN 0.299 nan 8.270 nan 0.000 0.433 613 F N 0.747 120.535 119.950 -0.270 0.000 2.171 613 F HA -0.186 4.342 4.527 0.001 0.000 0.300 613 F C 2.753 178.390 175.800 -0.270 0.000 1.090 613 F CA 1.347 59.180 58.000 -0.278 0.000 1.293 613 F CB -1.221 37.643 39.000 -0.227 0.000 1.013 613 F HN 0.086 nan 8.300 nan 0.000 0.486 614 S N -0.172 115.495 115.700 -0.055 0.000 2.419 614 S HA -0.150 4.321 4.470 0.001 0.000 0.233 614 S C 1.835 176.352 174.600 -0.139 0.000 1.016 614 S CA 0.755 58.887 58.200 -0.113 0.000 0.974 614 S CB -0.408 62.707 63.200 -0.142 0.000 0.786 614 S HN 0.264 nan 8.310 nan 0.000 0.492 615 K N 0.550 120.866 120.400 -0.140 0.000 2.365 615 K HA 0.209 4.530 4.320 0.001 0.000 0.199 615 K C 0.594 177.101 176.600 -0.155 0.000 1.045 615 K CA 0.288 56.496 56.287 -0.131 0.000 0.962 615 K CB -0.367 32.062 32.500 -0.117 0.000 0.759 615 K HN 0.530 nan 8.250 nan 0.000 0.469 616 M N -0.250 119.210 119.600 -0.233 0.000 2.242 616 M HA 0.063 4.544 4.480 0.001 0.000 0.344 616 M C 1.624 177.696 176.300 -0.380 0.000 1.140 616 M CA 0.003 55.080 55.300 -0.371 0.000 1.160 616 M CB 1.038 33.210 32.600 -0.712 0.000 1.491 616 M HN 0.079 nan 8.290 nan 0.000 0.459 617 G N 1.861 110.512 108.800 -0.248 0.000 2.470 617 G HA2 -0.176 3.785 3.960 0.001 0.000 0.220 617 G HA3 -0.176 3.785 3.960 0.001 0.000 0.220 617 G C 0.783 175.670 174.900 -0.021 0.000 1.121 617 G CA 0.639 45.685 45.100 -0.091 0.000 0.766 617 G HN 0.802 nan 8.290 nan 0.000 0.553 618 F N -0.273 119.745 119.950 0.114 0.000 2.660 618 F HA 0.607 5.135 4.527 0.001 0.000 0.302 618 F C -0.112 175.827 175.800 0.232 0.000 1.103 618 F CA -1.344 56.777 58.000 0.202 0.000 1.340 618 F CB -0.189 39.022 39.000 0.353 0.000 1.048 618 F HN -0.183 nan 8.300 nan 0.000 0.551 619 V N 1.526 121.403 119.914 -0.062 0.000 2.459 619 V HA 0.196 4.317 4.120 0.001 0.000 0.295 619 V C -0.680 175.388 176.094 -0.043 0.000 1.029 619 V CA -0.823 61.467 62.300 -0.016 0.000 0.874 619 V CB 1.555 33.299 31.823 -0.132 0.000 0.985 619 V HN 0.064 nan 8.190 nan 0.000 0.438 620 D N 4.099 124.474 120.400 -0.042 0.000 2.422 620 D HA 0.055 4.695 4.640 0.001 0.000 0.227 620 D C 1.405 177.649 176.300 -0.092 0.000 1.190 620 D CA -0.247 53.704 54.000 -0.082 0.000 0.905 620 D CB 0.521 41.252 40.800 -0.116 0.000 1.034 620 D HN 0.659 nan 8.370 nan 0.000 0.507 621 N N 3.434 122.083 118.700 -0.086 0.000 2.513 621 N HA -0.200 4.541 4.740 0.001 0.000 0.187 621 N C 0.608 176.072 175.510 -0.077 0.000 1.056 621 N CA 0.654 53.648 53.050 -0.092 0.000 0.907 621 N CB 0.068 38.498 38.487 -0.094 0.000 0.954 621 N HN 0.409 nan 8.380 nan 0.000 0.445 622 K N -0.018 120.344 120.400 -0.063 0.000 2.426 622 K HA 0.141 4.462 4.320 0.001 0.000 0.193 622 K C 0.201 176.796 176.600 -0.008 0.000 1.028 622 K CA 0.174 56.441 56.287 -0.034 0.000 1.047 622 K CB 0.422 32.904 32.500 -0.030 0.000 0.821 622 K HN 0.139 nan 8.250 nan 0.000 0.513 623 R N 1.171 121.637 120.500 -0.057 0.000 2.629 623 R HA 0.366 4.707 4.340 0.001 0.000 0.277 623 R C -1.056 175.204 176.300 -0.067 0.000 1.637 623 R CA -0.078 55.980 56.100 -0.069 0.000 1.663 623 R CB 0.696 30.770 30.300 -0.377 0.000 1.228 623 R HN -0.029 nan 8.270 nan 0.000 0.632 624 I N 1.124 121.786 120.570 0.153 0.000 2.436 624 I HA 0.627 4.798 4.170 0.001 0.000 0.289 624 I C -0.092 176.309 176.117 0.473 0.000 1.010 624 I CA -0.780 60.651 61.300 0.218 0.000 1.098 624 I CB 1.971 39.960 38.000 -0.019 0.000 1.266 624 I HN 0.388 nan 8.210 nan 0.000 0.434 625 A N 6.921 130.121 122.820 0.633 0.000 2.387 625 A HA 0.929 5.250 4.320 0.001 0.000 0.298 625 A C -1.162 176.775 177.584 0.589 0.000 1.165 625 A CA -0.657 51.730 52.037 0.584 0.000 0.814 625 A CB 2.010 21.236 19.000 0.377 0.000 1.357 625 A HN 0.720 nan 8.150 nan 0.000 0.443 626 I N 0.358 121.181 120.570 0.421 0.000 2.656 626 I HA 0.693 4.864 4.170 0.001 0.000 0.292 626 I C -1.904 174.450 176.117 0.394 0.000 1.144 626 I CA -0.541 60.931 61.300 0.286 0.000 1.038 626 I CB 1.597 39.474 38.000 -0.205 0.000 1.244 626 I HN 0.925 nan 8.210 nan 0.000 0.420 627 W N 7.125 128.544 121.300 0.198 0.000 3.167 627 W HA 0.860 5.521 4.660 0.001 0.000 0.324 627 W C -1.486 175.177 176.519 0.239 0.000 1.230 627 W CA -1.017 56.460 57.345 0.221 0.000 1.184 627 W CB 1.158 30.805 29.460 0.311 0.000 1.414 627 W HN 0.833 nan 8.180 nan 0.000 0.551 628 G N 0.996 109.745 108.800 -0.085 0.000 2.601 628 G HA2 0.482 4.443 3.960 0.001 0.000 0.291 628 G HA3 0.482 4.443 3.960 0.001 0.000 0.291 628 G C -2.827 172.050 174.900 -0.038 0.000 1.456 628 G CA -0.703 44.203 45.100 -0.323 0.000 0.804 628 G HN 0.610 nan 8.290 nan 0.000 0.499 629 W N 1.046 122.234 121.300 -0.188 0.000 2.736 629 W HA 0.621 5.282 4.660 0.001 0.000 0.335 629 W C 0.747 177.298 176.519 0.053 0.000 1.059 629 W CA 0.328 57.651 57.345 -0.036 0.000 1.226 629 W CB 1.897 31.349 29.460 -0.014 0.000 1.416 629 W HN 1.234 nan 8.180 nan 0.000 0.505 630 S N 2.472 118.434 115.700 0.436 0.000 4.116 630 S HA -0.426 4.045 4.470 0.001 0.000 0.623 630 S C 1.083 175.783 174.600 0.166 0.000 1.933 630 S CA 1.746 60.201 58.200 0.425 0.000 4.224 630 S CB -1.827 61.782 63.200 0.681 0.000 0.208 630 S HN 0.746 nan 8.310 nan 0.000 0.527 631 Y N 2.471 122.739 120.300 -0.053 0.000 2.256 631 Y HA 0.047 4.598 4.550 0.001 0.000 0.288 631 Y C 2.335 178.091 175.900 -0.240 0.000 1.155 631 Y CA 2.510 60.449 58.100 -0.268 0.000 1.203 631 Y CB -1.025 37.041 38.460 -0.657 0.000 0.980 631 Y HN 0.520 nan 8.280 nan 0.000 0.530 632 G N -1.020 107.723 108.800 -0.094 0.000 2.422 632 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 632 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 632 G C 1.909 176.825 174.900 0.027 0.000 1.140 632 G CA 0.698 45.801 45.100 0.005 0.000 0.775 632 G HN 0.569 nan 8.290 nan 0.000 0.545 633 G N -0.176 108.654 108.800 0.050 0.000 2.408 633 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 633 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 633 G C 1.582 176.505 174.900 0.039 0.000 1.150 633 G CA 1.044 46.168 45.100 0.040 0.000 0.776 633 G HN 0.420 nan 8.290 nan 0.000 0.542 634 Y N 1.421 121.623 120.300 -0.163 0.000 2.114 634 Y HA -0.116 4.435 4.550 0.001 0.000 0.284 634 Y C 2.739 178.551 175.900 -0.146 0.000 1.143 634 Y CA 1.606 59.563 58.100 -0.239 0.000 1.135 634 Y CB -0.495 37.667 38.460 -0.497 0.000 0.980 634 Y HN 0.023 nan 8.280 nan 0.000 0.499 635 V N -0.259 119.530 119.914 -0.209 0.000 2.343 635 V HA -0.318 3.803 4.120 0.001 0.000 0.247 635 V C 2.331 178.308 176.094 -0.196 0.000 1.051 635 V CA 2.425 64.589 62.300 -0.227 0.000 1.036 635 V CB -1.177 30.662 31.823 0.026 0.000 0.654 635 V HN 0.492 nan 8.190 nan 0.000 0.451 636 T N -0.262 114.231 114.554 -0.102 0.000 2.720 636 T HA -0.184 4.167 4.350 0.001 0.000 0.268 636 T C 2.147 176.788 174.700 -0.098 0.000 1.037 636 T CA 1.959 64.010 62.100 -0.083 0.000 1.144 636 T CB -0.220 68.676 68.868 0.047 0.000 0.864 636 T HN 0.515 nan 8.240 nan 0.000 0.444 637 S N 0.954 116.629 115.700 -0.041 0.000 2.368 637 S HA 0.017 4.488 4.470 0.001 0.000 0.224 637 S C 2.141 176.652 174.600 -0.147 0.000 1.029 637 S CA 0.850 59.057 58.200 0.011 0.000 0.988 637 S CB -0.239 63.026 63.200 0.108 0.000 0.838 637 S HN 0.326 nan 8.310 nan 0.000 0.462 638 M N 0.968 120.394 119.600 -0.289 0.000 2.159 638 M HA -0.037 4.444 4.480 0.001 0.000 0.263 638 M C 2.204 178.339 176.300 -0.275 0.000 1.063 638 M CA 1.071 56.181 55.300 -0.318 0.000 1.110 638 M CB -1.383 30.915 32.600 -0.504 0.000 1.374 638 M HN 0.174 nan 8.290 nan 0.000 0.411 639 V N 0.757 120.499 119.914 -0.286 0.000 2.261 639 V HA -0.248 3.873 4.120 0.001 0.000 0.246 639 V C 2.507 178.396 176.094 -0.342 0.000 1.047 639 V CA 1.483 63.612 62.300 -0.285 0.000 1.015 639 V CB -0.648 30.935 31.823 -0.401 0.000 0.642 639 V HN 0.409 nan 8.190 nan 0.000 0.446 640 L N 0.391 121.336 121.223 -0.463 0.000 2.265 640 L HA -0.080 4.261 4.340 0.001 0.000 0.215 640 L C 2.149 178.421 176.870 -0.997 0.000 1.117 640 L CA 1.400 55.861 54.840 -0.632 0.000 0.782 640 L CB -0.689 40.958 42.059 -0.687 0.000 0.914 640 L HN 0.497 nan 8.230 nan 0.000 0.441 641 G N -1.499 106.755 108.800 -0.910 0.000 3.189 641 G HA2 -0.037 3.924 3.960 0.001 0.000 0.225 641 G HA3 -0.037 3.924 3.960 0.001 0.000 0.225 641 G C 1.494 176.232 174.900 -0.269 0.000 1.159 641 G CA 0.550 45.247 45.100 -0.672 0.000 0.763 641 G HN 0.421 nan 8.290 nan 0.000 0.549 642 S N -0.526 115.036 115.700 -0.230 0.000 2.461 642 S HA 0.282 4.753 4.470 0.001 0.000 0.228 642 S C 1.972 176.528 174.600 -0.073 0.000 1.005 642 S CA 1.080 59.212 58.200 -0.113 0.000 0.942 642 S CB -0.154 63.000 63.200 -0.077 0.000 0.776 642 S HN 1.377 nan 8.310 nan 0.000 0.514 643 G N 1.269 110.016 108.800 -0.089 0.000 2.136 643 G HA2 -0.334 3.627 3.960 0.001 0.000 0.242 643 G HA3 -0.334 3.627 3.960 0.001 0.000 0.242 643 G C 0.960 175.849 174.900 -0.019 0.000 0.989 643 G CA 0.945 46.017 45.100 -0.048 0.000 0.682 643 G HN 1.271 nan 8.290 nan 0.000 0.522 644 S N -0.536 115.164 115.700 0.001 0.000 2.423 644 S HA 0.288 4.759 4.470 0.001 0.000 0.231 644 S C 2.611 177.211 174.600 0.000 0.000 1.014 644 S CA 1.751 59.961 58.200 0.017 0.000 0.965 644 S CB -0.285 62.956 63.200 0.069 0.000 0.785 644 S HN 2.427 nan 8.310 nan 0.000 0.495 645 G N 0.026 108.833 108.800 0.013 0.000 2.184 645 G HA2 -0.307 3.654 3.960 0.001 0.000 0.264 645 G HA3 -0.307 3.654 3.960 0.001 0.000 0.264 645 G C 0.812 175.685 174.900 -0.045 0.000 0.975 645 G CA 0.472 45.568 45.100 -0.006 0.000 0.642 645 G HN 0.751 nan 8.290 nan 0.000 0.536 646 V N -0.448 119.405 119.914 -0.101 0.000 2.548 646 V HA 0.231 4.351 4.120 0.001 0.000 0.249 646 V C 1.185 176.979 176.094 -0.500 0.000 1.055 646 V CA 1.503 63.589 62.300 -0.357 0.000 1.065 646 V CB -0.400 31.062 31.823 -0.602 0.000 0.681 646 V HN 0.324 nan 8.190 nan 0.000 0.462 647 F N -0.114 119.849 119.950 0.022 0.000 2.436 647 F HA 0.406 4.934 4.527 0.001 0.000 0.340 647 F C 1.094 176.939 175.800 0.074 0.000 1.113 647 F CA -0.606 57.435 58.000 0.067 0.000 1.022 647 F CB 1.446 40.487 39.000 0.069 0.000 1.128 647 F HN -0.262 nan 8.300 nan 0.000 0.466 648 K N 1.738 122.294 120.400 0.259 0.000 2.116 648 K HA 0.077 4.398 4.320 0.001 0.000 0.203 648 K C -0.059 176.674 176.600 0.222 0.000 1.052 648 K CA 0.940 57.348 56.287 0.202 0.000 0.952 648 K CB 0.227 32.844 32.500 0.195 0.000 0.729 648 K HN 0.810 nan 8.250 nan 0.000 0.446 649 c N -2.996 115.775 118.600 0.285 0.000 3.321 649 c HA 0.891 5.462 4.570 0.001 0.000 0.329 649 c C -0.276 174.043 174.090 0.381 0.000 1.394 649 c CA -0.592 55.929 56.329 0.319 0.000 1.291 649 c CB 1.119 43.753 42.510 0.205 0.000 1.606 649 c HN 0.331 nan 8.230 nan 0.000 0.463 650 G N -0.018 109.070 108.800 0.479 0.000 2.673 650 G HA2 0.717 4.678 3.960 0.001 0.000 0.292 650 G HA3 0.717 4.678 3.960 0.001 0.000 0.292 650 G C -1.998 173.131 174.900 0.381 0.000 1.450 650 G CA -0.688 44.660 45.100 0.413 0.000 0.837 650 G HN 1.022 nan 8.290 nan 0.000 0.505 651 I N 0.649 121.409 120.570 0.318 0.000 2.466 651 I HA 0.622 4.792 4.170 0.001 0.000 0.289 651 I C 0.094 176.328 176.117 0.196 0.000 1.026 651 I CA -1.004 60.367 61.300 0.117 0.000 1.078 651 I CB 2.279 40.335 38.000 0.094 0.000 1.249 651 I HN 0.664 nan 8.210 nan 0.000 0.429 652 A N 6.433 129.262 122.820 0.015 0.000 2.304 652 A HA 0.785 5.105 4.320 0.001 0.000 0.314 652 A C -0.779 176.718 177.584 -0.145 0.000 1.187 652 A CA -0.513 51.540 52.037 0.027 0.000 0.810 652 A CB 1.176 20.251 19.000 0.125 0.000 1.183 652 A HN 0.439 nan 8.150 nan 0.000 0.487 653 V N 2.083 121.868 119.914 -0.215 0.000 2.417 653 V HA 0.575 4.696 4.120 0.001 0.000 0.291 653 V C 0.950 176.681 176.094 -0.606 0.000 1.024 653 V CA 0.303 62.260 62.300 -0.571 0.000 0.861 653 V CB 0.851 31.991 31.823 -1.139 0.000 0.985 653 V HN 2.102 nan 8.190 nan 0.000 0.436 654 A N 5.573 127.995 122.820 -0.663 0.000 2.511 654 A HA -0.106 4.215 4.320 0.001 0.000 0.297 654 A C -1.684 175.750 177.584 -0.249 0.000 1.476 654 A CA 0.471 52.014 52.037 -0.824 0.000 0.757 654 A CB -1.575 17.100 19.000 -0.542 0.000 1.072 654 A HN 0.624 nan 8.150 nan 0.000 0.413 655 P HA 0.434 nan 4.420 nan 0.000 0.276 655 P C 0.178 177.446 177.300 -0.054 0.000 1.244 655 P CA -0.255 62.824 63.100 -0.035 0.000 0.801 655 P CB 1.277 32.980 31.700 0.005 0.000 1.006 656 V N 1.705 121.486 119.914 -0.221 0.000 2.686 656 V HA 0.128 4.249 4.120 0.001 0.000 0.295 656 V C 1.648 177.528 176.094 -0.356 0.000 1.057 656 V CA 0.834 62.849 62.300 -0.475 0.000 1.012 656 V CB 0.995 32.133 31.823 -1.141 0.000 1.006 656 V HN 0.855 nan 8.190 nan 0.000 0.477 657 S N 3.462 118.977 115.700 -0.309 0.000 2.619 657 S HA 0.251 4.721 4.470 0.001 0.000 0.238 657 S C 0.416 174.835 174.600 -0.302 0.000 1.068 657 S CA -0.350 57.751 58.200 -0.165 0.000 0.926 657 S CB 0.333 63.512 63.200 -0.036 0.000 0.864 657 S HN 0.833 nan 8.310 nan 0.000 0.493 658 R N -1.059 119.135 120.500 -0.509 0.000 2.515 658 R HA 0.473 4.813 4.340 0.001 0.000 0.278 658 R C -0.870 175.067 176.300 -0.604 0.000 1.107 658 R CA -0.855 54.890 56.100 -0.593 0.000 0.945 658 R CB -0.164 29.750 30.300 -0.644 0.000 1.219 658 R HN 0.134 nan 8.270 nan 0.000 0.434 659 W N 1.568 122.763 121.300 -0.175 0.000 2.364 659 W HA -0.065 4.595 4.660 0.001 0.000 0.281 659 W C 1.156 177.792 176.519 0.195 0.000 1.219 659 W CA 0.966 58.297 57.345 -0.024 0.000 1.220 659 W CB 0.196 29.553 29.460 -0.173 0.000 1.127 659 W HN 0.726 nan 8.180 nan 0.000 0.556 660 E N -1.024 119.338 120.200 0.270 0.000 2.409 660 E HA -0.187 4.163 4.350 0.001 0.000 0.198 660 E C 1.171 177.906 176.600 0.226 0.000 1.024 660 E CA 0.733 57.248 56.400 0.192 0.000 0.861 660 E CB -0.189 29.512 29.700 0.001 0.000 0.788 660 E HN 0.388 nan 8.360 nan 0.000 0.521 661 Y N -1.674 118.713 120.300 0.145 0.000 2.510 661 Y HA 0.076 4.626 4.550 0.001 0.000 0.273 661 Y C 0.645 176.639 175.900 0.156 0.000 1.119 661 Y CA -0.346 57.810 58.100 0.094 0.000 1.286 661 Y CB -0.318 38.140 38.460 -0.004 0.000 1.061 661 Y HN 0.008 nan 8.280 nan 0.000 0.542 662 Y N 2.055 122.505 120.300 0.250 0.000 2.334 662 Y HA 0.281 4.832 4.550 0.001 0.000 0.325 662 Y C 0.376 176.484 175.900 0.345 0.000 1.308 662 Y CA -2.025 56.230 58.100 0.260 0.000 1.389 662 Y CB 0.344 38.995 38.460 0.318 0.000 1.328 662 Y HN 0.202 nan 8.280 nan 0.000 0.532 663 D N -0.572 119.481 120.400 -0.578 0.000 2.368 663 D HA 0.091 4.732 4.640 0.001 0.000 0.240 663 D C 0.947 177.219 176.300 -0.047 0.000 1.169 663 D CA 0.364 54.135 54.000 -0.382 0.000 0.906 663 D CB 0.866 41.205 40.800 -0.770 0.000 1.187 663 D HN 0.476 nan 8.370 nan 0.000 0.435 664 S N 1.045 116.730 115.700 -0.025 0.000 2.348 664 S HA -0.221 4.250 4.470 0.001 0.000 0.221 664 S C 1.938 176.573 174.600 0.058 0.000 1.033 664 S CA 1.172 59.415 58.200 0.072 0.000 1.010 664 S CB -1.019 62.228 63.200 0.079 0.000 0.891 664 S HN 0.432 nan 8.310 nan 0.000 0.442 665 V N 0.889 120.779 119.914 -0.041 0.000 2.287 665 V HA -0.184 3.936 4.120 0.001 0.000 0.248 665 V C 2.332 178.360 176.094 -0.109 0.000 1.053 665 V CA 2.293 64.484 62.300 -0.182 0.000 1.027 665 V CB -1.091 30.467 31.823 -0.442 0.000 0.646 665 V HN 0.625 nan 8.190 nan 0.000 0.447 666 Y N 1.310 121.569 120.300 -0.069 0.000 2.153 666 Y HA -0.186 4.365 4.550 0.001 0.000 0.289 666 Y C 2.700 178.632 175.900 0.053 0.000 1.127 666 Y CA 2.167 60.302 58.100 0.058 0.000 1.131 666 Y CB -0.630 38.059 38.460 0.382 0.000 0.995 666 Y HN 0.230 nan 8.280 nan 0.000 0.505 667 T N 0.460 115.277 114.554 0.438 0.000 2.652 667 T HA -0.210 4.141 4.350 0.001 0.000 0.267 667 T C 1.558 176.257 174.700 -0.001 0.000 1.039 667 T CA 1.997 64.265 62.100 0.280 0.000 1.153 667 T CB -0.339 68.823 68.868 0.490 0.000 0.863 667 T HN 0.442 nan 8.240 nan 0.000 0.428 668 E N 0.555 120.779 120.200 0.040 0.000 2.204 668 E HA -0.089 4.262 4.350 0.001 0.000 0.194 668 E C 2.348 178.842 176.600 -0.176 0.000 0.989 668 E CA 0.395 56.804 56.400 0.015 0.000 0.824 668 E CB -0.126 29.624 29.700 0.084 0.000 0.756 668 E HN 0.351 nan 8.360 nan 0.000 0.477 669 R N 0.226 120.471 120.500 -0.425 0.000 2.105 669 R HA -0.194 4.146 4.340 0.001 0.000 0.239 669 R C 1.240 176.998 176.300 -0.903 0.000 1.135 669 R CA 1.594 57.242 56.100 -0.752 0.000 0.967 669 R CB -0.014 29.515 30.300 -1.284 0.000 0.861 669 R HN 0.249 nan 8.270 nan 0.000 0.442 670 Y N -1.794 118.178 120.300 -0.547 0.000 2.524 670 Y HA 0.212 4.762 4.550 0.001 0.000 0.270 670 Y C 1.712 177.428 175.900 -0.306 0.000 1.094 670 Y CA 0.117 57.895 58.100 -0.537 0.000 1.276 670 Y CB 0.434 38.445 38.460 -0.749 0.000 1.130 670 Y HN -0.052 nan 8.280 nan 0.000 0.536 671 M N -0.214 119.286 119.600 -0.167 0.000 2.313 671 M HA 0.365 4.845 4.480 0.001 0.000 0.273 671 M C 0.988 177.319 176.300 0.052 0.000 1.049 671 M CA 0.628 55.839 55.300 -0.149 0.000 1.004 671 M CB -0.318 31.998 32.600 -0.474 0.000 1.461 671 M HN 0.334 nan 8.290 nan 0.000 0.514 672 G N 2.070 110.908 108.800 0.062 0.000 2.645 672 G HA2 -0.250 3.710 3.960 0.001 0.000 0.246 672 G HA3 -0.250 3.710 3.960 0.001 0.000 0.246 672 G C -0.480 174.559 174.900 0.232 0.000 1.322 672 G CA -0.696 44.477 45.100 0.121 0.000 0.898 672 G HN 0.376 nan 8.290 nan 0.000 0.573 673 L N 1.779 123.105 121.223 0.172 0.000 2.343 673 L HA 0.455 4.796 4.340 0.001 0.000 0.275 673 L C -1.488 175.380 176.870 -0.003 0.000 1.056 673 L CA -1.828 53.070 54.840 0.096 0.000 0.804 673 L CB 2.024 44.100 42.059 0.029 0.000 1.203 673 L HN 0.457 nan 8.230 nan 0.000 0.440 674 P HA 0.077 nan 4.420 nan 0.000 0.220 674 P C -0.582 176.564 177.300 -0.256 0.000 1.806 674 P CA -0.125 62.572 63.100 -0.671 0.000 0.976 674 P CB -0.342 30.597 31.700 -1.269 0.000 1.952 675 T N -2.526 111.966 114.554 -0.102 0.000 2.908 675 T HA 0.451 4.802 4.350 0.001 0.000 0.290 675 T C -1.921 172.773 174.700 -0.010 0.000 1.034 675 T CA -2.457 59.614 62.100 -0.050 0.000 1.010 675 T CB 1.999 70.850 68.868 -0.028 0.000 1.068 675 T HN -0.191 nan 8.240 nan 0.000 0.481 676 P HA -0.112 nan 4.420 nan 0.000 0.218 676 P C 0.723 178.036 177.300 0.021 0.000 1.148 676 P CA 1.275 64.383 63.100 0.013 0.000 0.822 676 P CB 0.156 31.861 31.700 0.008 0.000 0.784 677 E N -0.849 119.360 120.200 0.014 0.000 2.358 677 E HA -0.072 4.279 4.350 0.001 0.000 0.195 677 E C 1.538 178.153 176.600 0.026 0.000 1.010 677 E CA 0.683 57.093 56.400 0.017 0.000 0.856 677 E CB -0.413 29.292 29.700 0.009 0.000 0.795 677 E HN 0.342 nan 8.360 nan 0.000 0.504 678 D N -0.399 120.022 120.400 0.035 0.000 2.838 678 D HA 0.054 4.695 4.640 0.001 0.000 0.245 678 D C 0.276 176.629 176.300 0.089 0.000 1.424 678 D CA 0.205 54.238 54.000 0.055 0.000 1.214 678 D CB 0.048 40.882 40.800 0.057 0.000 0.937 678 D HN -0.023 nan 8.370 nan 0.000 0.232 679 N N 0.018 118.802 118.700 0.141 0.000 2.365 679 N HA 0.086 4.827 4.740 0.001 0.000 0.257 679 N C 0.980 176.679 175.510 0.315 0.000 1.287 679 N CA -0.102 53.081 53.050 0.222 0.000 0.882 679 N CB 0.160 38.806 38.487 0.266 0.000 1.250 679 N HN 0.082 nan 8.380 nan 0.000 0.507 680 L N 0.506 121.832 121.223 0.171 0.000 2.043 680 L HA -0.112 4.229 4.340 0.001 0.000 0.212 680 L C 1.182 178.156 176.870 0.172 0.000 1.075 680 L CA 2.003 56.919 54.840 0.127 0.000 0.752 680 L CB -0.465 41.605 42.059 0.018 0.000 0.891 680 L HN 0.155 nan 8.230 nan 0.000 0.432 681 D N -1.486 118.998 120.400 0.139 0.000 2.133 681 D HA -0.261 4.379 4.640 0.001 0.000 0.195 681 D C 2.087 178.476 176.300 0.149 0.000 0.997 681 D CA 1.769 55.841 54.000 0.121 0.000 0.840 681 D CB -0.233 40.628 40.800 0.101 0.000 0.947 681 D HN 0.579 nan 8.370 nan 0.000 0.452 682 H N -0.919 118.220 119.070 0.116 0.000 2.462 682 H HA -0.051 4.505 4.556 0.001 0.000 0.292 682 H C 1.674 177.076 175.328 0.123 0.000 1.049 682 H CA 1.126 57.223 56.048 0.082 0.000 1.334 682 H CB -0.289 29.486 29.762 0.022 0.000 1.404 682 H HN 0.165 nan 8.280 nan 0.000 0.544 683 Y N 0.121 120.398 120.300 -0.037 0.000 2.224 683 Y HA -0.151 4.400 4.550 0.001 0.000 0.289 683 Y C 2.236 178.090 175.900 -0.078 0.000 1.146 683 Y CA 1.269 59.354 58.100 -0.026 0.000 1.182 683 Y CB 0.202 38.684 38.460 0.036 0.000 0.983 683 Y HN 0.121 nan 8.280 nan 0.000 0.524 684 R N -0.289 120.272 120.500 0.102 0.000 2.200 684 R HA -0.010 4.331 4.340 0.001 0.000 0.208 684 R C 1.175 177.462 176.300 -0.021 0.000 1.033 684 R CA 0.563 56.679 56.100 0.027 0.000 1.000 684 R CB -0.484 29.836 30.300 0.033 0.000 0.906 684 R HN 0.405 nan 8.270 nan 0.000 0.462 685 N N 0.463 119.127 118.700 -0.059 0.000 2.422 685 N HA -0.039 4.702 4.740 0.001 0.000 0.181 685 N C 0.532 175.984 175.510 -0.097 0.000 1.080 685 N CA 0.601 53.616 53.050 -0.057 0.000 0.893 685 N CB 0.354 38.842 38.487 0.001 0.000 0.973 685 N HN 0.121 nan 8.380 nan 0.000 0.456 686 S N -0.349 115.240 115.700 -0.184 0.000 2.552 686 S HA 0.101 4.571 4.470 0.001 0.000 0.246 686 S C 0.587 175.220 174.600 0.054 0.000 1.019 686 S CA -0.736 57.424 58.200 -0.066 0.000 1.045 686 S CB -0.408 62.708 63.200 -0.139 0.000 0.784 686 S HN 0.163 nan 8.310 nan 0.000 0.453 687 T N -2.048 112.499 114.554 -0.012 0.000 2.934 687 T HA 0.542 4.892 4.350 0.001 0.000 0.283 687 T C 1.251 175.946 174.700 -0.008 0.000 1.005 687 T CA -0.676 61.404 62.100 -0.033 0.000 1.041 687 T CB 1.359 70.174 68.868 -0.088 0.000 1.042 687 T HN -0.041 nan 8.240 nan 0.000 0.505 688 V N 1.502 121.409 119.914 -0.012 0.000 2.379 688 V HA -0.097 4.023 4.120 0.001 0.000 0.245 688 V C 2.635 178.706 176.094 -0.038 0.000 1.044 688 V CA 1.487 63.776 62.300 -0.018 0.000 1.036 688 V CB -0.946 30.862 31.823 -0.025 0.000 0.664 688 V HN 0.811 nan 8.190 nan 0.000 0.453 689 M N 1.328 120.889 119.600 -0.066 0.000 2.144 689 M HA -0.182 4.299 4.480 0.001 0.000 0.260 689 M C 2.329 178.602 176.300 -0.045 0.000 1.067 689 M CA 2.242 57.495 55.300 -0.077 0.000 1.095 689 M CB -1.061 31.503 32.600 -0.059 0.000 1.365 689 M HN 0.532 nan 8.290 nan 0.000 0.406 690 S N -0.388 115.297 115.700 -0.026 0.000 2.507 690 S HA -0.075 4.396 4.470 0.001 0.000 0.235 690 S C 1.724 176.330 174.600 0.010 0.000 0.988 690 S CA 0.699 58.893 58.200 -0.009 0.000 0.944 690 S CB -0.463 62.732 63.200 -0.009 0.000 0.762 690 S HN 0.550 nan 8.310 nan 0.000 0.526 691 R N 0.359 120.878 120.500 0.032 0.000 2.393 691 R HA 0.455 4.796 4.340 0.001 0.000 0.244 691 R C 2.168 178.574 176.300 0.178 0.000 0.920 691 R CA 0.412 56.562 56.100 0.083 0.000 1.076 691 R CB -0.208 30.143 30.300 0.084 0.000 1.119 691 R HN 0.457 nan 8.270 nan 0.000 0.524 692 A N 1.744 124.607 122.820 0.071 0.000 1.903 692 A HA -0.311 4.010 4.320 0.001 0.000 0.219 692 A C 2.012 179.676 177.584 0.134 0.000 1.191 692 A CA 2.013 54.053 52.037 0.004 0.000 0.638 692 A CB -0.336 18.601 19.000 -0.105 0.000 0.823 692 A HN 0.270 nan 8.150 nan 0.000 0.451 693 E N 0.481 120.735 120.200 0.090 0.000 2.114 693 E HA -0.208 4.143 4.350 0.001 0.000 0.199 693 E C 1.583 178.248 176.600 0.108 0.000 1.008 693 E CA 1.744 58.194 56.400 0.083 0.000 0.810 693 E CB -0.263 29.467 29.700 0.050 0.000 0.739 693 E HN 0.627 nan 8.360 nan 0.000 0.456 694 N N -0.574 118.191 118.700 0.108 0.000 2.520 694 N HA -0.111 4.630 4.740 0.001 0.000 0.185 694 N C 0.827 176.341 175.510 0.008 0.000 1.068 694 N CA 0.548 53.618 53.050 0.033 0.000 0.911 694 N CB -0.206 38.254 38.487 -0.046 0.000 0.961 694 N HN 0.261 nan 8.380 nan 0.000 0.446 695 F N 1.064 120.974 119.950 -0.067 0.000 2.748 695 F HA 0.105 4.632 4.527 0.001 0.000 0.299 695 F C 2.038 177.842 175.800 0.007 0.000 1.154 695 F CA 0.263 58.219 58.000 -0.073 0.000 1.446 695 F CB 0.186 39.093 39.000 -0.155 0.000 1.112 695 F HN -0.081 nan 8.300 nan 0.000 0.584 696 K N 0.208 120.712 120.400 0.173 0.000 2.152 696 K HA -0.196 4.125 4.320 0.001 0.000 0.206 696 K C 1.309 177.975 176.600 0.111 0.000 1.048 696 K CA 1.229 57.596 56.287 0.133 0.000 0.933 696 K CB -0.106 32.451 32.500 0.094 0.000 0.721 696 K HN 0.396 nan 8.250 nan 0.000 0.447 697 Q N 0.386 120.235 119.800 0.080 0.000 2.204 697 Q HA 0.061 4.402 4.340 0.001 0.000 0.209 697 Q C -0.277 175.773 176.000 0.083 0.000 0.861 697 Q CA -0.130 55.715 55.803 0.069 0.000 0.971 697 Q CB 0.864 29.627 28.738 0.042 0.000 1.095 697 Q HN 0.091 nan 8.270 nan 0.000 0.486 698 V N -3.325 116.657 119.914 0.113 0.000 3.040 698 V HA 0.512 4.633 4.120 0.001 0.000 0.312 698 V C -0.960 175.280 176.094 0.244 0.000 1.115 698 V CA -1.230 61.158 62.300 0.148 0.000 0.998 698 V CB 2.369 34.242 31.823 0.083 0.000 1.042 698 V HN 0.003 nan 8.190 nan 0.000 0.433 699 E N 1.722 122.096 120.200 0.290 0.000 2.174 699 E HA 0.478 4.828 4.350 0.001 0.000 0.282 699 E C -1.861 175.111 176.600 0.620 0.000 0.992 699 E CA -0.385 56.259 56.400 0.408 0.000 0.803 699 E CB 1.911 31.788 29.700 0.295 0.000 1.090 699 E HN 0.717 nan 8.360 nan 0.000 0.396 700 Y N 3.262 123.825 120.300 0.437 0.000 2.425 700 Y HA 0.452 5.002 4.550 0.001 0.000 0.344 700 Y C -1.767 174.205 175.900 0.121 0.000 0.969 700 Y CA -1.422 56.868 58.100 0.316 0.000 1.052 700 Y CB 1.132 39.812 38.460 0.366 0.000 1.215 700 Y HN 0.425 nan 8.280 nan 0.000 0.451 701 L N 7.725 128.651 121.223 -0.495 0.000 2.343 701 L HA 0.617 4.958 4.340 0.001 0.000 0.278 701 L C -2.196 174.214 176.870 -0.768 0.000 0.996 701 L CA -0.792 53.622 54.840 -0.710 0.000 0.831 701 L CB 1.321 42.634 42.059 -1.244 0.000 1.232 701 L HN 0.665 nan 8.230 nan 0.000 0.413 702 L N 6.611 127.475 121.223 -0.598 0.000 2.313 702 L HA 0.707 5.047 4.340 0.001 0.000 0.283 702 L C -1.143 175.599 176.870 -0.214 0.000 1.013 702 L CA -0.005 54.531 54.840 -0.507 0.000 0.816 702 L CB 1.168 42.945 42.059 -0.471 0.000 1.236 702 L HN 0.598 nan 8.230 nan 0.000 0.419 703 I N 4.393 124.848 120.570 -0.192 0.000 2.608 703 I HA 0.492 4.663 4.170 0.001 0.000 0.295 703 I C -1.162 174.939 176.117 -0.028 0.000 1.049 703 I CA -0.751 60.492 61.300 -0.094 0.000 1.063 703 I CB 2.115 40.024 38.000 -0.151 0.000 1.248 703 I HN 0.688 nan 8.210 nan 0.000 0.424 704 H N 1.906 121.022 119.070 0.076 0.000 3.123 704 H HA 0.440 4.996 4.556 0.001 0.000 0.346 704 H C -0.438 175.125 175.328 0.392 0.000 1.138 704 H CA -0.601 55.545 56.048 0.162 0.000 1.273 704 H CB 1.914 31.700 29.762 0.040 0.000 1.926 704 H HN 0.760 nan 8.280 nan 0.000 0.524 705 G N 0.972 110.133 108.800 0.601 0.000 2.390 705 G HA2 0.224 4.185 3.960 0.001 0.000 0.270 705 G HA3 0.224 4.185 3.960 0.001 0.000 0.270 705 G C 1.137 176.338 174.900 0.502 0.000 1.211 705 G CA 0.137 45.544 45.100 0.512 0.000 0.842 705 G HN 0.740 nan 8.290 nan 0.000 0.519 706 T N -0.705 114.000 114.554 0.253 0.000 2.995 706 T HA 0.089 4.440 4.350 0.001 0.000 0.269 706 T C 1.671 176.368 174.700 -0.004 0.000 1.091 706 T CA 1.224 63.291 62.100 -0.056 0.000 1.128 706 T CB 0.181 68.935 68.868 -0.188 0.000 0.891 706 T HN 0.683 nan 8.240 nan 0.000 0.492 707 A N 1.057 123.941 122.820 0.107 0.000 2.708 707 A HA 0.313 4.634 4.320 0.001 0.000 0.293 707 A C 0.366 177.898 177.584 -0.086 0.000 1.303 707 A CA -0.524 51.530 52.037 0.029 0.000 0.949 707 A CB -0.288 19.002 19.000 0.483 0.000 1.121 707 A HN 0.358 nan 8.150 nan 0.000 0.542 708 D N 1.580 121.969 120.400 -0.017 0.000 2.342 708 D HA -0.012 4.629 4.640 0.001 0.000 0.260 708 D C 0.408 176.667 176.300 -0.068 0.000 1.278 708 D CA 0.169 54.258 54.000 0.148 0.000 0.910 708 D CB 0.676 41.723 40.800 0.412 0.000 1.079 708 D HN 0.576 nan 8.370 nan 0.000 0.496 709 D N 2.418 122.830 120.400 0.020 0.000 2.323 709 D HA -0.142 4.499 4.640 0.001 0.000 0.209 709 D C 0.983 177.256 176.300 -0.044 0.000 0.973 709 D CA -0.043 53.918 54.000 -0.065 0.000 0.874 709 D CB 0.410 41.151 40.800 -0.100 0.000 0.930 709 D HN 0.220 nan 8.370 nan 0.000 0.521 710 N N 0.874 119.651 118.700 0.128 0.000 2.335 710 N HA -0.051 4.690 4.740 0.001 0.000 0.197 710 N C -0.026 175.425 175.510 -0.098 0.000 1.045 710 N CA 0.572 53.725 53.050 0.171 0.000 0.928 710 N CB 0.362 38.956 38.487 0.178 0.000 1.118 710 N HN -0.093 nan 8.380 nan 0.000 0.471 711 V N 3.895 123.766 119.914 -0.071 0.000 2.288 711 V HA 0.195 4.316 4.120 0.001 0.000 0.266 711 V C -0.600 175.541 176.094 0.079 0.000 1.048 711 V CA -0.694 61.598 62.300 -0.014 0.000 0.842 711 V CB 0.069 31.936 31.823 0.072 0.000 1.064 711 V HN 0.310 nan 8.190 nan 0.000 0.472 712 H N 3.342 122.386 119.070 -0.044 0.000 2.948 712 H HA -0.006 4.551 4.556 0.001 0.000 0.351 712 H C 0.901 176.070 175.328 -0.265 0.000 1.079 712 H CA -0.196 55.747 56.048 -0.174 0.000 1.407 712 H CB 0.552 30.132 29.762 -0.304 0.000 1.373 712 H HN 0.611 nan 8.280 nan 0.000 0.605 713 F N 1.826 121.568 119.950 -0.347 0.000 2.192 713 F HA -0.281 4.247 4.527 0.001 0.000 0.301 713 F C 2.583 178.098 175.800 -0.474 0.000 1.079 713 F CA 1.890 59.483 58.000 -0.679 0.000 1.303 713 F CB -0.084 38.703 39.000 -0.354 0.000 1.024 713 F HN 0.662 nan 8.300 nan 0.000 0.494 714 Q N 0.190 119.846 119.800 -0.240 0.000 2.156 714 Q HA -0.322 4.019 4.340 0.001 0.000 0.211 714 Q C 2.073 177.827 176.000 -0.410 0.000 0.995 714 Q CA 2.353 57.967 55.803 -0.315 0.000 0.877 714 Q CB -0.370 28.150 28.738 -0.364 0.000 0.920 714 Q HN 0.596 nan 8.270 nan 0.000 0.416 715 Q N -0.361 119.237 119.800 -0.337 0.000 2.096 715 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 715 Q C 2.238 178.127 176.000 -0.184 0.000 0.982 715 Q CA 1.729 57.450 55.803 -0.137 0.000 0.850 715 Q CB -0.080 28.656 28.738 -0.003 0.000 0.901 715 Q HN 0.336 nan 8.270 nan 0.000 0.422 716 S N 0.551 116.025 115.700 -0.377 0.000 2.414 716 S HA 0.024 4.495 4.470 0.001 0.000 0.227 716 S C 2.008 176.354 174.600 -0.423 0.000 1.022 716 S CA 0.645 58.631 58.200 -0.357 0.000 0.958 716 S CB -0.026 62.950 63.200 -0.374 0.000 0.797 716 S HN 0.456 nan 8.310 nan 0.000 0.493 717 A N 1.273 123.752 122.820 -0.569 0.000 1.972 717 A HA -0.113 4.208 4.320 0.001 0.000 0.219 717 A C 2.098 179.582 177.584 -0.167 0.000 1.169 717 A CA 1.087 52.932 52.037 -0.320 0.000 0.635 717 A CB -0.330 18.551 19.000 -0.199 0.000 0.810 717 A HN 0.356 nan 8.150 nan 0.000 0.446 718 Q N -0.595 119.111 119.800 -0.156 0.000 2.269 718 Q HA 0.071 4.411 4.340 0.001 0.000 0.201 718 Q C 2.079 178.025 176.000 -0.091 0.000 0.946 718 Q CA 0.716 56.480 55.803 -0.065 0.000 0.877 718 Q CB -0.199 28.570 28.738 0.051 0.000 0.963 718 Q HN 0.771 nan 8.270 nan 0.000 0.472 719 I N 1.149 121.636 120.570 -0.139 0.000 2.163 719 I HA -0.274 3.897 4.170 0.001 0.000 0.240 719 I C 2.537 178.482 176.117 -0.286 0.000 1.081 719 I CA 1.512 62.687 61.300 -0.208 0.000 1.353 719 I CB -0.452 37.429 38.000 -0.200 0.000 1.054 719 I HN 0.183 nan 8.210 nan 0.000 0.407 720 S N 0.921 116.475 115.700 -0.243 0.000 2.368 720 S HA -0.278 4.193 4.470 0.001 0.000 0.225 720 S C 2.032 176.605 174.600 -0.046 0.000 1.030 720 S CA 1.491 59.579 58.200 -0.186 0.000 0.999 720 S CB -0.444 62.810 63.200 0.090 0.000 0.844 720 S HN 0.375 nan 8.310 nan 0.000 0.459 721 K N 1.645 122.020 120.400 -0.041 0.000 2.097 721 K HA 0.068 4.389 4.320 0.001 0.000 0.206 721 K C 2.268 178.850 176.600 -0.030 0.000 1.049 721 K CA 1.088 57.370 56.287 -0.009 0.000 0.933 721 K CB -0.650 31.842 32.500 -0.013 0.000 0.717 721 K HN 0.451 nan 8.250 nan 0.000 0.442 722 A N 0.988 123.760 122.820 -0.081 0.000 1.930 722 A HA -0.086 4.234 4.320 0.001 0.000 0.217 722 A C 2.064 179.584 177.584 -0.107 0.000 1.175 722 A CA 1.197 53.179 52.037 -0.090 0.000 0.627 722 A CB -0.536 18.390 19.000 -0.122 0.000 0.815 722 A HN 0.307 nan 8.150 nan 0.000 0.443 723 L N -0.714 120.400 121.223 -0.181 0.000 2.056 723 L HA -0.133 4.207 4.340 0.001 0.000 0.207 723 L C 2.508 179.403 176.870 0.041 0.000 1.078 723 L CA 0.898 55.645 54.840 -0.155 0.000 0.749 723 L CB -0.598 41.226 42.059 -0.392 0.000 0.901 723 L HN 0.225 nan 8.230 nan 0.000 0.433 724 V N -0.051 119.925 119.914 0.103 0.000 2.332 724 V HA -0.304 3.817 4.120 0.001 0.000 0.248 724 V C 2.044 178.176 176.094 0.063 0.000 1.055 724 V CA 1.946 64.322 62.300 0.125 0.000 1.038 724 V CB -0.527 31.367 31.823 0.118 0.000 0.651 724 V HN 0.433 nan 8.190 nan 0.000 0.450 725 D N 0.211 120.629 120.400 0.031 0.000 2.221 725 D HA -0.112 4.529 4.640 0.001 0.000 0.204 725 D C 1.680 177.993 176.300 0.021 0.000 0.982 725 D CA 1.676 55.688 54.000 0.020 0.000 0.857 725 D CB -0.110 40.693 40.800 0.005 0.000 0.934 725 D HN 0.566 nan 8.370 nan 0.000 0.475 726 V N -3.909 116.018 119.914 0.023 0.000 3.376 726 V HA 0.517 4.638 4.120 0.001 0.000 0.313 726 V C 1.174 177.296 176.094 0.047 0.000 1.393 726 V CA 0.156 62.474 62.300 0.029 0.000 1.125 726 V CB -0.068 31.769 31.823 0.023 0.000 1.037 726 V HN 0.126 nan 8.190 nan 0.000 0.440 727 G N 0.403 109.238 108.800 0.058 0.000 2.272 727 G HA2 -0.175 3.786 3.960 0.001 0.000 0.280 727 G HA3 -0.175 3.786 3.960 0.001 0.000 0.280 727 G C -0.085 174.872 174.900 0.096 0.000 1.067 727 G CA 0.488 45.631 45.100 0.071 0.000 0.902 727 G HN 1.504 nan 8.290 nan 0.000 0.500 728 V N -0.295 119.696 119.914 0.128 0.000 2.398 728 V HA 0.681 4.801 4.120 0.001 0.000 0.286 728 V C 0.125 176.384 176.094 0.276 0.000 1.026 728 V CA -0.609 61.794 62.300 0.173 0.000 0.868 728 V CB 1.756 33.673 31.823 0.157 0.000 0.982 728 V HN 0.367 nan 8.190 nan 0.000 0.443 729 D N 5.378 125.918 120.400 0.235 0.000 2.313 729 D HA 0.602 5.243 4.640 0.001 0.000 0.247 729 D C -0.559 175.961 176.300 0.366 0.000 1.094 729 D CA 0.326 54.449 54.000 0.206 0.000 0.925 729 D CB 0.960 41.823 40.800 0.104 0.000 1.188 729 D HN 0.600 nan 8.370 nan 0.000 0.430 730 F N -0.618 119.406 119.950 0.123 0.000 2.773 730 F HA 0.438 4.966 4.527 0.001 0.000 0.314 730 F C -1.624 174.232 175.800 0.093 0.000 1.160 730 F CA -1.182 56.915 58.000 0.161 0.000 0.920 730 F CB 0.741 39.873 39.000 0.220 0.000 1.323 730 F HN 0.062 nan 8.300 nan 0.000 0.457 731 Q N 1.540 121.430 119.800 0.151 0.000 2.235 731 Q HA 0.831 5.172 4.340 0.001 0.000 0.256 731 Q C -0.753 175.264 176.000 0.029 0.000 0.951 731 Q CA -0.704 55.096 55.803 -0.006 0.000 0.890 731 Q CB 1.917 30.676 28.738 0.034 0.000 1.279 731 Q HN 1.049 nan 8.270 nan 0.000 0.444 732 A N 1.610 124.410 122.820 -0.033 0.000 2.556 732 A HA 0.865 5.186 4.320 0.001 0.000 0.294 732 A C -1.354 176.183 177.584 -0.078 0.000 1.091 732 A CA -0.589 51.461 52.037 0.021 0.000 0.704 732 A CB 1.965 21.053 19.000 0.147 0.000 1.300 732 A HN 0.609 nan 8.150 nan 0.000 0.406 733 M N 1.235 120.768 119.600 -0.112 0.000 2.274 733 M HA 0.558 5.039 4.480 0.001 0.000 0.272 733 M C -2.013 174.135 176.300 -0.252 0.000 1.053 733 M CA -0.556 54.521 55.300 -0.372 0.000 0.978 733 M CB 1.057 33.343 32.600 -0.524 0.000 1.836 733 M HN 0.972 nan 8.290 nan 0.000 0.484 734 W N 4.212 125.343 121.300 -0.281 0.000 2.516 734 W HA 0.787 5.448 4.660 0.001 0.000 0.343 734 W C -1.976 174.279 176.519 -0.441 0.000 1.094 734 W CA -0.884 56.384 57.345 -0.128 0.000 1.250 734 W CB 0.422 29.859 29.460 -0.038 0.000 1.308 734 W HN 0.627 nan 8.180 nan 0.000 0.588 735 Y N 2.212 122.637 120.300 0.208 0.000 2.376 735 Y HA 0.290 4.841 4.550 0.001 0.000 0.326 735 Y C 0.475 176.488 175.900 0.189 0.000 0.970 735 Y CA -1.015 57.120 58.100 0.058 0.000 1.248 735 Y CB 1.625 40.101 38.460 0.027 0.000 1.117 735 Y HN 0.412 nan 8.280 nan 0.000 0.476 736 T N 4.561 119.288 114.554 0.289 0.000 2.871 736 T HA -0.042 4.309 4.350 0.001 0.000 0.296 736 T C 0.201 174.987 174.700 0.143 0.000 0.998 736 T CA 0.636 62.859 62.100 0.205 0.000 1.162 736 T CB -0.101 68.825 68.868 0.096 0.000 0.947 736 T HN 0.721 nan 8.240 nan 0.000 0.536 737 D N 0.834 121.300 120.400 0.110 0.000 3.077 737 D HA -0.125 4.516 4.640 0.001 0.000 0.217 737 D C 0.293 176.734 176.300 0.235 0.000 1.162 737 D CA 1.141 55.157 54.000 0.025 0.000 0.943 737 D CB -0.362 40.247 40.800 -0.319 0.000 1.122 737 D HN 0.546 nan 8.370 nan 0.000 0.413 738 E N 0.834 121.190 120.200 0.260 0.000 2.313 738 E HA 0.328 4.679 4.350 0.001 0.000 0.272 738 E C 0.782 177.573 176.600 0.319 0.000 1.038 738 E CA -0.290 56.279 56.400 0.281 0.000 0.863 738 E CB 1.214 31.068 29.700 0.256 0.000 1.060 738 E HN 0.331 nan 8.360 nan 0.000 0.402 739 D N -0.390 120.209 120.400 0.331 0.000 2.541 739 D HA 0.005 4.645 4.640 0.001 0.000 0.276 739 D C 1.095 177.637 176.300 0.404 0.000 1.190 739 D CA -0.192 54.026 54.000 0.364 0.000 1.095 739 D CB -0.247 40.791 40.800 0.396 0.000 1.173 739 D HN 0.396 nan 8.370 nan 0.000 0.604 740 H N -1.464 117.798 119.070 0.321 0.000 2.457 740 H HA 0.069 4.625 4.556 0.001 0.000 0.297 740 H C 1.876 177.466 175.328 0.438 0.000 1.092 740 H CA 2.230 58.489 56.048 0.352 0.000 1.309 740 H CB -0.396 29.559 29.762 0.321 0.000 1.382 740 H HN 0.500 nan 8.280 nan 0.000 0.535 741 G N -0.421 108.577 108.800 0.330 0.000 2.777 741 G HA2 0.020 3.981 3.960 0.001 0.000 0.211 741 G HA3 0.020 3.981 3.960 0.001 0.000 0.211 741 G C 0.658 175.761 174.900 0.339 0.000 1.149 741 G CA 0.261 45.488 45.100 0.212 0.000 0.785 741 G HN 0.512 nan 8.290 nan 0.000 0.536 742 I N 0.109 120.892 120.570 0.355 0.000 5.158 742 I HA -0.334 3.837 4.170 0.001 0.000 0.126 742 I C 1.553 177.814 176.117 0.241 0.000 1.344 742 I CA 0.216 61.673 61.300 0.262 0.000 2.637 742 I CB -1.171 36.964 38.000 0.224 0.000 2.338 742 I HN 0.273 nan 8.210 nan 0.000 0.320 743 A N 1.045 123.977 122.820 0.187 0.000 2.348 743 A HA 0.279 4.599 4.320 0.001 0.000 0.224 743 A C 1.182 178.819 177.584 0.089 0.000 1.227 743 A CA 0.528 52.638 52.037 0.121 0.000 0.885 743 A CB 0.122 19.156 19.000 0.056 0.000 0.933 743 A HN 0.629 nan 8.150 nan 0.000 0.506 744 S N -0.317 115.450 115.700 0.111 0.000 2.573 744 S HA 0.139 4.610 4.470 0.001 0.000 0.277 744 S C 1.249 175.905 174.600 0.093 0.000 1.346 744 S CA 0.348 58.605 58.200 0.095 0.000 1.034 744 S CB 1.066 64.328 63.200 0.104 0.000 0.879 744 S HN 0.550 nan 8.310 nan 0.000 0.528 745 S N 2.102 117.845 115.700 0.070 0.000 2.365 745 S HA -0.195 4.275 4.470 0.001 0.000 0.225 745 S C 2.069 176.731 174.600 0.103 0.000 1.039 745 S CA 2.280 60.525 58.200 0.075 0.000 1.033 745 S CB -1.614 61.612 63.200 0.043 0.000 0.887 745 S HN 1.050 nan 8.310 nan 0.000 0.447 746 T N -0.165 114.438 114.554 0.081 0.000 2.777 746 T HA 0.173 4.524 4.350 0.001 0.000 0.266 746 T C 2.024 176.773 174.700 0.082 0.000 1.040 746 T CA 1.309 63.456 62.100 0.079 0.000 1.141 746 T CB -1.016 67.889 68.868 0.062 0.000 0.868 746 T HN 0.483 nan 8.240 nan 0.000 0.444 747 A N 1.482 124.329 122.820 0.045 0.000 1.933 747 A HA -0.102 4.218 4.320 0.001 0.000 0.218 747 A C 2.195 179.719 177.584 -0.100 0.000 1.175 747 A CA 2.064 54.047 52.037 -0.090 0.000 0.628 747 A CB -1.230 17.682 19.000 -0.147 0.000 0.814 747 A HN 0.768 nan 8.150 nan 0.000 0.444 748 H N -0.118 118.934 119.070 -0.030 0.000 2.290 748 H HA -0.148 4.408 4.556 0.001 0.000 0.298 748 H C 2.111 177.508 175.328 0.115 0.000 1.087 748 H CA 2.386 58.478 56.048 0.073 0.000 1.291 748 H CB -0.272 29.538 29.762 0.081 0.000 1.369 748 H HN 0.572 nan 8.280 nan 0.000 0.492 749 Q N -0.991 118.802 119.800 -0.012 0.000 2.084 749 Q HA -0.199 4.142 4.340 0.001 0.000 0.202 749 Q C 2.251 178.231 176.000 -0.034 0.000 0.978 749 Q CA 1.395 57.155 55.803 -0.072 0.000 0.844 749 Q CB -0.212 28.528 28.738 0.003 0.000 0.898 749 Q HN 0.640 nan 8.270 nan 0.000 0.426 750 H N 0.624 119.658 119.070 -0.060 0.000 2.357 750 H HA -0.069 4.487 4.556 0.001 0.000 0.301 750 H C 2.016 177.333 175.328 -0.017 0.000 1.082 750 H CA 1.275 57.321 56.048 -0.004 0.000 1.342 750 H CB 0.017 29.824 29.762 0.075 0.000 1.389 750 H HN 0.284 nan 8.280 nan 0.000 0.511 751 I N 0.015 120.550 120.570 -0.059 0.000 2.202 751 I HA -0.312 3.859 4.170 0.001 0.000 0.242 751 I C 1.797 177.685 176.117 -0.382 0.000 1.091 751 I CA 1.170 62.355 61.300 -0.192 0.000 1.368 751 I CB -0.274 37.429 38.000 -0.495 0.000 1.058 751 I HN 0.108 nan 8.210 nan 0.000 0.410 752 Y N 0.939 121.029 120.300 -0.350 0.000 2.293 752 Y HA -0.202 4.349 4.550 0.001 0.000 0.291 752 Y C 2.695 178.389 175.900 -0.343 0.000 1.137 752 Y CA 1.812 59.592 58.100 -0.533 0.000 1.202 752 Y CB -0.824 37.322 38.460 -0.523 0.000 0.990 752 Y HN 0.169 nan 8.280 nan 0.000 0.537 753 T N -1.781 112.691 114.554 -0.137 0.000 2.737 753 T HA -0.213 4.138 4.350 0.001 0.000 0.265 753 T C 1.571 176.149 174.700 -0.204 0.000 1.038 753 T CA 1.800 63.782 62.100 -0.197 0.000 1.144 753 T CB -0.425 68.330 68.868 -0.188 0.000 0.866 753 T HN 0.404 nan 8.240 nan 0.000 0.434 754 H N 0.823 119.774 119.070 -0.199 0.000 2.353 754 H HA 0.122 4.679 4.556 0.001 0.000 0.300 754 H C 2.133 177.453 175.328 -0.013 0.000 1.090 754 H CA 1.492 57.505 56.048 -0.058 0.000 1.327 754 H CB -0.217 29.503 29.762 -0.070 0.000 1.383 754 H HN 0.257 nan 8.280 nan 0.000 0.508 755 M N -0.947 118.591 119.600 -0.103 0.000 2.175 755 M HA -0.132 4.348 4.480 0.001 0.000 0.264 755 M C 2.370 178.783 176.300 0.188 0.000 1.063 755 M CA 1.309 56.552 55.300 -0.094 0.000 1.119 755 M CB 0.071 32.373 32.600 -0.495 0.000 1.377 755 M HN 0.193 nan 8.290 nan 0.000 0.415 756 S N -0.538 115.292 115.700 0.217 0.000 2.368 756 S HA -0.149 4.321 4.470 0.001 0.000 0.225 756 S C 1.700 176.391 174.600 0.152 0.000 1.030 756 S CA 1.012 59.425 58.200 0.354 0.000 0.999 756 S CB -0.570 62.822 63.200 0.320 0.000 0.844 756 S HN 0.460 nan 8.310 nan 0.000 0.459 757 H N -0.029 119.101 119.070 0.099 0.000 2.352 757 H HA -0.056 4.501 4.556 0.001 0.000 0.299 757 H C 1.980 177.308 175.328 0.000 0.000 1.097 757 H CA 1.356 57.416 56.048 0.021 0.000 1.311 757 H CB -0.777 28.953 29.762 -0.054 0.000 1.377 757 H HN 0.444 nan 8.280 nan 0.000 0.504 758 F N 1.252 121.189 119.950 -0.022 0.000 2.102 758 F HA -0.192 4.336 4.527 0.001 0.000 0.298 758 F C 2.308 178.063 175.800 -0.075 0.000 1.105 758 F CA 0.944 58.899 58.000 -0.074 0.000 1.239 758 F CB -0.273 38.656 39.000 -0.118 0.000 0.991 758 F HN -0.038 nan 8.300 nan 0.000 0.474 759 I N 0.586 121.157 120.570 0.001 0.000 2.202 759 I HA -0.268 3.903 4.170 0.001 0.000 0.242 759 I C 2.245 178.162 176.117 -0.333 0.000 1.091 759 I CA 1.489 62.626 61.300 -0.271 0.000 1.368 759 I CB -1.354 36.554 38.000 -0.154 0.000 1.058 759 I HN 0.187 nan 8.210 nan 0.000 0.410 760 K N 0.326 120.675 120.400 -0.085 0.000 2.063 760 K HA -0.242 4.078 4.320 0.001 0.000 0.208 760 K C 2.143 178.729 176.600 -0.024 0.000 1.048 760 K CA 1.340 57.632 56.287 0.008 0.000 0.928 760 K CB -0.271 32.282 32.500 0.089 0.000 0.713 760 K HN 0.314 nan 8.250 nan 0.000 0.442 761 Q N 1.281 121.026 119.800 -0.092 0.000 2.050 761 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 761 Q C 2.304 178.205 176.000 -0.165 0.000 0.980 761 Q CA 2.018 57.749 55.803 -0.120 0.000 0.840 761 Q CB -0.737 27.901 28.738 -0.165 0.000 0.898 761 Q HN 0.454 nan 8.270 nan 0.000 0.424 762 c N 0.231 118.626 118.600 -0.341 0.000 2.413 762 c HA -0.098 4.472 4.570 0.001 0.000 0.277 762 c C 2.272 176.376 174.090 0.024 0.000 1.265 762 c CA 0.554 56.706 56.329 -0.295 0.000 1.752 762 c CB -1.386 40.794 42.510 -0.550 0.000 1.998 762 c HN 0.542 nan 8.230 nan 0.000 0.489 763 F N 1.528 121.441 119.950 -0.061 0.000 2.765 763 F HA 0.252 4.780 4.527 0.001 0.000 0.302 763 F C 1.648 177.435 175.800 -0.021 0.000 1.111 763 F CA 0.471 58.456 58.000 -0.024 0.000 1.359 763 F CB -1.165 37.830 39.000 -0.009 0.000 1.097 763 F HN 0.226 nan 8.300 nan 0.000 0.577 764 S N 0.973 116.758 115.700 0.142 0.000 3.783 764 S HA -0.183 4.287 4.470 0.001 0.000 0.360 764 S C -0.102 174.546 174.600 0.081 0.000 1.006 764 S CA 0.054 58.300 58.200 0.078 0.000 1.115 764 S CB -2.107 61.127 63.200 0.057 0.000 0.893 764 S HN 0.218 nan 8.310 nan 0.000 0.475 765 L N 0.652 121.934 121.223 0.099 0.000 2.309 765 L HA 0.495 4.836 4.340 0.001 0.000 0.282 765 L C -1.329 175.585 176.870 0.074 0.000 1.036 765 L CA -2.282 52.613 54.840 0.091 0.000 0.806 765 L CB 0.398 42.529 42.059 0.120 0.000 1.220 765 L HN 0.027 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.732 31.700 0.052 0.000 0.726