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 2bgr_1_A DATA FIRST_RESID 38 DATA SEQUENCE DSRKTYTLTD YLKNTYRLKL YSLRWISDHE YLYKQENNIL VFNAEYGNSS DATA SEQUENCE VFLENSTFDE FGHSINDYSI SPDGQFILLE YNYVKQWRHS YTASYDIYDL DATA SEQUENCE NKRQLITEER IPNNTQWVTW SPVGHKLAYV WNNDIYVKIE PNLPSYRITW DATA SEQUENCE TGKEDIIYNG ITDWVYEEEV FSAYSALWWS PNGTFLAYAQ FNDTEVPLIE DATA SEQUENCE YSFYSDESLQ YPKTVRVPYP KAGAVNPTVK FFVVNTDSLS SVTNATSIQI DATA SEQUENCE TAPASMLIGD HYLCDVTWAT QERISLQWLR RIQNYSVMDI cDYDESSGRW DATA SEQUENCE NcLVARQHIE MSTTGWVGRF RPSEPHFTLD GNSFYKIISN EEGYRHIcYF DATA SEQUENCE QIDKKDcTFI TKGTWEVIGI EALTSDYLYY ISNEYKGMPG GRNLYKIQLS DATA SEQUENCE DYTKVTCLSC ELNPERcQYY SVSFSKEAKY YQLRcSGPGL PLYTLHSSVN DATA SEQUENCE DKGLRVLEDN SALDKMLQNV QMPSKKLDFI ILNETKFWYQ MILPPHFDKS DATA SEQUENCE KKYPLLLDVY AGPCSQKADT VFRLNWATYL ASTENIIVAS FDGRGSGYQG DATA SEQUENCE DKIMHAINRR LGTFEVEDQI EAARQFSKMG FVDNKRIAIW GWSYGGYVTS DATA SEQUENCE MVLGSGSGVF KcGIAVAPVS RWEYYDSVYT ERYMGLPTPE DNLDHYRNST DATA SEQUENCE VMSRAENFKQ VEYLLIHGTA DDNVHFQQSA QISKALVDVG VDFQAMWYTD DATA SEQUENCE EDHGIASSTA HQHIYTHMSH FIKQcFSLP 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 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.331 176.300 0.052 0.000 2.045 38 D CA 0.000 54.020 54.000 0.034 0.000 0.868 38 D CB 0.000 40.858 40.800 0.097 0.000 0.688 39 S N 2.670 118.400 115.700 0.050 0.000 2.562 39 S HA 0.129 4.600 4.470 0.001 0.000 0.221 39 S C 0.944 175.582 174.600 0.064 0.000 0.975 39 S CA -0.110 58.120 58.200 0.050 0.000 0.918 39 S CB 0.103 63.327 63.200 0.040 0.000 0.772 39 S HN 0.359 nan 8.310 nan 0.000 0.531 40 R N 2.489 123.035 120.500 0.077 0.000 2.679 40 R HA 0.177 4.517 4.340 0.001 0.000 0.268 40 R C 0.445 176.800 176.300 0.092 0.000 1.044 40 R CA -0.044 56.106 56.100 0.083 0.000 1.105 40 R CB 0.448 30.798 30.300 0.085 0.000 0.989 40 R HN 0.572 nan 8.270 nan 0.000 0.447 41 K N 0.290 120.748 120.400 0.097 0.000 2.180 41 K HA 0.114 4.435 4.320 0.001 0.000 0.251 41 K C 0.005 176.677 176.600 0.121 0.000 1.014 41 K CA -0.497 55.855 56.287 0.109 0.000 0.913 41 K CB 0.573 33.146 32.500 0.120 0.000 1.008 41 K HN 0.605 nan 8.250 nan 0.000 0.490 42 T N -1.890 112.744 114.554 0.134 0.000 2.923 42 T HA 0.158 4.509 4.350 0.001 0.000 0.281 42 T C -0.730 174.099 174.700 0.214 0.000 0.995 42 T CA -0.794 61.401 62.100 0.158 0.000 0.985 42 T CB 0.493 69.452 68.868 0.152 0.000 1.114 42 T HN 0.539 nan 8.240 nan 0.000 0.548 43 Y N 2.356 122.721 120.300 0.108 0.000 2.486 43 Y HA 0.392 4.943 4.550 0.001 0.000 0.348 43 Y C 0.893 176.945 175.900 0.253 0.000 1.000 43 Y CA -0.293 57.903 58.100 0.158 0.000 1.253 43 Y CB -0.055 38.459 38.460 0.090 0.000 1.140 43 Y HN 1.015 nan 8.280 nan 0.000 0.526 44 T N 2.376 116.905 114.554 -0.042 0.000 2.897 44 T HA 0.163 4.514 4.350 0.001 0.000 0.278 44 T C 0.893 175.474 174.700 -0.198 0.000 0.981 44 T CA -0.812 61.311 62.100 0.038 0.000 0.973 44 T CB 1.289 70.156 68.868 -0.002 0.000 1.092 44 T HN 0.656 nan 8.240 nan 0.000 0.543 45 L N 0.969 121.902 121.223 -0.484 0.000 2.083 45 L HA 0.021 4.361 4.340 0.001 0.000 0.209 45 L C 2.574 179.300 176.870 -0.240 0.000 1.083 45 L CA 2.130 56.590 54.840 -0.632 0.000 0.752 45 L CB -1.484 40.108 42.059 -0.778 0.000 0.899 45 L HN 0.956 nan 8.230 nan 0.000 0.433 46 T N -0.564 113.877 114.554 -0.188 0.000 2.788 46 T HA -0.148 4.203 4.350 0.001 0.000 0.268 46 T C 1.467 176.082 174.700 -0.141 0.000 1.044 46 T CA 1.344 63.366 62.100 -0.131 0.000 1.139 46 T CB -0.370 68.442 68.868 -0.093 0.000 0.867 46 T HN 0.398 nan 8.240 nan 0.000 0.454 47 D N 0.372 120.656 120.400 -0.193 0.000 2.116 47 D HA -0.123 4.518 4.640 0.001 0.000 0.193 47 D C 1.755 177.966 176.300 -0.148 0.000 0.998 47 D CA 1.187 55.045 54.000 -0.238 0.000 0.836 47 D CB -0.499 40.031 40.800 -0.451 0.000 0.951 47 D HN 0.406 nan 8.370 nan 0.000 0.449 48 Y N 1.424 121.562 120.300 -0.269 0.000 2.097 48 Y HA -0.153 4.398 4.550 0.001 0.000 0.282 48 Y C 2.223 178.138 175.900 0.026 0.000 1.152 48 Y CA 1.345 59.451 58.100 0.011 0.000 1.136 48 Y CB -0.588 37.935 38.460 0.105 0.000 0.975 48 Y HN -0.073 nan 8.280 nan 0.000 0.498 49 L N -0.207 120.848 121.223 -0.280 0.000 2.179 49 L HA -0.109 4.232 4.340 0.001 0.000 0.208 49 L C 1.801 178.573 176.870 -0.163 0.000 1.096 49 L CA 1.024 55.687 54.840 -0.294 0.000 0.779 49 L CB -0.365 41.593 42.059 -0.168 0.000 0.922 49 L HN 0.021 nan 8.230 nan 0.000 0.443 50 K N -0.241 120.085 120.400 -0.124 0.000 2.374 50 K HA 0.131 4.452 4.320 0.001 0.000 0.196 50 K C 0.045 176.597 176.600 -0.080 0.000 1.023 50 K CA -0.113 56.121 56.287 -0.089 0.000 1.103 50 K CB -0.120 32.331 32.500 -0.083 0.000 0.848 50 K HN 0.190 nan 8.250 nan 0.000 0.528 51 N N 1.699 120.358 118.700 -0.068 0.000 2.725 51 N HA -0.160 4.581 4.740 0.001 0.000 0.251 51 N C 0.763 176.255 175.510 -0.031 0.000 1.031 51 N CA 1.218 54.263 53.050 -0.008 0.000 0.720 51 N CB -1.439 37.039 38.487 -0.015 0.000 0.930 51 N HN 0.466 nan 8.380 nan 0.000 0.543 52 T N -4.203 110.290 114.554 -0.102 0.000 2.915 52 T HA -0.136 4.215 4.350 0.001 0.000 0.269 52 T C 0.586 175.049 174.700 -0.395 0.000 1.071 52 T CA 1.048 62.976 62.100 -0.288 0.000 1.132 52 T CB -0.101 68.512 68.868 -0.426 0.000 0.878 52 T HN 0.321 nan 8.240 nan 0.000 0.479 53 Y N 1.435 121.820 120.300 0.142 0.000 2.478 53 Y HA 0.624 5.175 4.550 0.001 0.000 0.329 53 Y C 0.355 176.358 175.900 0.171 0.000 0.967 53 Y CA -1.472 56.736 58.100 0.180 0.000 1.255 53 Y CB 0.939 39.568 38.460 0.282 0.000 1.103 53 Y HN -0.027 nan 8.280 nan 0.000 0.497 54 R N 3.128 123.767 120.500 0.232 0.000 2.338 54 R HA 0.543 4.884 4.340 0.001 0.000 0.317 54 R C -0.986 175.414 176.300 0.167 0.000 0.968 54 R CA -0.634 55.568 56.100 0.170 0.000 0.849 54 R CB 0.830 31.188 30.300 0.096 0.000 1.128 54 R HN 0.670 nan 8.270 nan 0.000 0.448 55 L N 4.326 125.652 121.223 0.171 0.000 2.455 55 L HA 0.148 4.489 4.340 0.001 0.000 0.272 55 L C 0.383 177.322 176.870 0.116 0.000 1.174 55 L CA 0.405 55.336 54.840 0.152 0.000 0.869 55 L CB 0.447 42.614 42.059 0.179 0.000 1.130 55 L HN 0.429 nan 8.230 nan 0.000 0.474 56 K N 4.431 124.893 120.400 0.103 0.000 2.174 56 K HA 0.582 4.903 4.320 0.001 0.000 0.275 56 K C -0.562 176.070 176.600 0.053 0.000 1.015 56 K CA -0.498 55.830 56.287 0.068 0.000 0.933 56 K CB 1.303 33.838 32.500 0.059 0.000 1.025 56 K HN 0.430 nan 8.250 nan 0.000 0.463 57 L N 1.381 122.572 121.223 -0.054 0.000 2.260 57 L HA 0.502 4.843 4.340 0.001 0.000 0.265 57 L C -0.863 175.738 176.870 -0.450 0.000 1.015 57 L CA -1.160 53.527 54.840 -0.256 0.000 0.826 57 L CB 0.724 42.739 42.059 -0.074 0.000 1.373 57 L HN 0.563 nan 8.230 nan 0.000 0.450 58 Y N 0.188 119.958 120.300 -0.882 0.000 2.484 58 Y HA 0.296 4.847 4.550 0.001 0.000 0.348 58 Y C -0.775 174.971 175.900 -0.256 0.000 1.103 58 Y CA -0.497 57.305 58.100 -0.496 0.000 1.317 58 Y CB 1.280 39.320 38.460 -0.701 0.000 1.096 58 Y HN 0.416 nan 8.280 nan 0.000 0.568 59 S N 6.097 121.745 115.700 -0.087 0.000 2.411 59 S HA 0.523 4.993 4.470 0.001 0.000 0.294 59 S C -0.575 174.004 174.600 -0.034 0.000 1.115 59 S CA -0.550 57.631 58.200 -0.031 0.000 1.071 59 S CB -0.179 63.000 63.200 -0.035 0.000 0.967 59 S HN 0.556 nan 8.310 nan 0.000 0.488 60 L N 1.667 122.839 121.223 -0.086 0.000 2.313 60 L HA 0.797 5.138 4.340 0.001 0.000 0.268 60 L C -0.271 176.514 176.870 -0.143 0.000 1.010 60 L CA -0.915 53.821 54.840 -0.173 0.000 0.814 60 L CB 0.801 42.469 42.059 -0.652 0.000 1.304 60 L HN 0.331 nan 8.230 nan 0.000 0.441 61 R N 0.763 121.213 120.500 -0.084 0.000 2.435 61 R HA 0.376 4.717 4.340 0.001 0.000 0.308 61 R C -1.703 174.620 176.300 0.039 0.000 0.975 61 R CA -0.282 55.822 56.100 0.006 0.000 0.867 61 R CB 1.103 31.441 30.300 0.063 0.000 1.171 61 R HN 0.663 nan 8.270 nan 0.000 0.470 62 W N 4.461 125.851 121.300 0.151 0.000 2.251 62 W HA 0.108 4.769 4.660 0.001 0.000 0.327 62 W C 1.509 178.100 176.519 0.120 0.000 1.361 62 W CA -0.366 57.079 57.345 0.167 0.000 1.234 62 W CB 0.484 30.042 29.460 0.163 0.000 1.212 62 W HN 0.652 nan 8.180 nan 0.000 0.557 63 I N 0.398 121.174 120.570 0.343 0.000 4.154 63 I HA 0.341 4.512 4.170 0.001 0.000 0.334 63 I C 0.512 176.731 176.117 0.170 0.000 1.371 63 I CA -0.141 61.268 61.300 0.182 0.000 1.110 63 I CB -0.129 37.906 38.000 0.057 0.000 1.085 63 I HN 0.268 nan 8.210 nan 0.000 0.398 64 S N -0.693 115.151 115.700 0.241 0.000 2.755 64 S HA 0.263 4.733 4.470 0.001 0.000 0.286 64 S C -0.169 174.573 174.600 0.236 0.000 1.207 64 S CA -0.222 58.095 58.200 0.195 0.000 0.892 64 S CB 1.322 64.601 63.200 0.132 0.000 1.240 64 S HN 0.042 nan 8.310 nan 0.000 0.525 65 D N -0.013 120.535 120.400 0.246 0.000 2.347 65 D HA 0.087 4.727 4.640 0.001 0.000 0.215 65 D C 1.229 177.772 176.300 0.405 0.000 0.976 65 D CA 1.486 55.623 54.000 0.229 0.000 0.884 65 D CB -0.016 40.899 40.800 0.192 0.000 0.915 65 D HN 0.671 nan 8.370 nan 0.000 0.526 66 H N -2.343 116.897 119.070 0.284 0.000 3.540 66 H HA 0.376 4.933 4.556 0.001 0.000 0.259 66 H C -0.338 175.140 175.328 0.250 0.000 1.197 66 H CA -0.286 55.929 56.048 0.277 0.000 1.136 66 H CB 0.190 30.090 29.762 0.231 0.000 1.605 66 H HN 0.001 nan 8.280 nan 0.000 0.657 67 E N 0.970 121.182 120.200 0.019 0.000 2.312 67 E HA 0.424 4.775 4.350 0.001 0.000 0.267 67 E C -1.490 175.238 176.600 0.214 0.000 0.894 67 E CA -1.244 55.138 56.400 -0.030 0.000 0.773 67 E CB 2.909 32.462 29.700 -0.246 0.000 1.241 67 E HN 0.292 nan 8.360 nan 0.000 0.432 68 Y N -0.767 119.507 120.300 -0.044 0.000 2.581 68 Y HA 0.638 5.189 4.550 0.001 0.000 0.345 68 Y C -1.564 174.306 175.900 -0.051 0.000 1.036 68 Y CA -1.309 56.685 58.100 -0.176 0.000 1.042 68 Y CB 0.816 38.849 38.460 -0.713 0.000 1.289 68 Y HN 0.328 nan 8.280 nan 0.000 0.471 69 L N 2.942 124.265 121.223 0.166 0.000 2.334 69 L HA 0.548 4.889 4.340 0.001 0.000 0.275 69 L C -1.339 175.718 176.870 0.312 0.000 1.036 69 L CA -1.036 53.891 54.840 0.145 0.000 0.807 69 L CB 1.663 43.728 42.059 0.010 0.000 1.231 69 L HN 0.807 nan 8.230 nan 0.000 0.438 70 Y N 2.061 122.443 120.300 0.136 0.000 2.390 70 Y HA 0.271 4.822 4.550 0.001 0.000 0.324 70 Y C -0.948 174.976 175.900 0.040 0.000 1.151 70 Y CA -1.116 57.003 58.100 0.031 0.000 1.053 70 Y CB 1.361 39.800 38.460 -0.035 0.000 1.277 70 Y HN 0.437 nan 8.280 nan 0.000 0.432 71 K N 5.053 125.067 120.400 -0.644 0.000 2.276 71 K HA 0.218 4.539 4.320 0.001 0.000 0.285 71 K C 0.084 176.290 176.600 -0.657 0.000 1.062 71 K CA -0.020 55.996 56.287 -0.452 0.000 0.918 71 K CB 1.437 33.789 32.500 -0.246 0.000 1.055 71 K HN 0.971 nan 8.250 nan 0.000 0.477 72 Q N 2.997 122.623 119.800 -0.290 0.000 2.377 72 Q HA 0.056 4.396 4.340 0.001 0.000 0.193 72 Q C -0.295 175.651 176.000 -0.089 0.000 0.986 72 Q CA 0.499 56.217 55.803 -0.142 0.000 0.851 72 Q CB 0.583 29.365 28.738 0.074 0.000 0.986 72 Q HN 0.611 nan 8.270 nan 0.000 0.559 73 E N 0.807 120.975 120.200 -0.054 0.000 3.351 73 E HA 0.217 4.568 4.350 0.001 0.000 0.220 73 E C -0.987 175.580 176.600 -0.055 0.000 1.150 73 E CA -0.184 56.189 56.400 -0.045 0.000 1.359 73 E CB 0.538 30.224 29.700 -0.022 0.000 1.365 73 E HN 0.360 nan 8.360 nan 0.000 0.434 74 N N 0.331 118.986 118.700 -0.074 0.000 2.900 74 N HA -0.188 4.553 4.740 0.001 0.000 0.240 74 N C -0.664 174.797 175.510 -0.083 0.000 0.953 74 N CA 1.029 54.037 53.050 -0.071 0.000 0.950 74 N CB -1.297 37.161 38.487 -0.048 0.000 1.102 74 N HN 0.375 nan 8.380 nan 0.000 0.593 75 N N 0.461 119.114 118.700 -0.078 0.000 2.493 75 N HA 0.522 5.263 4.740 0.001 0.000 0.275 75 N C 0.089 175.554 175.510 -0.076 0.000 1.186 75 N CA -0.116 52.890 53.050 -0.074 0.000 0.978 75 N CB 1.155 39.612 38.487 -0.050 0.000 1.184 75 N HN 0.133 nan 8.380 nan 0.000 0.487 76 I N 1.803 122.342 120.570 -0.052 0.000 2.355 76 I HA 0.266 4.437 4.170 0.001 0.000 0.288 76 I C -0.627 175.534 176.117 0.073 0.000 0.999 76 I CA -0.449 60.840 61.300 -0.018 0.000 1.163 76 I CB 0.630 38.596 38.000 -0.057 0.000 1.316 76 I HN 0.219 nan 8.210 nan 0.000 0.454 77 L N 6.578 127.857 121.223 0.093 0.000 2.344 77 L HA 0.606 4.946 4.340 0.001 0.000 0.272 77 L C -0.336 176.572 176.870 0.064 0.000 1.035 77 L CA -0.985 53.897 54.840 0.069 0.000 0.807 77 L CB 2.198 44.301 42.059 0.074 0.000 1.237 77 L HN 0.292 nan 8.230 nan 0.000 0.442 78 V N 2.261 122.138 119.914 -0.062 0.000 2.459 78 V HA 0.497 4.618 4.120 0.001 0.000 0.295 78 V C -1.019 174.881 176.094 -0.325 0.000 1.029 78 V CA -0.239 61.995 62.300 -0.109 0.000 0.874 78 V CB 1.499 33.287 31.823 -0.058 0.000 0.985 78 V HN 0.456 nan 8.190 nan 0.000 0.438 79 F N 5.406 125.089 119.950 -0.445 0.000 2.469 79 F HA 0.472 5.000 4.527 0.001 0.000 0.332 79 F C 0.517 176.021 175.800 -0.492 0.000 1.103 79 F CA -0.485 57.173 58.000 -0.571 0.000 0.979 79 F CB 1.622 39.915 39.000 -1.178 0.000 1.137 79 F HN 0.510 nan 8.300 nan 0.000 0.463 80 N N 2.348 120.974 118.700 -0.123 0.000 2.430 80 N HA 0.179 4.920 4.740 0.001 0.000 0.265 80 N C 0.557 176.024 175.510 -0.071 0.000 1.100 80 N CA 0.182 53.203 53.050 -0.049 0.000 0.961 80 N CB 1.718 40.254 38.487 0.081 0.000 1.075 80 N HN 0.842 nan 8.380 nan 0.000 0.478 81 A N 3.770 126.500 122.820 -0.149 0.000 1.930 81 A HA -0.155 4.165 4.320 0.001 0.000 0.217 81 A C 1.890 179.240 177.584 -0.390 0.000 1.175 81 A CA 1.313 53.177 52.037 -0.288 0.000 0.627 81 A CB -0.328 18.292 19.000 -0.633 0.000 0.815 81 A HN 0.778 nan 8.150 nan 0.000 0.443 82 E N -1.112 118.831 120.200 -0.429 0.000 2.072 82 E HA -0.132 4.219 4.350 0.001 0.000 0.191 82 E C 1.226 177.577 176.600 -0.415 0.000 0.985 82 E CA 1.599 57.731 56.400 -0.448 0.000 0.801 82 E CB -0.264 29.017 29.700 -0.699 0.000 0.750 82 E HN 0.717 nan 8.360 nan 0.000 0.452 83 Y N -2.179 118.135 120.300 0.023 0.000 2.483 83 Y HA 0.387 4.938 4.550 0.001 0.000 0.258 83 Y C 1.629 177.541 175.900 0.021 0.000 1.083 83 Y CA 0.255 58.368 58.100 0.022 0.000 1.283 83 Y CB 0.709 39.181 38.460 0.021 0.000 1.178 83 Y HN 0.137 nan 8.280 nan 0.000 0.515 84 G N 1.063 109.953 108.800 0.150 0.000 2.179 84 G HA2 -0.319 3.642 3.960 0.001 0.000 0.260 84 G HA3 -0.319 3.642 3.960 0.001 0.000 0.260 84 G C 0.068 175.064 174.900 0.160 0.000 0.977 84 G CA 0.190 45.390 45.100 0.167 0.000 0.641 84 G HN 0.461 nan 8.290 nan 0.000 0.533 85 N N 0.658 119.412 118.700 0.090 0.000 2.482 85 N HA 0.507 5.248 4.740 0.001 0.000 0.260 85 N C 0.147 175.515 175.510 -0.236 0.000 1.236 85 N CA 0.732 53.760 53.050 -0.038 0.000 0.938 85 N CB 1.376 39.853 38.487 -0.016 0.000 1.128 85 N HN 0.965 nan 8.380 nan 0.000 0.448 86 S N -0.538 114.925 115.700 -0.395 0.000 2.661 86 S HA 0.762 5.233 4.470 0.001 0.000 0.285 86 S C -0.867 173.523 174.600 -0.349 0.000 1.138 86 S CA -0.841 56.968 58.200 -0.650 0.000 0.855 86 S CB 1.536 63.909 63.200 -1.378 0.000 1.136 86 S HN 0.623 nan 8.310 nan 0.000 0.484 87 S N 0.066 115.590 115.700 -0.293 0.000 2.595 87 S HA 0.600 5.071 4.470 0.001 0.000 0.281 87 S C -0.892 173.640 174.600 -0.113 0.000 1.117 87 S CA -0.758 57.349 58.200 -0.156 0.000 0.873 87 S CB 1.627 64.771 63.200 -0.092 0.000 1.108 87 S HN 0.745 nan 8.310 nan 0.000 0.477 88 V N 2.970 122.839 119.914 -0.075 0.000 2.479 88 V HA 0.157 4.278 4.120 0.001 0.000 0.281 88 V C 0.439 176.539 176.094 0.011 0.000 1.031 88 V CA 0.294 62.572 62.300 -0.037 0.000 1.038 88 V CB 0.062 31.849 31.823 -0.061 0.000 0.981 88 V HN 0.947 nan 8.190 nan 0.000 0.478 89 F N 5.228 125.122 119.950 -0.093 0.000 2.374 89 F HA 0.403 4.930 4.527 0.001 0.000 0.291 89 F C 0.614 176.364 175.800 -0.084 0.000 1.084 89 F CA 0.698 58.652 58.000 -0.077 0.000 1.413 89 F CB 0.513 39.480 39.000 -0.056 0.000 1.099 89 F HN 0.264 nan 8.300 nan 0.000 0.534 90 L N 1.399 122.646 121.223 0.040 0.000 2.516 90 L HA 0.271 4.612 4.340 0.001 0.000 0.267 90 L C -1.002 175.796 176.870 -0.120 0.000 0.957 90 L CA -0.905 53.873 54.840 -0.104 0.000 0.860 90 L CB 1.918 43.954 42.059 -0.038 0.000 1.265 90 L HN -0.184 nan 8.230 nan 0.000 0.403 91 E N 1.738 121.830 120.200 -0.179 0.000 2.413 91 E HA -0.030 4.321 4.350 0.001 0.000 0.263 91 E C 0.949 177.439 176.600 -0.183 0.000 1.015 91 E CA 0.100 56.399 56.400 -0.168 0.000 0.916 91 E CB 0.717 30.306 29.700 -0.185 0.000 0.947 91 E HN 0.548 nan 8.360 nan 0.000 0.440 92 N N 0.949 119.572 118.700 -0.129 0.000 2.520 92 N HA -0.165 4.576 4.740 0.001 0.000 0.185 92 N C 0.999 176.440 175.510 -0.115 0.000 1.068 92 N CA 1.210 54.196 53.050 -0.106 0.000 0.911 92 N CB -0.182 38.262 38.487 -0.072 0.000 0.961 92 N HN 0.268 nan 8.380 nan 0.000 0.446 93 S N -1.676 113.937 115.700 -0.145 0.000 2.575 93 S HA 0.056 4.526 4.470 0.001 0.000 0.215 93 S C 1.319 175.781 174.600 -0.230 0.000 0.966 93 S CA 0.130 58.245 58.200 -0.143 0.000 0.911 93 S CB -0.690 62.439 63.200 -0.119 0.000 0.780 93 S HN 0.238 nan 8.310 nan 0.000 0.514 94 T N 1.572 115.887 114.554 -0.399 0.000 2.746 94 T HA 0.042 4.393 4.350 0.001 0.000 0.267 94 T C 0.253 174.447 174.700 -0.842 0.000 1.039 94 T CA 1.135 62.798 62.100 -0.728 0.000 1.142 94 T CB -0.447 67.731 68.868 -1.151 0.000 0.866 94 T HN 0.552 nan 8.240 nan 0.000 0.444 95 F N 1.260 121.096 119.950 -0.189 0.000 2.925 95 F HA 0.379 4.907 4.527 0.001 0.000 0.302 95 F C 0.979 176.767 175.800 -0.019 0.000 1.189 95 F CA -1.424 56.495 58.000 -0.135 0.000 1.346 95 F CB -0.189 38.648 39.000 -0.271 0.000 0.954 95 F HN -0.059 nan 8.300 nan 0.000 0.506 96 D N 0.565 120.993 120.400 0.046 0.000 2.144 96 D HA -0.132 4.509 4.640 0.001 0.000 0.199 96 D C 1.394 177.732 176.300 0.063 0.000 0.984 96 D CA 1.396 55.419 54.000 0.040 0.000 0.834 96 D CB 0.135 40.927 40.800 -0.014 0.000 0.955 96 D HN 0.280 nan 8.370 nan 0.000 0.465 97 E N -0.882 119.366 120.200 0.081 0.000 2.437 97 E HA 0.100 4.451 4.350 0.001 0.000 0.195 97 E C 0.764 177.432 176.600 0.113 0.000 1.029 97 E CA -0.339 56.099 56.400 0.063 0.000 0.948 97 E CB -0.155 29.568 29.700 0.037 0.000 1.082 97 E HN 0.117 nan 8.360 nan 0.000 0.456 98 F N 0.642 120.599 119.950 0.012 0.000 2.186 98 F HA 0.017 4.545 4.527 0.001 0.000 0.299 98 F C 1.836 177.554 175.800 -0.135 0.000 1.090 98 F CA 1.845 59.844 58.000 -0.002 0.000 1.307 98 F CB -0.002 39.012 39.000 0.022 0.000 1.019 98 F HN 0.187 nan 8.300 nan 0.000 0.489 99 G N -0.729 107.876 108.800 -0.324 0.000 2.175 99 G HA2 -0.215 3.745 3.960 0.001 0.000 0.244 99 G HA3 -0.215 3.745 3.960 0.001 0.000 0.244 99 G C 0.053 174.361 174.900 -0.987 0.000 0.982 99 G CA 0.221 44.953 45.100 -0.614 0.000 0.641 99 G HN 0.616 nan 8.290 nan 0.000 0.527 100 H N -0.145 118.668 119.070 -0.429 0.000 2.961 100 H HA 0.551 5.108 4.556 0.001 0.000 0.371 100 H C 0.014 175.334 175.328 -0.013 0.000 1.190 100 H CA -0.109 55.778 56.048 -0.269 0.000 1.138 100 H CB 1.532 30.971 29.762 -0.538 0.000 1.816 100 H HN 0.403 nan 8.280 nan 0.000 0.551 101 S N 1.906 117.697 115.700 0.151 0.000 2.528 101 S HA 0.337 4.808 4.470 0.001 0.000 0.277 101 S C 0.407 175.118 174.600 0.186 0.000 1.297 101 S CA -0.693 57.593 58.200 0.143 0.000 1.052 101 S CB 0.255 63.510 63.200 0.091 0.000 0.917 101 S HN 0.385 nan 8.310 nan 0.000 0.492 102 I N 2.912 123.570 120.570 0.146 0.000 2.342 102 I HA 0.204 4.375 4.170 0.001 0.000 0.291 102 I C 1.392 177.553 176.117 0.074 0.000 1.010 102 I CA -0.484 60.887 61.300 0.118 0.000 1.308 102 I CB 1.038 39.036 38.000 -0.002 0.000 1.400 102 I HN 0.784 nan 8.210 nan 0.000 0.488 103 N N 3.538 122.275 118.700 0.061 0.000 2.290 103 N HA -0.057 4.684 4.740 0.001 0.000 0.179 103 N C -0.055 175.430 175.510 -0.042 0.000 1.016 103 N CA 1.096 54.125 53.050 -0.035 0.000 0.871 103 N CB 0.398 38.826 38.487 -0.098 0.000 0.987 103 N HN 0.684 nan 8.380 nan 0.000 0.431 104 D N -2.801 117.615 120.400 0.026 0.000 2.725 104 D HA 0.183 4.824 4.640 0.001 0.000 0.292 104 D C -1.736 174.659 176.300 0.158 0.000 1.288 104 D CA -0.524 53.503 54.000 0.046 0.000 0.784 104 D CB 0.616 41.394 40.800 -0.037 0.000 1.308 104 D HN 0.070 nan 8.370 nan 0.000 0.429 105 Y N -1.399 118.938 120.300 0.062 0.000 2.615 105 Y HA 0.766 5.317 4.550 0.001 0.000 0.341 105 Y C -1.210 174.781 175.900 0.150 0.000 1.089 105 Y CA -0.954 57.205 58.100 0.097 0.000 1.049 105 Y CB 1.792 40.297 38.460 0.076 0.000 1.296 105 Y HN 0.169 nan 8.280 nan 0.000 0.470 106 S N 2.090 117.993 115.700 0.338 0.000 2.689 106 S HA 0.581 5.052 4.470 0.001 0.000 0.274 106 S C -1.493 173.450 174.600 0.572 0.000 1.176 106 S CA -0.486 57.913 58.200 0.332 0.000 1.014 106 S CB 0.245 63.612 63.200 0.279 0.000 1.071 106 S HN 0.685 nan 8.310 nan 0.000 0.478 107 I N 4.238 125.053 120.570 0.408 0.000 2.472 107 I HA 0.291 4.462 4.170 0.001 0.000 0.290 107 I C 0.947 176.981 176.117 -0.138 0.000 1.016 107 I CA -0.223 61.224 61.300 0.245 0.000 1.348 107 I CB 1.699 39.800 38.000 0.169 0.000 1.417 107 I HN 0.753 nan 8.210 nan 0.000 0.521 108 S N 5.717 121.043 115.700 -0.622 0.000 2.572 108 S HA 0.184 4.655 4.470 0.001 0.000 0.279 108 S C -1.829 172.500 174.600 -0.452 0.000 1.341 108 S CA -0.959 56.491 58.200 -1.250 0.000 1.043 108 S CB 0.712 63.011 63.200 -1.502 0.000 0.887 108 S HN 0.409 nan 8.310 nan 0.000 0.516 109 P HA -0.148 nan 4.420 nan 0.000 0.217 109 P C 0.758 178.012 177.300 -0.077 0.000 1.148 109 P CA 1.595 64.620 63.100 -0.125 0.000 0.828 109 P CB -0.168 31.477 31.700 -0.093 0.000 0.783 110 D N -2.143 118.207 120.400 -0.082 0.000 2.328 110 D HA 0.091 4.732 4.640 0.001 0.000 0.226 110 D C 1.381 177.687 176.300 0.011 0.000 1.066 110 D CA 0.487 54.481 54.000 -0.011 0.000 0.861 110 D CB -1.093 39.725 40.800 0.031 0.000 0.912 110 D HN 0.208 nan 8.370 nan 0.000 0.521 111 G N 0.387 109.188 108.800 0.001 0.000 2.168 111 G HA2 -0.404 3.557 3.960 0.001 0.000 0.263 111 G HA3 -0.404 3.557 3.960 0.001 0.000 0.263 111 G C 0.956 175.890 174.900 0.056 0.000 0.977 111 G CA 0.613 45.784 45.100 0.118 0.000 0.659 111 G HN 0.481 nan 8.290 nan 0.000 0.533 112 Q N -1.545 118.197 119.800 -0.096 0.000 2.376 112 Q HA 0.389 4.730 4.340 0.001 0.000 0.206 112 Q C 0.182 175.712 176.000 -0.782 0.000 0.921 112 Q CA 0.582 56.135 55.803 -0.418 0.000 0.911 112 Q CB 0.451 28.901 28.738 -0.481 0.000 1.032 112 Q HN 0.569 nan 8.270 nan 0.000 0.510 113 F N -0.313 119.587 119.950 -0.084 0.000 2.599 113 F HA 0.516 5.044 4.527 0.001 0.000 0.311 113 F C -0.609 175.293 175.800 0.171 0.000 1.076 113 F CA -1.177 56.841 58.000 0.031 0.000 0.937 113 F CB 1.858 40.885 39.000 0.044 0.000 1.282 113 F HN -0.205 nan 8.300 nan 0.000 0.460 114 I N 2.981 123.876 120.570 0.542 0.000 2.498 114 I HA 0.516 4.687 4.170 0.001 0.000 0.290 114 I C -1.859 174.573 176.117 0.525 0.000 1.032 114 I CA -1.075 60.547 61.300 0.536 0.000 1.073 114 I CB 1.625 39.889 38.000 0.440 0.000 1.251 114 I HN 0.543 nan 8.210 nan 0.000 0.426 115 L N 8.233 129.783 121.223 0.544 0.000 2.265 115 L HA 0.497 4.838 4.340 0.001 0.000 0.288 115 L C -1.251 175.773 176.870 0.258 0.000 1.058 115 L CA -0.053 54.988 54.840 0.335 0.000 0.809 115 L CB 1.043 43.218 42.059 0.195 0.000 1.179 115 L HN 0.495 nan 8.230 nan 0.000 0.429 116 L N 5.218 126.533 121.223 0.153 0.000 2.280 116 L HA 0.488 4.829 4.340 0.001 0.000 0.287 116 L C -0.080 176.868 176.870 0.131 0.000 1.023 116 L CA -0.397 54.461 54.840 0.030 0.000 0.819 116 L CB 1.469 43.324 42.059 -0.340 0.000 1.212 116 L HN 0.608 nan 8.230 nan 0.000 0.420 117 E N 4.099 124.348 120.200 0.082 0.000 2.174 117 E HA 0.446 4.796 4.350 0.001 0.000 0.282 117 E C -1.556 175.043 176.600 -0.001 0.000 0.992 117 E CA -0.464 55.843 56.400 -0.156 0.000 0.803 117 E CB 1.088 30.771 29.700 -0.028 0.000 1.090 117 E HN 0.457 nan 8.360 nan 0.000 0.396 118 Y N 1.533 121.688 120.300 -0.241 0.000 2.744 118 Y HA 0.401 4.951 4.550 0.001 0.000 0.330 118 Y C -0.257 175.574 175.900 -0.115 0.000 1.263 118 Y CA -1.459 56.583 58.100 -0.096 0.000 1.065 118 Y CB 0.441 38.900 38.460 -0.002 0.000 1.306 118 Y HN 0.477 nan 8.280 nan 0.000 0.459 119 N N -0.216 118.538 118.700 0.091 0.000 2.727 119 N HA -0.309 4.432 4.740 0.001 0.000 0.249 119 N C -1.011 174.491 175.510 -0.012 0.000 1.048 119 N CA 1.074 54.126 53.050 0.003 0.000 0.714 119 N CB -1.577 36.837 38.487 -0.122 0.000 0.959 119 N HN 0.841 nan 8.380 nan 0.000 0.544 120 Y N 0.047 120.300 120.300 -0.078 0.000 2.632 120 Y HA 0.261 4.811 4.550 0.001 0.000 0.329 120 Y C 0.087 175.970 175.900 -0.028 0.000 1.174 120 Y CA 0.017 58.074 58.100 -0.072 0.000 1.469 120 Y CB 0.694 39.072 38.460 -0.137 0.000 1.242 120 Y HN -0.005 nan 8.280 nan 0.000 0.540 121 V N 7.999 127.592 119.914 -0.534 0.000 2.447 121 V HA 0.191 4.312 4.120 0.001 0.000 0.292 121 V C -0.270 175.465 176.094 -0.599 0.000 1.021 121 V CA -1.452 60.599 62.300 -0.416 0.000 0.850 121 V CB 1.273 32.978 31.823 -0.196 0.000 1.005 121 V HN 0.753 nan 8.190 nan 0.000 0.426 122 K N 3.520 123.578 120.400 -0.570 0.000 2.436 122 K HA 0.176 4.497 4.320 0.001 0.000 0.275 122 K C 0.412 176.852 176.600 -0.268 0.000 0.999 122 K CA 0.281 56.369 56.287 -0.331 0.000 0.980 122 K CB 1.144 33.639 32.500 -0.007 0.000 0.919 122 K HN 0.824 nan 8.250 nan 0.000 0.484 123 Q N 2.693 122.312 119.800 -0.301 0.000 2.729 123 Q HA 0.158 4.499 4.340 0.001 0.000 0.228 123 Q C 0.043 175.790 176.000 -0.421 0.000 1.021 123 Q CA -0.309 55.121 55.803 -0.622 0.000 0.561 123 Q CB 0.105 28.302 28.738 -0.902 0.000 3.921 123 Q HN 0.721 nan 8.270 nan 0.000 0.430 124 W N 0.073 121.366 121.300 -0.013 0.000 1.836 124 W HA 0.377 5.038 4.660 0.001 0.000 0.628 124 W C 1.822 178.319 176.519 -0.036 0.000 1.626 124 W CA -0.745 56.614 57.345 0.023 0.000 1.714 124 W CB -0.152 29.284 29.460 -0.040 0.000 3.166 124 W HN 0.269 nan 8.180 nan 0.000 0.772 125 R N -0.619 119.950 120.500 0.116 0.000 2.092 125 R HA -0.138 4.202 4.340 0.001 0.000 0.231 125 R C 1.698 177.828 176.300 -0.283 0.000 1.119 125 R CA 1.710 57.708 56.100 -0.170 0.000 0.970 125 R CB -0.331 29.703 30.300 -0.442 0.000 0.864 125 R HN 0.492 nan 8.270 nan 0.000 0.440 126 H N -1.384 117.757 119.070 0.118 0.000 2.927 126 H HA 0.164 4.720 4.556 0.001 0.000 0.255 126 H C 0.570 175.988 175.328 0.151 0.000 0.974 126 H CA 0.451 56.591 56.048 0.153 0.000 1.199 126 H CB 0.275 30.098 29.762 0.102 0.000 1.447 126 H HN 0.130 nan 8.280 nan 0.000 0.467 127 S N 1.384 117.077 115.700 -0.011 0.000 2.585 127 S HA 0.384 4.855 4.470 0.001 0.000 0.273 127 S C -0.296 174.202 174.600 -0.169 0.000 1.339 127 S CA -0.480 57.435 58.200 -0.475 0.000 1.028 127 S CB 0.660 63.038 63.200 -1.370 0.000 0.906 127 S HN 0.447 nan 8.310 nan 0.000 0.528 128 Y N -2.261 117.908 120.300 -0.218 0.000 2.702 128 Y HA 0.651 5.202 4.550 0.001 0.000 0.336 128 Y C -0.719 175.155 175.900 -0.045 0.000 1.203 128 Y CA -0.910 57.053 58.100 -0.230 0.000 1.072 128 Y CB 0.491 38.757 38.460 -0.324 0.000 1.327 128 Y HN 0.883 nan 8.280 nan 0.000 0.456 129 T N -0.057 114.521 114.554 0.040 0.000 2.942 129 T HA 1.018 5.369 4.350 0.001 0.000 0.289 129 T C -0.462 174.307 174.700 0.116 0.000 1.044 129 T CA -0.199 61.952 62.100 0.086 0.000 1.023 129 T CB 1.773 70.659 68.868 0.029 0.000 1.123 129 T HN 1.910 nan 8.240 nan 0.000 0.512 130 A N 0.712 123.575 122.820 0.072 0.000 2.586 130 A HA 0.735 5.055 4.320 0.001 0.000 0.290 130 A C -0.545 176.822 177.584 -0.362 0.000 1.086 130 A CA -0.976 50.964 52.037 -0.162 0.000 0.665 130 A CB 1.006 19.886 19.000 -0.201 0.000 1.279 130 A HN 0.869 nan 8.150 nan 0.000 0.423 131 S N -0.612 114.653 115.700 -0.725 0.000 2.654 131 S HA 0.798 5.268 4.470 0.001 0.000 0.283 131 S C -1.438 172.469 174.600 -1.154 0.000 1.180 131 S CA -0.047 57.636 58.200 -0.862 0.000 1.021 131 S CB 0.613 63.097 63.200 -1.193 0.000 1.018 131 S HN 0.456 nan 8.310 nan 0.000 0.532 132 Y N 0.184 120.228 120.300 -0.427 0.000 2.457 132 Y HA 0.432 4.983 4.550 0.001 0.000 0.343 132 Y C -0.498 175.399 175.900 -0.006 0.000 0.994 132 Y CA -0.906 57.083 58.100 -0.185 0.000 1.031 132 Y CB 1.785 40.103 38.460 -0.236 0.000 1.246 132 Y HN 0.575 nan 8.280 nan 0.000 0.449 133 D N 2.246 122.823 120.400 0.295 0.000 2.419 133 D HA 0.683 5.324 4.640 0.001 0.000 0.234 133 D C -1.127 175.269 176.300 0.160 0.000 1.014 133 D CA -0.419 53.721 54.000 0.233 0.000 0.919 133 D CB 2.130 43.140 40.800 0.350 0.000 1.366 133 D HN 0.318 nan 8.370 nan 0.000 0.490 134 I N 1.712 122.378 120.570 0.160 0.000 2.433 134 I HA 0.288 4.459 4.170 0.001 0.000 0.292 134 I C -1.296 175.010 176.117 0.314 0.000 1.001 134 I CA -0.983 60.454 61.300 0.230 0.000 1.119 134 I CB 1.289 39.397 38.000 0.179 0.000 1.289 134 I HN 0.322 nan 8.210 nan 0.000 0.438 135 Y N 5.495 125.933 120.300 0.231 0.000 2.331 135 Y HA 0.306 4.857 4.550 0.001 0.000 0.338 135 Y C -0.160 175.897 175.900 0.261 0.000 0.992 135 Y CA -0.621 57.618 58.100 0.232 0.000 1.121 135 Y CB 1.068 39.688 38.460 0.267 0.000 1.184 135 Y HN 0.488 nan 8.280 nan 0.000 0.469 136 D N 6.344 126.629 120.400 -0.192 0.000 2.336 136 D HA 0.087 4.727 4.640 0.001 0.000 0.249 136 D C 0.630 176.574 176.300 -0.594 0.000 1.213 136 D CA 0.273 54.075 54.000 -0.329 0.000 0.870 136 D CB 0.976 41.662 40.800 -0.190 0.000 1.076 136 D HN 0.871 nan 8.370 nan 0.000 0.483 137 L N 3.565 124.517 121.223 -0.453 0.000 2.217 137 L HA -0.091 4.250 4.340 0.001 0.000 0.211 137 L C 1.885 178.565 176.870 -0.317 0.000 1.107 137 L CA 0.353 55.012 54.840 -0.301 0.000 0.783 137 L CB -0.203 41.720 42.059 -0.228 0.000 0.919 137 L HN 0.339 nan 8.230 nan 0.000 0.442 138 N N 1.145 119.630 118.700 -0.359 0.000 2.207 138 N HA -0.132 4.609 4.740 0.001 0.000 0.182 138 N C 1.524 176.904 175.510 -0.217 0.000 1.020 138 N CA 1.173 54.067 53.050 -0.260 0.000 0.858 138 N CB -0.095 38.243 38.487 -0.247 0.000 0.991 138 N HN 0.471 nan 8.380 nan 0.000 0.427 139 K N 0.939 121.193 120.400 -0.243 0.000 2.387 139 K HA 0.228 4.549 4.320 0.001 0.000 0.198 139 K C -0.355 176.109 176.600 -0.226 0.000 1.022 139 K CA -0.268 55.905 56.287 -0.189 0.000 1.128 139 K CB 0.282 32.695 32.500 -0.145 0.000 0.853 139 K HN -0.111 nan 8.250 nan 0.000 0.523 140 R N 1.357 121.660 120.500 -0.329 0.000 3.158 140 R HA -0.218 4.123 4.340 0.001 0.000 0.244 140 R C -0.914 175.169 176.300 -0.362 0.000 0.900 140 R CA 0.724 56.616 56.100 -0.346 0.000 0.618 140 R CB -1.693 28.560 30.300 -0.077 0.000 1.061 140 R HN 0.633 nan 8.270 nan 0.000 0.471 141 Q N 0.581 119.983 119.800 -0.663 0.000 2.340 141 Q HA 0.408 4.749 4.340 0.001 0.000 0.276 141 Q C -1.484 174.387 176.000 -0.215 0.000 1.048 141 Q CA -1.020 54.628 55.803 -0.258 0.000 0.832 141 Q CB 1.624 30.283 28.738 -0.132 0.000 1.373 141 Q HN 0.197 nan 8.270 nan 0.000 0.409 142 L N 3.840 125.152 121.223 0.149 0.000 2.331 142 L HA 0.415 4.756 4.340 0.001 0.000 0.278 142 L C -0.772 176.185 176.870 0.144 0.000 1.106 142 L CA 0.308 55.305 54.840 0.262 0.000 0.824 142 L CB 0.815 43.083 42.059 0.348 0.000 1.142 142 L HN 0.628 nan 8.230 nan 0.000 0.443 143 I N 3.967 124.622 120.570 0.142 0.000 2.441 143 I HA 0.130 4.300 4.170 0.001 0.000 0.287 143 I C 1.051 177.216 176.117 0.079 0.000 1.049 143 I CA 0.229 61.585 61.300 0.093 0.000 1.381 143 I CB 1.079 39.131 38.000 0.086 0.000 1.409 143 I HN 0.824 nan 8.210 nan 0.000 0.523 144 T N 0.424 115.009 114.554 0.052 0.000 2.971 144 T HA 0.243 4.594 4.350 0.001 0.000 0.252 144 T C 0.474 175.179 174.700 0.008 0.000 1.022 144 T CA -0.280 61.843 62.100 0.039 0.000 0.980 144 T CB 0.038 68.931 68.868 0.041 0.000 1.044 144 T HN 0.396 nan 8.240 nan 0.000 0.501 145 E N 2.017 122.217 120.200 -0.001 0.000 2.277 145 E HA 0.435 4.785 4.350 0.001 0.000 0.274 145 E C -0.124 176.449 176.600 -0.045 0.000 1.022 145 E CA -0.439 55.948 56.400 -0.022 0.000 0.853 145 E CB 0.462 30.152 29.700 -0.017 0.000 1.086 145 E HN 0.096 nan 8.360 nan 0.000 0.397 146 E N 1.053 121.213 120.200 -0.067 0.000 2.389 146 E HA -0.261 4.090 4.350 0.001 0.000 0.243 146 E C -0.692 175.829 176.600 -0.131 0.000 1.154 146 E CA 0.553 56.894 56.400 -0.098 0.000 0.723 146 E CB -1.355 28.296 29.700 -0.082 0.000 1.261 146 E HN 0.483 nan 8.360 nan 0.000 0.390 147 R N -0.223 120.195 120.500 -0.135 0.000 2.738 147 R HA 0.322 4.662 4.340 0.001 0.000 0.268 147 R C 1.201 177.325 176.300 -0.293 0.000 1.062 147 R CA -0.289 55.714 56.100 -0.161 0.000 1.158 147 R CB 0.464 30.702 30.300 -0.103 0.000 1.046 147 R HN 0.124 nan 8.270 nan 0.000 0.493 148 I N 4.126 124.482 120.570 -0.356 0.000 2.618 148 I HA 0.059 4.230 4.170 0.001 0.000 0.284 148 I C -1.537 174.270 176.117 -0.517 0.000 1.146 148 I CA -1.612 59.313 61.300 -0.626 0.000 1.425 148 I CB 0.469 38.095 38.000 -0.623 0.000 1.383 148 I HN 0.361 nan 8.210 nan 0.000 0.562 149 P HA 0.083 nan 4.420 nan 0.000 0.272 149 P C -0.850 176.262 177.300 -0.312 0.000 1.240 149 P CA -0.418 62.320 63.100 -0.603 0.000 0.791 149 P CB 0.456 31.409 31.700 -1.246 0.000 0.978 150 N N 1.684 120.293 118.700 -0.151 0.000 2.415 150 N HA -0.005 4.735 4.740 0.001 0.000 0.248 150 N C 0.645 176.246 175.510 0.153 0.000 1.271 150 N CA 0.234 53.262 53.050 -0.037 0.000 0.913 150 N CB -0.389 38.086 38.487 -0.020 0.000 1.129 150 N HN 0.432 nan 8.380 nan 0.000 0.444 151 N N -1.107 117.649 118.700 0.094 0.000 2.747 151 N HA -0.158 4.583 4.740 0.001 0.000 0.249 151 N C -0.786 174.882 175.510 0.263 0.000 1.107 151 N CA 0.730 53.865 53.050 0.141 0.000 0.707 151 N CB -1.721 36.838 38.487 0.120 0.000 1.054 151 N HN 0.477 nan 8.380 nan 0.000 0.555 152 T N 0.757 115.474 114.554 0.272 0.000 2.901 152 T HA 0.131 4.481 4.350 0.001 0.000 0.301 152 T C 1.681 176.523 174.700 0.237 0.000 1.012 152 T CA 0.110 62.391 62.100 0.301 0.000 1.135 152 T CB 1.282 70.249 68.868 0.164 0.000 0.936 152 T HN 0.175 nan 8.240 nan 0.000 0.539 153 Q N 1.537 121.463 119.800 0.211 0.000 2.339 153 Q HA 0.185 4.525 4.340 0.001 0.000 0.205 153 Q C 0.013 176.144 176.000 0.219 0.000 0.925 153 Q CA 0.238 56.166 55.803 0.209 0.000 0.898 153 Q CB 0.903 29.726 28.738 0.141 0.000 1.013 153 Q HN 0.702 nan 8.270 nan 0.000 0.504 154 W N 0.027 121.269 121.300 -0.096 0.000 3.645 154 W HA 0.430 5.091 4.660 0.001 0.000 0.285 154 W C -2.348 174.072 176.519 -0.165 0.000 1.266 154 W CA -0.590 56.654 57.345 -0.168 0.000 1.212 154 W CB 1.074 30.377 29.460 -0.261 0.000 1.306 154 W HN -0.363 nan 8.180 nan 0.000 0.552 155 V N 3.376 122.647 119.914 -1.072 0.000 2.925 155 V HA 0.748 4.869 4.120 0.001 0.000 0.311 155 V C -0.447 174.991 176.094 -1.093 0.000 1.104 155 V CA -0.655 61.097 62.300 -0.913 0.000 0.954 155 V CB 1.871 33.059 31.823 -1.057 0.000 1.022 155 V HN 0.488 nan 8.190 nan 0.000 0.427 156 T N 2.335 116.560 114.554 -0.548 0.000 3.105 156 T HA 0.476 4.827 4.350 0.001 0.000 0.321 156 T C -1.365 173.340 174.700 0.008 0.000 1.135 156 T CA -0.354 61.610 62.100 -0.227 0.000 1.053 156 T CB 0.704 69.653 68.868 0.135 0.000 1.133 156 T HN 0.521 nan 8.240 nan 0.000 0.463 157 W N 3.283 124.602 121.300 0.031 0.000 2.112 157 W HA 0.400 5.060 4.660 0.001 0.000 0.349 157 W C 1.365 177.733 176.519 -0.252 0.000 1.289 157 W CA -0.527 56.793 57.345 -0.042 0.000 1.256 157 W CB 0.500 29.935 29.460 -0.043 0.000 1.148 157 W HN 0.794 nan 8.180 nan 0.000 0.590 158 S N 1.222 116.656 115.700 -0.443 0.000 2.589 158 S HA 0.125 4.596 4.470 0.001 0.000 0.265 158 S C -1.833 172.496 174.600 -0.452 0.000 1.342 158 S CA -0.932 56.502 58.200 -1.278 0.000 1.005 158 S CB 0.721 63.082 63.200 -1.399 0.000 0.909 158 S HN 0.295 nan 8.310 nan 0.000 0.555 159 P HA 0.119 nan 4.420 nan 0.000 0.231 159 P C 0.060 177.309 177.300 -0.086 0.000 1.168 159 P CA 0.373 63.420 63.100 -0.088 0.000 0.779 159 P CB -0.162 31.535 31.700 -0.005 0.000 0.844 160 V N -5.957 113.862 119.914 -0.158 0.000 2.962 160 V HA 0.903 5.024 4.120 0.001 0.000 0.313 160 V C 0.443 176.423 176.094 -0.189 0.000 1.099 160 V CA -0.294 61.930 62.300 -0.127 0.000 0.971 160 V CB 1.061 32.827 31.823 -0.095 0.000 1.028 160 V HN 0.387 nan 8.190 nan 0.000 0.430 161 G N 2.531 111.232 108.800 -0.165 0.000 2.509 161 G HA2 -0.149 3.812 3.960 0.001 0.000 0.259 161 G HA3 -0.149 3.812 3.960 0.001 0.000 0.259 161 G C 0.186 174.970 174.900 -0.193 0.000 1.169 161 G CA 0.813 45.767 45.100 -0.243 0.000 0.953 161 G HN 2.585 nan 8.290 nan 0.000 0.563 162 H N -0.756 118.273 119.070 -0.067 0.000 3.411 162 H HA 0.371 4.928 4.556 0.001 0.000 0.232 162 H C 0.138 175.575 175.328 0.182 0.000 1.322 162 H CA -0.136 55.908 56.048 -0.006 0.000 1.077 162 H CB -0.398 29.350 29.762 -0.024 0.000 2.741 162 H HN 0.544 nan 8.280 nan 0.000 0.596 163 K N 1.621 122.083 120.400 0.103 0.000 2.168 163 K HA 0.543 4.863 4.320 0.001 0.000 0.258 163 K C -0.420 176.315 176.600 0.225 0.000 1.010 163 K CA -0.414 55.943 56.287 0.116 0.000 0.929 163 K CB 1.638 34.089 32.500 -0.082 0.000 0.998 163 K HN 0.107 nan 8.250 nan 0.000 0.479 164 L N 0.701 122.067 121.223 0.238 0.000 2.388 164 L HA 0.606 4.947 4.340 0.001 0.000 0.264 164 L C -1.040 176.030 176.870 0.333 0.000 0.998 164 L CA -0.864 54.069 54.840 0.156 0.000 0.817 164 L CB 2.228 44.203 42.059 -0.141 0.000 1.338 164 L HN 0.716 nan 8.230 nan 0.000 0.414 165 A N 2.022 125.023 122.820 0.302 0.000 2.356 165 A HA 0.842 5.162 4.320 0.001 0.000 0.310 165 A C -1.646 175.955 177.584 0.028 0.000 1.075 165 A CA -0.393 51.703 52.037 0.098 0.000 0.746 165 A CB 1.191 20.154 19.000 -0.063 0.000 1.221 165 A HN 0.653 nan 8.150 nan 0.000 0.443 166 Y N -0.532 119.716 120.300 -0.087 0.000 2.588 166 Y HA 0.768 5.319 4.550 0.001 0.000 0.343 166 Y C -1.271 174.637 175.900 0.014 0.000 1.065 166 Y CA -1.563 56.465 58.100 -0.120 0.000 1.038 166 Y CB 1.231 39.553 38.460 -0.229 0.000 1.297 166 Y HN 0.390 nan 8.280 nan 0.000 0.467 167 V N 2.547 122.579 119.914 0.197 0.000 2.448 167 V HA 0.380 4.501 4.120 0.001 0.000 0.295 167 V C -1.456 174.838 176.094 0.334 0.000 1.025 167 V CA -0.627 61.767 62.300 0.157 0.000 0.859 167 V CB 1.294 33.127 31.823 0.018 0.000 0.988 167 V HN 0.886 nan 8.190 nan 0.000 0.431 168 W N 5.102 126.488 121.300 0.143 0.000 3.042 168 W HA 0.467 5.128 4.660 0.001 0.000 0.337 168 W C 0.246 176.813 176.519 0.080 0.000 1.086 168 W CA -0.688 56.719 57.345 0.103 0.000 1.236 168 W CB 1.294 30.800 29.460 0.077 0.000 1.381 168 W HN 0.775 nan 8.180 nan 0.000 0.472 169 N N 5.453 123.843 118.700 -0.517 0.000 2.721 169 N HA -0.351 4.390 4.740 0.001 0.000 0.249 169 N C 0.147 175.511 175.510 -0.243 0.000 1.072 169 N CA 1.027 53.761 53.050 -0.528 0.000 0.710 169 N CB -1.120 36.832 38.487 -0.891 0.000 0.993 169 N HN 0.816 nan 8.380 nan 0.000 0.547 170 N N -1.997 116.615 118.700 -0.147 0.000 2.828 170 N HA -0.169 4.572 4.740 0.001 0.000 0.248 170 N C -1.299 174.142 175.510 -0.115 0.000 1.044 170 N CA 1.145 54.124 53.050 -0.118 0.000 0.851 170 N CB -0.336 38.043 38.487 -0.181 0.000 1.136 170 N HN 0.442 nan 8.380 nan 0.000 0.572 171 D N 0.433 120.775 120.400 -0.098 0.000 2.433 171 D HA 0.498 5.138 4.640 0.001 0.000 0.236 171 D C 0.116 176.271 176.300 -0.242 0.000 1.026 171 D CA -0.380 53.489 54.000 -0.219 0.000 0.884 171 D CB 1.669 42.281 40.800 -0.312 0.000 1.384 171 D HN 0.017 nan 8.370 nan 0.000 0.477 172 I N 1.708 121.982 120.570 -0.493 0.000 2.396 172 I HA 0.226 4.397 4.170 0.001 0.000 0.292 172 I C -0.675 174.988 176.117 -0.756 0.000 0.999 172 I CA -0.395 60.593 61.300 -0.521 0.000 1.310 172 I CB 0.526 38.132 38.000 -0.657 0.000 1.404 172 I HN 0.155 nan 8.210 nan 0.000 0.496 173 Y N 4.181 124.105 120.300 -0.627 0.000 2.536 173 Y HA 0.641 5.192 4.550 0.001 0.000 0.347 173 Y C -0.327 175.241 175.900 -0.553 0.000 1.000 173 Y CA -0.976 56.712 58.100 -0.687 0.000 1.051 173 Y CB 1.983 39.757 38.460 -1.143 0.000 1.259 173 Y HN 0.101 nan 8.280 nan 0.000 0.468 174 V N 2.571 122.429 119.914 -0.094 0.000 2.588 174 V HA 0.451 4.572 4.120 0.001 0.000 0.304 174 V C -0.868 175.355 176.094 0.214 0.000 1.042 174 V CA -1.373 60.965 62.300 0.065 0.000 0.877 174 V CB 1.952 33.827 31.823 0.086 0.000 0.996 174 V HN 0.617 nan 8.190 nan 0.000 0.425 175 K N 4.278 124.810 120.400 0.220 0.000 2.307 175 K HA 0.519 4.840 4.320 0.001 0.000 0.263 175 K C 0.391 177.126 176.600 0.224 0.000 0.973 175 K CA -0.708 55.705 56.287 0.211 0.000 0.846 175 K CB 1.763 34.343 32.500 0.134 0.000 1.100 175 K HN 0.442 nan 8.250 nan 0.000 0.438 176 I N 1.366 122.087 120.570 0.251 0.000 2.500 176 I HA -0.040 4.131 4.170 0.001 0.000 0.252 176 I C 0.350 176.581 176.117 0.190 0.000 1.142 176 I CA 1.339 62.762 61.300 0.206 0.000 1.451 176 I CB -0.277 37.850 38.000 0.212 0.000 1.093 176 I HN 0.572 nan 8.210 nan 0.000 0.430 177 E N -0.030 120.258 120.200 0.148 0.000 2.317 177 E HA 0.287 4.637 4.350 0.001 0.000 0.270 177 E C -1.978 174.601 176.600 -0.035 0.000 0.885 177 E CA -1.883 54.566 56.400 0.081 0.000 0.760 177 E CB 1.846 31.596 29.700 0.084 0.000 1.227 177 E HN -0.169 nan 8.360 nan 0.000 0.434 178 P HA -0.147 nan 4.420 nan 0.000 0.218 178 P C 0.809 178.041 177.300 -0.113 0.000 1.148 178 P CA 1.257 64.221 63.100 -0.226 0.000 0.822 178 P CB 0.264 31.653 31.700 -0.519 0.000 0.784 179 N N -0.971 117.686 118.700 -0.072 0.000 2.270 179 N HA 0.012 4.753 4.740 0.001 0.000 0.198 179 N C 0.046 175.541 175.510 -0.025 0.000 1.117 179 N CA 0.208 53.241 53.050 -0.029 0.000 0.845 179 N CB -0.373 38.117 38.487 0.004 0.000 0.980 179 N HN 0.167 nan 8.380 nan 0.000 0.486 180 L N 0.466 121.675 121.223 -0.023 0.000 2.352 180 L HA 0.541 4.882 4.340 0.001 0.000 0.269 180 L C -2.245 174.587 176.870 -0.062 0.000 1.034 180 L CA -2.368 52.456 54.840 -0.027 0.000 0.806 180 L CB 1.425 43.489 42.059 0.007 0.000 1.244 180 L HN -0.188 nan 8.230 nan 0.000 0.447 181 P HA 0.046 nan 4.420 nan 0.000 0.268 181 P C -0.833 176.336 177.300 -0.218 0.000 1.208 181 P CA -0.091 62.917 63.100 -0.153 0.000 0.777 181 P CB 0.544 32.138 31.700 -0.177 0.000 0.875 182 S N 1.051 116.666 115.700 -0.142 0.000 2.580 182 S HA 0.262 4.733 4.470 0.001 0.000 0.274 182 S C -0.494 174.006 174.600 -0.167 0.000 1.329 182 S CA -0.048 58.113 58.200 -0.065 0.000 1.036 182 S CB -0.172 63.068 63.200 0.066 0.000 0.919 182 S HN 0.230 nan 8.310 nan 0.000 0.515 183 Y N 1.418 121.744 120.300 0.042 0.000 2.341 183 Y HA 0.339 4.890 4.550 0.001 0.000 0.340 183 Y C 0.929 176.765 175.900 -0.107 0.000 0.997 183 Y CA -0.526 57.577 58.100 0.005 0.000 1.149 183 Y CB 0.593 39.054 38.460 0.002 0.000 1.171 183 Y HN 0.407 nan 8.280 nan 0.000 0.494 184 R N 3.952 124.413 120.500 -0.064 0.000 2.267 184 R HA 0.183 4.524 4.340 0.001 0.000 0.319 184 R C 0.232 176.290 176.300 -0.403 0.000 1.067 184 R CA 0.064 55.818 56.100 -0.576 0.000 0.936 184 R CB 0.526 30.275 30.300 -0.918 0.000 1.006 184 R HN 0.776 nan 8.270 nan 0.000 0.452 185 I N 1.669 121.912 120.570 -0.544 0.000 2.628 185 I HA -0.040 4.131 4.170 0.001 0.000 0.255 185 I C 1.253 177.179 176.117 -0.318 0.000 1.119 185 I CA 1.079 62.178 61.300 -0.335 0.000 1.448 185 I CB -0.504 37.252 38.000 -0.407 0.000 1.133 185 I HN 0.533 nan 8.210 nan 0.000 0.438 186 T N -3.733 110.499 114.554 -0.537 0.000 2.887 186 T HA 0.399 4.749 4.350 0.001 0.000 0.288 186 T C -0.669 173.752 174.700 -0.466 0.000 1.021 186 T CA -0.506 61.383 62.100 -0.352 0.000 1.000 186 T CB 1.913 70.556 68.868 -0.375 0.000 1.034 186 T HN 0.170 nan 8.240 nan 0.000 0.467 187 W N 0.547 121.736 121.300 -0.186 0.000 2.702 187 W HA 0.251 4.912 4.660 0.001 0.000 0.369 187 W C 1.747 178.212 176.519 -0.090 0.000 0.987 187 W CA -0.184 57.087 57.345 -0.123 0.000 1.702 187 W CB 0.305 29.712 29.460 -0.089 0.000 1.138 187 W HN 0.931 nan 8.180 nan 0.000 0.552 188 T N -3.074 111.518 114.554 0.064 0.000 3.040 188 T HA 0.302 4.653 4.350 0.001 0.000 0.250 188 T C 1.219 175.916 174.700 -0.005 0.000 1.058 188 T CA 0.134 62.257 62.100 0.039 0.000 0.988 188 T CB -0.042 68.846 68.868 0.032 0.000 0.993 188 T HN -0.011 nan 8.240 nan 0.000 0.519 189 G N 1.278 110.047 108.800 -0.052 0.000 2.414 189 G HA2 0.382 4.343 3.960 0.001 0.000 0.236 189 G HA3 0.382 4.343 3.960 0.001 0.000 0.236 189 G C -0.632 174.211 174.900 -0.095 0.000 1.293 189 G CA -0.388 44.659 45.100 -0.088 0.000 0.869 189 G HN 0.546 nan 8.290 nan 0.000 0.556 190 K N 1.622 121.943 120.400 -0.132 0.000 2.616 190 K HA 0.145 4.466 4.320 0.001 0.000 0.255 190 K C -0.232 176.248 176.600 -0.198 0.000 0.995 190 K CA -0.621 55.590 56.287 -0.127 0.000 0.860 190 K CB 1.421 33.880 32.500 -0.067 0.000 1.264 190 K HN 0.632 nan 8.250 nan 0.000 0.451 191 E N 3.203 123.291 120.200 -0.186 0.000 2.765 191 E HA -0.161 4.189 4.350 0.001 0.000 0.256 191 E C -0.534 175.969 176.600 -0.162 0.000 0.935 191 E CA 1.116 57.400 56.400 -0.193 0.000 0.954 191 E CB 0.268 29.892 29.700 -0.126 0.000 0.908 191 E HN 0.664 nan 8.360 nan 0.000 0.500 192 D N 2.447 122.727 120.400 -0.201 0.000 3.059 192 D HA -0.240 4.401 4.640 0.001 0.000 0.213 192 D C 0.511 176.837 176.300 0.043 0.000 1.144 192 D CA 1.316 55.309 54.000 -0.011 0.000 0.975 192 D CB -0.446 40.398 40.800 0.074 0.000 1.125 192 D HN 0.415 nan 8.370 nan 0.000 0.412 193 I N -1.120 119.392 120.570 -0.096 0.000 3.669 193 I HA 0.094 4.265 4.170 0.001 0.000 0.255 193 I C 0.679 176.865 176.117 0.114 0.000 1.144 193 I CA 0.344 61.680 61.300 0.059 0.000 1.447 193 I CB 0.125 38.141 38.000 0.027 0.000 1.622 193 I HN -0.151 nan 8.210 nan 0.000 0.435 194 I N 1.861 122.419 120.570 -0.020 0.000 2.362 194 I HA 0.262 4.432 4.170 0.001 0.000 0.289 194 I C -1.219 174.891 176.117 -0.012 0.000 0.994 194 I CA -0.607 60.741 61.300 0.080 0.000 1.158 194 I CB 0.721 38.753 38.000 0.052 0.000 1.315 194 I HN 0.057 nan 8.210 nan 0.000 0.451 195 Y N 4.760 125.145 120.300 0.142 0.000 2.345 195 Y HA 0.382 4.932 4.550 0.001 0.000 0.331 195 Y C 0.410 176.367 175.900 0.095 0.000 0.959 195 Y CA -0.724 57.462 58.100 0.144 0.000 1.204 195 Y CB 0.947 39.572 38.460 0.275 0.000 1.135 195 Y HN 0.411 nan 8.280 nan 0.000 0.477 196 N N 2.373 121.134 118.700 0.102 0.000 2.437 196 N HA 0.329 5.070 4.740 0.001 0.000 0.259 196 N C 0.886 176.339 175.510 -0.095 0.000 0.983 196 N CA 0.523 53.566 53.050 -0.012 0.000 0.937 196 N CB 1.774 40.163 38.487 -0.163 0.000 1.122 196 N HN 0.991 nan 8.380 nan 0.000 0.499 197 G N 1.619 110.378 108.800 -0.070 0.000 2.179 197 G HA2 -0.253 3.708 3.960 0.001 0.000 0.260 197 G HA3 -0.253 3.708 3.960 0.001 0.000 0.260 197 G C 0.122 174.872 174.900 -0.250 0.000 0.977 197 G CA 0.677 45.664 45.100 -0.189 0.000 0.641 197 G HN 0.655 nan 8.290 nan 0.000 0.533 198 I N -1.876 118.613 120.570 -0.134 0.000 2.934 198 I HA 0.827 4.998 4.170 0.001 0.000 0.306 198 I C 0.326 176.478 176.117 0.058 0.000 1.110 198 I CA -0.705 60.433 61.300 -0.270 0.000 1.019 198 I CB 1.995 39.659 38.000 -0.559 0.000 1.227 198 I HN 0.160 nan 8.210 nan 0.000 0.434 199 T N -0.552 113.980 114.554 -0.037 0.000 2.899 199 T HA 0.374 4.725 4.350 0.001 0.000 0.284 199 T C -0.196 174.337 174.700 -0.278 0.000 1.004 199 T CA -0.669 61.285 62.100 -0.243 0.000 1.043 199 T CB 1.282 70.073 68.868 -0.129 0.000 1.013 199 T HN 0.772 nan 8.240 nan 0.000 0.518 200 D N 0.257 120.218 120.400 -0.731 0.000 2.447 200 D HA 0.018 4.659 4.640 0.001 0.000 0.265 200 D C 0.979 177.215 176.300 -0.107 0.000 1.250 200 D CA -1.086 52.537 54.000 -0.628 0.000 1.046 200 D CB 0.130 40.454 40.800 -0.794 0.000 1.095 200 D HN 0.714 nan 8.370 nan 0.000 0.555 201 W N 0.220 121.475 121.300 -0.075 0.000 2.317 201 W HA -0.222 4.439 4.660 0.001 0.000 0.318 201 W C 2.104 178.534 176.519 -0.149 0.000 1.227 201 W CA 2.389 59.681 57.345 -0.089 0.000 1.269 201 W CB -0.401 28.946 29.460 -0.188 0.000 1.155 201 W HN 0.196 nan 8.180 nan 0.000 0.484 202 V N -0.371 119.605 119.914 0.104 0.000 2.591 202 V HA -0.237 3.883 4.120 0.001 0.000 0.249 202 V C 1.792 177.739 176.094 -0.246 0.000 1.053 202 V CA 1.774 64.043 62.300 -0.052 0.000 1.068 202 V CB -0.673 31.118 31.823 -0.053 0.000 0.689 202 V HN 0.275 nan 8.190 nan 0.000 0.462 203 Y N 0.779 120.918 120.300 -0.269 0.000 2.263 203 Y HA -0.155 4.396 4.550 0.001 0.000 0.292 203 Y C 2.557 178.370 175.900 -0.146 0.000 1.130 203 Y CA 2.072 60.026 58.100 -0.243 0.000 1.179 203 Y CB -0.072 38.142 38.460 -0.410 0.000 0.998 203 Y HN 0.397 nan 8.280 nan 0.000 0.532 204 E N 0.425 120.600 120.200 -0.040 0.000 2.031 204 E HA -0.305 4.046 4.350 0.001 0.000 0.193 204 E C 2.016 178.570 176.600 -0.077 0.000 0.994 204 E CA 1.684 58.076 56.400 -0.014 0.000 0.800 204 E CB -0.025 29.659 29.700 -0.027 0.000 0.752 204 E HN 0.413 nan 8.360 nan 0.000 0.447 205 E N 0.105 120.076 120.200 -0.382 0.000 2.076 205 E HA -0.133 4.218 4.350 0.001 0.000 0.190 205 E C 1.578 178.065 176.600 -0.189 0.000 0.979 205 E CA 1.417 57.580 56.400 -0.395 0.000 0.807 205 E CB 0.187 29.316 29.700 -0.953 0.000 0.761 205 E HN 0.216 nan 8.360 nan 0.000 0.454 206 E N -0.818 119.249 120.200 -0.221 0.000 2.473 206 E HA 0.122 4.472 4.350 0.001 0.000 0.204 206 E C 1.459 177.928 176.600 -0.219 0.000 0.994 206 E CA 0.250 56.558 56.400 -0.153 0.000 0.945 206 E CB 1.208 30.813 29.700 -0.158 0.000 0.990 206 E HN 0.188 nan 8.360 nan 0.000 0.493 207 V N -0.658 119.091 119.914 -0.274 0.000 3.001 207 V HA 0.075 4.196 4.120 0.001 0.000 0.228 207 V C 1.272 177.158 176.094 -0.348 0.000 1.204 207 V CA 0.563 62.614 62.300 -0.414 0.000 1.247 207 V CB -0.181 31.259 31.823 -0.637 0.000 1.093 207 V HN 0.014 nan 8.190 nan 0.000 0.504 208 F N 0.688 120.661 119.950 0.038 0.000 2.749 208 F HA 0.302 4.830 4.527 0.001 0.000 0.300 208 F C 1.535 177.316 175.800 -0.032 0.000 1.103 208 F CA 0.215 58.252 58.000 0.061 0.000 1.342 208 F CB -0.197 38.881 39.000 0.129 0.000 1.098 208 F HN 0.067 nan 8.300 nan 0.000 0.586 209 S N 0.669 116.407 115.700 0.064 0.000 3.549 209 S HA 0.007 4.478 4.470 0.001 0.000 0.366 209 S C 0.060 174.319 174.600 -0.568 0.000 1.012 209 S CA 0.448 58.583 58.200 -0.108 0.000 1.141 209 S CB -1.681 61.491 63.200 -0.047 0.000 0.910 209 S HN 0.668 nan 8.310 nan 0.000 0.471 210 A N -0.577 122.078 122.820 -0.275 0.000 2.590 210 A HA 0.652 4.972 4.320 0.001 0.000 0.294 210 A C -0.321 177.230 177.584 -0.056 0.000 1.046 210 A CA -0.492 51.375 52.037 -0.283 0.000 0.684 210 A CB 0.206 19.061 19.000 -0.242 0.000 1.279 210 A HN 0.306 nan 8.150 nan 0.000 0.415 211 Y N 1.803 121.942 120.300 -0.268 0.000 2.365 211 Y HA 0.117 4.667 4.550 0.001 0.000 0.293 211 Y C 1.603 177.195 175.900 -0.514 0.000 1.119 211 Y CA 0.813 58.750 58.100 -0.272 0.000 1.203 211 Y CB -0.037 38.302 38.460 -0.201 0.000 1.026 211 Y HN 0.750 nan 8.280 nan 0.000 0.549 212 S N 0.634 115.788 115.700 -0.910 0.000 2.549 212 S HA 0.478 4.949 4.470 0.001 0.000 0.283 212 S C 0.318 174.394 174.600 -0.873 0.000 1.320 212 S CA -0.137 57.333 58.200 -1.216 0.000 1.058 212 S CB 1.390 63.546 63.200 -1.741 0.000 0.882 212 S HN 0.410 nan 8.310 nan 0.000 0.498 213 A N 3.895 126.222 122.820 -0.821 0.000 2.956 213 A HA 0.565 4.886 4.320 0.001 0.000 0.294 213 A C -0.311 176.596 177.584 -1.129 0.000 0.993 213 A CA -0.644 50.799 52.037 -0.990 0.000 1.032 213 A CB -0.155 18.674 19.000 -0.285 0.000 1.129 213 A HN 0.818 nan 8.150 nan 0.000 0.505 214 L N 0.446 120.914 121.223 -1.258 0.000 2.365 214 L HA 0.592 4.932 4.340 0.001 0.000 0.273 214 L C -1.139 175.237 176.870 -0.824 0.000 1.000 214 L CA -0.554 53.838 54.840 -0.747 0.000 0.819 214 L CB 1.925 43.758 42.059 -0.376 0.000 1.284 214 L HN 0.482 nan 8.230 nan 0.000 0.418 215 W N 2.539 123.860 121.300 0.034 0.000 2.591 215 W HA 0.219 4.880 4.660 0.001 0.000 0.311 215 W C -1.048 175.671 176.519 0.334 0.000 1.003 215 W CA -1.085 56.400 57.345 0.233 0.000 1.332 215 W CB 1.157 30.802 29.460 0.309 0.000 1.272 215 W HN 0.502 nan 8.180 nan 0.000 0.412 216 W N 2.508 124.012 121.300 0.340 0.000 2.181 216 W HA 0.174 4.835 4.660 0.001 0.000 0.335 216 W C 1.408 177.790 176.519 -0.230 0.000 1.310 216 W CA 0.473 57.890 57.345 0.119 0.000 1.226 216 W CB 0.738 30.239 29.460 0.068 0.000 1.155 216 W HN 0.192 nan 8.180 nan 0.000 0.565 217 S N 2.670 118.132 115.700 -0.396 0.000 2.593 217 S HA 0.161 4.632 4.470 0.001 0.000 0.269 217 S C -1.755 172.604 174.600 -0.402 0.000 1.334 217 S CA -1.011 56.458 58.200 -1.219 0.000 1.015 217 S CB 1.159 63.628 63.200 -1.218 0.000 0.912 217 S HN 0.292 nan 8.310 nan 0.000 0.541 218 P HA -0.119 nan 4.420 nan 0.000 0.216 218 P C 0.855 178.117 177.300 -0.063 0.000 1.150 218 P CA 1.395 64.453 63.100 -0.071 0.000 0.843 218 P CB -0.167 31.537 31.700 0.007 0.000 0.787 219 N N -1.909 116.738 118.700 -0.089 0.000 2.230 219 N HA 0.128 4.869 4.740 0.001 0.000 0.202 219 N C 1.102 176.530 175.510 -0.137 0.000 1.119 219 N CA 0.500 53.494 53.050 -0.093 0.000 0.851 219 N CB -0.623 37.824 38.487 -0.068 0.000 0.990 219 N HN 0.158 nan 8.380 nan 0.000 0.497 220 G N -0.936 107.790 108.800 -0.124 0.000 2.176 220 G HA2 -0.325 3.636 3.960 0.001 0.000 0.253 220 G HA3 -0.325 3.636 3.960 0.001 0.000 0.253 220 G C 0.942 175.865 174.900 0.039 0.000 0.979 220 G CA 0.664 45.701 45.100 -0.104 0.000 0.641 220 G HN 0.363 nan 8.290 nan 0.000 0.530 221 T N -0.009 114.485 114.554 -0.099 0.000 2.737 221 T HA 0.194 4.545 4.350 0.001 0.000 0.265 221 T C 0.746 175.290 174.700 -0.259 0.000 1.038 221 T CA 1.371 63.301 62.100 -0.282 0.000 1.144 221 T CB -0.104 68.437 68.868 -0.545 0.000 0.866 221 T HN 0.291 nan 8.240 nan 0.000 0.434 222 F N 0.264 120.248 119.950 0.058 0.000 2.450 222 F HA 0.619 5.147 4.527 0.001 0.000 0.332 222 F C -0.293 175.578 175.800 0.118 0.000 1.093 222 F CA -1.604 56.462 58.000 0.110 0.000 1.003 222 F CB 1.264 40.383 39.000 0.199 0.000 1.151 222 F HN -0.108 nan 8.300 nan 0.000 0.474 223 L N 3.108 124.473 121.223 0.237 0.000 2.316 223 L HA 0.805 5.146 4.340 0.001 0.000 0.280 223 L C -0.468 176.488 176.870 0.145 0.000 1.006 223 L CA -0.431 54.384 54.840 -0.042 0.000 0.836 223 L CB 0.659 42.393 42.059 -0.541 0.000 1.221 223 L HN 0.679 nan 8.230 nan 0.000 0.418 224 A N 4.726 127.703 122.820 0.262 0.000 2.302 224 A HA 0.735 5.056 4.320 0.001 0.000 0.285 224 A C -1.298 176.354 177.584 0.113 0.000 1.105 224 A CA -0.160 51.910 52.037 0.056 0.000 0.816 224 A CB 0.473 19.547 19.000 0.123 0.000 1.067 224 A HN 0.903 nan 8.150 nan 0.000 0.489 225 Y N -1.977 118.129 120.300 -0.323 0.000 2.592 225 Y HA 0.716 5.267 4.550 0.001 0.000 0.334 225 Y C -0.383 175.378 175.900 -0.231 0.000 1.136 225 Y CA -0.872 57.116 58.100 -0.187 0.000 1.042 225 Y CB 0.790 39.115 38.460 -0.225 0.000 1.325 225 Y HN 0.924 nan 8.280 nan 0.000 0.457 226 A N 2.567 125.444 122.820 0.096 0.000 2.306 226 A HA 0.665 4.986 4.320 0.001 0.000 0.330 226 A C -1.066 176.403 177.584 -0.192 0.000 1.146 226 A CA -0.820 51.152 52.037 -0.108 0.000 0.827 226 A CB 1.612 20.505 19.000 -0.177 0.000 1.178 226 A HN 0.819 nan 8.150 nan 0.000 0.490 227 Q N 1.120 120.747 119.800 -0.288 0.000 2.330 227 Q HA 0.597 4.938 4.340 0.001 0.000 0.269 227 Q C -2.026 173.707 176.000 -0.444 0.000 1.022 227 Q CA -0.384 55.320 55.803 -0.165 0.000 0.796 227 Q CB 1.026 29.880 28.738 0.192 0.000 1.271 227 Q HN 0.592 nan 8.270 nan 0.000 0.450 228 F N 2.347 122.384 119.950 0.145 0.000 2.443 228 F HA 0.428 4.955 4.527 0.001 0.000 0.335 228 F C 0.419 176.362 175.800 0.239 0.000 1.104 228 F CA -0.920 57.147 58.000 0.111 0.000 1.013 228 F CB 1.354 40.326 39.000 -0.047 0.000 1.136 228 F HN 0.438 nan 8.300 nan 0.000 0.470 229 N N 1.722 120.641 118.700 0.365 0.000 2.483 229 N HA 0.231 4.971 4.740 0.001 0.000 0.267 229 N C -1.070 174.611 175.510 0.286 0.000 0.998 229 N CA -0.367 52.860 53.050 0.295 0.000 0.918 229 N CB 1.171 39.778 38.487 0.200 0.000 1.215 229 N HN 0.564 nan 8.380 nan 0.000 0.500 230 D N 1.509 122.097 120.400 0.313 0.000 2.501 230 D HA 0.163 4.804 4.640 0.001 0.000 0.226 230 D C 1.132 177.549 176.300 0.196 0.000 1.198 230 D CA 0.079 54.243 54.000 0.274 0.000 0.830 230 D CB 0.611 41.633 40.800 0.369 0.000 1.014 230 D HN 0.478 nan 8.370 nan 0.000 0.496 231 T N 0.363 115.014 114.554 0.160 0.000 2.620 231 T HA -0.222 4.128 4.350 0.001 0.000 0.267 231 T C 1.243 176.001 174.700 0.097 0.000 1.044 231 T CA 1.404 63.572 62.100 0.114 0.000 1.161 231 T CB -0.051 68.874 68.868 0.094 0.000 0.862 231 T HN 0.307 nan 8.240 nan 0.000 0.438 232 E N 0.302 120.559 120.200 0.095 0.000 2.499 232 E HA 0.198 4.549 4.350 0.001 0.000 0.199 232 E C -0.576 176.073 176.600 0.082 0.000 1.016 232 E CA -0.253 56.193 56.400 0.076 0.000 0.933 232 E CB 0.656 30.393 29.700 0.062 0.000 1.050 232 E HN 0.197 nan 8.360 nan 0.000 0.462 233 V N 3.621 123.598 119.914 0.105 0.000 2.508 233 V HA 0.115 4.236 4.120 0.001 0.000 0.281 233 V C -1.961 174.192 176.094 0.097 0.000 1.041 233 V CA -1.544 60.821 62.300 0.108 0.000 1.016 233 V CB 0.327 32.232 31.823 0.138 0.000 0.984 233 V HN 0.064 nan 8.190 nan 0.000 0.478 234 P HA 0.292 nan 4.420 nan 0.000 0.272 234 P C -0.750 176.592 177.300 0.070 0.000 1.230 234 P CA -0.353 62.787 63.100 0.066 0.000 0.788 234 P CB 0.556 32.291 31.700 0.057 0.000 0.949 235 L N 1.723 122.966 121.223 0.034 0.000 2.295 235 L HA 0.419 4.760 4.340 0.001 0.000 0.285 235 L C 0.429 177.263 176.870 -0.061 0.000 1.035 235 L CA -1.011 53.833 54.840 0.006 0.000 0.806 235 L CB 0.990 43.044 42.059 -0.008 0.000 1.214 235 L HN 0.293 nan 8.230 nan 0.000 0.426 236 I N 2.819 123.308 120.570 -0.135 0.000 2.474 236 I HA 0.174 4.345 4.170 0.001 0.000 0.287 236 I C -0.221 175.762 176.117 -0.223 0.000 1.048 236 I CA 0.351 61.479 61.300 -0.286 0.000 1.383 236 I CB 0.664 38.253 38.000 -0.686 0.000 1.412 236 I HN 0.565 nan 8.210 nan 0.000 0.531 237 E N 7.533 127.618 120.200 -0.192 0.000 2.210 237 E HA 0.501 4.851 4.350 0.001 0.000 0.266 237 E C -1.735 174.802 176.600 -0.104 0.000 0.883 237 E CA -0.601 55.686 56.400 -0.188 0.000 0.761 237 E CB 1.967 31.584 29.700 -0.140 0.000 1.156 237 E HN 0.576 nan 8.360 nan 0.000 0.412 238 Y N -1.686 118.524 120.300 -0.150 0.000 2.609 238 Y HA 0.550 5.101 4.550 0.001 0.000 0.336 238 Y C -0.757 175.074 175.900 -0.114 0.000 1.129 238 Y CA -1.242 56.776 58.100 -0.135 0.000 1.040 238 Y CB 0.922 39.303 38.460 -0.131 0.000 1.310 238 Y HN 0.214 nan 8.280 nan 0.000 0.460 239 S N 2.016 117.717 115.700 0.001 0.000 2.584 239 S HA 0.509 4.979 4.470 0.001 0.000 0.273 239 S C -1.419 173.050 174.600 -0.219 0.000 1.311 239 S CA -0.386 57.675 58.200 -0.232 0.000 1.034 239 S CB 0.514 63.444 63.200 -0.449 0.000 0.939 239 S HN 0.547 nan 8.310 nan 0.000 0.513 240 F N 1.900 121.574 119.950 -0.460 0.000 2.518 240 F HA 0.439 4.967 4.527 0.001 0.000 0.323 240 F C -0.337 175.213 175.800 -0.417 0.000 1.129 240 F CA -0.787 57.021 58.000 -0.321 0.000 0.920 240 F CB 0.938 39.894 39.000 -0.073 0.000 1.160 240 F HN 0.661 nan 8.300 nan 0.000 0.440 241 Y N 2.644 122.742 120.300 -0.337 0.000 2.389 241 Y HA 0.171 4.722 4.550 0.001 0.000 0.292 241 Y C 1.640 177.477 175.900 -0.104 0.000 1.117 241 Y CA 1.093 59.091 58.100 -0.171 0.000 1.195 241 Y CB -0.322 38.027 38.460 -0.186 0.000 1.076 241 Y HN 0.741 nan 8.280 nan 0.000 0.548 242 S N -0.410 115.217 115.700 -0.121 0.000 3.683 242 S HA -0.209 4.261 4.470 0.001 0.000 0.636 242 S C -0.767 173.879 174.600 0.077 0.000 2.235 242 S CA 0.081 58.345 58.200 0.106 0.000 2.445 242 S CB -1.291 62.063 63.200 0.257 0.000 0.330 242 S HN 0.415 nan 8.310 nan 0.000 1.763 243 D N 1.695 122.159 120.400 0.106 0.000 2.400 243 D HA 0.195 4.835 4.640 0.001 0.000 0.238 243 D C 1.389 177.723 176.300 0.058 0.000 1.157 243 D CA 0.605 54.649 54.000 0.073 0.000 0.889 243 D CB 0.329 41.174 40.800 0.074 0.000 1.199 243 D HN 0.638 nan 8.370 nan 0.000 0.436 244 E N 0.656 120.878 120.200 0.037 0.000 2.171 244 E HA -0.249 4.102 4.350 0.001 0.000 0.197 244 E C 1.374 177.989 176.600 0.024 0.000 0.997 244 E CA 1.492 57.905 56.400 0.022 0.000 0.810 244 E CB 0.098 29.804 29.700 0.010 0.000 0.738 244 E HN 0.411 nan 8.360 nan 0.000 0.467 245 S N 0.247 115.966 115.700 0.033 0.000 2.442 245 S HA -0.148 4.323 4.470 0.001 0.000 0.236 245 S C 0.938 175.562 174.600 0.041 0.000 1.007 245 S CA 0.199 58.419 58.200 0.032 0.000 0.965 245 S CB -0.274 62.948 63.200 0.037 0.000 0.773 245 S HN 0.289 nan 8.310 nan 0.000 0.504 246 L N 2.376 123.633 121.223 0.056 0.000 2.325 246 L HA 0.320 4.661 4.340 0.001 0.000 0.284 246 L C 1.375 178.281 176.870 0.060 0.000 1.089 246 L CA 0.011 54.896 54.840 0.074 0.000 0.836 246 L CB 0.711 42.829 42.059 0.099 0.000 1.184 246 L HN 0.246 nan 8.230 nan 0.000 0.444 247 Q N 3.837 123.674 119.800 0.061 0.000 2.079 247 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 247 Q C -0.537 175.387 176.000 -0.126 0.000 0.974 247 Q CA 1.437 57.222 55.803 -0.031 0.000 0.840 247 Q CB 0.135 28.872 28.738 -0.002 0.000 0.898 247 Q HN 0.670 nan 8.270 nan 0.000 0.430 248 Y N 0.485 120.802 120.300 0.028 0.000 2.364 248 Y HA 0.381 4.931 4.550 0.001 0.000 0.340 248 Y C -2.059 173.856 175.900 0.025 0.000 0.975 248 Y CA -3.009 55.105 58.100 0.023 0.000 1.089 248 Y CB 1.361 39.825 38.460 0.008 0.000 1.192 248 Y HN 0.146 nan 8.280 nan 0.000 0.454 249 P HA 0.025 nan 4.420 nan 0.000 0.267 249 P C -0.759 176.554 177.300 0.022 0.000 1.200 249 P CA -0.276 62.849 63.100 0.042 0.000 0.772 249 P CB 0.670 32.336 31.700 -0.057 0.000 0.855 250 K N 1.450 121.849 120.400 -0.003 0.000 2.174 250 K HA 0.333 4.653 4.320 0.001 0.000 0.275 250 K C -0.018 176.536 176.600 -0.077 0.000 1.015 250 K CA -0.136 56.144 56.287 -0.011 0.000 0.933 250 K CB 0.530 33.047 32.500 0.028 0.000 1.025 250 K HN 0.329 nan 8.250 nan 0.000 0.463 251 T N 1.903 116.397 114.554 -0.099 0.000 2.743 251 T HA 0.230 4.581 4.350 0.001 0.000 0.292 251 T C 0.040 174.613 174.700 -0.212 0.000 0.972 251 T CA -0.566 61.440 62.100 -0.156 0.000 0.967 251 T CB 0.790 69.583 68.868 -0.124 0.000 0.926 251 T HN 0.116 nan 8.240 nan 0.000 0.459 252 V N 5.791 125.484 119.914 -0.368 0.000 2.530 252 V HA 0.398 4.519 4.120 0.001 0.000 0.282 252 V C 0.453 176.280 176.094 -0.444 0.000 1.048 252 V CA -0.429 61.597 62.300 -0.457 0.000 0.997 252 V CB 0.675 32.043 31.823 -0.758 0.000 0.987 252 V HN 0.723 nan 8.190 nan 0.000 0.477 253 R N 3.677 124.044 120.500 -0.223 0.000 2.451 253 R HA 0.703 5.044 4.340 0.001 0.000 0.307 253 R C -1.694 174.593 176.300 -0.021 0.000 0.965 253 R CA -0.593 55.425 56.100 -0.137 0.000 0.865 253 R CB 2.153 32.401 30.300 -0.086 0.000 1.174 253 R HN 0.496 nan 8.270 nan 0.000 0.455 254 V N 3.925 123.830 119.914 -0.016 0.000 2.531 254 V HA 0.331 4.452 4.120 0.001 0.000 0.301 254 V C -2.343 173.806 176.094 0.091 0.000 1.034 254 V CA -2.502 59.854 62.300 0.093 0.000 0.865 254 V CB 2.121 33.952 31.823 0.013 0.000 0.995 254 V HN 0.607 nan 8.190 nan 0.000 0.424 255 P HA 0.152 nan 4.420 nan 0.000 0.264 255 P C -1.316 176.097 177.300 0.189 0.000 1.229 255 P CA 0.348 63.557 63.100 0.182 0.000 0.780 255 P CB -0.214 31.632 31.700 0.244 0.000 0.808 256 Y N 6.448 126.734 120.300 -0.025 0.000 2.332 256 Y HA 0.411 4.962 4.550 0.001 0.000 0.325 256 Y C -2.730 173.146 175.900 -0.040 0.000 1.054 256 Y CA -2.779 55.260 58.100 -0.101 0.000 1.119 256 Y CB 1.997 40.285 38.460 -0.287 0.000 1.168 256 Y HN 0.271 nan 8.280 nan 0.000 0.439 257 P HA 0.279 nan 4.420 nan 0.000 0.291 257 P C -1.037 176.301 177.300 0.064 0.000 1.340 257 P CA -0.301 62.836 63.100 0.061 0.000 0.799 257 P CB 1.298 33.017 31.700 0.031 0.000 0.917 258 K N 1.987 122.510 120.400 0.205 0.000 2.120 258 K HA 0.494 4.815 4.320 0.001 0.000 0.245 258 K C 0.590 177.280 176.600 0.150 0.000 1.024 258 K CA -0.694 55.727 56.287 0.223 0.000 0.906 258 K CB 0.551 33.203 32.500 0.254 0.000 1.051 258 K HN 0.446 nan 8.250 nan 0.000 0.491 259 A N 0.814 123.746 122.820 0.187 0.000 2.561 259 A HA 0.286 4.606 4.320 0.001 0.000 0.251 259 A C 1.194 178.811 177.584 0.055 0.000 1.062 259 A CA 0.988 53.124 52.037 0.166 0.000 0.761 259 A CB -1.170 18.013 19.000 0.306 0.000 0.986 259 A HN 0.906 nan 8.150 nan 0.000 0.510 260 G N 0.940 109.763 108.800 0.038 0.000 2.199 260 G HA2 0.114 4.075 3.960 0.001 0.000 0.254 260 G HA3 0.114 4.075 3.960 0.001 0.000 0.254 260 G C 0.668 175.578 174.900 0.018 0.000 0.982 260 G CA 0.682 45.780 45.100 -0.003 0.000 0.632 260 G HN 2.148 nan 8.290 nan 0.000 0.529 261 A N -0.330 122.517 122.820 0.045 0.000 2.249 261 A HA 0.760 5.081 4.320 0.001 0.000 0.281 261 A C 0.833 178.446 177.584 0.049 0.000 1.127 261 A CA 0.304 52.371 52.037 0.050 0.000 0.833 261 A CB 0.685 19.728 19.000 0.072 0.000 1.140 261 A HN 1.147 nan 8.150 nan 0.000 0.502 262 V N 2.266 122.211 119.914 0.051 0.000 2.529 262 V HA 0.043 4.164 4.120 0.001 0.000 0.292 262 V C 0.308 176.443 176.094 0.069 0.000 1.028 262 V CA -0.096 62.234 62.300 0.051 0.000 1.074 262 V CB 0.051 31.905 31.823 0.051 0.000 0.958 262 V HN 0.803 nan 8.190 nan 0.000 0.481 263 N N 5.995 124.734 118.700 0.066 0.000 2.476 263 N HA 0.477 5.218 4.740 0.001 0.000 0.275 263 N C -2.390 173.199 175.510 0.131 0.000 1.190 263 N CA -1.505 51.605 53.050 0.100 0.000 0.977 263 N CB 1.018 39.557 38.487 0.086 0.000 1.200 263 N HN 0.390 nan 8.380 nan 0.000 0.515 264 P HA 0.081 nan 4.420 nan 0.000 0.270 264 P C -0.452 177.002 177.300 0.255 0.000 1.223 264 P CA -0.090 63.165 63.100 0.258 0.000 0.785 264 P CB 0.273 32.186 31.700 0.354 0.000 0.923 265 T N -1.707 112.982 114.554 0.225 0.000 2.952 265 T HA 0.614 4.964 4.350 0.001 0.000 0.286 265 T C -0.341 174.493 174.700 0.223 0.000 1.024 265 T CA -0.877 61.319 62.100 0.160 0.000 1.029 265 T CB 1.542 70.461 68.868 0.086 0.000 1.094 265 T HN 0.338 nan 8.240 nan 0.000 0.515 266 V N 0.475 120.492 119.914 0.172 0.000 2.841 266 V HA 0.744 4.865 4.120 0.001 0.000 0.310 266 V C -1.565 174.610 176.094 0.135 0.000 1.090 266 V CA -0.820 61.554 62.300 0.124 0.000 0.930 266 V CB 2.039 33.992 31.823 0.217 0.000 1.014 266 V HN 1.044 nan 8.190 nan 0.000 0.425 267 K N 4.603 125.015 120.400 0.020 0.000 2.482 267 K HA 0.593 4.914 4.320 0.001 0.000 0.257 267 K C -1.935 174.573 176.600 -0.154 0.000 0.969 267 K CA -0.533 55.729 56.287 -0.042 0.000 0.842 267 K CB 2.954 35.403 32.500 -0.085 0.000 1.359 267 K HN 0.548 nan 8.250 nan 0.000 0.441 268 F N 1.911 121.538 119.950 -0.539 0.000 2.540 268 F HA 0.590 5.118 4.527 0.001 0.000 0.317 268 F C -1.596 173.648 175.800 -0.928 0.000 1.104 268 F CA -0.639 57.036 58.000 -0.541 0.000 0.913 268 F CB 0.999 39.816 39.000 -0.305 0.000 1.170 268 F HN 0.415 nan 8.300 nan 0.000 0.450 269 F N 3.904 123.149 119.950 -1.174 0.000 2.613 269 F HA 0.755 5.283 4.527 0.001 0.000 0.314 269 F C -1.072 174.102 175.800 -1.043 0.000 1.075 269 F CA -1.194 56.227 58.000 -0.964 0.000 0.945 269 F CB 2.149 40.498 39.000 -1.085 0.000 1.310 269 F HN 0.151 nan 8.300 nan 0.000 0.467 270 V N 2.430 122.139 119.914 -0.342 0.000 2.638 270 V HA 0.646 4.766 4.120 0.001 0.000 0.306 270 V C -1.215 174.955 176.094 0.126 0.000 1.052 270 V CA -0.845 61.328 62.300 -0.212 0.000 0.885 270 V CB 2.040 33.539 31.823 -0.540 0.000 0.999 270 V HN 0.604 nan 8.190 nan 0.000 0.424 271 V N 4.297 124.355 119.914 0.240 0.000 2.604 271 V HA 0.516 4.637 4.120 0.001 0.000 0.305 271 V C -0.175 176.143 176.094 0.375 0.000 1.043 271 V CA -0.642 61.830 62.300 0.287 0.000 0.888 271 V CB 2.012 33.951 31.823 0.193 0.000 0.995 271 V HN 1.009 nan 8.190 nan 0.000 0.429 272 N N 3.060 121.965 118.700 0.343 0.000 2.406 272 N HA 0.156 4.897 4.740 0.001 0.000 0.251 272 N C 1.173 176.698 175.510 0.025 0.000 1.069 272 N CA 0.364 53.519 53.050 0.175 0.000 0.947 272 N CB 1.168 39.738 38.487 0.138 0.000 1.111 272 N HN 0.877 nan 8.380 nan 0.000 0.497 273 T N -0.222 114.329 114.554 -0.005 0.000 3.118 273 T HA -0.001 4.350 4.350 0.001 0.000 0.260 273 T C 0.639 175.291 174.700 -0.079 0.000 1.139 273 T CA 0.559 62.650 62.100 -0.014 0.000 1.085 273 T CB 0.099 69.051 68.868 0.140 0.000 0.934 273 T HN 0.379 nan 8.240 nan 0.000 0.518 274 D N 1.826 122.159 120.400 -0.111 0.000 2.349 274 D HA 0.078 4.719 4.640 0.001 0.000 0.215 274 D C 1.296 177.541 176.300 -0.093 0.000 1.016 274 D CA 0.589 54.524 54.000 -0.109 0.000 0.870 274 D CB 0.228 40.945 40.800 -0.138 0.000 0.917 274 D HN 0.653 nan 8.370 nan 0.000 0.524 275 S N -0.504 115.141 115.700 -0.091 0.000 2.809 275 S HA 0.271 4.742 4.470 0.001 0.000 0.248 275 S C 0.353 174.900 174.600 -0.089 0.000 1.071 275 S CA -0.592 57.572 58.200 -0.059 0.000 1.059 275 S CB -0.194 63.001 63.200 -0.009 0.000 0.923 275 S HN -0.032 nan 8.310 nan 0.000 0.516 276 L N 2.094 123.190 121.223 -0.212 0.000 2.417 276 L HA 0.543 4.883 4.340 0.001 0.000 0.268 276 L C 0.553 177.297 176.870 -0.210 0.000 1.158 276 L CA -0.198 54.433 54.840 -0.349 0.000 0.819 276 L CB 1.251 42.762 42.059 -0.915 0.000 1.112 276 L HN 0.367 nan 8.230 nan 0.000 0.458 277 S N 0.143 115.833 115.700 -0.017 0.000 2.513 277 S HA 0.303 4.773 4.470 0.001 0.000 0.299 277 S C 0.609 175.401 174.600 0.320 0.000 1.087 277 S CA -0.655 57.633 58.200 0.146 0.000 1.012 277 S CB 1.901 65.157 63.200 0.093 0.000 1.044 277 S HN 0.582 nan 8.310 nan 0.000 0.485 278 S N 2.613 118.497 115.700 0.306 0.000 2.489 278 S HA -0.008 4.463 4.470 0.001 0.000 0.228 278 S C 1.437 176.119 174.600 0.136 0.000 0.995 278 S CA 0.616 58.941 58.200 0.208 0.000 0.934 278 S CB -0.009 63.264 63.200 0.123 0.000 0.771 278 S HN 0.605 nan 8.310 nan 0.000 0.522 279 V N 1.127 121.112 119.914 0.118 0.000 3.125 279 V HA 0.128 4.249 4.120 0.001 0.000 0.249 279 V C 1.145 177.282 176.094 0.073 0.000 1.113 279 V CA 1.069 63.417 62.300 0.080 0.000 1.106 279 V CB -0.144 31.716 31.823 0.061 0.000 0.768 279 V HN 0.616 nan 8.190 nan 0.000 0.468 280 T N -1.667 112.940 114.554 0.088 0.000 2.906 280 T HA 0.440 4.791 4.350 0.001 0.000 0.295 280 T C -0.512 174.247 174.700 0.098 0.000 1.061 280 T CA -0.761 61.378 62.100 0.066 0.000 1.000 280 T CB 2.035 70.930 68.868 0.046 0.000 1.103 280 T HN 0.043 nan 8.240 nan 0.000 0.486 281 N N 1.054 119.797 118.700 0.071 0.000 2.482 281 N HA 0.478 5.219 4.740 0.001 0.000 0.260 281 N C 0.170 175.741 175.510 0.102 0.000 1.236 281 N CA -0.156 52.965 53.050 0.119 0.000 0.938 281 N CB 0.919 39.424 38.487 0.030 0.000 1.128 281 N HN 0.995 nan 8.380 nan 0.000 0.448 282 A N 0.777 123.673 122.820 0.128 0.000 2.340 282 A HA 0.374 4.694 4.320 0.001 0.000 0.268 282 A C 0.117 177.747 177.584 0.078 0.000 1.100 282 A CA -0.178 51.907 52.037 0.081 0.000 0.803 282 A CB 0.208 19.241 19.000 0.054 0.000 1.043 282 A HN 0.520 nan 8.150 nan 0.000 0.488 283 T N 2.411 117.015 114.554 0.083 0.000 2.743 283 T HA 0.423 4.773 4.350 0.001 0.000 0.292 283 T C 0.059 174.838 174.700 0.131 0.000 0.972 283 T CA 0.051 62.209 62.100 0.098 0.000 0.967 283 T CB 0.555 69.488 68.868 0.107 0.000 0.926 283 T HN 0.551 nan 8.240 nan 0.000 0.459 284 S N 3.859 119.628 115.700 0.115 0.000 2.480 284 S HA 0.472 4.943 4.470 0.001 0.000 0.286 284 S C 0.100 174.839 174.600 0.231 0.000 1.180 284 S CA -0.825 57.467 58.200 0.153 0.000 1.075 284 S CB 0.459 63.683 63.200 0.040 0.000 0.996 284 S HN 0.474 nan 8.310 nan 0.000 0.487 285 I N 3.058 123.789 120.570 0.268 0.000 2.331 285 I HA 0.290 4.461 4.170 0.001 0.000 0.292 285 I C 0.525 176.772 176.117 0.218 0.000 0.998 285 I CA -0.297 61.171 61.300 0.280 0.000 1.267 285 I CB 1.022 39.256 38.000 0.390 0.000 1.386 285 I HN 0.665 nan 8.210 nan 0.000 0.476 286 Q N 5.847 125.746 119.800 0.166 0.000 2.261 286 Q HA 0.512 4.852 4.340 0.001 0.000 0.252 286 Q C -1.072 174.883 176.000 -0.076 0.000 0.915 286 Q CA -0.484 55.232 55.803 -0.146 0.000 0.915 286 Q CB 1.374 29.988 28.738 -0.207 0.000 1.204 286 Q HN 0.543 nan 8.270 nan 0.000 0.421 287 I N 3.794 124.304 120.570 -0.099 0.000 2.355 287 I HA 0.212 4.383 4.170 0.001 0.000 0.288 287 I C 0.332 176.447 176.117 -0.003 0.000 0.999 287 I CA -0.645 60.662 61.300 0.011 0.000 1.163 287 I CB 1.566 39.607 38.000 0.069 0.000 1.316 287 I HN 0.668 nan 8.210 nan 0.000 0.454 288 T N 3.019 117.538 114.554 -0.060 0.000 2.899 288 T HA 0.680 5.031 4.350 0.001 0.000 0.284 288 T C 0.318 174.844 174.700 -0.290 0.000 1.004 288 T CA -0.811 61.201 62.100 -0.146 0.000 1.043 288 T CB 1.616 70.392 68.868 -0.152 0.000 1.013 288 T HN 0.583 nan 8.240 nan 0.000 0.518 289 A N 2.944 125.357 122.820 -0.679 0.000 2.366 289 A HA 0.610 4.931 4.320 0.001 0.000 0.249 289 A C -2.022 175.096 177.584 -0.776 0.000 1.084 289 A CA -1.583 49.634 52.037 -1.367 0.000 0.794 289 A CB -0.747 16.924 19.000 -2.214 0.000 1.034 289 A HN 0.794 nan 8.150 nan 0.000 0.491 290 P HA 0.174 nan 4.420 nan 0.000 0.270 290 P C 0.663 177.753 177.300 -0.350 0.000 1.223 290 P CA 0.539 63.411 63.100 -0.381 0.000 0.785 290 P CB 0.659 32.201 31.700 -0.263 0.000 0.923 291 A N 1.912 124.597 122.820 -0.224 0.000 1.969 291 A HA -0.157 4.163 4.320 0.001 0.000 0.218 291 A C 2.162 179.640 177.584 -0.177 0.000 1.169 291 A CA 2.032 53.956 52.037 -0.188 0.000 0.635 291 A CB -1.685 17.239 19.000 -0.127 0.000 0.810 291 A HN 0.645 nan 8.150 nan 0.000 0.445 292 S N -1.168 114.446 115.700 -0.144 0.000 2.469 292 S HA -0.105 4.365 4.470 0.001 0.000 0.238 292 S C 1.754 176.271 174.600 -0.139 0.000 0.998 292 S CA 1.517 59.651 58.200 -0.110 0.000 0.957 292 S CB -0.326 62.870 63.200 -0.006 0.000 0.764 292 S HN 0.387 nan 8.310 nan 0.000 0.514 293 M N 0.831 120.279 119.600 -0.253 0.000 2.429 293 M HA 0.343 4.823 4.480 0.001 0.000 0.265 293 M C 2.090 178.112 176.300 -0.464 0.000 1.120 293 M CA 0.722 55.792 55.300 -0.383 0.000 1.173 293 M CB -1.225 30.974 32.600 -0.668 0.000 1.343 293 M HN 0.325 nan 8.290 nan 0.000 0.464 294 L N 1.004 121.951 121.223 -0.460 0.000 2.265 294 L HA -0.177 4.164 4.340 0.001 0.000 0.215 294 L C 2.312 179.115 176.870 -0.111 0.000 1.117 294 L CA 0.725 55.396 54.840 -0.281 0.000 0.782 294 L CB -0.950 40.964 42.059 -0.242 0.000 0.914 294 L HN 0.310 nan 8.230 nan 0.000 0.441 295 I N -2.254 118.246 120.570 -0.116 0.000 2.530 295 I HA -0.024 4.147 4.170 0.001 0.000 0.257 295 I C 1.159 177.255 176.117 -0.035 0.000 1.179 295 I CA 1.084 62.341 61.300 -0.072 0.000 1.440 295 I CB -0.668 37.279 38.000 -0.087 0.000 1.087 295 I HN 0.134 nan 8.210 nan 0.000 0.440 296 G N -0.288 108.511 108.800 -0.001 0.000 2.634 296 G HA2 0.289 4.250 3.960 0.001 0.000 0.309 296 G HA3 0.289 4.250 3.960 0.001 0.000 0.309 296 G C -1.807 173.151 174.900 0.096 0.000 1.299 296 G CA -0.616 44.498 45.100 0.023 0.000 0.798 296 G HN 0.010 nan 8.290 nan 0.000 0.490 297 D N 1.328 121.733 120.400 0.008 0.000 2.488 297 D HA 0.401 5.041 4.640 0.001 0.000 0.238 297 D C 0.421 176.672 176.300 -0.081 0.000 1.138 297 D CA 0.877 54.824 54.000 -0.089 0.000 0.873 297 D CB 0.305 41.025 40.800 -0.134 0.000 1.183 297 D HN 0.545 nan 8.370 nan 0.000 0.458 298 H N -0.621 118.306 119.070 -0.238 0.000 2.960 298 H HA 0.429 4.986 4.556 0.001 0.000 0.323 298 H C -1.379 173.786 175.328 -0.271 0.000 1.326 298 H CA -0.834 55.073 56.048 -0.235 0.000 1.124 298 H CB 0.283 30.038 29.762 -0.011 0.000 1.853 298 H HN 0.284 nan 8.280 nan 0.000 0.536 299 Y N 0.160 120.693 120.300 0.389 0.000 2.499 299 Y HA 0.398 4.949 4.550 0.001 0.000 0.347 299 Y C -0.238 175.957 175.900 0.492 0.000 0.987 299 Y CA -1.168 57.164 58.100 0.386 0.000 1.044 299 Y CB 1.916 40.440 38.460 0.107 0.000 1.245 299 Y HN 0.481 nan 8.280 nan 0.000 0.461 300 L N 3.192 124.768 121.223 0.588 0.000 2.290 300 L HA 0.397 4.738 4.340 0.001 0.000 0.284 300 L C 0.452 177.370 176.870 0.079 0.000 1.078 300 L CA -0.161 54.683 54.840 0.007 0.000 0.815 300 L CB 0.494 42.465 42.059 -0.148 0.000 1.162 300 L HN 1.004 nan 8.230 nan 0.000 0.435 301 C N 1.280 120.487 119.300 -0.154 0.000 3.580 301 C HA 0.514 4.975 4.460 0.001 0.000 0.337 301 C C 0.122 174.968 174.990 -0.239 0.000 1.412 301 C CA -0.386 58.480 59.018 -0.253 0.000 1.797 301 C CB -0.642 27.007 27.740 -0.151 0.000 2.470 301 C HN 0.851 nan 8.230 nan 0.000 0.691 302 D N 0.350 120.641 120.400 -0.182 0.000 2.836 302 D HA 0.445 5.086 4.640 0.001 0.000 0.215 302 D C -1.869 174.192 176.300 -0.399 0.000 1.255 302 D CA 0.125 54.040 54.000 -0.142 0.000 0.822 302 D CB 2.817 43.516 40.800 -0.168 0.000 1.656 302 D HN 0.070 nan 8.370 nan 0.000 0.511 303 V N 2.411 122.020 119.914 -0.508 0.000 2.525 303 V HA 0.540 4.661 4.120 0.001 0.000 0.299 303 V C -0.424 175.310 176.094 -0.600 0.000 1.034 303 V CA -0.418 61.353 62.300 -0.881 0.000 0.863 303 V CB 1.931 32.712 31.823 -1.737 0.000 0.999 303 V HN 0.630 nan 8.190 nan 0.000 0.423 304 T N 3.552 117.831 114.554 -0.458 0.000 3.031 304 T HA 0.353 4.703 4.350 0.001 0.000 0.305 304 T C -0.876 173.687 174.700 -0.228 0.000 0.985 304 T CA -0.440 61.544 62.100 -0.194 0.000 1.008 304 T CB 0.791 69.613 68.868 -0.077 0.000 1.005 304 T HN 0.526 nan 8.240 nan 0.000 0.444 305 W N 2.212 123.452 121.300 -0.099 0.000 2.216 305 W HA 0.466 5.127 4.660 0.001 0.000 0.326 305 W C 1.163 177.565 176.519 -0.195 0.000 1.319 305 W CA -0.322 56.958 57.345 -0.108 0.000 1.213 305 W CB 0.544 30.022 29.460 0.029 0.000 1.171 305 W HN 0.848 nan 8.180 nan 0.000 0.557 306 A N 2.139 124.840 122.820 -0.198 0.000 1.942 306 A HA 0.178 4.499 4.320 0.001 0.000 0.209 306 A C 0.937 178.486 177.584 -0.059 0.000 1.214 306 A CA 1.537 53.253 52.037 -0.535 0.000 0.686 306 A CB -0.367 17.802 19.000 -1.384 0.000 0.871 306 A HN 0.532 nan 8.150 nan 0.000 0.460 307 T N -5.580 109.035 114.554 0.102 0.000 2.654 307 T HA 0.346 4.697 4.350 0.001 0.000 0.289 307 T C 0.187 175.052 174.700 0.276 0.000 1.062 307 T CA -0.403 61.802 62.100 0.175 0.000 1.041 307 T CB 0.688 69.644 68.868 0.147 0.000 1.417 307 T HN -0.029 nan 8.240 nan 0.000 0.510 308 Q N 0.327 120.255 119.800 0.213 0.000 2.291 308 Q HA 0.011 4.352 4.340 0.001 0.000 0.206 308 Q C 0.824 177.072 176.000 0.413 0.000 0.976 308 Q CA 1.453 57.383 55.803 0.211 0.000 0.875 308 Q CB -0.086 28.735 28.738 0.139 0.000 0.927 308 Q HN 0.819 nan 8.270 nan 0.000 0.450 309 E N -0.246 120.212 120.200 0.430 0.000 2.810 309 E HA 0.205 4.555 4.350 0.001 0.000 0.214 309 E C -0.309 176.586 176.600 0.491 0.000 0.980 309 E CA -0.176 56.506 56.400 0.471 0.000 1.159 309 E CB 0.969 30.843 29.700 0.289 0.000 1.047 309 E HN -0.072 nan 8.360 nan 0.000 0.484 310 R N 1.602 122.403 120.500 0.502 0.000 2.538 310 R HA 0.535 4.876 4.340 0.001 0.000 0.292 310 R C -1.731 174.611 176.300 0.071 0.000 1.008 310 R CA -0.415 55.852 56.100 0.279 0.000 0.896 310 R CB 1.326 31.675 30.300 0.081 0.000 1.187 310 R HN 0.051 nan 8.270 nan 0.000 0.440 311 I N 3.025 123.475 120.570 -0.200 0.000 2.608 311 I HA 0.484 4.655 4.170 0.001 0.000 0.295 311 I C -0.965 174.855 176.117 -0.495 0.000 1.049 311 I CA -0.479 60.436 61.300 -0.641 0.000 1.063 311 I CB 2.095 39.293 38.000 -1.336 0.000 1.248 311 I HN 0.852 nan 8.210 nan 0.000 0.424 312 S N 7.539 122.930 115.700 -0.516 0.000 2.475 312 S HA 0.756 5.227 4.470 0.001 0.000 0.298 312 S C -1.131 173.153 174.600 -0.527 0.000 1.119 312 S CA -0.662 57.303 58.200 -0.391 0.000 1.085 312 S CB 1.676 64.754 63.200 -0.204 0.000 1.028 312 S HN 0.433 nan 8.310 nan 0.000 0.489 313 L N 2.415 123.335 121.223 -0.506 0.000 2.386 313 L HA 0.538 4.879 4.340 0.001 0.000 0.271 313 L C -0.278 176.285 176.870 -0.512 0.000 0.993 313 L CA -0.195 54.233 54.840 -0.687 0.000 0.819 313 L CB 1.912 43.456 42.059 -0.860 0.000 1.294 313 L HN 0.848 nan 8.230 nan 0.000 0.414 314 Q N 1.940 121.419 119.800 -0.535 0.000 2.282 314 Q HA 0.499 4.839 4.340 0.001 0.000 0.260 314 Q C -1.564 174.181 176.000 -0.424 0.000 0.964 314 Q CA -0.398 55.200 55.803 -0.341 0.000 0.880 314 Q CB 2.019 30.627 28.738 -0.217 0.000 1.286 314 Q HN 0.484 nan 8.270 nan 0.000 0.445 315 W N 2.247 123.501 121.300 -0.077 0.000 2.706 315 W HA 0.626 5.287 4.660 0.001 0.000 0.346 315 W C -0.966 175.579 176.519 0.044 0.000 1.071 315 W CA -0.710 56.636 57.345 0.001 0.000 1.206 315 W CB 1.095 30.533 29.460 -0.037 0.000 1.413 315 W HN 0.361 nan 8.180 nan 0.000 0.542 316 L N 2.651 124.100 121.223 0.377 0.000 2.438 316 L HA 0.539 4.880 4.340 0.001 0.000 0.270 316 L C -0.101 176.957 176.870 0.315 0.000 0.972 316 L CA -1.209 53.811 54.840 0.299 0.000 0.831 316 L CB 1.278 43.502 42.059 0.274 0.000 1.273 316 L HN 0.411 nan 8.230 nan 0.000 0.405 317 R N 2.476 123.127 120.500 0.251 0.000 2.694 317 R HA 0.166 4.507 4.340 0.001 0.000 0.268 317 R C 1.025 177.391 176.300 0.110 0.000 1.061 317 R CA -0.033 56.164 56.100 0.162 0.000 1.133 317 R CB 0.531 30.916 30.300 0.142 0.000 1.020 317 R HN 0.650 nan 8.270 nan 0.000 0.475 318 R N 1.294 121.775 120.500 -0.032 0.000 2.127 318 R HA -0.070 4.271 4.340 0.001 0.000 0.238 318 R C 0.390 176.741 176.300 0.086 0.000 1.134 318 R CA 1.099 57.172 56.100 -0.045 0.000 0.975 318 R CB 0.180 30.404 30.300 -0.127 0.000 0.865 318 R HN 0.373 nan 8.270 nan 0.000 0.447 319 I N 2.723 123.330 120.570 0.061 0.000 2.329 319 I HA 0.009 4.180 4.170 0.001 0.000 0.295 319 I C 0.168 176.346 176.117 0.101 0.000 1.109 319 I CA 0.479 61.819 61.300 0.066 0.000 1.297 319 I CB 0.964 38.988 38.000 0.039 0.000 1.433 319 I HN 0.265 nan 8.210 nan 0.000 0.509 320 Q N 4.519 124.378 119.800 0.099 0.000 2.292 320 Q HA 0.011 4.352 4.340 0.001 0.000 0.247 320 Q C 0.485 176.565 176.000 0.133 0.000 0.911 320 Q CA -0.005 55.872 55.803 0.123 0.000 0.948 320 Q CB -0.158 28.617 28.738 0.063 0.000 1.093 320 Q HN 0.631 nan 8.270 nan 0.000 0.428 321 N N -0.829 117.950 118.700 0.133 0.000 2.235 321 N HA -0.015 4.726 4.740 0.001 0.000 0.231 321 N C -1.092 174.526 175.510 0.179 0.000 1.177 321 N CA -0.232 52.888 53.050 0.116 0.000 0.874 321 N CB 0.288 38.818 38.487 0.072 0.000 1.097 321 N HN 0.156 nan 8.380 nan 0.000 0.518 322 Y N -0.173 120.153 120.300 0.043 0.000 2.362 322 Y HA 0.577 5.128 4.550 0.001 0.000 0.326 322 Y C -1.313 174.623 175.900 0.060 0.000 1.083 322 Y CA -0.822 57.302 58.100 0.040 0.000 1.073 322 Y CB 1.858 40.333 38.460 0.025 0.000 1.211 322 Y HN 0.005 nan 8.280 nan 0.000 0.433 323 S N 4.355 119.920 115.700 -0.224 0.000 2.536 323 S HA 0.874 5.345 4.470 0.001 0.000 0.287 323 S C -1.956 172.525 174.600 -0.198 0.000 1.101 323 S CA -0.512 57.634 58.200 -0.089 0.000 0.950 323 S CB 1.321 64.493 63.200 -0.047 0.000 1.056 323 S HN 0.460 nan 8.310 nan 0.000 0.481 324 V N 4.994 124.894 119.914 -0.024 0.000 2.588 324 V HA 0.529 4.650 4.120 0.001 0.000 0.304 324 V C -0.255 175.876 176.094 0.061 0.000 1.042 324 V CA -0.679 61.617 62.300 -0.007 0.000 0.877 324 V CB 1.798 33.645 31.823 0.040 0.000 0.996 324 V HN 0.942 nan 8.190 nan 0.000 0.425 325 M N 3.715 123.324 119.600 0.015 0.000 2.180 325 M HA 0.503 4.984 4.480 0.001 0.000 0.350 325 M C -1.262 175.059 176.300 0.036 0.000 1.125 325 M CA -0.260 55.035 55.300 -0.008 0.000 1.031 325 M CB 1.067 33.617 32.600 -0.084 0.000 1.623 325 M HN 0.620 nan 8.290 nan 0.000 0.451 326 D N 5.193 125.606 120.400 0.022 0.000 2.185 326 D HA 0.529 5.169 4.640 0.001 0.000 0.247 326 D C -0.926 175.352 176.300 -0.037 0.000 1.027 326 D CA -0.059 53.950 54.000 0.015 0.000 0.861 326 D CB 1.831 42.660 40.800 0.047 0.000 1.202 326 D HN 0.595 nan 8.370 nan 0.000 0.453 327 I N 2.256 122.827 120.570 0.003 0.000 2.410 327 I HA 0.281 4.451 4.170 0.001 0.000 0.286 327 I C -0.616 175.505 176.117 0.007 0.000 1.009 327 I CA -0.602 60.694 61.300 -0.007 0.000 1.111 327 I CB 1.361 39.415 38.000 0.091 0.000 1.262 327 I HN 0.152 nan 8.210 nan 0.000 0.443 328 c N 3.954 122.547 118.600 -0.011 0.000 2.379 328 c HA 0.521 5.091 4.570 0.001 0.000 0.323 328 c C -0.311 173.932 174.090 0.255 0.000 1.262 328 c CA -0.681 55.710 56.329 0.102 0.000 1.581 328 c CB 0.991 43.549 42.510 0.081 0.000 2.221 328 c HN 0.586 nan 8.230 nan 0.000 0.497 329 D N 0.641 121.176 120.400 0.226 0.000 2.278 329 D HA 0.312 4.953 4.640 0.001 0.000 0.245 329 D C -0.558 175.671 176.300 -0.119 0.000 1.052 329 D CA -0.215 53.864 54.000 0.132 0.000 0.834 329 D CB 0.817 41.642 40.800 0.042 0.000 1.194 329 D HN 0.553 nan 8.370 nan 0.000 0.481 330 Y N 1.753 121.623 120.300 -0.718 0.000 2.526 330 Y HA 0.175 4.726 4.550 0.001 0.000 0.330 330 Y C -0.084 175.515 175.900 -0.501 0.000 1.156 330 Y CA 0.090 57.477 58.100 -1.189 0.000 1.419 330 Y CB 0.617 38.315 38.460 -1.270 0.000 1.250 330 Y HN 0.192 nan 8.280 nan 0.000 0.540 331 D N 5.231 125.010 120.400 -1.036 0.000 2.441 331 D HA 0.089 4.729 4.640 0.001 0.000 0.231 331 D C 0.650 176.387 176.300 -0.938 0.000 1.073 331 D CA -0.242 53.335 54.000 -0.705 0.000 0.850 331 D CB 0.810 41.361 40.800 -0.414 0.000 1.062 331 D HN 0.833 nan 8.370 nan 0.000 0.524 332 E N 1.975 121.794 120.200 -0.634 0.000 2.204 332 E HA -0.164 4.186 4.350 0.001 0.000 0.194 332 E C 1.189 177.669 176.600 -0.199 0.000 0.989 332 E CA 1.089 57.271 56.400 -0.364 0.000 0.824 332 E CB 0.354 30.047 29.700 -0.010 0.000 0.756 332 E HN 0.468 nan 8.360 nan 0.000 0.477 333 S N -0.330 115.261 115.700 -0.182 0.000 2.446 333 S HA -0.081 4.389 4.470 0.001 0.000 0.225 333 S C 2.055 176.592 174.600 -0.105 0.000 1.016 333 S CA 0.855 58.993 58.200 -0.103 0.000 0.943 333 S CB 0.130 63.282 63.200 -0.080 0.000 0.786 333 S HN 0.269 nan 8.310 nan 0.000 0.508 334 S N 0.311 115.911 115.700 -0.166 0.000 2.502 334 S HA 0.446 4.916 4.470 0.001 0.000 0.215 334 S C 1.646 176.175 174.600 -0.118 0.000 1.009 334 S CA 0.537 58.664 58.200 -0.122 0.000 0.908 334 S CB -0.497 62.630 63.200 -0.122 0.000 0.801 334 S HN 1.428 nan 8.310 nan 0.000 0.505 335 G N 1.670 110.335 108.800 -0.225 0.000 2.179 335 G HA2 -0.261 3.699 3.960 0.001 0.000 0.257 335 G HA3 -0.261 3.699 3.960 0.001 0.000 0.257 335 G C 0.084 174.942 174.900 -0.069 0.000 1.010 335 G CA 0.425 45.459 45.100 -0.111 0.000 0.736 335 G HN 0.625 nan 8.290 nan 0.000 0.513 336 R N -1.979 118.372 120.500 -0.248 0.000 2.923 336 R HA 0.650 4.991 4.340 0.001 0.000 0.252 336 R C -1.002 175.140 176.300 -0.264 0.000 1.130 336 R CA -0.911 55.136 56.100 -0.088 0.000 1.043 336 R CB 1.025 31.313 30.300 -0.019 0.000 1.205 336 R HN 0.138 nan 8.270 nan 0.000 0.495 337 W N 0.722 122.023 121.300 0.001 0.000 2.361 337 W HA 0.391 5.051 4.660 0.001 0.000 0.314 337 W C -0.482 176.020 176.519 -0.029 0.000 1.041 337 W CA -0.329 57.015 57.345 -0.003 0.000 1.241 337 W CB 1.159 30.620 29.460 0.003 0.000 1.279 337 W HN 0.391 nan 8.180 nan 0.000 0.436 338 N N 2.287 121.058 118.700 0.118 0.000 2.372 338 N HA 0.529 5.270 4.740 0.001 0.000 0.291 338 N C -1.444 174.107 175.510 0.068 0.000 1.024 338 N CA -0.676 52.410 53.050 0.060 0.000 0.873 338 N CB 1.269 39.752 38.487 -0.007 0.000 1.206 338 N HN 0.185 nan 8.380 nan 0.000 0.486 339 c N 3.126 121.752 118.600 0.044 0.000 2.250 339 c HA 0.359 4.929 4.570 0.001 0.000 0.319 339 c C 0.363 174.456 174.090 0.005 0.000 1.124 339 c CA -1.070 55.275 56.329 0.027 0.000 1.527 339 c CB -1.404 41.115 42.510 0.015 0.000 2.001 339 c HN 0.619 nan 8.230 nan 0.000 0.435 340 L N 2.575 123.803 121.223 0.008 0.000 2.499 340 L HA 0.044 4.385 4.340 0.001 0.000 0.273 340 L C 1.550 178.409 176.870 -0.020 0.000 1.195 340 L CA 0.124 54.961 54.840 -0.005 0.000 0.882 340 L CB 0.481 42.542 42.059 0.002 0.000 1.133 340 L HN 0.545 nan 8.230 nan 0.000 0.483 341 V N 3.223 123.118 119.914 -0.031 0.000 2.490 341 V HA -0.294 3.827 4.120 0.001 0.000 0.250 341 V C 2.297 178.354 176.094 -0.062 0.000 1.061 341 V CA 2.022 64.294 62.300 -0.046 0.000 1.064 341 V CB -0.654 31.143 31.823 -0.043 0.000 0.670 341 V HN 1.028 nan 8.190 nan 0.000 0.461 342 A N -0.166 122.624 122.820 -0.049 0.000 2.125 342 A HA -0.145 4.176 4.320 0.001 0.000 0.219 342 A C 2.155 179.690 177.584 -0.081 0.000 1.156 342 A CA 1.182 53.184 52.037 -0.058 0.000 0.671 342 A CB -0.389 18.592 19.000 -0.030 0.000 0.794 342 A HN 0.568 nan 8.150 nan 0.000 0.459 343 R N -0.736 119.728 120.500 -0.061 0.000 2.427 343 R HA 0.172 4.513 4.340 0.001 0.000 0.262 343 R C 0.216 176.435 176.300 -0.135 0.000 0.943 343 R CA -0.173 55.905 56.100 -0.036 0.000 1.081 343 R CB 0.190 30.537 30.300 0.078 0.000 1.166 343 R HN 0.561 nan 8.270 nan 0.000 0.534 344 Q N 0.537 120.204 119.800 -0.221 0.000 2.293 344 Q HA 0.134 4.475 4.340 0.001 0.000 0.251 344 Q C -1.048 174.698 176.000 -0.424 0.000 0.930 344 Q CA -0.055 55.633 55.803 -0.192 0.000 0.893 344 Q CB 0.846 29.519 28.738 -0.110 0.000 1.215 344 Q HN 0.245 nan 8.270 nan 0.000 0.425 345 H N 2.281 121.348 119.070 -0.004 0.000 2.823 345 H HA 0.391 4.948 4.556 0.001 0.000 0.332 345 H C -0.872 174.422 175.328 -0.057 0.000 0.980 345 H CA -0.401 55.646 56.048 -0.003 0.000 1.286 345 H CB 0.954 30.712 29.762 -0.008 0.000 1.541 345 H HN 0.476 nan 8.280 nan 0.000 0.521 346 I N 2.122 122.698 120.570 0.011 0.000 2.428 346 I HA 0.260 4.431 4.170 0.001 0.000 0.296 346 I C 0.039 176.094 176.117 -0.104 0.000 0.985 346 I CA -0.246 60.977 61.300 -0.129 0.000 1.260 346 I CB 1.493 39.392 38.000 -0.168 0.000 1.389 346 I HN 0.567 nan 8.210 nan 0.000 0.484 347 E N 7.588 127.663 120.200 -0.208 0.000 2.260 347 E HA 0.562 4.912 4.350 0.001 0.000 0.266 347 E C -1.249 175.246 176.600 -0.175 0.000 0.887 347 E CA -0.692 55.640 56.400 -0.114 0.000 0.777 347 E CB 1.481 31.146 29.700 -0.059 0.000 1.205 347 E HN 0.591 nan 8.360 nan 0.000 0.414 348 M N 1.130 120.680 119.600 -0.083 0.000 2.631 348 M HA 0.631 5.111 4.480 0.001 0.000 0.288 348 M C -1.272 175.032 176.300 0.007 0.000 1.260 348 M CA -0.948 54.338 55.300 -0.024 0.000 0.842 348 M CB 2.251 34.884 32.600 0.054 0.000 1.743 348 M HN 0.287 nan 8.290 nan 0.000 0.461 349 S N -0.088 115.619 115.700 0.012 0.000 2.594 349 S HA 0.512 4.982 4.470 0.001 0.000 0.296 349 S C 0.433 175.019 174.600 -0.022 0.000 1.124 349 S CA -0.004 58.181 58.200 -0.025 0.000 1.011 349 S CB 1.590 64.733 63.200 -0.095 0.000 1.016 349 S HN 0.889 nan 8.310 nan 0.000 0.485 350 T N 0.448 114.990 114.554 -0.020 0.000 3.067 350 T HA 0.016 4.367 4.350 0.001 0.000 0.257 350 T C 1.548 176.224 174.700 -0.040 0.000 1.105 350 T CA 1.104 63.195 62.100 -0.016 0.000 1.104 350 T CB -0.444 68.422 68.868 -0.003 0.000 0.925 350 T HN 0.690 nan 8.240 nan 0.000 0.498 351 T N -2.255 112.258 114.554 -0.069 0.000 3.014 351 T HA 0.606 4.957 4.350 0.001 0.000 0.250 351 T C 1.108 175.627 174.700 -0.302 0.000 1.060 351 T CA 0.331 62.384 62.100 -0.078 0.000 1.040 351 T CB 0.433 69.333 68.868 0.052 0.000 0.971 351 T HN 0.600 nan 8.240 nan 0.000 0.497 352 G N 0.396 108.858 108.800 -0.563 0.000 2.726 352 G HA2 0.491 4.452 3.960 0.001 0.000 0.198 352 G HA3 0.491 4.452 3.960 0.001 0.000 0.198 352 G C -1.671 172.963 174.900 -0.444 0.000 1.195 352 G CA -0.594 43.968 45.100 -0.898 0.000 0.951 352 G HN 0.494 nan 8.290 nan 0.000 0.532 353 W N -0.108 120.939 121.300 -0.423 0.000 2.367 353 W HA 0.755 5.415 4.660 0.001 0.000 0.369 353 W C -0.441 176.023 176.519 -0.091 0.000 1.276 353 W CA -1.325 55.898 57.345 -0.204 0.000 1.415 353 W CB 0.800 30.119 29.460 -0.235 0.000 1.306 353 W HN 0.263 nan 8.180 nan 0.000 0.669 354 V N 3.121 123.100 119.914 0.107 0.000 2.432 354 V HA 0.689 4.810 4.120 0.001 0.000 0.275 354 V C 0.769 176.933 176.094 0.116 0.000 1.043 354 V CA 0.314 62.642 62.300 0.047 0.000 0.925 354 V CB -0.070 31.783 31.823 0.050 0.000 0.985 354 V HN 1.287 nan 8.190 nan 0.000 0.466 355 G N 5.014 113.844 108.800 0.050 0.000 2.781 355 G HA2 -0.189 3.771 3.960 0.001 0.000 0.683 355 G HA3 -0.189 3.771 3.960 0.001 0.000 0.683 355 G C 0.335 175.321 174.900 0.143 0.000 1.390 355 G CA 0.157 45.314 45.100 0.094 0.000 0.850 355 G HN 0.656 nan 8.290 nan 0.000 0.557 356 R N -0.464 120.109 120.500 0.121 0.000 2.070 356 R HA 0.031 4.372 4.340 0.001 0.000 0.232 356 R C 2.003 178.267 176.300 -0.059 0.000 1.138 356 R CA 2.375 58.498 56.100 0.037 0.000 0.936 356 R CB -0.147 30.181 30.300 0.047 0.000 0.839 356 R HN 0.513 nan 8.270 nan 0.000 0.429 357 F N -0.948 119.139 119.950 0.229 0.000 2.784 357 F HA 0.277 4.805 4.527 0.001 0.000 0.323 357 F C 0.518 176.350 175.800 0.053 0.000 1.085 357 F CA -0.535 57.548 58.000 0.139 0.000 1.196 357 F CB 0.723 39.794 39.000 0.117 0.000 1.053 357 F HN -0.086 nan 8.300 nan 0.000 0.578 358 R N -0.780 119.860 120.500 0.233 0.000 2.728 358 R HA 0.394 4.734 4.340 0.001 0.000 0.274 358 R C -3.436 172.922 176.300 0.097 0.000 1.032 358 R CA -1.837 54.325 56.100 0.103 0.000 0.866 358 R CB 0.262 30.571 30.300 0.015 0.000 1.263 358 R HN -0.341 nan 8.270 nan 0.000 0.475 359 P HA -0.027 nan 4.420 nan 0.000 0.265 359 P C -0.213 177.106 177.300 0.032 0.000 1.187 359 P CA 0.168 63.286 63.100 0.031 0.000 0.766 359 P CB 0.626 32.320 31.700 -0.010 0.000 0.820 360 S N 1.356 117.084 115.700 0.046 0.000 2.600 360 S HA 0.201 4.672 4.470 0.001 0.000 0.265 360 S C 0.151 174.767 174.600 0.027 0.000 1.325 360 S CA -0.748 57.496 58.200 0.073 0.000 1.002 360 S CB 0.457 63.721 63.200 0.107 0.000 0.921 360 S HN 0.545 nan 8.310 nan 0.000 0.554 361 E N 1.119 121.354 120.200 0.057 0.000 2.283 361 E HA 0.378 4.728 4.350 0.001 0.000 0.278 361 E C -2.848 173.729 176.600 -0.038 0.000 1.027 361 E CA -2.275 54.112 56.400 -0.022 0.000 0.843 361 E CB 0.498 30.188 29.700 -0.017 0.000 1.062 361 E HN 0.401 nan 8.360 nan 0.000 0.401 362 P HA 0.237 nan 4.420 nan 0.000 0.281 362 P C -0.756 176.402 177.300 -0.237 0.000 1.249 362 P CA -0.289 62.661 63.100 -0.249 0.000 0.810 362 P CB 0.707 31.938 31.700 -0.782 0.000 1.008 363 H N 1.992 121.064 119.070 0.003 0.000 2.762 363 H HA 0.293 4.849 4.556 0.001 0.000 0.310 363 H C -0.353 175.076 175.328 0.168 0.000 1.004 363 H CA -0.328 55.809 56.048 0.148 0.000 1.267 363 H CB 0.289 30.169 29.762 0.197 0.000 1.437 363 H HN 0.309 nan 8.280 nan 0.000 0.498 364 F N 1.878 122.000 119.950 0.287 0.000 2.389 364 F HA 0.059 4.587 4.527 0.001 0.000 0.337 364 F C 1.662 177.650 175.800 0.312 0.000 1.112 364 F CA -0.396 57.785 58.000 0.303 0.000 1.192 364 F CB 1.027 40.137 39.000 0.184 0.000 1.185 364 F HN 0.386 nan 8.300 nan 0.000 0.552 365 T N 0.139 114.989 114.554 0.494 0.000 2.726 365 T HA 0.136 4.487 4.350 0.001 0.000 0.294 365 T C 1.243 176.134 174.700 0.318 0.000 1.013 365 T CA -0.632 61.697 62.100 0.381 0.000 0.996 365 T CB 0.593 69.673 68.868 0.354 0.000 1.016 365 T HN 0.600 nan 8.240 nan 0.000 0.529 366 L N 1.026 122.391 121.223 0.237 0.000 2.012 366 L HA -0.084 4.257 4.340 0.001 0.000 0.210 366 L C 2.413 179.391 176.870 0.180 0.000 1.073 366 L CA 2.181 57.135 54.840 0.190 0.000 0.748 366 L CB -0.573 41.574 42.059 0.146 0.000 0.891 366 L HN 0.945 nan 8.230 nan 0.000 0.431 367 D N -1.207 119.301 120.400 0.180 0.000 2.363 367 D HA -0.007 4.634 4.640 0.001 0.000 0.220 367 D C 1.535 177.948 176.300 0.188 0.000 0.994 367 D CA 0.791 54.889 54.000 0.163 0.000 0.890 367 D CB -0.365 40.519 40.800 0.140 0.000 0.906 367 D HN 0.292 nan 8.370 nan 0.000 0.530 368 G N 0.371 109.326 108.800 0.259 0.000 2.168 368 G HA2 -0.403 3.557 3.960 0.001 0.000 0.257 368 G HA3 -0.403 3.557 3.960 0.001 0.000 0.257 368 G C 0.698 175.815 174.900 0.361 0.000 0.997 368 G CA 0.492 45.782 45.100 0.316 0.000 0.708 368 G HN 0.522 nan 8.290 nan 0.000 0.520 369 N N -0.254 118.623 118.700 0.296 0.000 2.353 369 N HA 0.285 5.026 4.740 0.001 0.000 0.185 369 N C 0.793 176.433 175.510 0.217 0.000 1.098 369 N CA 0.595 53.785 53.050 0.234 0.000 0.872 369 N CB 0.278 38.859 38.487 0.156 0.000 0.970 369 N HN 0.639 nan 8.380 nan 0.000 0.467 370 S N -0.052 115.805 115.700 0.261 0.000 2.607 370 S HA 0.705 5.176 4.470 0.001 0.000 0.273 370 S C -1.160 173.528 174.600 0.146 0.000 1.148 370 S CA -1.056 57.176 58.200 0.054 0.000 0.833 370 S CB 1.458 64.633 63.200 -0.041 0.000 1.130 370 S HN 0.182 nan 8.310 nan 0.000 0.470 371 F N -1.784 118.008 119.950 -0.264 0.000 2.668 371 F HA 0.816 5.343 4.527 0.001 0.000 0.309 371 F C -2.139 173.501 175.800 -0.267 0.000 1.117 371 F CA -1.515 56.279 58.000 -0.344 0.000 0.951 371 F CB 0.617 39.035 39.000 -0.970 0.000 1.323 371 F HN 0.590 nan 8.300 nan 0.000 0.451 372 Y N 1.178 121.641 120.300 0.272 0.000 2.409 372 Y HA 0.708 5.258 4.550 0.001 0.000 0.339 372 Y C -0.195 175.878 175.900 0.289 0.000 1.033 372 Y CA -0.894 57.349 58.100 0.237 0.000 1.094 372 Y CB 2.117 40.659 38.460 0.136 0.000 1.210 372 Y HN 0.736 nan 8.280 nan 0.000 0.456 373 K N 2.731 123.363 120.400 0.386 0.000 2.557 373 K HA 0.482 4.803 4.320 0.001 0.000 0.257 373 K C -1.756 174.988 176.600 0.239 0.000 0.933 373 K CA -0.560 55.910 56.287 0.303 0.000 0.820 373 K CB 1.603 34.247 32.500 0.239 0.000 1.330 373 K HN 0.723 nan 8.250 nan 0.000 0.432 374 I N 5.045 125.728 120.570 0.188 0.000 2.471 374 I HA 0.172 4.343 4.170 0.001 0.000 0.286 374 I C -0.124 176.089 176.117 0.160 0.000 1.079 374 I CA -0.282 61.109 61.300 0.153 0.000 1.398 374 I CB 0.453 38.525 38.000 0.119 0.000 1.403 374 I HN 0.364 nan 8.210 nan 0.000 0.530 375 I N 4.832 125.525 120.570 0.206 0.000 2.769 375 I HA 0.175 4.346 4.170 0.001 0.000 0.298 375 I C 0.094 176.351 176.117 0.233 0.000 1.128 375 I CA -0.621 60.812 61.300 0.222 0.000 1.031 375 I CB 2.024 40.178 38.000 0.257 0.000 1.235 375 I HN 0.397 nan 8.210 nan 0.000 0.423 376 S N 4.753 120.523 115.700 0.116 0.000 2.505 376 S HA 0.197 4.668 4.470 0.001 0.000 0.276 376 S C 0.265 174.895 174.600 0.051 0.000 1.274 376 S CA -0.424 57.782 58.200 0.011 0.000 1.053 376 S CB -0.111 63.039 63.200 -0.084 0.000 0.919 376 S HN 0.710 nan 8.310 nan 0.000 0.490 377 N N 4.112 122.735 118.700 -0.129 0.000 2.328 377 N HA 0.152 4.893 4.740 0.001 0.000 0.277 377 N C 0.513 175.921 175.510 -0.169 0.000 1.286 377 N CA -0.206 52.628 53.050 -0.360 0.000 0.949 377 N CB -0.193 37.711 38.487 -0.973 0.000 1.136 377 N HN 0.584 nan 8.380 nan 0.000 0.550 378 E N -0.976 119.117 120.200 -0.178 0.000 2.347 378 E HA -0.060 4.291 4.350 0.001 0.000 0.196 378 E C 0.494 177.043 176.600 -0.085 0.000 1.008 378 E CA 0.985 57.332 56.400 -0.088 0.000 0.852 378 E CB -0.133 29.526 29.700 -0.068 0.000 0.783 378 E HN 0.691 nan 8.360 nan 0.000 0.505 379 E N -0.727 119.418 120.200 -0.091 0.000 2.463 379 E HA 0.183 4.534 4.350 0.001 0.000 0.193 379 E C 0.649 177.210 176.600 -0.065 0.000 1.041 379 E CA 0.245 56.631 56.400 -0.023 0.000 0.879 379 E CB 0.673 30.410 29.700 0.063 0.000 0.997 379 E HN 0.286 nan 8.360 nan 0.000 0.478 380 G N 0.871 109.581 108.800 -0.150 0.000 2.141 380 G HA2 -0.290 3.671 3.960 0.001 0.000 0.242 380 G HA3 -0.290 3.671 3.960 0.001 0.000 0.242 380 G C -0.396 174.229 174.900 -0.459 0.000 0.982 380 G CA -0.165 44.750 45.100 -0.309 0.000 0.662 380 G HN 0.242 nan 8.290 nan 0.000 0.527 381 Y N 0.264 120.436 120.300 -0.213 0.000 2.342 381 Y HA 0.647 5.198 4.550 0.001 0.000 0.334 381 Y C 1.145 176.888 175.900 -0.262 0.000 1.067 381 Y CA -0.874 57.086 58.100 -0.233 0.000 1.128 381 Y CB 1.066 39.402 38.460 -0.206 0.000 1.200 381 Y HN 0.079 nan 8.280 nan 0.000 0.464 382 R N 3.531 123.905 120.500 -0.210 0.000 2.234 382 R HA 0.319 4.659 4.340 0.001 0.000 0.324 382 R C -0.813 175.206 176.300 -0.469 0.000 1.054 382 R CA -0.213 55.764 56.100 -0.205 0.000 0.912 382 R CB 0.266 30.493 30.300 -0.122 0.000 1.030 382 R HN 0.655 nan 8.270 nan 0.000 0.455 383 H N 1.612 120.657 119.070 -0.043 0.000 2.949 383 H HA 0.351 4.908 4.556 0.001 0.000 0.356 383 H C -0.263 175.133 175.328 0.113 0.000 1.212 383 H CA -0.915 55.088 56.048 -0.075 0.000 1.136 383 H CB 1.660 31.271 29.762 -0.251 0.000 1.869 383 H HN 0.330 nan 8.280 nan 0.000 0.556 384 I N 1.272 121.934 120.570 0.153 0.000 2.416 384 I HA 0.063 4.234 4.170 0.001 0.000 0.288 384 I C 0.331 176.492 176.117 0.074 0.000 1.051 384 I CA 0.061 61.411 61.300 0.083 0.000 1.375 384 I CB 0.449 38.409 38.000 -0.066 0.000 1.407 384 I HN 0.156 nan 8.210 nan 0.000 0.516 385 c N 7.175 125.763 118.600 -0.021 0.000 2.411 385 c HA 0.436 5.007 4.570 0.001 0.000 0.330 385 c C -0.504 173.462 174.090 -0.208 0.000 1.224 385 c CA -0.472 55.632 56.329 -0.374 0.000 1.770 385 c CB 0.907 42.982 42.510 -0.724 0.000 2.297 385 c HN 0.635 nan 8.230 nan 0.000 0.507 386 Y N 4.875 124.842 120.300 -0.555 0.000 2.342 386 Y HA 0.653 5.204 4.550 0.001 0.000 0.338 386 Y C -1.051 174.378 175.900 -0.785 0.000 0.965 386 Y CA -1.072 56.641 58.100 -0.645 0.000 1.159 386 Y CB 0.178 38.346 38.460 -0.488 0.000 1.157 386 Y HN 0.609 nan 8.280 nan 0.000 0.486 387 F N 4.143 123.368 119.950 -1.208 0.000 2.458 387 F HA 0.479 5.007 4.527 0.001 0.000 0.330 387 F C -0.071 174.957 175.800 -1.287 0.000 1.082 387 F CA -0.772 56.447 58.000 -1.302 0.000 0.995 387 F CB 1.383 39.209 39.000 -1.957 0.000 1.170 387 F HN 0.307 nan 8.300 nan 0.000 0.478 388 Q N 3.045 122.471 119.800 -0.624 0.000 2.230 388 Q HA 0.325 4.666 4.340 0.001 0.000 0.253 388 Q C 1.226 177.187 176.000 -0.065 0.000 0.919 388 Q CA -0.412 55.183 55.803 -0.348 0.000 0.908 388 Q CB 1.817 30.416 28.738 -0.233 0.000 1.245 388 Q HN 0.864 nan 8.270 nan 0.000 0.437 389 I N -1.376 119.255 120.570 0.103 0.000 2.567 389 I HA -0.153 4.018 4.170 0.001 0.000 0.257 389 I C 0.435 176.767 176.117 0.358 0.000 1.184 389 I CA 1.389 62.899 61.300 0.349 0.000 1.451 389 I CB -0.066 38.155 38.000 0.368 0.000 1.089 389 I HN 0.345 nan 8.210 nan 0.000 0.441 390 D N 0.211 120.718 120.400 0.179 0.000 2.593 390 D HA 0.216 4.857 4.640 0.001 0.000 0.241 390 D C -0.105 176.227 176.300 0.053 0.000 1.257 390 D CA -0.286 53.769 54.000 0.093 0.000 0.828 390 D CB 0.143 40.975 40.800 0.053 0.000 1.049 390 D HN 0.208 nan 8.370 nan 0.000 0.490 391 K N 0.350 120.813 120.400 0.106 0.000 2.378 391 K HA 0.316 4.637 4.320 0.001 0.000 0.252 391 K C 0.458 177.122 176.600 0.107 0.000 0.931 391 K CA -0.681 55.630 56.287 0.040 0.000 0.794 391 K CB 2.847 35.324 32.500 -0.039 0.000 1.181 391 K HN -0.241 nan 8.250 nan 0.000 0.425 392 K N 0.565 120.982 120.400 0.029 0.000 2.062 392 K HA -0.012 4.309 4.320 0.001 0.000 0.205 392 K C -0.063 176.557 176.600 0.032 0.000 1.051 392 K CA 1.296 57.616 56.287 0.054 0.000 0.941 392 K CB 0.129 32.628 32.500 -0.002 0.000 0.719 392 K HN 0.504 nan 8.250 nan 0.000 0.440 393 D N 0.167 120.524 120.400 -0.070 0.000 2.308 393 D HA 0.063 4.704 4.640 0.001 0.000 0.251 393 D C -0.074 176.012 176.300 -0.358 0.000 1.127 393 D CA -0.225 53.672 54.000 -0.171 0.000 0.876 393 D CB 0.810 41.528 40.800 -0.137 0.000 1.176 393 D HN 0.270 nan 8.370 nan 0.000 0.446 394 c N 0.573 118.809 118.600 -0.607 0.000 2.345 394 c HA 0.792 5.363 4.570 0.001 0.000 0.370 394 c C 0.275 173.973 174.090 -0.653 0.000 1.209 394 c CA -0.618 55.141 56.329 -0.951 0.000 2.133 394 c CB 1.069 42.396 42.510 -1.971 0.000 2.293 394 c HN 0.466 nan 8.230 nan 0.000 0.544 395 T N 2.092 116.307 114.554 -0.565 0.000 2.770 395 T HA 0.459 4.810 4.350 0.001 0.000 0.283 395 T C -0.651 173.835 174.700 -0.358 0.000 0.988 395 T CA 0.152 62.067 62.100 -0.308 0.000 0.957 395 T CB 0.233 69.057 68.868 -0.072 0.000 0.930 395 T HN 0.482 nan 8.240 nan 0.000 0.443 396 F N 3.491 123.332 119.950 -0.181 0.000 2.543 396 F HA 0.218 4.746 4.527 0.001 0.000 0.375 396 F C 1.639 177.283 175.800 -0.260 0.000 1.075 396 F CA -0.776 57.104 58.000 -0.199 0.000 1.225 396 F CB 0.339 39.224 39.000 -0.193 0.000 1.099 396 F HN 0.584 nan 8.300 nan 0.000 0.561 397 I N -0.454 119.990 120.570 -0.211 0.000 3.941 397 I HA 0.191 4.362 4.170 0.001 0.000 0.321 397 I C 0.359 176.278 176.117 -0.329 0.000 1.284 397 I CA 0.171 61.115 61.300 -0.592 0.000 1.226 397 I CB 0.026 37.391 38.000 -1.058 0.000 1.045 397 I HN 0.491 nan 8.210 nan 0.000 0.420 398 T N 0.336 114.780 114.554 -0.184 0.000 2.916 398 T HA 0.711 5.062 4.350 0.001 0.000 0.292 398 T C -0.631 173.725 174.700 -0.572 0.000 1.064 398 T CA -0.712 61.268 62.100 -0.201 0.000 1.011 398 T CB 2.521 71.360 68.868 -0.049 0.000 1.152 398 T HN 0.493 nan 8.240 nan 0.000 0.510 399 K N -0.415 119.472 120.400 -0.856 0.000 2.597 399 K HA 0.771 5.092 4.320 0.001 0.000 0.282 399 K C -0.527 175.423 176.600 -1.083 0.000 0.975 399 K CA -0.959 54.544 56.287 -1.306 0.000 0.867 399 K CB 1.405 33.520 32.500 -0.641 0.000 1.465 399 K HN 1.510 nan 8.250 nan 0.000 0.417 400 G N -0.022 108.152 108.800 -1.043 0.000 2.359 400 G HA2 0.111 4.072 3.960 0.001 0.000 0.314 400 G HA3 0.111 4.072 3.960 0.001 0.000 0.314 400 G C -0.835 173.512 174.900 -0.921 0.000 1.364 400 G CA -0.375 44.285 45.100 -0.733 0.000 0.978 400 G HN 0.960 nan 8.290 nan 0.000 0.615 401 T N -0.404 113.748 114.554 -0.670 0.000 3.783 401 T HA 0.565 4.915 4.350 0.001 0.000 0.262 401 T C 0.196 174.663 174.700 -0.388 0.000 1.381 401 T CA 0.425 61.941 62.100 -0.973 0.000 1.155 401 T CB -0.936 67.627 68.868 -0.509 0.000 1.256 401 T HN 1.442 nan 8.240 nan 0.000 0.807 402 W N -0.349 120.772 121.300 -0.298 0.000 2.895 402 W HA 0.636 5.296 4.660 0.001 0.000 0.377 402 W C -1.566 174.947 176.519 -0.010 0.000 1.191 402 W CA -0.979 56.344 57.345 -0.037 0.000 1.179 402 W CB 0.686 30.120 29.460 -0.043 0.000 1.469 402 W HN 0.156 nan 8.180 nan 0.000 0.577 403 E N 0.853 121.244 120.200 0.319 0.000 2.317 403 E HA 0.439 4.790 4.350 0.001 0.000 0.270 403 E C -1.102 175.624 176.600 0.211 0.000 0.885 403 E CA -1.155 55.245 56.400 -0.001 0.000 0.760 403 E CB 3.406 33.139 29.700 0.055 0.000 1.227 403 E HN 0.168 nan 8.360 nan 0.000 0.434 404 V N 3.799 123.704 119.914 -0.016 0.000 2.508 404 V HA 0.003 4.124 4.120 0.001 0.000 0.281 404 V C 1.160 177.346 176.094 0.154 0.000 1.041 404 V CA 0.028 62.411 62.300 0.138 0.000 1.016 404 V CB 0.552 32.362 31.823 -0.022 0.000 0.984 404 V HN 0.691 nan 8.190 nan 0.000 0.478 405 I N 3.088 123.780 120.570 0.203 0.000 2.494 405 I HA 0.271 4.441 4.170 0.001 0.000 0.250 405 I C 1.120 177.354 176.117 0.195 0.000 1.112 405 I CA 1.151 62.568 61.300 0.195 0.000 1.438 405 I CB -0.718 37.341 38.000 0.098 0.000 1.111 405 I HN 0.747 nan 8.210 nan 0.000 0.431 406 G N 0.641 109.554 108.800 0.188 0.000 2.673 406 G HA2 0.568 4.529 3.960 0.001 0.000 0.292 406 G HA3 0.568 4.529 3.960 0.001 0.000 0.292 406 G C -1.281 173.711 174.900 0.153 0.000 1.450 406 G CA -0.528 44.677 45.100 0.175 0.000 0.837 406 G HN -0.042 nan 8.290 nan 0.000 0.505 407 I N 1.512 122.112 120.570 0.051 0.000 2.342 407 I HA 0.275 4.446 4.170 0.001 0.000 0.291 407 I C 0.612 176.673 176.117 -0.094 0.000 1.010 407 I CA -0.544 60.687 61.300 -0.115 0.000 1.308 407 I CB 1.760 39.454 38.000 -0.511 0.000 1.400 407 I HN 0.489 nan 8.210 nan 0.000 0.488 408 E N 4.723 124.921 120.200 -0.002 0.000 2.290 408 E HA 0.352 4.703 4.350 0.001 0.000 0.199 408 E C 0.145 176.688 176.600 -0.095 0.000 0.912 408 E CA 0.248 56.688 56.400 0.066 0.000 0.924 408 E CB 0.854 30.674 29.700 0.201 0.000 0.901 408 E HN 0.679 nan 8.360 nan 0.000 0.487 409 A N 0.550 123.212 122.820 -0.264 0.000 2.612 409 A HA 0.640 4.961 4.320 0.001 0.000 0.293 409 A C -1.973 175.528 177.584 -0.138 0.000 1.075 409 A CA -0.607 51.204 52.037 -0.377 0.000 0.680 409 A CB 1.368 19.641 19.000 -1.211 0.000 1.279 409 A HN 0.037 nan 8.150 nan 0.000 0.411 410 L N 1.161 122.347 121.223 -0.061 0.000 2.470 410 L HA 0.793 5.133 4.340 0.001 0.000 0.268 410 L C 0.128 177.026 176.870 0.046 0.000 0.964 410 L CA 0.546 55.387 54.840 0.001 0.000 0.839 410 L CB 2.049 44.134 42.059 0.044 0.000 1.276 410 L HN 1.259 nan 8.230 nan 0.000 0.403 411 T N -0.345 114.253 114.554 0.074 0.000 2.807 411 T HA 0.421 4.772 4.350 0.001 0.000 0.277 411 T C 1.030 175.765 174.700 0.059 0.000 1.006 411 T CA 0.124 62.277 62.100 0.088 0.000 1.006 411 T CB 1.119 70.070 68.868 0.139 0.000 1.274 411 T HN 0.663 nan 8.240 nan 0.000 0.569 412 S N -0.405 115.330 115.700 0.059 0.000 2.423 412 S HA -0.070 4.400 4.470 0.001 0.000 0.231 412 S C 0.930 175.509 174.600 -0.035 0.000 1.014 412 S CA 1.126 59.347 58.200 0.034 0.000 0.965 412 S CB -0.587 62.639 63.200 0.043 0.000 0.785 412 S HN 0.698 nan 8.310 nan 0.000 0.495 413 D N -0.675 119.687 120.400 -0.062 0.000 2.380 413 D HA 0.270 4.911 4.640 0.001 0.000 0.212 413 D C -0.505 175.471 176.300 -0.541 0.000 1.021 413 D CA 0.582 54.423 54.000 -0.265 0.000 0.884 413 D CB 0.263 40.925 40.800 -0.231 0.000 1.001 413 D HN 0.456 nan 8.370 nan 0.000 0.506 414 Y N -0.043 120.188 120.300 -0.116 0.000 2.524 414 Y HA 0.378 4.929 4.550 0.001 0.000 0.347 414 Y C -0.722 175.003 175.900 -0.291 0.000 1.005 414 Y CA -1.367 56.575 58.100 -0.263 0.000 1.025 414 Y CB 2.258 40.435 38.460 -0.471 0.000 1.275 414 Y HN -0.266 nan 8.280 nan 0.000 0.460 415 L N 3.220 124.328 121.223 -0.192 0.000 2.333 415 L HA 0.576 4.917 4.340 0.001 0.000 0.280 415 L C -2.020 174.747 176.870 -0.173 0.000 1.004 415 L CA -1.481 53.235 54.840 -0.206 0.000 0.820 415 L CB 0.220 42.047 42.059 -0.388 0.000 1.247 415 L HN 0.520 nan 8.230 nan 0.000 0.416 416 Y N 5.966 126.196 120.300 -0.116 0.000 2.330 416 Y HA 0.617 5.168 4.550 0.001 0.000 0.336 416 Y C -0.352 175.551 175.900 0.006 0.000 1.036 416 Y CA -0.207 57.820 58.100 -0.122 0.000 1.125 416 Y CB 1.330 39.597 38.460 -0.321 0.000 1.194 416 Y HN 0.637 nan 8.280 nan 0.000 0.469 417 Y N 1.035 121.388 120.300 0.089 0.000 2.597 417 Y HA 0.761 5.312 4.550 0.001 0.000 0.340 417 Y C -1.697 174.285 175.900 0.135 0.000 1.097 417 Y CA -1.748 56.399 58.100 0.079 0.000 1.037 417 Y CB 1.113 39.598 38.460 0.043 0.000 1.305 417 Y HN 0.288 nan 8.280 nan 0.000 0.463 418 I N 3.415 124.129 120.570 0.241 0.000 2.392 418 I HA 0.553 4.724 4.170 0.001 0.000 0.295 418 I C 0.006 176.293 176.117 0.283 0.000 0.985 418 I CA -0.185 61.213 61.300 0.163 0.000 1.221 418 I CB 1.485 39.540 38.000 0.092 0.000 1.366 418 I HN 0.889 nan 8.210 nan 0.000 0.467 419 S N 4.009 119.851 115.700 0.237 0.000 2.638 419 S HA 0.437 4.908 4.470 0.001 0.000 0.274 419 S C -0.290 174.364 174.600 0.089 0.000 1.157 419 S CA -0.812 57.511 58.200 0.206 0.000 0.826 419 S CB 1.921 65.231 63.200 0.183 0.000 1.139 419 S HN 0.601 nan 8.310 nan 0.000 0.474 420 N N -0.196 118.553 118.700 0.081 0.000 2.376 420 N HA 0.145 4.886 4.740 0.001 0.000 0.249 420 N C 0.571 176.056 175.510 -0.043 0.000 1.140 420 N CA -0.284 52.776 53.050 0.017 0.000 0.870 420 N CB 0.216 38.706 38.487 0.006 0.000 1.124 420 N HN 0.809 nan 8.380 nan 0.000 0.505 421 E N -0.149 119.868 120.200 -0.305 0.000 2.051 421 E HA -0.215 4.135 4.350 0.001 0.000 0.192 421 E C -0.365 176.090 176.600 -0.241 0.000 0.991 421 E CA 0.495 56.478 56.400 -0.695 0.000 0.799 421 E CB -0.074 28.688 29.700 -1.564 0.000 0.748 421 E HN 0.441 nan 8.360 nan 0.000 0.449 422 Y N 1.775 121.982 120.300 -0.154 0.000 2.721 422 Y HA -0.122 4.429 4.550 0.001 0.000 0.329 422 Y C 0.423 176.287 175.900 -0.060 0.000 1.211 422 Y CA 0.809 58.867 58.100 -0.069 0.000 1.512 422 Y CB 0.154 38.601 38.460 -0.022 0.000 1.249 422 Y HN 0.068 nan 8.280 nan 0.000 0.549 423 K N 3.426 123.536 120.400 -0.483 0.000 3.193 423 K HA -0.251 4.069 4.320 0.001 0.000 0.294 423 K C 0.857 177.384 176.600 -0.122 0.000 1.185 423 K CA 0.795 56.864 56.287 -0.364 0.000 0.866 423 K CB -1.856 30.376 32.500 -0.447 0.000 1.227 423 K HN 1.280 nan 8.250 nan 0.000 0.467 424 G N 0.739 109.487 108.800 -0.088 0.000 2.258 424 G HA2 -0.333 3.628 3.960 0.001 0.000 0.274 424 G HA3 -0.333 3.628 3.960 0.001 0.000 0.274 424 G C 0.026 174.909 174.900 -0.028 0.000 1.021 424 G CA 0.895 45.991 45.100 -0.007 0.000 0.798 424 G HN 0.347 nan 8.290 nan 0.000 0.507 425 M N 0.603 120.120 119.600 -0.138 0.000 2.069 425 M HA 0.245 4.726 4.480 0.001 0.000 0.349 425 M C -1.145 174.915 176.300 -0.400 0.000 1.194 425 M CA -2.033 53.025 55.300 -0.402 0.000 1.081 425 M CB 1.627 34.062 32.600 -0.275 0.000 1.500 425 M HN -0.095 nan 8.290 nan 0.000 0.438 426 P HA -0.038 nan 4.420 nan 0.000 0.230 426 P C 1.033 178.199 177.300 -0.225 0.000 1.158 426 P CA 0.966 63.898 63.100 -0.281 0.000 0.769 426 P CB 0.131 31.686 31.700 -0.242 0.000 0.807 427 G N -0.849 107.761 108.800 -0.317 0.000 3.189 427 G HA2 0.332 4.293 3.960 0.001 0.000 0.225 427 G HA3 0.332 4.293 3.960 0.001 0.000 0.225 427 G C 0.618 175.533 174.900 0.025 0.000 1.159 427 G CA 0.058 45.094 45.100 -0.108 0.000 0.763 427 G HN 0.409 nan 8.290 nan 0.000 0.549 428 G N -0.177 108.585 108.800 -0.064 0.000 2.471 428 G HA2 0.669 4.630 3.960 0.001 0.000 0.332 428 G HA3 0.669 4.630 3.960 0.001 0.000 0.332 428 G C -0.903 173.889 174.900 -0.180 0.000 1.176 428 G CA -0.760 44.325 45.100 -0.025 0.000 0.949 428 G HN 0.084 nan 8.290 nan 0.000 0.488 429 R N 0.832 121.190 120.500 -0.236 0.000 2.522 429 R HA 0.402 4.743 4.340 0.001 0.000 0.283 429 R C -1.391 174.867 176.300 -0.071 0.000 1.074 429 R CA -0.785 55.149 56.100 -0.277 0.000 0.925 429 R CB 2.057 31.955 30.300 -0.669 0.000 1.205 429 R HN 0.615 nan 8.270 nan 0.000 0.436 430 N N 1.572 120.249 118.700 -0.040 0.000 2.284 430 N HA 0.366 5.107 4.740 0.001 0.000 0.289 430 N C -1.270 174.082 175.510 -0.264 0.000 1.179 430 N CA -0.822 52.112 53.050 -0.193 0.000 0.774 430 N CB 2.795 41.058 38.487 -0.373 0.000 1.548 430 N HN 0.267 nan 8.380 nan 0.000 0.473 431 L N 2.018 122.942 121.223 -0.498 0.000 2.292 431 L HA 0.479 4.820 4.340 0.001 0.000 0.284 431 L C -1.395 175.061 176.870 -0.690 0.000 1.065 431 L CA -0.008 54.573 54.840 -0.431 0.000 0.806 431 L CB 0.040 41.858 42.059 -0.402 0.000 1.175 431 L HN 0.419 nan 8.230 nan 0.000 0.431 432 Y N 3.371 123.322 120.300 -0.583 0.000 2.570 432 Y HA 0.619 5.170 4.550 0.001 0.000 0.345 432 Y C -0.467 175.076 175.900 -0.594 0.000 1.014 432 Y CA -0.871 56.831 58.100 -0.664 0.000 1.063 432 Y CB 1.707 39.556 38.460 -1.020 0.000 1.272 432 Y HN 0.530 nan 8.280 nan 0.000 0.477 433 K N 1.925 122.157 120.400 -0.280 0.000 2.422 433 K HA 0.747 5.067 4.320 0.001 0.000 0.251 433 K C -1.844 174.746 176.600 -0.018 0.000 0.933 433 K CA -0.727 55.357 56.287 -0.338 0.000 0.798 433 K CB 2.819 34.845 32.500 -0.790 0.000 1.238 433 K HN 0.764 nan 8.250 nan 0.000 0.428 434 I N 2.030 122.662 120.570 0.103 0.000 2.433 434 I HA 0.146 4.316 4.170 0.001 0.000 0.292 434 I C -0.664 175.526 176.117 0.121 0.000 1.001 434 I CA -0.792 60.611 61.300 0.172 0.000 1.119 434 I CB 1.952 40.064 38.000 0.186 0.000 1.289 434 I HN 0.818 nan 8.210 nan 0.000 0.438 435 Q N 5.676 125.526 119.800 0.083 0.000 2.281 435 Q HA 0.092 4.433 4.340 0.001 0.000 0.267 435 Q C 0.185 176.121 176.000 -0.106 0.000 1.053 435 Q CA -0.504 55.178 55.803 -0.201 0.000 0.905 435 Q CB 1.079 29.734 28.738 -0.139 0.000 1.195 435 Q HN 0.723 nan 8.270 nan 0.000 0.398 436 L N 3.057 124.155 121.223 -0.207 0.000 2.275 436 L HA -0.132 4.208 4.340 0.001 0.000 0.215 436 L C 2.117 178.897 176.870 -0.149 0.000 1.119 436 L CA 1.621 56.423 54.840 -0.063 0.000 0.790 436 L CB -0.851 41.132 42.059 -0.126 0.000 0.919 436 L HN 0.714 nan 8.230 nan 0.000 0.443 437 S N -2.625 112.947 115.700 -0.213 0.000 2.575 437 S HA 0.060 4.530 4.470 0.001 0.000 0.215 437 S C 0.445 174.886 174.600 -0.265 0.000 0.966 437 S CA -0.089 57.973 58.200 -0.229 0.000 0.911 437 S CB 0.086 63.183 63.200 -0.172 0.000 0.780 437 S HN 0.373 nan 8.310 nan 0.000 0.514 438 D N -0.234 120.022 120.400 -0.240 0.000 2.333 438 D HA 0.193 4.834 4.640 0.001 0.000 0.225 438 D C -0.563 175.715 176.300 -0.037 0.000 1.345 438 D CA -0.505 53.383 54.000 -0.187 0.000 0.971 438 D CB 0.166 40.904 40.800 -0.103 0.000 1.451 438 D HN -0.040 nan 8.370 nan 0.000 0.561 439 Y N 1.068 121.348 120.300 -0.034 0.000 2.509 439 Y HA -0.061 4.489 4.550 0.001 0.000 0.293 439 Y C 2.575 178.480 175.900 0.007 0.000 1.133 439 Y CA 1.416 59.506 58.100 -0.016 0.000 1.283 439 Y CB -0.727 37.724 38.460 -0.015 0.000 1.001 439 Y HN 0.464 nan 8.280 nan 0.000 0.555 440 T N -2.413 112.220 114.554 0.132 0.000 3.072 440 T HA -0.055 4.295 4.350 0.001 0.000 0.266 440 T C 0.741 175.491 174.700 0.083 0.000 1.127 440 T CA 0.360 62.514 62.100 0.090 0.000 1.107 440 T CB -0.232 68.665 68.868 0.049 0.000 0.910 440 T HN 0.105 nan 8.240 nan 0.000 0.513 441 K N 2.227 122.678 120.400 0.085 0.000 2.231 441 K HA 0.464 4.785 4.320 0.001 0.000 0.255 441 K C -0.743 175.927 176.600 0.117 0.000 1.108 441 K CA -0.392 55.944 56.287 0.083 0.000 0.997 441 K CB 1.238 33.776 32.500 0.063 0.000 1.549 441 K HN 0.285 nan 8.250 nan 0.000 0.419 442 V N 1.130 121.114 119.914 0.117 0.000 2.513 442 V HA 0.476 4.597 4.120 0.001 0.000 0.299 442 V C -0.706 175.449 176.094 0.102 0.000 1.035 442 V CA -0.102 62.279 62.300 0.136 0.000 0.889 442 V CB 1.920 33.855 31.823 0.186 0.000 0.988 442 V HN 0.483 nan 8.190 nan 0.000 0.440 443 T N 6.159 120.747 114.554 0.058 0.000 2.786 443 T HA 0.318 4.669 4.350 0.001 0.000 0.283 443 T C -0.456 174.179 174.700 -0.109 0.000 0.992 443 T CA -0.218 61.866 62.100 -0.026 0.000 0.954 443 T CB 0.919 69.736 68.868 -0.085 0.000 0.934 443 T HN 1.001 nan 8.240 nan 0.000 0.440 444 C N 5.061 124.243 119.300 -0.197 0.000 2.499 444 C HA 0.405 4.866 4.460 0.001 0.000 0.386 444 C C 1.637 176.326 174.990 -0.502 0.000 1.293 444 C CA -0.449 58.201 59.018 -0.614 0.000 1.884 444 C CB -1.611 25.698 27.740 -0.719 0.000 2.509 444 C HN 0.981 nan 8.230 nan 0.000 0.566 445 L N 4.482 125.359 121.223 -0.577 0.000 2.513 445 L HA 0.099 4.440 4.340 0.001 0.000 0.222 445 L C 2.150 178.715 176.870 -0.509 0.000 1.096 445 L CA 0.748 55.331 54.840 -0.428 0.000 0.857 445 L CB -0.166 41.676 42.059 -0.361 0.000 1.026 445 L HN 0.871 nan 8.230 nan 0.000 0.469 446 S N -2.892 112.385 115.700 -0.704 0.000 2.549 446 S HA -0.006 4.465 4.470 0.001 0.000 0.225 446 S C 1.801 176.013 174.600 -0.648 0.000 1.039 446 S CA -0.182 57.500 58.200 -0.864 0.000 0.942 446 S CB -0.310 61.979 63.200 -1.519 0.000 0.881 446 S HN 0.288 nan 8.310 nan 0.000 0.503 447 C N 2.508 121.412 119.300 -0.659 0.000 2.429 447 C HA 0.070 4.531 4.460 0.001 0.000 0.277 447 C C 2.256 176.969 174.990 -0.460 0.000 1.262 447 C CA 0.788 59.351 59.018 -0.758 0.000 1.733 447 C CB -0.799 26.218 27.740 -1.205 0.000 2.010 447 C HN 0.578 nan 8.230 nan 0.000 0.483 448 E N 0.428 120.436 120.200 -0.319 0.000 2.476 448 E HA 0.187 4.538 4.350 0.001 0.000 0.196 448 E C 1.828 178.374 176.600 -0.090 0.000 1.029 448 E CA -0.028 56.281 56.400 -0.152 0.000 0.896 448 E CB -0.219 29.413 29.700 -0.113 0.000 1.012 448 E HN 0.641 nan 8.360 nan 0.000 0.475 449 L N 0.548 121.713 121.223 -0.098 0.000 2.017 449 L HA -0.087 4.254 4.340 0.001 0.000 0.208 449 L C 1.118 177.995 176.870 0.012 0.000 1.073 449 L CA 1.022 55.844 54.840 -0.029 0.000 0.745 449 L CB -0.079 41.978 42.059 -0.002 0.000 0.894 449 L HN 0.043 nan 8.230 nan 0.000 0.432 450 N N -1.395 117.326 118.700 0.035 0.000 2.824 450 N HA 0.105 4.845 4.740 0.001 0.000 0.224 450 N C -2.223 173.308 175.510 0.036 0.000 1.418 450 N CA -0.985 52.082 53.050 0.028 0.000 0.743 450 N CB 0.956 39.455 38.487 0.020 0.000 1.395 450 N HN -0.194 nan 8.380 nan 0.000 0.548 451 P HA -0.106 nan 4.420 nan 0.000 0.220 451 P C 0.970 178.312 177.300 0.069 0.000 1.148 451 P CA 1.029 64.173 63.100 0.073 0.000 0.803 451 P CB 0.710 32.472 31.700 0.102 0.000 0.782 452 E N 0.024 120.248 120.200 0.041 0.000 2.076 452 E HA -0.136 4.215 4.350 0.001 0.000 0.190 452 E C 2.344 178.949 176.600 0.009 0.000 0.979 452 E CA 0.463 56.880 56.400 0.028 0.000 0.807 452 E CB -0.062 29.649 29.700 0.018 0.000 0.761 452 E HN -0.001 nan 8.360 nan 0.000 0.454 453 R N -0.849 119.645 120.500 -0.010 0.000 2.140 453 R HA 0.105 4.445 4.340 0.001 0.000 0.213 453 R C -0.260 175.997 176.300 -0.070 0.000 1.059 453 R CA 0.670 56.743 56.100 -0.044 0.000 1.000 453 R CB 0.348 30.612 30.300 -0.062 0.000 0.910 453 R HN 0.127 nan 8.270 nan 0.000 0.455 454 c N 0.906 119.470 118.600 -0.059 0.000 2.356 454 c HA 0.395 4.965 4.570 0.001 0.000 0.324 454 c C -0.051 174.004 174.090 -0.058 0.000 1.167 454 c CA -0.668 55.567 56.329 -0.157 0.000 1.420 454 c CB 1.284 43.677 42.510 -0.195 0.000 2.036 454 c HN 0.527 nan 8.230 nan 0.000 0.435 455 Q N 0.525 120.291 119.800 -0.057 0.000 2.140 455 Q HA 0.215 4.556 4.340 0.001 0.000 0.227 455 Q C -0.917 175.135 176.000 0.088 0.000 0.798 455 Q CA 0.118 55.964 55.803 0.071 0.000 0.987 455 Q CB 1.348 30.149 28.738 0.104 0.000 1.161 455 Q HN 0.785 nan 8.270 nan 0.000 0.480 456 Y N 0.362 120.554 120.300 -0.179 0.000 2.317 456 Y HA 0.377 4.928 4.550 0.001 0.000 0.325 456 Y C -1.653 174.095 175.900 -0.252 0.000 1.066 456 Y CA -1.007 57.016 58.100 -0.130 0.000 1.203 456 Y CB 0.868 39.261 38.460 -0.112 0.000 1.127 456 Y HN -0.080 nan 8.280 nan 0.000 0.451 457 Y N 2.292 122.529 120.300 -0.105 0.000 2.524 457 Y HA 0.682 5.232 4.550 0.001 0.000 0.344 457 Y C 0.177 176.030 175.900 -0.078 0.000 1.012 457 Y CA -0.618 57.435 58.100 -0.079 0.000 1.068 457 Y CB 2.350 40.728 38.460 -0.135 0.000 1.249 457 Y HN 0.525 nan 8.280 nan 0.000 0.468 458 S N 0.627 116.420 115.700 0.155 0.000 2.704 458 S HA 0.890 5.361 4.470 0.001 0.000 0.296 458 S C -1.543 173.130 174.600 0.122 0.000 1.138 458 S CA -0.783 57.491 58.200 0.123 0.000 0.875 458 S CB 1.901 65.183 63.200 0.137 0.000 1.151 458 S HN 0.631 nan 8.310 nan 0.000 0.500 459 V N 0.092 120.076 119.914 0.117 0.000 3.147 459 V HA 0.855 4.976 4.120 0.001 0.000 0.306 459 V C -1.363 174.815 176.094 0.138 0.000 1.209 459 V CA -0.218 62.127 62.300 0.076 0.000 1.023 459 V CB 2.281 34.080 31.823 -0.040 0.000 1.059 459 V HN 1.235 nan 8.190 nan 0.000 0.435 460 S N 4.531 120.309 115.700 0.130 0.000 2.756 460 S HA 0.680 5.151 4.470 0.001 0.000 0.303 460 S C -1.239 173.508 174.600 0.245 0.000 1.135 460 S CA -0.376 57.989 58.200 0.275 0.000 1.066 460 S CB 0.518 63.931 63.200 0.356 0.000 1.008 460 S HN 0.504 nan 8.310 nan 0.000 0.482 461 F N 3.241 123.253 119.950 0.103 0.000 2.375 461 F HA 0.443 4.971 4.527 0.001 0.000 0.333 461 F C 1.452 176.875 175.800 -0.628 0.000 1.104 461 F CA -0.167 57.736 58.000 -0.161 0.000 1.149 461 F CB 1.457 40.342 39.000 -0.192 0.000 1.190 461 F HN 0.681 nan 8.300 nan 0.000 0.533 462 S N 2.323 117.426 115.700 -0.994 0.000 2.617 462 S HA 0.131 4.601 4.470 0.001 0.000 0.255 462 S C 1.224 175.628 174.600 -0.326 0.000 1.318 462 S CA -0.656 56.810 58.200 -1.224 0.000 0.978 462 S CB 0.655 63.133 63.200 -1.203 0.000 0.961 462 S HN 0.633 nan 8.310 nan 0.000 0.582 463 K N 0.723 121.047 120.400 -0.128 0.000 2.103 463 K HA -0.076 4.245 4.320 0.001 0.000 0.207 463 K C 0.608 177.221 176.600 0.021 0.000 1.048 463 K CA 1.358 57.658 56.287 0.021 0.000 0.930 463 K CB -0.229 32.326 32.500 0.091 0.000 0.716 463 K HN 0.686 nan 8.250 nan 0.000 0.444 464 E N -0.776 119.427 120.200 0.005 0.000 2.736 464 E HA 0.228 4.579 4.350 0.001 0.000 0.208 464 E C 0.014 176.602 176.600 -0.021 0.000 0.996 464 E CA -0.049 56.358 56.400 0.013 0.000 1.104 464 E CB 0.877 30.599 29.700 0.035 0.000 1.111 464 E HN 0.203 nan 8.360 nan 0.000 0.455 465 A N 1.384 124.176 122.820 -0.047 0.000 2.847 465 A HA -0.331 3.989 4.320 0.001 0.000 0.263 465 A C 1.535 179.112 177.584 -0.012 0.000 1.391 465 A CA 1.771 53.790 52.037 -0.030 0.000 0.866 465 A CB -2.039 16.831 19.000 -0.216 0.000 1.057 465 A HN 0.297 nan 8.150 nan 0.000 0.673 466 K N -1.794 118.549 120.400 -0.095 0.000 2.155 466 K HA 0.078 4.399 4.320 0.001 0.000 0.203 466 K C 0.143 176.417 176.600 -0.543 0.000 1.052 466 K CA 1.450 57.568 56.287 -0.282 0.000 0.948 466 K CB -0.010 32.318 32.500 -0.287 0.000 0.728 466 K HN 0.677 nan 8.250 nan 0.000 0.448 467 Y N -0.933 119.305 120.300 -0.104 0.000 2.576 467 Y HA 0.323 4.874 4.550 0.001 0.000 0.346 467 Y C -0.919 174.891 175.900 -0.150 0.000 1.018 467 Y CA -1.376 56.651 58.100 -0.120 0.000 1.050 467 Y CB 1.630 40.048 38.460 -0.070 0.000 1.280 467 Y HN -0.045 nan 8.280 nan 0.000 0.474 468 Y N -1.090 119.165 120.300 -0.075 0.000 2.504 468 Y HA 0.535 5.086 4.550 0.001 0.000 0.344 468 Y C -1.127 174.789 175.900 0.027 0.000 1.023 468 Y CA -1.555 56.352 58.100 -0.322 0.000 1.020 468 Y CB 1.465 39.220 38.460 -1.175 0.000 1.282 468 Y HN 0.591 nan 8.280 nan 0.000 0.454 469 Q N 3.847 123.770 119.800 0.206 0.000 2.278 469 Q HA 0.518 4.859 4.340 0.001 0.000 0.257 469 Q C -1.614 174.479 176.000 0.155 0.000 0.928 469 Q CA -0.612 55.286 55.803 0.158 0.000 0.932 469 Q CB 1.100 29.905 28.738 0.112 0.000 1.221 469 Q HN 0.951 nan 8.270 nan 0.000 0.434 470 L N 4.469 125.805 121.223 0.188 0.000 2.312 470 L HA 0.516 4.857 4.340 0.001 0.000 0.281 470 L C -0.203 176.733 176.870 0.110 0.000 1.070 470 L CA -0.529 54.409 54.840 0.163 0.000 0.805 470 L CB 1.174 43.324 42.059 0.151 0.000 1.174 470 L HN 0.600 nan 8.230 nan 0.000 0.434 471 R N 2.379 122.915 120.500 0.060 0.000 2.422 471 R HA 0.307 4.648 4.340 0.001 0.000 0.307 471 R C -1.033 175.129 176.300 -0.230 0.000 1.004 471 R CA -0.535 55.428 56.100 -0.227 0.000 0.882 471 R CB 1.487 31.716 30.300 -0.119 0.000 1.164 471 R HN 0.585 nan 8.270 nan 0.000 0.489 472 c N 2.150 120.492 118.600 -0.430 0.000 2.415 472 c HA 0.324 4.895 4.570 0.001 0.000 0.369 472 c C 1.074 174.928 174.090 -0.394 0.000 1.279 472 c CA -0.133 55.830 56.329 -0.610 0.000 1.886 472 c CB 0.319 42.416 42.510 -0.689 0.000 2.468 472 c HN 0.923 nan 8.230 nan 0.000 0.553 473 S N 3.082 118.638 115.700 -0.240 0.000 2.539 473 S HA 0.523 4.993 4.470 0.001 0.000 0.221 473 S C 0.529 175.073 174.600 -0.094 0.000 0.987 473 S CA 0.468 58.589 58.200 -0.131 0.000 0.929 473 S CB 0.210 63.366 63.200 -0.073 0.000 0.832 473 S HN 1.432 nan 8.310 nan 0.000 0.492 474 G N 1.629 110.362 108.800 -0.112 0.000 2.339 474 G HA2 0.235 4.196 3.960 0.001 0.000 0.302 474 G HA3 0.235 4.196 3.960 0.001 0.000 0.302 474 G C -3.116 171.760 174.900 -0.041 0.000 1.425 474 G CA -0.663 44.413 45.100 -0.039 0.000 0.899 474 G HN -0.177 nan 8.290 nan 0.000 0.619 475 P HA 0.176 nan 4.420 nan 0.000 0.245 475 P C 1.303 178.650 177.300 0.078 0.000 1.203 475 P CA 1.102 64.232 63.100 0.050 0.000 0.792 475 P CB 0.653 32.378 31.700 0.042 0.000 0.997 476 G N 0.659 109.437 108.800 -0.036 0.000 2.516 476 G HA2 0.360 4.321 3.960 0.001 0.000 0.276 476 G HA3 0.360 4.321 3.960 0.001 0.000 0.276 476 G C -0.237 174.442 174.900 -0.368 0.000 1.390 476 G CA -0.684 44.328 45.100 -0.146 0.000 1.050 476 G HN 0.035 nan 8.290 nan 0.000 0.519 477 L N 1.252 122.179 121.223 -0.493 0.000 2.456 477 L HA 0.167 4.508 4.340 0.001 0.000 0.272 477 L C -1.823 174.857 176.870 -0.317 0.000 1.189 477 L CA -1.310 53.169 54.840 -0.601 0.000 0.846 477 L CB 0.809 42.601 42.059 -0.444 0.000 1.111 477 L HN 0.245 nan 8.230 nan 0.000 0.475 478 P HA 0.034 nan 4.420 nan 0.000 0.265 478 P C -0.969 176.247 177.300 -0.139 0.000 1.187 478 P CA 0.005 62.998 63.100 -0.179 0.000 0.766 478 P CB 0.568 32.239 31.700 -0.048 0.000 0.820 479 L N 4.876 125.933 121.223 -0.275 0.000 2.438 479 L HA 0.491 4.832 4.340 0.001 0.000 0.270 479 L C -1.882 174.815 176.870 -0.289 0.000 0.972 479 L CA -0.693 54.054 54.840 -0.156 0.000 0.831 479 L CB 1.070 43.054 42.059 -0.124 0.000 1.273 479 L HN 0.219 nan 8.230 nan 0.000 0.405 480 Y N 2.753 123.010 120.300 -0.072 0.000 2.341 480 Y HA 0.768 5.318 4.550 0.001 0.000 0.338 480 Y C 0.345 176.143 175.900 -0.170 0.000 0.965 480 Y CA -0.503 57.536 58.100 -0.100 0.000 1.108 480 Y CB 2.222 40.594 38.460 -0.146 0.000 1.180 480 Y HN 0.679 nan 8.280 nan 0.000 0.458 481 T N 1.398 115.954 114.554 0.004 0.000 2.896 481 T HA 0.692 5.043 4.350 0.001 0.000 0.297 481 T C -1.285 173.307 174.700 -0.181 0.000 1.108 481 T CA -0.923 61.108 62.100 -0.115 0.000 1.004 481 T CB 1.805 70.650 68.868 -0.038 0.000 1.159 481 T HN 0.540 nan 8.240 nan 0.000 0.499 482 L N 1.526 122.508 121.223 -0.401 0.000 2.334 482 L HA 0.651 4.991 4.340 0.001 0.000 0.276 482 L C -1.079 175.378 176.870 -0.688 0.000 1.014 482 L CA -0.804 53.831 54.840 -0.342 0.000 0.815 482 L CB 1.686 43.614 42.059 -0.218 0.000 1.268 482 L HN 0.901 nan 8.230 nan 0.000 0.428 483 H N 0.237 119.091 119.070 -0.360 0.000 2.895 483 H HA 0.409 4.966 4.556 0.001 0.000 0.373 483 H C -0.600 174.488 175.328 -0.400 0.000 1.174 483 H CA -0.613 55.103 56.048 -0.553 0.000 1.144 483 H CB 2.066 31.073 29.762 -1.259 0.000 1.793 483 H HN 0.470 nan 8.280 nan 0.000 0.551 484 S N 0.269 115.886 115.700 -0.137 0.000 2.454 484 S HA 0.275 4.746 4.470 0.001 0.000 0.306 484 S C 0.352 174.915 174.600 -0.062 0.000 1.100 484 S CA -0.680 57.448 58.200 -0.121 0.000 1.087 484 S CB 1.712 64.868 63.200 -0.073 0.000 1.019 484 S HN 0.568 nan 8.310 nan 0.000 0.480 485 S N 2.340 118.029 115.700 -0.017 0.000 2.402 485 S HA -0.098 4.372 4.470 0.001 0.000 0.229 485 S C 1.870 176.511 174.600 0.069 0.000 1.021 485 S CA 0.932 59.229 58.200 0.162 0.000 0.974 485 S CB -0.431 62.855 63.200 0.144 0.000 0.800 485 S HN 0.701 nan 8.310 nan 0.000 0.484 486 V N 2.338 122.244 119.914 -0.013 0.000 2.332 486 V HA -0.151 3.969 4.120 0.001 0.000 0.248 486 V C 0.681 176.782 176.094 0.012 0.000 1.055 486 V CA 1.927 64.229 62.300 0.003 0.000 1.038 486 V CB -0.413 31.398 31.823 -0.021 0.000 0.651 486 V HN 0.515 nan 8.190 nan 0.000 0.450 487 N N -0.706 117.998 118.700 0.007 0.000 2.241 487 N HA 0.179 4.920 4.740 0.001 0.000 0.238 487 N C -0.561 174.958 175.510 0.015 0.000 1.244 487 N CA 0.208 53.263 53.050 0.008 0.000 0.880 487 N CB 0.526 39.017 38.487 0.007 0.000 1.179 487 N HN 0.331 nan 8.380 nan 0.000 0.513 488 D N 1.336 121.763 120.400 0.045 0.000 2.701 488 D HA -0.193 4.448 4.640 0.001 0.000 0.235 488 D C -0.477 175.854 176.300 0.051 0.000 1.155 488 D CA 1.118 55.169 54.000 0.085 0.000 0.649 488 D CB -0.583 40.264 40.800 0.078 0.000 1.050 488 D HN 0.456 nan 8.370 nan 0.000 0.425 489 K N 0.250 120.661 120.400 0.019 0.000 2.326 489 K HA 0.315 4.635 4.320 0.001 0.000 0.275 489 K C 1.066 177.657 176.600 -0.014 0.000 1.018 489 K CA 0.062 56.350 56.287 0.003 0.000 0.962 489 K CB 0.874 33.368 32.500 -0.010 0.000 0.953 489 K HN 0.132 nan 8.250 nan 0.000 0.475 490 G N 2.978 111.757 108.800 -0.034 0.000 2.393 490 G HA2 0.246 4.207 3.960 0.001 0.000 0.311 490 G HA3 0.246 4.207 3.960 0.001 0.000 0.311 490 G C 0.693 175.472 174.900 -0.201 0.000 1.067 490 G CA -0.444 44.540 45.100 -0.193 0.000 1.000 490 G HN 0.541 nan 8.290 nan 0.000 0.422 491 L N 1.786 122.850 121.223 -0.265 0.000 2.145 491 L HA 0.323 4.663 4.340 0.001 0.000 0.201 491 L C 1.657 178.437 176.870 -0.150 0.000 1.075 491 L CA 0.740 55.490 54.840 -0.150 0.000 0.773 491 L CB -0.107 41.886 42.059 -0.111 0.000 0.936 491 L HN 0.685 nan 8.230 nan 0.000 0.451 492 R N -1.648 118.719 120.500 -0.222 0.000 2.741 492 R HA 0.405 4.746 4.340 0.001 0.000 0.276 492 R C -1.699 174.468 176.300 -0.221 0.000 1.028 492 R CA -0.836 55.154 56.100 -0.183 0.000 0.865 492 R CB 1.521 31.746 30.300 -0.126 0.000 1.268 492 R HN -0.273 nan 8.270 nan 0.000 0.475 493 V N 3.137 122.951 119.914 -0.167 0.000 2.385 493 V HA 0.188 4.309 4.120 0.001 0.000 0.269 493 V C 1.325 177.290 176.094 -0.215 0.000 1.043 493 V CA -0.385 61.820 62.300 -0.159 0.000 0.906 493 V CB 1.053 32.818 31.823 -0.096 0.000 0.995 493 V HN 0.643 nan 8.190 nan 0.000 0.467 494 L N 2.672 123.700 121.223 -0.325 0.000 2.168 494 L HA 0.279 4.620 4.340 0.001 0.000 0.203 494 L C 0.753 177.389 176.870 -0.391 0.000 1.078 494 L CA 0.752 55.224 54.840 -0.613 0.000 0.780 494 L CB 0.208 41.557 42.059 -1.184 0.000 0.939 494 L HN 0.672 nan 8.230 nan 0.000 0.451 495 E N -0.093 120.005 120.200 -0.170 0.000 2.343 495 E HA 0.093 4.444 4.350 0.001 0.000 0.288 495 E C -1.226 175.424 176.600 0.083 0.000 0.907 495 E CA -0.396 55.999 56.400 -0.007 0.000 0.792 495 E CB 1.114 30.817 29.700 0.005 0.000 1.275 495 E HN 0.164 nan 8.360 nan 0.000 0.402 496 D N 2.998 123.423 120.400 0.041 0.000 2.433 496 D HA 0.146 4.786 4.640 0.001 0.000 0.211 496 D C -0.280 176.029 176.300 0.015 0.000 1.114 496 D CA -0.256 53.758 54.000 0.024 0.000 0.837 496 D CB -0.046 40.749 40.800 -0.008 0.000 0.984 496 D HN 0.448 nan 8.370 nan 0.000 0.505 497 N N 0.400 119.123 118.700 0.038 0.000 2.708 497 N HA -0.211 4.530 4.740 0.001 0.000 0.249 497 N C 0.829 176.339 175.510 0.000 0.000 1.097 497 N CA 0.943 54.006 53.050 0.022 0.000 0.710 497 N CB -1.258 37.228 38.487 -0.001 0.000 1.032 497 N HN 0.488 nan 8.380 nan 0.000 0.551 498 S N -1.117 114.587 115.700 0.006 0.000 2.402 498 S HA 0.011 4.481 4.470 0.001 0.000 0.229 498 S C 2.124 176.735 174.600 0.018 0.000 1.021 498 S CA 0.835 59.036 58.200 0.003 0.000 0.974 498 S CB -0.118 63.084 63.200 0.003 0.000 0.800 498 S HN 0.518 nan 8.310 nan 0.000 0.484 499 A N 2.281 125.120 122.820 0.032 0.000 1.865 499 A HA -0.002 4.319 4.320 0.001 0.000 0.217 499 A C 2.228 179.851 177.584 0.065 0.000 1.191 499 A CA 1.702 53.767 52.037 0.047 0.000 0.623 499 A CB -1.001 18.031 19.000 0.052 0.000 0.826 499 A HN 0.484 nan 8.150 nan 0.000 0.444 500 L N 0.370 121.635 121.223 0.069 0.000 2.083 500 L HA -0.176 4.165 4.340 0.001 0.000 0.209 500 L C 1.942 178.842 176.870 0.050 0.000 1.083 500 L CA 2.801 57.697 54.840 0.094 0.000 0.752 500 L CB -0.755 41.358 42.059 0.089 0.000 0.899 500 L HN 0.530 nan 8.230 nan 0.000 0.433 501 D N -0.919 119.483 120.400 0.004 0.000 2.104 501 D HA -0.224 4.416 4.640 0.001 0.000 0.194 501 D C 1.993 178.298 176.300 0.008 0.000 0.994 501 D CA 1.325 55.313 54.000 -0.019 0.000 0.830 501 D CB 0.114 40.892 40.800 -0.036 0.000 0.959 501 D HN 0.152 nan 8.370 nan 0.000 0.452 502 K N -0.177 120.240 120.400 0.027 0.000 2.026 502 K HA -0.098 4.223 4.320 0.001 0.000 0.208 502 K C 2.118 178.754 176.600 0.060 0.000 1.048 502 K CA 0.794 57.103 56.287 0.038 0.000 0.929 502 K CB -0.509 32.015 32.500 0.041 0.000 0.713 502 K HN 0.320 nan 8.250 nan 0.000 0.439 503 M N 0.827 120.484 119.600 0.096 0.000 2.080 503 M HA -0.093 4.387 4.480 0.001 0.000 0.260 503 M C 2.354 178.706 176.300 0.087 0.000 1.068 503 M CA 1.457 56.854 55.300 0.161 0.000 1.109 503 M CB -1.137 31.644 32.600 0.302 0.000 1.342 503 M HN 0.053 nan 8.290 nan 0.000 0.405 504 L N -0.474 120.752 121.223 0.005 0.000 2.275 504 L HA -0.210 4.131 4.340 0.001 0.000 0.215 504 L C 2.401 179.245 176.870 -0.043 0.000 1.119 504 L CA 0.825 55.607 54.840 -0.096 0.000 0.790 504 L CB -0.662 41.349 42.059 -0.080 0.000 0.919 504 L HN 0.435 nan 8.230 nan 0.000 0.443 505 Q N -0.259 119.537 119.800 -0.005 0.000 2.297 505 Q HA -0.185 4.155 4.340 0.001 0.000 0.208 505 Q C 1.610 177.621 176.000 0.019 0.000 0.981 505 Q CA 0.974 56.780 55.803 0.005 0.000 0.876 505 Q CB -0.124 28.622 28.738 0.013 0.000 0.921 505 Q HN 0.489 nan 8.270 nan 0.000 0.446 506 N N 0.222 118.942 118.700 0.033 0.000 2.398 506 N HA 0.010 4.750 4.740 0.001 0.000 0.188 506 N C -0.434 175.110 175.510 0.057 0.000 1.122 506 N CA 0.110 53.193 53.050 0.055 0.000 0.866 506 N CB 0.850 39.391 38.487 0.090 0.000 0.970 506 N HN 0.030 nan 8.380 nan 0.000 0.462 507 V N 0.192 120.117 119.914 0.020 0.000 2.914 507 V HA 0.298 4.419 4.120 0.001 0.000 0.314 507 V C -0.947 175.154 176.094 0.012 0.000 1.084 507 V CA -0.801 61.516 62.300 0.028 0.000 0.963 507 V CB 2.244 34.068 31.823 0.002 0.000 1.025 507 V HN -0.045 nan 8.190 nan 0.000 0.432 508 Q N 5.801 125.623 119.800 0.037 0.000 2.534 508 Q HA 0.343 4.684 4.340 0.001 0.000 0.223 508 Q C -0.422 175.560 176.000 -0.030 0.000 1.239 508 Q CA -0.219 55.583 55.803 -0.002 0.000 0.936 508 Q CB 0.531 29.294 28.738 0.042 0.000 1.457 508 Q HN 0.630 nan 8.270 nan 0.000 0.547 509 M N 3.279 122.839 119.600 -0.066 0.000 2.242 509 M HA 0.321 4.802 4.480 0.001 0.000 0.344 509 M C -1.991 174.236 176.300 -0.122 0.000 1.140 509 M CA -2.304 52.940 55.300 -0.094 0.000 1.160 509 M CB -0.131 32.412 32.600 -0.096 0.000 1.491 509 M HN 0.264 nan 8.290 nan 0.000 0.459 510 P HA 0.214 nan 4.420 nan 0.000 0.274 510 P C -0.687 176.518 177.300 -0.159 0.000 1.246 510 P CA -0.371 62.633 63.100 -0.161 0.000 0.795 510 P CB 0.428 32.019 31.700 -0.181 0.000 1.006 511 S N -0.316 115.280 115.700 -0.172 0.000 2.722 511 S HA 0.605 5.076 4.470 0.001 0.000 0.292 511 S C -0.449 174.046 174.600 -0.176 0.000 1.135 511 S CA -0.761 57.347 58.200 -0.154 0.000 1.003 511 S CB 1.474 64.584 63.200 -0.150 0.000 1.067 511 S HN 0.476 nan 8.310 nan 0.000 0.546 512 K N 0.408 120.725 120.400 -0.137 0.000 2.426 512 K HA 0.412 4.733 4.320 0.001 0.000 0.254 512 K C -1.282 175.254 176.600 -0.106 0.000 0.936 512 K CA -0.515 55.697 56.287 -0.125 0.000 0.801 512 K CB 1.347 33.790 32.500 -0.094 0.000 1.139 512 K HN 0.713 nan 8.250 nan 0.000 0.424 513 K N 4.707 125.034 120.400 -0.121 0.000 2.206 513 K HA 0.351 4.672 4.320 0.001 0.000 0.264 513 K C -1.491 175.069 176.600 -0.067 0.000 0.967 513 K CA -0.820 55.408 56.287 -0.098 0.000 0.844 513 K CB 0.976 33.394 32.500 -0.137 0.000 1.099 513 K HN 0.448 nan 8.250 nan 0.000 0.441 514 L N 3.892 125.095 121.223 -0.033 0.000 2.333 514 L HA 0.559 4.900 4.340 0.001 0.000 0.280 514 L C -1.150 175.719 176.870 -0.001 0.000 1.004 514 L CA 0.200 55.051 54.840 0.019 0.000 0.820 514 L CB 1.483 43.619 42.059 0.129 0.000 1.247 514 L HN 0.861 nan 8.230 nan 0.000 0.416 515 D N 2.594 122.851 120.400 -0.239 0.000 2.851 515 D HA 0.484 5.125 4.640 0.001 0.000 0.339 515 D C -1.719 174.216 176.300 -0.609 0.000 1.347 515 D CA -0.031 53.699 54.000 -0.450 0.000 0.888 515 D CB 1.515 41.997 40.800 -0.530 0.000 1.431 515 D HN 0.255 nan 8.370 nan 0.000 0.509 516 F N 0.076 119.702 119.950 -0.540 0.000 2.613 516 F HA 0.695 5.223 4.527 0.001 0.000 0.310 516 F C -0.787 175.084 175.800 0.119 0.000 1.085 516 F CA -1.074 56.709 58.000 -0.361 0.000 0.945 516 F CB 1.076 39.430 39.000 -1.076 0.000 1.298 516 F HN 0.295 nan 8.300 nan 0.000 0.455 517 I N 0.558 121.443 120.570 0.526 0.000 2.797 517 I HA 0.676 4.847 4.170 0.001 0.000 0.307 517 I C -1.347 175.027 176.117 0.428 0.000 1.033 517 I CA -1.219 60.317 61.300 0.394 0.000 1.071 517 I CB 2.415 40.589 38.000 0.289 0.000 1.255 517 I HN 0.701 nan 8.210 nan 0.000 0.445 518 I N 4.647 125.400 120.570 0.305 0.000 2.328 518 I HA 0.374 4.544 4.170 0.001 0.000 0.287 518 I C -0.639 175.619 176.117 0.235 0.000 1.012 518 I CA -0.429 61.024 61.300 0.254 0.000 1.195 518 I CB 1.520 39.631 38.000 0.185 0.000 1.350 518 I HN 0.381 nan 8.210 nan 0.000 0.464 519 L N 6.618 128.047 121.223 0.345 0.000 2.307 519 L HA 0.335 4.676 4.340 0.001 0.000 0.284 519 L C 0.085 177.097 176.870 0.237 0.000 1.023 519 L CA -1.062 53.948 54.840 0.283 0.000 0.810 519 L CB 1.367 43.617 42.059 0.317 0.000 1.231 519 L HN 0.713 nan 8.230 nan 0.000 0.423 520 N N 2.333 121.109 118.700 0.126 0.000 3.044 520 N HA -0.288 4.453 4.740 0.001 0.000 0.308 520 N C 0.319 175.872 175.510 0.072 0.000 1.097 520 N CA 1.184 54.281 53.050 0.078 0.000 0.828 520 N CB -0.466 38.048 38.487 0.045 0.000 0.968 520 N HN 0.818 nan 8.380 nan 0.000 0.623 521 E N -2.421 117.816 120.200 0.061 0.000 4.129 521 E HA -0.172 4.179 4.350 0.001 0.000 0.354 521 E C -1.123 175.472 176.600 -0.009 0.000 0.673 521 E CA 1.652 58.067 56.400 0.026 0.000 1.347 521 E CB -1.472 28.237 29.700 0.014 0.000 1.722 521 E HN 0.779 nan 8.360 nan 0.000 0.410 522 T N 0.911 115.461 114.554 -0.008 0.000 2.841 522 T HA 0.447 4.797 4.350 0.001 0.000 0.283 522 T C -0.662 173.881 174.700 -0.263 0.000 1.000 522 T CA -0.861 61.129 62.100 -0.183 0.000 0.977 522 T CB 1.529 70.230 68.868 -0.278 0.000 0.979 522 T HN 0.003 nan 8.240 nan 0.000 0.446 523 K N 2.538 122.718 120.400 -0.368 0.000 2.276 523 K HA 0.415 4.735 4.320 0.001 0.000 0.283 523 K C -1.026 175.295 176.600 -0.466 0.000 1.044 523 K CA -0.090 55.983 56.287 -0.356 0.000 0.944 523 K CB 0.601 32.723 32.500 -0.631 0.000 1.012 523 K HN 0.439 nan 8.250 nan 0.000 0.472 524 F N 1.625 121.642 119.950 0.112 0.000 2.507 524 F HA 0.311 4.839 4.527 0.001 0.000 0.325 524 F C -0.345 175.595 175.800 0.232 0.000 1.116 524 F CA -0.922 57.175 58.000 0.162 0.000 0.930 524 F CB 1.066 40.172 39.000 0.178 0.000 1.146 524 F HN 0.440 nan 8.300 nan 0.000 0.447 525 W N 3.449 124.923 121.300 0.290 0.000 2.381 525 W HA 0.521 5.182 4.660 0.001 0.000 0.329 525 W C -0.688 176.069 176.519 0.396 0.000 1.157 525 W CA -0.552 56.978 57.345 0.308 0.000 1.240 525 W CB 0.780 30.340 29.460 0.167 0.000 1.199 525 W HN 0.435 nan 8.180 nan 0.000 0.579 526 Y N -0.288 120.370 120.300 0.597 0.000 2.588 526 Y HA 0.632 5.183 4.550 0.001 0.000 0.343 526 Y C -0.989 175.131 175.900 0.366 0.000 1.065 526 Y CA -1.877 56.550 58.100 0.545 0.000 1.038 526 Y CB 1.084 39.997 38.460 0.755 0.000 1.297 526 Y HN 0.570 nan 8.280 nan 0.000 0.467 527 Q N 2.539 122.571 119.800 0.386 0.000 2.394 527 Q HA 0.764 5.105 4.340 0.001 0.000 0.273 527 Q C -1.686 174.435 176.000 0.202 0.000 1.089 527 Q CA -1.169 54.747 55.803 0.190 0.000 0.812 527 Q CB 3.267 32.081 28.738 0.126 0.000 1.353 527 Q HN 0.864 nan 8.270 nan 0.000 0.438 528 M N 2.511 122.150 119.600 0.064 0.000 2.259 528 M HA 0.418 4.899 4.480 0.001 0.000 0.304 528 M C -1.210 175.013 176.300 -0.128 0.000 1.019 528 M CA -0.940 54.330 55.300 -0.050 0.000 0.922 528 M CB 2.102 34.628 32.600 -0.124 0.000 1.600 528 M HN 0.598 nan 8.290 nan 0.000 0.433 529 I N 5.168 125.661 120.570 -0.128 0.000 2.322 529 I HA 0.319 4.490 4.170 0.001 0.000 0.292 529 I C -0.374 175.596 176.117 -0.245 0.000 1.060 529 I CA -0.127 61.069 61.300 -0.173 0.000 1.309 529 I CB -0.080 37.836 38.000 -0.140 0.000 1.415 529 I HN 0.636 nan 8.210 nan 0.000 0.492 530 L N 8.368 129.396 121.223 -0.325 0.000 2.309 530 L HA 0.461 4.801 4.340 0.001 0.000 0.282 530 L C -2.176 174.507 176.870 -0.312 0.000 1.036 530 L CA -1.843 52.715 54.840 -0.470 0.000 0.806 530 L CB 1.563 43.176 42.059 -0.744 0.000 1.220 530 L HN 0.256 nan 8.230 nan 0.000 0.429 531 P HA 0.041 nan 4.420 nan 0.000 0.269 531 P C -2.456 174.799 177.300 -0.074 0.000 1.217 531 P CA -0.810 62.219 63.100 -0.118 0.000 0.783 531 P CB -0.259 31.418 31.700 -0.038 0.000 0.898 532 P HA -0.039 nan 4.420 nan 0.000 0.266 532 P C -0.429 176.807 177.300 -0.106 0.000 1.195 532 P CA 0.498 63.479 63.100 -0.198 0.000 0.768 532 P CB -0.235 31.315 31.700 -0.251 0.000 0.838 533 H N -1.897 117.208 119.070 0.058 0.000 2.791 533 H HA -0.215 4.341 4.556 0.001 0.000 0.302 533 H C 0.006 175.388 175.328 0.091 0.000 1.198 533 H CA -0.066 56.019 56.048 0.062 0.000 1.145 533 H CB -2.593 27.198 29.762 0.049 0.000 1.385 533 H HN 0.332 nan 8.280 nan 0.000 0.409 534 F N 2.346 122.291 119.950 -0.009 0.000 2.612 534 F HA 0.107 4.635 4.527 0.001 0.000 0.389 534 F C 0.493 176.306 175.800 0.021 0.000 1.055 534 F CA -0.080 57.872 58.000 -0.079 0.000 1.232 534 F CB 0.453 39.296 39.000 -0.262 0.000 1.044 534 F HN 0.262 nan 8.300 nan 0.000 0.560 535 D N 6.372 126.412 120.400 -0.599 0.000 2.462 535 D HA 0.117 4.757 4.640 0.001 0.000 0.245 535 D C 0.584 176.511 176.300 -0.623 0.000 1.122 535 D CA -0.534 53.210 54.000 -0.426 0.000 0.864 535 D CB 1.090 41.806 40.800 -0.139 0.000 1.098 535 D HN 0.715 nan 8.370 nan 0.000 0.541 536 K N 1.197 121.243 120.400 -0.590 0.000 2.515 536 K HA -0.081 4.240 4.320 0.001 0.000 0.196 536 K C 1.000 177.589 176.600 -0.017 0.000 1.038 536 K CA 0.758 56.865 56.287 -0.299 0.000 0.967 536 K CB 0.003 32.481 32.500 -0.038 0.000 0.780 536 K HN 0.172 nan 8.250 nan 0.000 0.483 537 S N 0.037 115.692 115.700 -0.074 0.000 2.631 537 S HA 0.118 4.589 4.470 0.001 0.000 0.217 537 S C 0.123 174.686 174.600 -0.063 0.000 0.958 537 S CA -0.612 57.566 58.200 -0.036 0.000 0.920 537 S CB -0.002 63.171 63.200 -0.044 0.000 0.776 537 S HN 0.192 nan 8.310 nan 0.000 0.517 538 K N 1.011 121.353 120.400 -0.097 0.000 2.185 538 K HA 0.457 4.778 4.320 0.001 0.000 0.240 538 K C -0.786 175.730 176.600 -0.140 0.000 0.983 538 K CA -0.719 55.446 56.287 -0.202 0.000 0.873 538 K CB 1.230 33.474 32.500 -0.428 0.000 1.118 538 K HN 0.090 nan 8.250 nan 0.000 0.441 539 K N 2.163 122.434 120.400 -0.216 0.000 2.367 539 K HA 0.267 4.588 4.320 0.001 0.000 0.263 539 K C -1.133 175.355 176.600 -0.187 0.000 1.000 539 K CA -0.447 55.786 56.287 -0.090 0.000 0.891 539 K CB 0.752 33.206 32.500 -0.078 0.000 1.117 539 K HN 0.385 nan 8.250 nan 0.000 0.443 540 Y N 2.954 123.283 120.300 0.048 0.000 2.352 540 Y HA 0.256 4.807 4.550 0.001 0.000 0.326 540 Y C -1.863 173.978 175.900 -0.099 0.000 1.166 540 Y CA -2.505 55.599 58.100 0.006 0.000 1.182 540 Y CB 0.583 39.111 38.460 0.114 0.000 1.216 540 Y HN 0.492 nan 8.280 nan 0.000 0.474 541 P HA 0.160 nan 4.420 nan 0.000 0.272 541 P C -1.115 176.067 177.300 -0.197 0.000 1.230 541 P CA -0.200 62.636 63.100 -0.440 0.000 0.788 541 P CB 1.173 32.208 31.700 -1.108 0.000 0.949 542 L N 1.701 122.830 121.223 -0.156 0.000 2.436 542 L HA 0.515 4.856 4.340 0.001 0.000 0.268 542 L C -1.287 175.750 176.870 0.278 0.000 0.974 542 L CA -0.888 53.999 54.840 0.078 0.000 0.826 542 L CB 1.589 43.699 42.059 0.085 0.000 1.291 542 L HN 0.228 nan 8.230 nan 0.000 0.406 543 L N 5.382 126.789 121.223 0.308 0.000 2.313 543 L HA 0.454 4.794 4.340 0.001 0.000 0.283 543 L C -1.196 175.898 176.870 0.374 0.000 1.013 543 L CA -0.894 54.185 54.840 0.398 0.000 0.816 543 L CB 1.799 44.056 42.059 0.330 0.000 1.236 543 L HN 0.611 nan 8.230 nan 0.000 0.419 544 L N 5.173 126.663 121.223 0.445 0.000 2.261 544 L HA 0.300 4.641 4.340 0.001 0.000 0.289 544 L C -0.305 176.803 176.870 0.396 0.000 1.059 544 L CA 0.072 55.165 54.840 0.421 0.000 0.816 544 L CB 0.784 43.124 42.059 0.468 0.000 1.191 544 L HN 0.480 nan 8.230 nan 0.000 0.431 545 D N 4.374 124.985 120.400 0.352 0.000 2.313 545 D HA 0.255 4.895 4.640 0.001 0.000 0.239 545 D C -0.980 175.402 176.300 0.137 0.000 1.142 545 D CA 0.031 54.161 54.000 0.217 0.000 0.847 545 D CB 1.318 42.321 40.800 0.339 0.000 1.082 545 D HN 0.306 nan 8.370 nan 0.000 0.480 546 V N 5.473 125.400 119.914 0.022 0.000 2.769 546 V HA 0.464 4.585 4.120 0.001 0.000 0.312 546 V C -0.972 175.211 176.094 0.148 0.000 1.061 546 V CA -0.422 61.952 62.300 0.123 0.000 0.931 546 V CB 1.709 33.601 31.823 0.116 0.000 1.010 546 V HN 0.672 nan 8.190 nan 0.000 0.433 547 Y N 5.072 125.438 120.300 0.110 0.000 3.183 547 Y HA 0.580 5.131 4.550 0.001 0.000 0.200 547 Y C 1.529 177.556 175.900 0.212 0.000 0.912 547 Y CA 1.407 59.597 58.100 0.150 0.000 1.642 547 Y CB 0.178 38.709 38.460 0.120 0.000 1.447 547 Y HN 1.128 nan 8.280 nan 0.000 0.421 548 A N 0.680 123.600 122.820 0.166 0.000 3.021 548 A HA -0.142 4.179 4.320 0.001 0.000 0.257 548 A C 0.985 178.395 177.584 -0.290 0.000 1.277 548 A CA 0.859 52.929 52.037 0.055 0.000 1.012 548 A CB -2.537 16.554 19.000 0.150 0.000 1.147 548 A HN 1.009 nan 8.150 nan 0.000 0.861 549 G N -0.597 107.788 108.800 -0.693 0.000 2.636 549 G HA2 0.454 4.415 3.960 0.001 0.000 0.246 549 G HA3 0.454 4.415 3.960 0.001 0.000 0.246 549 G C -2.095 172.510 174.900 -0.492 0.000 1.216 549 G CA -0.480 43.880 45.100 -1.232 0.000 0.854 549 G HN 0.337 nan 8.290 nan 0.000 0.572 550 P HA 0.092 nan 4.420 nan 0.000 0.263 550 P C 0.623 177.794 177.300 -0.214 0.000 1.195 550 P CA -0.019 62.829 63.100 -0.421 0.000 0.762 550 P CB 0.750 31.872 31.700 -0.963 0.000 0.799 551 C N 2.225 121.456 119.300 -0.116 0.000 4.465 551 C HA -0.157 4.304 4.460 0.001 0.000 0.274 551 C C 1.075 176.104 174.990 0.065 0.000 1.337 551 C CA 1.241 60.164 59.018 -0.158 0.000 1.822 551 C CB -2.639 24.843 27.740 -0.430 0.000 1.357 551 C HN 0.807 nan 8.230 nan 0.000 0.753 552 S N 0.073 115.871 115.700 0.163 0.000 2.614 552 S HA 0.531 5.002 4.470 0.001 0.000 0.265 552 S C -0.579 174.198 174.600 0.295 0.000 1.303 552 S CA 0.209 58.590 58.200 0.302 0.000 1.000 552 S CB 1.575 65.008 63.200 0.388 0.000 0.935 552 S HN 0.800 nan 8.310 nan 0.000 0.551 553 Q N 0.027 120.015 119.800 0.315 0.000 2.309 553 Q HA 0.338 4.679 4.340 0.001 0.000 0.254 553 Q C -0.704 175.419 176.000 0.204 0.000 0.938 553 Q CA -0.608 55.361 55.803 0.277 0.000 0.789 553 Q CB 1.011 29.951 28.738 0.338 0.000 1.313 553 Q HN 0.692 nan 8.270 nan 0.000 0.438 554 K N 1.013 121.532 120.400 0.199 0.000 2.355 554 K HA 0.329 4.650 4.320 0.001 0.000 0.198 554 K C -0.338 176.366 176.600 0.174 0.000 1.039 554 K CA 0.284 56.679 56.287 0.180 0.000 1.075 554 K CB 1.461 34.092 32.500 0.218 0.000 0.870 554 K HN 0.498 nan 8.250 nan 0.000 0.540 555 A N 2.787 125.719 122.820 0.187 0.000 2.273 555 A HA 0.445 4.766 4.320 0.001 0.000 0.320 555 A C -0.773 176.881 177.584 0.117 0.000 1.358 555 A CA -0.495 51.656 52.037 0.189 0.000 0.910 555 A CB 0.196 19.368 19.000 0.287 0.000 1.159 555 A HN 0.253 nan 8.150 nan 0.000 0.526 556 D N -0.086 120.357 120.400 0.072 0.000 2.759 556 D HA 0.382 5.023 4.640 0.001 0.000 0.321 556 D C 0.260 176.568 176.300 0.013 0.000 1.267 556 D CA 0.282 54.307 54.000 0.043 0.000 0.933 556 D CB 0.245 41.066 40.800 0.035 0.000 1.431 556 D HN 0.183 nan 8.370 nan 0.000 0.504 557 T N -2.181 112.393 114.554 0.033 0.000 3.186 557 T HA 0.351 4.702 4.350 0.001 0.000 0.257 557 T C 0.392 175.054 174.700 -0.064 0.000 1.029 557 T CA -0.375 61.738 62.100 0.023 0.000 0.916 557 T CB -0.666 68.258 68.868 0.094 0.000 1.041 557 T HN 0.283 nan 8.240 nan 0.000 0.562 558 V N 2.439 122.219 119.914 -0.223 0.000 2.614 558 V HA 0.334 4.455 4.120 0.001 0.000 0.291 558 V C 0.053 176.091 176.094 -0.093 0.000 1.049 558 V CA -1.011 61.125 62.300 -0.273 0.000 1.038 558 V CB 0.262 31.817 31.823 -0.447 0.000 0.980 558 V HN 0.577 nan 8.190 nan 0.000 0.481 559 F N 6.255 126.111 119.950 -0.157 0.000 2.445 559 F HA 0.545 5.073 4.527 0.001 0.000 0.359 559 F C 0.527 176.272 175.800 -0.091 0.000 1.101 559 F CA -0.112 57.822 58.000 -0.111 0.000 1.177 559 F CB 0.226 39.168 39.000 -0.096 0.000 1.110 559 F HN 0.428 nan 8.300 nan 0.000 0.522 560 R N 5.588 125.712 120.500 -0.627 0.000 2.744 560 R HA 0.568 4.908 4.340 0.001 0.000 0.279 560 R C -1.912 174.052 176.300 -0.560 0.000 0.977 560 R CA -1.245 54.617 56.100 -0.397 0.000 0.906 560 R CB 1.939 32.116 30.300 -0.205 0.000 1.197 560 R HN 0.450 nan 8.270 nan 0.000 0.463 561 L N 4.126 125.198 121.223 -0.251 0.000 2.324 561 L HA 0.389 4.730 4.340 0.001 0.000 0.274 561 L C -0.724 176.170 176.870 0.040 0.000 1.012 561 L CA -0.477 54.255 54.840 -0.180 0.000 0.859 561 L CB 0.436 42.525 42.059 0.050 0.000 1.224 561 L HN 0.762 nan 8.230 nan 0.000 0.429 562 N N 0.644 119.295 118.700 -0.082 0.000 3.418 562 N HA 0.150 4.891 4.740 0.001 0.000 0.316 562 N C 0.440 175.652 175.510 -0.495 0.000 1.601 562 N CA -0.797 52.117 53.050 -0.227 0.000 0.805 562 N CB 0.001 38.452 38.487 -0.061 0.000 1.873 562 N HN 0.236 nan 8.380 nan 0.000 0.615 563 W N 0.747 121.472 121.300 -0.958 0.000 2.338 563 W HA 0.128 4.788 4.660 0.001 0.000 0.304 563 W C 2.089 178.551 176.519 -0.096 0.000 1.212 563 W CA 3.000 60.007 57.345 -0.564 0.000 1.264 563 W CB -1.022 28.232 29.460 -0.344 0.000 1.142 563 W HN 0.720 nan 8.180 nan 0.000 0.512 564 A N -0.446 122.326 122.820 -0.079 0.000 1.940 564 A HA -0.241 4.080 4.320 0.001 0.000 0.219 564 A C 1.946 179.413 177.584 -0.194 0.000 1.176 564 A CA 2.636 54.567 52.037 -0.176 0.000 0.631 564 A CB -1.335 17.645 19.000 -0.033 0.000 0.814 564 A HN 0.315 nan 8.150 nan 0.000 0.446 565 T N -1.189 113.269 114.554 -0.160 0.000 2.684 565 T HA -0.234 4.117 4.350 0.001 0.000 0.267 565 T C 1.812 176.517 174.700 0.008 0.000 1.036 565 T CA 1.824 63.806 62.100 -0.197 0.000 1.148 565 T CB -0.507 68.081 68.868 -0.467 0.000 0.863 565 T HN 0.697 nan 8.240 nan 0.000 0.436 566 Y N 1.986 122.351 120.300 0.108 0.000 2.181 566 Y HA -0.008 4.543 4.550 0.001 0.000 0.288 566 Y C 1.943 177.823 175.900 -0.033 0.000 1.146 566 Y CA 0.881 59.079 58.100 0.164 0.000 1.164 566 Y CB -0.747 37.813 38.460 0.166 0.000 0.982 566 Y HN 0.133 nan 8.280 nan 0.000 0.515 567 L N 0.124 120.881 121.223 -0.776 0.000 2.083 567 L HA -0.180 4.161 4.340 0.001 0.000 0.209 567 L C 2.813 179.428 176.870 -0.425 0.000 1.083 567 L CA 1.244 55.590 54.840 -0.824 0.000 0.752 567 L CB -0.951 40.664 42.059 -0.739 0.000 0.899 567 L HN 0.393 nan 8.230 nan 0.000 0.433 568 A N -1.151 121.500 122.820 -0.282 0.000 1.874 568 A HA -0.178 4.143 4.320 0.001 0.000 0.214 568 A C 2.523 180.039 177.584 -0.114 0.000 1.189 568 A CA 1.769 53.700 52.037 -0.176 0.000 0.615 568 A CB -0.647 18.248 19.000 -0.176 0.000 0.830 568 A HN 0.319 nan 8.150 nan 0.000 0.443 569 S N -1.311 114.340 115.700 -0.082 0.000 2.355 569 S HA -0.107 4.363 4.470 0.001 0.000 0.222 569 S C 1.987 176.610 174.600 0.037 0.000 1.031 569 S CA 2.221 60.423 58.200 0.004 0.000 0.993 569 S CB -0.364 62.890 63.200 0.090 0.000 0.859 569 S HN 0.567 nan 8.310 nan 0.000 0.453 570 T N 1.073 115.636 114.554 0.014 0.000 2.983 570 T HA 0.189 4.539 4.350 0.001 0.000 0.250 570 T C 1.338 176.032 174.700 -0.011 0.000 1.037 570 T CA 0.512 62.647 62.100 0.057 0.000 1.142 570 T CB -0.049 68.945 68.868 0.210 0.000 0.876 570 T HN 0.290 nan 8.240 nan 0.000 0.455 571 E N 1.234 121.342 120.200 -0.154 0.000 2.474 571 E HA 0.174 4.525 4.350 0.001 0.000 0.195 571 E C -0.016 176.577 176.600 -0.011 0.000 1.039 571 E CA -0.069 56.275 56.400 -0.093 0.000 0.881 571 E CB -0.265 29.319 29.700 -0.193 0.000 0.970 571 E HN 0.530 nan 8.360 nan 0.000 0.486 572 N N 0.691 119.393 118.700 0.003 0.000 2.740 572 N HA -0.191 4.550 4.740 0.001 0.000 0.248 572 N C -0.777 174.814 175.510 0.135 0.000 1.062 572 N CA 0.254 53.367 53.050 0.105 0.000 0.704 572 N CB -1.266 37.336 38.487 0.192 0.000 0.968 572 N HN 0.211 nan 8.380 nan 0.000 0.547 573 I N 0.847 121.430 120.570 0.022 0.000 2.392 573 I HA 0.335 4.506 4.170 0.001 0.000 0.295 573 I C 0.678 176.777 176.117 -0.030 0.000 0.985 573 I CA -0.856 60.464 61.300 0.033 0.000 1.221 573 I CB 1.241 39.270 38.000 0.047 0.000 1.366 573 I HN 0.033 nan 8.210 nan 0.000 0.467 574 I N 6.321 126.882 120.570 -0.014 0.000 2.416 574 I HA 0.134 4.304 4.170 0.001 0.000 0.288 574 I C -0.349 175.757 176.117 -0.020 0.000 1.051 574 I CA -0.356 60.897 61.300 -0.079 0.000 1.375 574 I CB 0.919 38.881 38.000 -0.063 0.000 1.407 574 I HN 0.205 nan 8.210 nan 0.000 0.516 575 V N 6.733 126.622 119.914 -0.043 0.000 2.328 575 V HA 0.616 4.737 4.120 0.001 0.000 0.278 575 V C 0.364 176.487 176.094 0.048 0.000 1.021 575 V CA -0.460 61.862 62.300 0.037 0.000 0.838 575 V CB 1.036 32.874 31.823 0.024 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.447 576 A N 4.031 126.913 122.820 0.103 0.000 2.337 576 A HA 0.953 5.273 4.320 0.001 0.000 0.331 576 A C -0.141 177.602 177.584 0.264 0.000 1.137 576 A CA -0.491 51.607 52.037 0.101 0.000 0.807 576 A CB 1.676 20.614 19.000 -0.104 0.000 1.250 576 A HN 0.698 nan 8.150 nan 0.000 0.468 577 S N -0.275 115.626 115.700 0.335 0.000 2.564 577 S HA 0.787 5.258 4.470 0.001 0.000 0.274 577 S C -1.528 173.421 174.600 0.582 0.000 1.124 577 S CA -0.320 58.123 58.200 0.405 0.000 0.869 577 S CB 1.424 64.802 63.200 0.296 0.000 1.105 577 S HN 0.831 nan 8.310 nan 0.000 0.472 578 F N 1.632 121.812 119.950 0.383 0.000 2.581 578 F HA 0.483 5.010 4.527 0.001 0.000 0.311 578 F C -1.785 174.215 175.800 0.334 0.000 1.113 578 F CA -0.781 57.469 58.000 0.417 0.000 0.935 578 F CB 1.590 40.808 39.000 0.363 0.000 1.232 578 F HN 0.408 nan 8.300 nan 0.000 0.445 579 D N 4.358 124.538 120.400 -0.367 0.000 2.460 579 D HA 0.437 5.078 4.640 0.001 0.000 0.232 579 D C 0.269 176.252 176.300 -0.529 0.000 1.079 579 D CA 0.077 53.941 54.000 -0.226 0.000 0.864 579 D CB 1.613 42.447 40.800 0.056 0.000 1.048 579 D HN 0.774 nan 8.370 nan 0.000 0.523 580 G N 1.282 109.853 108.800 -0.382 0.000 2.890 580 G HA2 0.325 4.285 3.960 0.001 0.000 0.189 580 G HA3 0.325 4.285 3.960 0.001 0.000 0.189 580 G C 0.082 174.962 174.900 -0.034 0.000 1.342 580 G CA -0.684 44.213 45.100 -0.338 0.000 1.026 580 G HN 0.268 nan 8.290 nan 0.000 0.579 581 R N -0.610 119.848 120.500 -0.071 0.000 2.590 581 R HA 0.388 4.728 4.340 0.001 0.000 0.274 581 R C 1.198 177.572 176.300 0.125 0.000 1.061 581 R CA 1.353 57.513 56.100 0.101 0.000 1.081 581 R CB 0.604 30.946 30.300 0.070 0.000 0.984 581 R HN 1.055 nan 8.270 nan 0.000 0.448 582 G N 1.093 109.971 108.800 0.129 0.000 2.241 582 G HA2 -0.330 3.630 3.960 0.001 0.000 0.244 582 G HA3 -0.330 3.630 3.960 0.001 0.000 0.244 582 G C 0.157 175.083 174.900 0.044 0.000 0.998 582 G CA 0.240 45.394 45.100 0.090 0.000 0.621 582 G HN 0.719 nan 8.290 nan 0.000 0.519 583 S N 0.332 116.071 115.700 0.065 0.000 2.614 583 S HA 0.670 5.140 4.470 0.001 0.000 0.265 583 S C 0.871 175.469 174.600 -0.003 0.000 1.303 583 S CA 0.419 58.654 58.200 0.059 0.000 1.000 583 S CB 1.771 65.034 63.200 0.106 0.000 0.935 583 S HN 1.649 nan 8.310 nan 0.000 0.551 584 G N -0.731 108.045 108.800 -0.040 0.000 2.522 584 G HA2 0.484 4.445 3.960 0.001 0.000 0.304 584 G HA3 0.484 4.445 3.960 0.001 0.000 0.304 584 G C -0.880 173.924 174.900 -0.160 0.000 1.210 584 G CA -0.942 43.966 45.100 -0.319 0.000 0.960 584 G HN 0.993 nan 8.290 nan 0.000 0.497 585 Y N -2.497 117.806 120.300 0.005 0.000 4.841 585 Y HA -0.215 4.335 4.550 0.001 0.000 0.242 585 Y C 1.411 177.322 175.900 0.018 0.000 1.002 585 Y CA 1.076 59.187 58.100 0.017 0.000 2.011 585 Y CB -2.094 36.392 38.460 0.044 0.000 1.554 585 Y HN 0.554 nan 8.280 nan 0.000 0.618 586 Q N 0.114 119.935 119.800 0.035 0.000 2.110 586 Q HA 0.516 4.857 4.340 0.001 0.000 0.232 586 Q C 0.921 176.820 176.000 -0.168 0.000 0.810 586 Q CA 0.224 56.056 55.803 0.048 0.000 1.083 586 Q CB 1.626 30.392 28.738 0.048 0.000 1.193 586 Q HN 0.574 nan 8.270 nan 0.000 0.471 587 G N 0.751 109.313 108.800 -0.398 0.000 2.690 587 G HA2 -0.187 3.773 3.960 0.001 0.000 0.686 587 G HA3 -0.187 3.773 3.960 0.001 0.000 0.686 587 G C -0.492 174.044 174.900 -0.606 0.000 1.277 587 G CA -0.534 44.049 45.100 -0.861 0.000 0.799 587 G HN 0.130 nan 8.290 nan 0.000 0.613 588 D N -0.063 119.939 120.400 -0.663 0.000 2.224 588 D HA -0.034 4.607 4.640 0.001 0.000 0.205 588 D C 2.215 178.249 176.300 -0.443 0.000 0.965 588 D CA 1.177 54.752 54.000 -0.707 0.000 0.852 588 D CB 0.020 40.358 40.800 -0.770 0.000 0.947 588 D HN 0.587 nan 8.370 nan 0.000 0.494 589 K N 0.505 120.705 120.400 -0.334 0.000 2.103 589 K HA -0.133 4.188 4.320 0.001 0.000 0.207 589 K C 1.990 178.529 176.600 -0.102 0.000 1.048 589 K CA 0.919 57.102 56.287 -0.174 0.000 0.930 589 K CB -0.036 32.379 32.500 -0.142 0.000 0.716 589 K HN 0.119 nan 8.250 nan 0.000 0.444 590 I N 0.229 120.724 120.570 -0.124 0.000 2.235 590 I HA -0.219 3.952 4.170 0.001 0.000 0.241 590 I C 2.627 178.740 176.117 -0.006 0.000 1.085 590 I CA 0.843 62.140 61.300 -0.004 0.000 1.378 590 I CB -0.100 37.911 38.000 0.019 0.000 1.076 590 I HN 0.268 nan 8.210 nan 0.000 0.415 591 M N 0.067 119.589 119.600 -0.131 0.000 2.132 591 M HA -0.225 4.256 4.480 0.001 0.000 0.263 591 M C 1.782 178.112 176.300 0.050 0.000 1.065 591 M CA 1.989 57.233 55.300 -0.093 0.000 1.122 591 M CB -0.289 32.157 32.600 -0.256 0.000 1.365 591 M HN 0.266 nan 8.290 nan 0.000 0.411 592 H N -0.671 118.310 119.070 -0.147 0.000 2.533 592 H HA 0.203 4.760 4.556 0.001 0.000 0.271 592 H C 1.782 177.133 175.328 0.038 0.000 1.000 592 H CA 0.049 56.018 56.048 -0.131 0.000 1.149 592 H CB 0.156 29.742 29.762 -0.293 0.000 1.375 592 H HN 0.518 nan 8.280 nan 0.000 0.582 593 A N 1.487 124.419 122.820 0.186 0.000 2.019 593 A HA -0.126 4.195 4.320 0.001 0.000 0.219 593 A C 2.025 179.806 177.584 0.327 0.000 1.164 593 A CA 1.014 53.191 52.037 0.233 0.000 0.644 593 A CB -0.613 18.504 19.000 0.195 0.000 0.805 593 A HN 0.583 nan 8.150 nan 0.000 0.449 594 I N -2.947 117.782 120.570 0.264 0.000 3.855 594 I HA 0.144 4.314 4.170 0.001 0.000 0.327 594 I C 0.376 176.565 176.117 0.120 0.000 1.359 594 I CA -0.436 60.962 61.300 0.162 0.000 1.142 594 I CB -0.641 37.427 38.000 0.114 0.000 1.041 594 I HN 0.202 nan 8.210 nan 0.000 0.403 595 N N 3.085 121.904 118.700 0.198 0.000 2.411 595 N HA -0.059 4.682 4.740 0.001 0.000 0.261 595 N C 0.151 175.680 175.510 0.031 0.000 1.248 595 N CA 0.270 53.435 53.050 0.191 0.000 0.885 595 N CB 0.341 38.911 38.487 0.138 0.000 1.062 595 N HN 0.419 nan 8.380 nan 0.000 0.471 596 R N 0.912 121.408 120.500 -0.006 0.000 3.951 596 R HA -0.144 4.197 4.340 0.001 0.000 0.352 596 R C -0.376 175.785 176.300 -0.231 0.000 1.178 596 R CA 0.686 56.736 56.100 -0.084 0.000 0.949 596 R CB -0.804 29.466 30.300 -0.049 0.000 1.452 596 R HN 0.640 nan 8.270 nan 0.000 0.540 597 R N 0.362 120.709 120.500 -0.256 0.000 2.583 597 R HA 0.252 4.593 4.340 0.001 0.000 0.329 597 R C -0.394 175.832 176.300 -0.124 0.000 1.166 597 R CA -0.256 55.552 56.100 -0.487 0.000 1.264 597 R CB 0.330 30.335 30.300 -0.490 0.000 1.324 597 R HN 0.093 nan 8.270 nan 0.000 0.684 598 L N -0.035 121.199 121.223 0.018 0.000 2.483 598 L HA 0.189 4.530 4.340 0.001 0.000 0.276 598 L C 1.347 178.446 176.870 0.382 0.000 1.213 598 L CA 0.968 55.875 54.840 0.111 0.000 0.843 598 L CB 0.441 42.370 42.059 -0.218 0.000 1.107 598 L HN 0.681 nan 8.230 nan 0.000 0.487 599 G N 1.084 110.134 108.800 0.416 0.000 2.160 599 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 599 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 599 G C 0.410 175.399 174.900 0.148 0.000 1.022 599 G CA 0.510 45.807 45.100 0.329 0.000 0.741 599 G HN 0.849 nan 8.290 nan 0.000 0.508 600 T N -3.743 110.855 114.554 0.073 0.000 3.257 600 T HA 0.465 4.816 4.350 0.001 0.000 0.176 600 T C 1.622 176.331 174.700 0.014 0.000 0.892 600 T CA 0.881 62.938 62.100 -0.071 0.000 1.147 600 T CB 0.011 68.651 68.868 -0.381 0.000 1.840 600 T HN 0.126 nan 8.240 nan 0.000 0.375 601 F N 3.396 123.381 119.950 0.059 0.000 2.216 601 F HA 0.123 4.650 4.527 0.001 0.000 0.300 601 F C 2.784 178.610 175.800 0.042 0.000 1.085 601 F CA 0.996 59.018 58.000 0.037 0.000 1.326 601 F CB -0.647 38.370 39.000 0.029 0.000 1.027 601 F HN 0.524 nan 8.300 nan 0.000 0.497 602 E N 0.680 121.025 120.200 0.243 0.000 2.152 602 E HA -0.108 4.242 4.350 0.001 0.000 0.192 602 E C 2.089 178.786 176.600 0.161 0.000 0.983 602 E CA 1.332 57.845 56.400 0.189 0.000 0.818 602 E CB -0.987 28.825 29.700 0.187 0.000 0.758 602 E HN 0.281 nan 8.360 nan 0.000 0.467 603 V N 1.876 121.865 119.914 0.126 0.000 2.283 603 V HA -0.219 3.902 4.120 0.001 0.000 0.243 603 V C 2.383 178.512 176.094 0.059 0.000 1.039 603 V CA 2.159 64.491 62.300 0.053 0.000 1.016 603 V CB -0.645 31.166 31.823 -0.020 0.000 0.650 603 V HN 0.217 nan 8.190 nan 0.000 0.449 604 E N 0.177 120.430 120.200 0.088 0.000 2.097 604 E HA -0.268 4.083 4.350 0.001 0.000 0.196 604 E C 1.916 178.548 176.600 0.053 0.000 1.000 604 E CA 1.630 58.079 56.400 0.081 0.000 0.804 604 E CB -0.225 29.559 29.700 0.140 0.000 0.740 604 E HN 0.578 nan 8.360 nan 0.000 0.454 605 D N 0.184 120.631 120.400 0.079 0.000 2.178 605 D HA -0.118 4.523 4.640 0.001 0.000 0.202 605 D C 1.982 178.316 176.300 0.057 0.000 0.974 605 D CA 0.714 54.750 54.000 0.059 0.000 0.841 605 D CB -0.074 40.785 40.800 0.098 0.000 0.953 605 D HN 0.104 nan 8.370 nan 0.000 0.478 606 Q N 0.066 119.939 119.800 0.121 0.000 2.119 606 Q HA -0.023 4.318 4.340 0.001 0.000 0.201 606 Q C 2.521 178.556 176.000 0.058 0.000 0.972 606 Q CA 0.491 56.364 55.803 0.117 0.000 0.847 606 Q CB -0.048 28.779 28.738 0.148 0.000 0.903 606 Q HN 0.424 nan 8.270 nan 0.000 0.433 607 I N 0.739 121.355 120.570 0.077 0.000 2.179 607 I HA -0.265 3.905 4.170 0.001 0.000 0.242 607 I C 2.434 178.511 176.117 -0.067 0.000 1.088 607 I CA 1.227 62.606 61.300 0.131 0.000 1.357 607 I CB -0.205 37.864 38.000 0.114 0.000 1.051 607 I HN 0.149 nan 8.210 nan 0.000 0.409 608 E N 1.552 121.665 120.200 -0.145 0.000 2.077 608 E HA -0.214 4.137 4.350 0.001 0.000 0.193 608 E C 2.106 178.422 176.600 -0.474 0.000 0.989 608 E CA 1.735 57.987 56.400 -0.247 0.000 0.800 608 E CB -0.219 29.361 29.700 -0.199 0.000 0.746 608 E HN 0.403 nan 8.360 nan 0.000 0.452 609 A N 1.013 123.394 122.820 -0.733 0.000 1.873 609 A HA -0.154 4.167 4.320 0.001 0.000 0.218 609 A C 2.515 179.326 177.584 -1.289 0.000 1.193 609 A CA 2.656 53.916 52.037 -1.295 0.000 0.629 609 A CB -1.320 16.697 19.000 -1.638 0.000 0.826 609 A HN 0.427 nan 8.150 nan 0.000 0.447 610 A N -0.782 121.647 122.820 -0.652 0.000 1.902 610 A HA -0.188 4.133 4.320 0.001 0.000 0.217 610 A C 2.265 179.629 177.584 -0.366 0.000 1.181 610 A CA 1.793 53.613 52.037 -0.362 0.000 0.623 610 A CB -0.525 18.378 19.000 -0.162 0.000 0.818 610 A HN 0.554 nan 8.150 nan 0.000 0.443 611 R N -0.596 119.693 120.500 -0.352 0.000 2.091 611 R HA -0.179 4.162 4.340 0.001 0.000 0.238 611 R C 2.433 178.570 176.300 -0.272 0.000 1.136 611 R CA 1.869 57.806 56.100 -0.272 0.000 0.959 611 R CB -0.259 29.911 30.300 -0.217 0.000 0.856 611 R HN 0.712 nan 8.270 nan 0.000 0.437 612 Q N -0.739 118.834 119.800 -0.379 0.000 2.046 612 Q HA -0.146 4.194 4.340 0.001 0.000 0.200 612 Q C 2.009 177.874 176.000 -0.225 0.000 0.975 612 Q CA 1.384 56.992 55.803 -0.324 0.000 0.836 612 Q CB -0.123 28.381 28.738 -0.389 0.000 0.896 612 Q HN 0.293 nan 8.270 nan 0.000 0.428 613 F N 1.076 120.859 119.950 -0.279 0.000 2.161 613 F HA -0.189 4.339 4.527 0.001 0.000 0.300 613 F C 2.655 178.287 175.800 -0.280 0.000 1.089 613 F CA 1.392 59.220 58.000 -0.287 0.000 1.282 613 F CB -1.297 37.563 39.000 -0.234 0.000 1.010 613 F HN 0.078 nan 8.300 nan 0.000 0.485 614 S N -0.618 115.037 115.700 -0.075 0.000 2.603 614 S HA -0.071 4.400 4.470 0.001 0.000 0.229 614 S C 1.369 175.883 174.600 -0.144 0.000 0.972 614 S CA 0.551 58.676 58.200 -0.124 0.000 0.935 614 S CB -0.520 62.588 63.200 -0.154 0.000 0.769 614 S HN 0.453 nan 8.310 nan 0.000 0.536 615 K N -0.252 120.058 120.400 -0.151 0.000 2.402 615 K HA 0.402 4.723 4.320 0.001 0.000 0.204 615 K C 1.180 177.681 176.600 -0.166 0.000 1.056 615 K CA -0.103 56.100 56.287 -0.140 0.000 1.069 615 K CB 0.139 32.569 32.500 -0.116 0.000 0.888 615 K HN 0.377 nan 8.250 nan 0.000 0.546 616 M N -0.609 118.834 119.600 -0.261 0.000 2.562 616 M HA 0.026 4.507 4.480 0.001 0.000 0.257 616 M C 1.185 177.268 176.300 -0.362 0.000 1.099 616 M CA 1.189 56.287 55.300 -0.336 0.000 1.099 616 M CB 0.515 32.806 32.600 -0.515 0.000 1.427 616 M HN 0.474 nan 8.290 nan 0.000 0.489 617 G N 0.462 109.061 108.800 -0.335 0.000 2.436 617 G HA2 -0.255 3.706 3.960 0.001 0.000 0.204 617 G HA3 -0.255 3.706 3.960 0.001 0.000 0.204 617 G C 0.425 175.289 174.900 -0.059 0.000 1.026 617 G CA 0.072 45.092 45.100 -0.134 0.000 0.658 617 G HN 0.498 nan 8.290 nan 0.000 0.499 618 F N 1.274 121.281 119.950 0.096 0.000 2.647 618 F HA 0.803 5.330 4.527 0.001 0.000 0.300 618 F C 0.002 175.921 175.800 0.198 0.000 1.106 618 F CA -1.310 56.786 58.000 0.161 0.000 1.313 618 F CB 0.202 39.372 39.000 0.283 0.000 1.007 618 F HN 0.097 nan 8.300 nan 0.000 0.536 619 V N 1.182 121.069 119.914 -0.045 0.000 2.555 619 V HA 0.254 4.375 4.120 0.001 0.000 0.302 619 V C -0.790 175.278 176.094 -0.044 0.000 1.038 619 V CA -0.775 61.526 62.300 0.001 0.000 0.887 619 V CB 1.779 33.538 31.823 -0.106 0.000 0.991 619 V HN 0.071 nan 8.190 nan 0.000 0.434 620 D N 3.539 123.912 120.400 -0.046 0.000 2.365 620 D HA 0.074 4.715 4.640 0.001 0.000 0.237 620 D C 1.143 177.384 176.300 -0.098 0.000 1.190 620 D CA -0.281 53.667 54.000 -0.087 0.000 0.867 620 D CB 0.816 41.543 40.800 -0.122 0.000 1.050 620 D HN 0.636 nan 8.370 nan 0.000 0.491 621 N N 3.849 122.494 118.700 -0.091 0.000 2.520 621 N HA -0.163 4.578 4.740 0.001 0.000 0.185 621 N C 0.707 176.167 175.510 -0.083 0.000 1.068 621 N CA 0.768 53.759 53.050 -0.098 0.000 0.911 621 N CB 0.044 38.471 38.487 -0.101 0.000 0.961 621 N HN 0.229 nan 8.380 nan 0.000 0.446 622 K N 0.169 120.527 120.400 -0.069 0.000 2.459 622 K HA 0.132 4.453 4.320 0.001 0.000 0.193 622 K C 0.116 176.703 176.600 -0.020 0.000 1.030 622 K CA 0.175 56.438 56.287 -0.040 0.000 1.026 622 K CB 0.543 33.023 32.500 -0.033 0.000 0.809 622 K HN 0.325 nan 8.250 nan 0.000 0.504 623 R N 0.757 121.213 120.500 -0.073 0.000 2.653 623 R HA 0.400 4.741 4.340 0.001 0.000 0.269 623 R C -0.773 175.457 176.300 -0.117 0.000 1.603 623 R CA -0.123 55.910 56.100 -0.111 0.000 1.671 623 R CB 0.565 30.625 30.300 -0.400 0.000 1.300 623 R HN -0.040 nan 8.270 nan 0.000 0.668 624 I N 0.961 121.593 120.570 0.103 0.000 2.465 624 I HA 0.622 4.792 4.170 0.001 0.000 0.291 624 I C -0.110 176.261 176.117 0.424 0.000 1.014 624 I CA -0.813 60.594 61.300 0.178 0.000 1.093 624 I CB 2.050 40.011 38.000 -0.065 0.000 1.267 624 I HN 0.307 nan 8.210 nan 0.000 0.431 625 A N 6.643 129.818 122.820 0.591 0.000 2.435 625 A HA 0.934 5.254 4.320 0.001 0.000 0.296 625 A C -1.295 176.650 177.584 0.602 0.000 1.147 625 A CA -0.642 51.745 52.037 0.582 0.000 0.775 625 A CB 2.119 21.370 19.000 0.418 0.000 1.340 625 A HN 0.721 nan 8.150 nan 0.000 0.427 626 I N 0.525 121.370 120.570 0.458 0.000 2.722 626 I HA 0.711 4.882 4.170 0.001 0.000 0.295 626 I C -1.894 174.481 176.117 0.431 0.000 1.161 626 I CA -0.478 61.026 61.300 0.340 0.000 1.032 626 I CB 1.626 39.578 38.000 -0.079 0.000 1.244 626 I HN 0.929 nan 8.210 nan 0.000 0.421 627 W N 7.091 128.526 121.300 0.225 0.000 3.137 627 W HA 0.857 5.518 4.660 0.001 0.000 0.324 627 W C -1.425 175.247 176.519 0.254 0.000 1.253 627 W CA -0.930 56.557 57.345 0.236 0.000 1.183 627 W CB 1.070 30.718 29.460 0.314 0.000 1.424 627 W HN 0.840 nan 8.180 nan 0.000 0.566 628 G N 0.744 109.467 108.800 -0.127 0.000 2.523 628 G HA2 0.469 4.430 3.960 0.001 0.000 0.291 628 G HA3 0.469 4.430 3.960 0.001 0.000 0.291 628 G C -2.850 172.002 174.900 -0.079 0.000 1.450 628 G CA -0.745 44.126 45.100 -0.382 0.000 0.790 628 G HN 0.613 nan 8.290 nan 0.000 0.496 629 W N 0.796 121.990 121.300 -0.177 0.000 2.785 629 W HA 0.611 5.272 4.660 0.001 0.000 0.333 629 W C 0.752 177.324 176.519 0.088 0.000 1.062 629 W CA 0.366 57.690 57.345 -0.036 0.000 1.233 629 W CB 1.862 31.301 29.460 -0.036 0.000 1.413 629 W HN 1.282 nan 8.180 nan 0.000 0.489 630 S N 2.660 118.604 115.700 0.408 0.000 4.141 630 S HA -0.424 4.046 4.470 0.001 0.000 0.622 630 S C 1.127 175.833 174.600 0.176 0.000 1.894 630 S CA 1.736 60.182 58.200 0.411 0.000 4.238 630 S CB -1.836 61.772 63.200 0.680 0.000 0.205 630 S HN 0.723 nan 8.310 nan 0.000 0.486 631 Y N 2.433 122.735 120.300 0.004 0.000 2.207 631 Y HA 0.006 4.557 4.550 0.001 0.000 0.287 631 Y C 2.387 178.201 175.900 -0.142 0.000 1.156 631 Y CA 2.640 60.631 58.100 -0.181 0.000 1.182 631 Y CB -1.019 37.125 38.460 -0.527 0.000 0.979 631 Y HN 0.529 nan 8.280 nan 0.000 0.521 632 G N -1.195 107.633 108.800 0.046 0.000 2.443 632 G HA2 -0.196 3.765 3.960 0.001 0.000 0.219 632 G HA3 -0.196 3.765 3.960 0.001 0.000 0.219 632 G C 1.901 176.838 174.900 0.061 0.000 1.131 632 G CA 0.706 45.859 45.100 0.088 0.000 0.775 632 G HN 0.572 nan 8.290 nan 0.000 0.547 633 G N -0.176 108.666 108.800 0.070 0.000 2.403 633 G HA2 -0.201 3.760 3.960 0.001 0.000 0.216 633 G HA3 -0.201 3.760 3.960 0.001 0.000 0.216 633 G C 1.564 176.487 174.900 0.039 0.000 1.154 633 G CA 1.008 46.134 45.100 0.044 0.000 0.784 633 G HN 0.403 nan 8.290 nan 0.000 0.538 634 Y N 1.504 121.707 120.300 -0.162 0.000 2.097 634 Y HA -0.166 4.384 4.550 0.001 0.000 0.282 634 Y C 2.799 178.604 175.900 -0.159 0.000 1.152 634 Y CA 1.796 59.749 58.100 -0.246 0.000 1.136 634 Y CB -0.549 37.611 38.460 -0.501 0.000 0.975 634 Y HN 0.026 nan 8.280 nan 0.000 0.498 635 V N -0.253 119.555 119.914 -0.178 0.000 2.287 635 V HA -0.353 3.768 4.120 0.001 0.000 0.248 635 V C 2.349 178.336 176.094 -0.177 0.000 1.053 635 V CA 2.457 64.639 62.300 -0.196 0.000 1.027 635 V CB -1.292 30.556 31.823 0.042 0.000 0.646 635 V HN 0.506 nan 8.190 nan 0.000 0.447 636 T N -0.077 114.425 114.554 -0.086 0.000 2.665 636 T HA -0.221 4.129 4.350 0.001 0.000 0.268 636 T C 2.134 176.772 174.700 -0.103 0.000 1.035 636 T CA 2.123 64.181 62.100 -0.070 0.000 1.151 636 T CB -0.277 68.628 68.868 0.061 0.000 0.862 636 T HN 0.537 nan 8.240 nan 0.000 0.438 637 S N 0.838 116.506 115.700 -0.054 0.000 2.368 637 S HA 0.006 4.477 4.470 0.001 0.000 0.224 637 S C 2.152 176.650 174.600 -0.169 0.000 1.029 637 S CA 0.868 59.055 58.200 -0.021 0.000 0.988 637 S CB -0.252 62.995 63.200 0.080 0.000 0.838 637 S HN 0.325 nan 8.310 nan 0.000 0.462 638 M N 1.056 120.473 119.600 -0.306 0.000 2.117 638 M HA -0.043 4.437 4.480 0.001 0.000 0.262 638 M C 2.222 178.347 176.300 -0.291 0.000 1.065 638 M CA 1.108 56.206 55.300 -0.336 0.000 1.114 638 M CB -1.502 30.799 32.600 -0.498 0.000 1.361 638 M HN 0.170 nan 8.290 nan 0.000 0.408 639 V N 0.738 120.473 119.914 -0.298 0.000 2.295 639 V HA -0.252 3.869 4.120 0.001 0.000 0.246 639 V C 2.533 178.405 176.094 -0.370 0.000 1.049 639 V CA 1.497 63.609 62.300 -0.314 0.000 1.024 639 V CB -0.672 30.897 31.823 -0.423 0.000 0.648 639 V HN 0.410 nan 8.190 nan 0.000 0.447 640 L N 0.361 121.301 121.223 -0.473 0.000 2.201 640 L HA -0.031 4.310 4.340 0.001 0.000 0.212 640 L C 2.295 178.598 176.870 -0.945 0.000 1.105 640 L CA 1.441 55.901 54.840 -0.634 0.000 0.775 640 L CB -0.781 40.863 42.059 -0.693 0.000 0.913 640 L HN 0.481 nan 8.230 nan 0.000 0.440 641 G N -1.105 107.142 108.800 -0.922 0.000 3.088 641 G HA2 -0.076 3.885 3.960 0.001 0.000 0.212 641 G HA3 -0.076 3.885 3.960 0.001 0.000 0.212 641 G C 1.550 176.277 174.900 -0.288 0.000 1.173 641 G CA 0.619 45.330 45.100 -0.649 0.000 0.779 641 G HN 0.453 nan 8.290 nan 0.000 0.540 642 S N -0.688 114.865 115.700 -0.245 0.000 2.470 642 S HA 0.288 4.759 4.470 0.001 0.000 0.225 642 S C 1.971 176.521 174.600 -0.084 0.000 1.006 642 S CA 1.046 59.170 58.200 -0.127 0.000 0.934 642 S CB -0.137 63.009 63.200 -0.089 0.000 0.778 642 S HN 1.361 nan 8.310 nan 0.000 0.517 643 G N 1.342 110.084 108.800 -0.097 0.000 2.143 643 G HA2 -0.337 3.624 3.960 0.001 0.000 0.248 643 G HA3 -0.337 3.624 3.960 0.001 0.000 0.248 643 G C 0.971 175.858 174.900 -0.021 0.000 0.991 643 G CA 0.970 46.039 45.100 -0.052 0.000 0.689 643 G HN 1.264 nan 8.290 nan 0.000 0.522 644 S N -0.614 115.085 115.700 -0.001 0.000 2.423 644 S HA 0.288 4.759 4.470 0.001 0.000 0.231 644 S C 2.582 177.189 174.600 0.011 0.000 1.014 644 S CA 1.720 59.933 58.200 0.021 0.000 0.965 644 S CB -0.295 62.950 63.200 0.075 0.000 0.785 644 S HN 2.418 nan 8.310 nan 0.000 0.495 645 G N 0.009 108.823 108.800 0.024 0.000 2.184 645 G HA2 -0.289 3.671 3.960 0.001 0.000 0.264 645 G HA3 -0.289 3.671 3.960 0.001 0.000 0.264 645 G C 0.761 175.645 174.900 -0.026 0.000 0.975 645 G CA 0.443 45.547 45.100 0.007 0.000 0.642 645 G HN 0.711 nan 8.290 nan 0.000 0.536 646 V N -0.635 119.243 119.914 -0.059 0.000 2.591 646 V HA 0.247 4.368 4.120 0.001 0.000 0.249 646 V C 1.153 176.993 176.094 -0.423 0.000 1.053 646 V CA 1.489 63.605 62.300 -0.307 0.000 1.068 646 V CB -0.347 31.155 31.823 -0.535 0.000 0.689 646 V HN 0.308 nan 8.190 nan 0.000 0.462 647 F N -0.074 119.888 119.950 0.021 0.000 2.436 647 F HA 0.411 4.938 4.527 0.001 0.000 0.340 647 F C 1.073 176.917 175.800 0.075 0.000 1.113 647 F CA -0.672 57.368 58.000 0.067 0.000 1.022 647 F CB 1.430 40.469 39.000 0.066 0.000 1.128 647 F HN -0.252 nan 8.300 nan 0.000 0.466 648 K N 1.779 122.330 120.400 0.252 0.000 2.103 648 K HA 0.044 4.364 4.320 0.001 0.000 0.204 648 K C -0.040 176.692 176.600 0.220 0.000 1.052 648 K CA 1.080 57.487 56.287 0.200 0.000 0.945 648 K CB 0.208 32.827 32.500 0.199 0.000 0.722 648 K HN 0.809 nan 8.250 nan 0.000 0.443 649 c N -3.156 115.615 118.600 0.284 0.000 3.321 649 c HA 0.888 5.459 4.570 0.001 0.000 0.329 649 c C -0.203 174.115 174.090 0.380 0.000 1.394 649 c CA -0.589 55.928 56.329 0.313 0.000 1.291 649 c CB 1.133 43.759 42.510 0.193 0.000 1.606 649 c HN 0.364 nan 8.230 nan 0.000 0.463 650 G N -0.123 108.965 108.800 0.479 0.000 2.623 650 G HA2 0.728 4.689 3.960 0.001 0.000 0.290 650 G HA3 0.728 4.689 3.960 0.001 0.000 0.290 650 G C -2.068 173.078 174.900 0.410 0.000 1.437 650 G CA -0.740 44.625 45.100 0.442 0.000 0.798 650 G HN 1.037 nan 8.290 nan 0.000 0.488 651 I N 0.639 121.416 120.570 0.345 0.000 2.447 651 I HA 0.596 4.767 4.170 0.001 0.000 0.287 651 I C 0.119 176.367 176.117 0.217 0.000 1.023 651 I CA -0.960 60.429 61.300 0.149 0.000 1.083 651 I CB 2.199 40.275 38.000 0.125 0.000 1.245 651 I HN 0.648 nan 8.210 nan 0.000 0.434 652 A N 6.654 129.496 122.820 0.037 0.000 2.273 652 A HA 0.764 5.085 4.320 0.001 0.000 0.315 652 A C -0.644 176.854 177.584 -0.144 0.000 1.256 652 A CA -0.497 51.556 52.037 0.027 0.000 0.851 652 A CB 0.962 20.032 19.000 0.116 0.000 1.172 652 A HN 0.450 nan 8.150 nan 0.000 0.508 653 V N 2.173 121.958 119.914 -0.214 0.000 2.398 653 V HA 0.562 4.683 4.120 0.001 0.000 0.286 653 V C 0.990 176.697 176.094 -0.645 0.000 1.026 653 V CA 0.222 62.173 62.300 -0.581 0.000 0.868 653 V CB 0.806 31.982 31.823 -1.079 0.000 0.982 653 V HN 2.004 nan 8.190 nan 0.000 0.443 654 A N 5.752 128.153 122.820 -0.699 0.000 2.364 654 A HA -0.110 4.211 4.320 0.001 0.000 0.288 654 A C -1.690 175.735 177.584 -0.266 0.000 1.433 654 A CA 0.294 51.833 52.037 -0.830 0.000 0.757 654 A CB -1.543 17.125 19.000 -0.555 0.000 1.098 654 A HN 0.635 nan 8.150 nan 0.000 0.380 655 P HA 0.355 nan 4.420 nan 0.000 0.275 655 P C 0.283 177.548 177.300 -0.059 0.000 1.228 655 P CA -0.091 62.983 63.100 -0.044 0.000 0.786 655 P CB 1.072 32.770 31.700 -0.003 0.000 0.927 656 V N 2.507 122.289 119.914 -0.220 0.000 2.715 656 V HA 0.055 4.176 4.120 0.001 0.000 0.299 656 V C 1.746 177.647 176.094 -0.322 0.000 1.054 656 V CA 1.149 63.171 62.300 -0.464 0.000 1.077 656 V CB 0.620 31.767 31.823 -1.127 0.000 0.972 656 V HN 0.851 nan 8.190 nan 0.000 0.484 657 S N 3.537 119.068 115.700 -0.281 0.000 2.593 657 S HA 0.280 4.751 4.470 0.001 0.000 0.235 657 S C 0.510 174.945 174.600 -0.276 0.000 1.059 657 S CA -0.356 57.760 58.200 -0.139 0.000 0.953 657 S CB 0.364 63.548 63.200 -0.026 0.000 0.897 657 S HN 0.737 nan 8.310 nan 0.000 0.507 658 R N -0.822 119.380 120.500 -0.497 0.000 2.522 658 R HA 0.285 4.626 4.340 0.001 0.000 0.273 658 R C -1.053 174.914 176.300 -0.556 0.000 1.133 658 R CA -0.632 55.123 56.100 -0.575 0.000 0.969 658 R CB 0.313 30.157 30.300 -0.759 0.000 1.235 658 R HN 0.257 nan 8.270 nan 0.000 0.433 659 W N 2.161 123.365 121.300 -0.159 0.000 2.374 659 W HA -0.055 4.606 4.660 0.001 0.000 0.288 659 W C 1.392 178.031 176.519 0.200 0.000 1.218 659 W CA 0.800 58.140 57.345 -0.009 0.000 1.245 659 W CB 0.305 29.674 29.460 -0.151 0.000 1.126 659 W HN 0.707 nan 8.180 nan 0.000 0.545 660 E N -0.819 119.561 120.200 0.300 0.000 2.331 660 E HA -0.220 4.131 4.350 0.001 0.000 0.199 660 E C 1.288 178.028 176.600 0.233 0.000 1.008 660 E CA 0.918 57.426 56.400 0.179 0.000 0.843 660 E CB -0.246 29.457 29.700 0.005 0.000 0.761 660 E HN 0.391 nan 8.360 nan 0.000 0.507 661 Y N -1.702 118.684 120.300 0.143 0.000 2.523 661 Y HA 0.070 4.621 4.550 0.001 0.000 0.279 661 Y C 0.666 176.659 175.900 0.154 0.000 1.139 661 Y CA -0.266 57.891 58.100 0.095 0.000 1.296 661 Y CB -0.399 38.065 38.460 0.007 0.000 1.045 661 Y HN 0.010 nan 8.280 nan 0.000 0.538 662 Y N 1.804 122.251 120.300 0.245 0.000 2.458 662 Y HA 0.314 4.865 4.550 0.001 0.000 0.322 662 Y C 0.204 176.304 175.900 0.333 0.000 1.259 662 Y CA -2.169 56.081 58.100 0.250 0.000 1.302 662 Y CB 0.455 39.081 38.460 0.276 0.000 1.314 662 Y HN 0.171 nan 8.280 nan 0.000 0.509 663 D N -0.614 119.488 120.400 -0.498 0.000 2.362 663 D HA 0.128 4.769 4.640 0.001 0.000 0.242 663 D C 0.938 177.207 176.300 -0.051 0.000 1.132 663 D CA 0.277 54.066 54.000 -0.353 0.000 0.907 663 D CB 1.014 41.389 40.800 -0.708 0.000 1.195 663 D HN 0.484 nan 8.370 nan 0.000 0.429 664 S N 1.165 116.848 115.700 -0.029 0.000 2.353 664 S HA -0.235 4.236 4.470 0.001 0.000 0.222 664 S C 1.901 176.524 174.600 0.039 0.000 1.035 664 S CA 1.243 59.479 58.200 0.059 0.000 1.025 664 S CB -1.036 62.205 63.200 0.068 0.000 0.902 664 S HN 0.432 nan 8.310 nan 0.000 0.440 665 V N 0.861 120.738 119.914 -0.061 0.000 2.287 665 V HA -0.172 3.949 4.120 0.001 0.000 0.248 665 V C 2.331 178.347 176.094 -0.130 0.000 1.053 665 V CA 2.257 64.437 62.300 -0.199 0.000 1.027 665 V CB -1.120 30.431 31.823 -0.453 0.000 0.646 665 V HN 0.612 nan 8.190 nan 0.000 0.447 666 Y N 1.327 121.568 120.300 -0.097 0.000 2.153 666 Y HA -0.212 4.339 4.550 0.001 0.000 0.289 666 Y C 2.715 178.622 175.900 0.010 0.000 1.127 666 Y CA 2.269 60.388 58.100 0.031 0.000 1.131 666 Y CB -0.630 38.039 38.460 0.348 0.000 0.995 666 Y HN 0.225 nan 8.280 nan 0.000 0.505 667 T N 0.418 115.205 114.554 0.388 0.000 2.652 667 T HA -0.220 4.130 4.350 0.001 0.000 0.267 667 T C 1.557 176.233 174.700 -0.039 0.000 1.039 667 T CA 2.026 64.274 62.100 0.246 0.000 1.153 667 T CB -0.369 68.776 68.868 0.462 0.000 0.863 667 T HN 0.431 nan 8.240 nan 0.000 0.428 668 E N 0.483 120.689 120.200 0.011 0.000 2.265 668 E HA -0.080 4.270 4.350 0.001 0.000 0.196 668 E C 2.326 178.806 176.600 -0.200 0.000 0.996 668 E CA 0.348 56.742 56.400 -0.010 0.000 0.832 668 E CB -0.116 29.625 29.700 0.069 0.000 0.756 668 E HN 0.326 nan 8.360 nan 0.000 0.491 669 R N 0.083 120.304 120.500 -0.465 0.000 2.091 669 R HA -0.199 4.142 4.340 0.001 0.000 0.238 669 R C 1.245 176.994 176.300 -0.919 0.000 1.136 669 R CA 1.613 57.237 56.100 -0.794 0.000 0.959 669 R CB -0.002 29.490 30.300 -1.346 0.000 0.856 669 R HN 0.256 nan 8.270 nan 0.000 0.437 670 Y N -2.035 117.941 120.300 -0.541 0.000 2.524 670 Y HA 0.186 4.736 4.550 0.001 0.000 0.270 670 Y C 1.835 177.544 175.900 -0.318 0.000 1.094 670 Y CA 0.175 57.946 58.100 -0.548 0.000 1.276 670 Y CB 0.342 38.356 38.460 -0.743 0.000 1.130 670 Y HN -0.049 nan 8.280 nan 0.000 0.536 671 M N -0.538 118.952 119.600 -0.184 0.000 2.308 671 M HA 0.346 4.826 4.480 0.001 0.000 0.269 671 M C 1.162 177.477 176.300 0.024 0.000 1.040 671 M CA 0.763 55.952 55.300 -0.185 0.000 1.024 671 M CB -0.355 31.938 32.600 -0.512 0.000 1.465 671 M HN 0.355 nan 8.290 nan 0.000 0.517 672 G N 1.991 110.817 108.800 0.044 0.000 2.575 672 G HA2 -0.238 3.722 3.960 0.001 0.000 0.267 672 G HA3 -0.238 3.722 3.960 0.001 0.000 0.267 672 G C -0.711 174.328 174.900 0.232 0.000 1.264 672 G CA -0.620 44.548 45.100 0.114 0.000 0.935 672 G HN 0.275 nan 8.290 nan 0.000 0.568 673 L N 2.507 123.837 121.223 0.178 0.000 2.325 673 L HA 0.581 4.922 4.340 0.001 0.000 0.278 673 L C -1.592 175.269 176.870 -0.015 0.000 1.023 673 L CA -1.927 52.964 54.840 0.085 0.000 0.811 673 L CB 1.676 43.752 42.059 0.029 0.000 1.249 673 L HN 0.412 nan 8.230 nan 0.000 0.431 674 P HA 0.142 nan 4.420 nan 0.000 0.220 674 P C -0.780 176.383 177.300 -0.229 0.000 1.806 674 P CA -0.196 62.547 63.100 -0.595 0.000 0.976 674 P CB -0.405 30.631 31.700 -1.107 0.000 1.952 675 T N -2.523 111.977 114.554 -0.091 0.000 2.908 675 T HA 0.476 4.826 4.350 0.001 0.000 0.290 675 T C -2.230 172.467 174.700 -0.005 0.000 1.034 675 T CA -2.568 59.507 62.100 -0.043 0.000 1.010 675 T CB 1.782 70.634 68.868 -0.026 0.000 1.068 675 T HN -0.286 nan 8.240 nan 0.000 0.481 676 P HA -0.111 nan 4.420 nan 0.000 0.216 676 P C 0.910 178.223 177.300 0.021 0.000 1.150 676 P CA 1.188 64.296 63.100 0.014 0.000 0.843 676 P CB 0.028 31.733 31.700 0.008 0.000 0.787 677 E N -1.477 118.732 120.200 0.014 0.000 2.347 677 E HA -0.096 4.255 4.350 0.001 0.000 0.196 677 E C 1.396 178.011 176.600 0.025 0.000 1.008 677 E CA 0.833 57.243 56.400 0.016 0.000 0.852 677 E CB -0.381 29.323 29.700 0.008 0.000 0.783 677 E HN 0.333 nan 8.360 nan 0.000 0.505 678 D N -0.304 120.117 120.400 0.035 0.000 2.931 678 D HA 0.088 4.728 4.640 0.001 0.000 0.241 678 D C 0.303 176.654 176.300 0.085 0.000 1.494 678 D CA 0.155 54.187 54.000 0.053 0.000 1.260 678 D CB -0.039 40.794 40.800 0.054 0.000 0.953 678 D HN 0.010 nan 8.370 nan 0.000 0.240 679 N N -0.124 118.658 118.700 0.137 0.000 2.305 679 N HA 0.045 4.785 4.740 0.001 0.000 0.248 679 N C 1.156 176.850 175.510 0.308 0.000 1.290 679 N CA -0.101 53.078 53.050 0.215 0.000 0.873 679 N CB 0.878 39.518 38.487 0.255 0.000 1.261 679 N HN 0.005 nan 8.380 nan 0.000 0.504 680 L N 1.267 122.594 121.223 0.174 0.000 2.043 680 L HA -0.155 4.186 4.340 0.001 0.000 0.212 680 L C 1.458 178.431 176.870 0.172 0.000 1.075 680 L CA 1.990 56.909 54.840 0.132 0.000 0.752 680 L CB -0.396 41.678 42.059 0.024 0.000 0.891 680 L HN 0.145 nan 8.230 nan 0.000 0.432 681 D N -1.558 118.927 120.400 0.141 0.000 2.123 681 D HA -0.250 4.391 4.640 0.001 0.000 0.196 681 D C 2.064 178.453 176.300 0.148 0.000 0.992 681 D CA 1.716 55.788 54.000 0.120 0.000 0.833 681 D CB -0.123 40.737 40.800 0.101 0.000 0.954 681 D HN 0.579 nan 8.370 nan 0.000 0.455 682 H N -1.048 118.088 119.070 0.109 0.000 2.436 682 H HA -0.023 4.533 4.556 0.001 0.000 0.294 682 H C 1.637 177.033 175.328 0.114 0.000 1.048 682 H CA 1.051 57.146 56.048 0.077 0.000 1.353 682 H CB -0.225 29.547 29.762 0.016 0.000 1.414 682 H HN 0.146 nan 8.280 nan 0.000 0.536 683 Y N 0.187 120.490 120.300 0.005 0.000 2.193 683 Y HA -0.205 4.346 4.550 0.001 0.000 0.285 683 Y C 2.303 178.167 175.900 -0.061 0.000 1.166 683 Y CA 1.400 59.501 58.100 0.003 0.000 1.181 683 Y CB 0.147 38.637 38.460 0.050 0.000 0.976 683 Y HN 0.146 nan 8.280 nan 0.000 0.520 684 R N -0.359 120.201 120.500 0.101 0.000 2.161 684 R HA -0.009 4.332 4.340 0.001 0.000 0.213 684 R C 1.342 177.627 176.300 -0.024 0.000 1.055 684 R CA 0.791 56.909 56.100 0.030 0.000 0.996 684 R CB -0.727 29.595 30.300 0.037 0.000 0.901 684 R HN 0.530 nan 8.270 nan 0.000 0.456 685 N N 0.602 119.261 118.700 -0.068 0.000 2.463 685 N HA -0.066 4.675 4.740 0.001 0.000 0.181 685 N C 0.446 175.877 175.510 -0.132 0.000 1.078 685 N CA 0.653 53.653 53.050 -0.083 0.000 0.902 685 N CB 0.243 38.704 38.487 -0.044 0.000 0.970 685 N HN 0.099 nan 8.380 nan 0.000 0.451 686 S N -0.225 115.356 115.700 -0.199 0.000 2.561 686 S HA 0.068 4.539 4.470 0.001 0.000 0.245 686 S C 0.457 175.090 174.600 0.055 0.000 1.001 686 S CA -0.803 57.340 58.200 -0.095 0.000 1.002 686 S CB -0.177 62.904 63.200 -0.197 0.000 0.805 686 S HN 0.110 nan 8.310 nan 0.000 0.458 687 T N -1.594 112.953 114.554 -0.011 0.000 2.922 687 T HA 0.518 4.869 4.350 0.001 0.000 0.285 687 T C 1.354 176.045 174.700 -0.015 0.000 1.005 687 T CA -0.637 61.451 62.100 -0.020 0.000 1.061 687 T CB 1.332 70.155 68.868 -0.076 0.000 1.007 687 T HN -0.045 nan 8.240 nan 0.000 0.502 688 V N 1.719 121.624 119.914 -0.016 0.000 2.358 688 V HA -0.142 3.978 4.120 0.001 0.000 0.246 688 V C 2.634 178.708 176.094 -0.034 0.000 1.047 688 V CA 1.723 64.005 62.300 -0.030 0.000 1.035 688 V CB -0.974 30.829 31.823 -0.033 0.000 0.658 688 V HN 0.816 nan 8.190 nan 0.000 0.452 689 M N 1.182 120.748 119.600 -0.057 0.000 2.149 689 M HA -0.148 4.332 4.480 0.001 0.000 0.261 689 M C 2.341 178.619 176.300 -0.038 0.000 1.064 689 M CA 2.061 57.322 55.300 -0.066 0.000 1.102 689 M CB -0.947 31.623 32.600 -0.050 0.000 1.369 689 M HN 0.535 nan 8.290 nan 0.000 0.408 690 S N -0.259 115.427 115.700 -0.023 0.000 2.469 690 S HA -0.095 4.376 4.470 0.001 0.000 0.238 690 S C 1.780 176.385 174.600 0.008 0.000 0.998 690 S CA 0.786 58.981 58.200 -0.009 0.000 0.957 690 S CB -0.460 62.733 63.200 -0.012 0.000 0.764 690 S HN 0.540 nan 8.310 nan 0.000 0.514 691 R N 0.372 120.890 120.500 0.030 0.000 2.393 691 R HA 0.455 4.795 4.340 0.001 0.000 0.244 691 R C 2.199 178.604 176.300 0.176 0.000 0.920 691 R CA 0.419 56.562 56.100 0.072 0.000 1.076 691 R CB -0.210 30.125 30.300 0.057 0.000 1.119 691 R HN 0.464 nan 8.270 nan 0.000 0.524 692 A N 1.696 124.573 122.820 0.096 0.000 1.903 692 A HA -0.303 4.018 4.320 0.001 0.000 0.219 692 A C 2.035 179.707 177.584 0.147 0.000 1.191 692 A CA 2.014 54.075 52.037 0.040 0.000 0.638 692 A CB -0.311 18.641 19.000 -0.081 0.000 0.823 692 A HN 0.313 nan 8.150 nan 0.000 0.451 693 E N 0.301 120.558 120.200 0.095 0.000 2.160 693 E HA -0.183 4.168 4.350 0.001 0.000 0.195 693 E C 1.586 178.247 176.600 0.103 0.000 0.991 693 E CA 1.708 58.158 56.400 0.083 0.000 0.810 693 E CB -0.443 29.287 29.700 0.049 0.000 0.742 693 E HN 0.799 nan 8.360 nan 0.000 0.466 694 N N -1.097 117.661 118.700 0.098 0.000 2.550 694 N HA -0.068 4.673 4.740 0.001 0.000 0.186 694 N C 0.429 175.928 175.510 -0.018 0.000 1.110 694 N CA 0.099 53.157 53.050 0.015 0.000 0.912 694 N CB -0.041 38.406 38.487 -0.067 0.000 0.968 694 N HN 0.148 nan 8.380 nan 0.000 0.448 695 F N 1.288 121.196 119.950 -0.069 0.000 2.802 695 F HA 0.084 4.611 4.527 0.001 0.000 0.300 695 F C 1.848 177.652 175.800 0.007 0.000 1.168 695 F CA 0.480 58.437 58.000 -0.072 0.000 1.433 695 F CB 0.045 38.957 39.000 -0.147 0.000 1.115 695 F HN -0.083 nan 8.300 nan 0.000 0.582 696 K N -0.111 120.386 120.400 0.162 0.000 2.209 696 K HA -0.143 4.177 4.320 0.001 0.000 0.204 696 K C 1.360 178.023 176.600 0.106 0.000 1.048 696 K CA 0.999 57.364 56.287 0.130 0.000 0.940 696 K CB -0.119 32.436 32.500 0.093 0.000 0.729 696 K HN 0.382 nan 8.250 nan 0.000 0.451 697 Q N 0.632 120.477 119.800 0.076 0.000 2.204 697 Q HA 0.062 4.403 4.340 0.001 0.000 0.209 697 Q C -0.282 175.766 176.000 0.079 0.000 0.861 697 Q CA -0.151 55.692 55.803 0.066 0.000 0.971 697 Q CB 0.951 29.712 28.738 0.040 0.000 1.095 697 Q HN 0.091 nan 8.270 nan 0.000 0.486 698 V N -3.068 116.910 119.914 0.107 0.000 3.074 698 V HA 0.526 4.647 4.120 0.001 0.000 0.314 698 V C -0.950 175.286 176.094 0.237 0.000 1.117 698 V CA -1.179 61.208 62.300 0.144 0.000 1.014 698 V CB 2.252 34.125 31.823 0.083 0.000 1.057 698 V HN 0.028 nan 8.190 nan 0.000 0.438 699 E N 1.858 122.227 120.200 0.281 0.000 2.156 699 E HA 0.489 4.840 4.350 0.001 0.000 0.279 699 E C -1.816 175.149 176.600 0.608 0.000 0.965 699 E CA -0.383 56.255 56.400 0.397 0.000 0.789 699 E CB 1.881 31.755 29.700 0.291 0.000 1.098 699 E HN 0.710 nan 8.360 nan 0.000 0.397 700 Y N 3.062 123.615 120.300 0.421 0.000 2.425 700 Y HA 0.466 5.017 4.550 0.001 0.000 0.344 700 Y C -1.749 174.219 175.900 0.114 0.000 0.969 700 Y CA -1.555 56.728 58.100 0.305 0.000 1.052 700 Y CB 1.203 39.863 38.460 0.333 0.000 1.215 700 Y HN 0.454 nan 8.280 nan 0.000 0.451 701 L N 7.525 128.470 121.223 -0.464 0.000 2.325 701 L HA 0.625 4.965 4.340 0.001 0.000 0.281 701 L C -2.175 174.250 176.870 -0.741 0.000 1.004 701 L CA -0.776 53.652 54.840 -0.687 0.000 0.823 701 L CB 1.359 42.702 42.059 -1.194 0.000 1.236 701 L HN 0.648 nan 8.230 nan 0.000 0.415 702 L N 6.701 127.570 121.223 -0.590 0.000 2.305 702 L HA 0.690 5.030 4.340 0.001 0.000 0.284 702 L C -1.132 175.614 176.870 -0.207 0.000 1.013 702 L CA -0.014 54.531 54.840 -0.491 0.000 0.819 702 L CB 1.090 42.874 42.059 -0.458 0.000 1.227 702 L HN 0.583 nan 8.230 nan 0.000 0.417 703 I N 4.784 125.244 120.570 -0.183 0.000 2.545 703 I HA 0.481 4.652 4.170 0.001 0.000 0.292 703 I C -1.078 175.014 176.117 -0.042 0.000 1.040 703 I CA -0.759 60.490 61.300 -0.084 0.000 1.068 703 I CB 1.908 39.822 38.000 -0.144 0.000 1.251 703 I HN 0.551 nan 8.210 nan 0.000 0.424 704 H N 2.832 121.947 119.070 0.075 0.000 3.086 704 H HA 0.393 4.950 4.556 0.001 0.000 0.353 704 H C -0.740 174.822 175.328 0.389 0.000 1.134 704 H CA -0.516 55.621 56.048 0.148 0.000 1.248 704 H CB 2.503 32.266 29.762 0.002 0.000 1.878 704 H HN 0.778 nan 8.280 nan 0.000 0.527 705 G N 0.917 110.069 108.800 0.586 0.000 2.415 705 G HA2 0.237 4.198 3.960 0.001 0.000 0.269 705 G HA3 0.237 4.198 3.960 0.001 0.000 0.269 705 G C 1.109 176.308 174.900 0.497 0.000 1.209 705 G CA 0.199 45.608 45.100 0.514 0.000 0.835 705 G HN 0.646 nan 8.290 nan 0.000 0.534 706 T N -0.923 113.788 114.554 0.263 0.000 2.995 706 T HA 0.094 4.445 4.350 0.001 0.000 0.269 706 T C 1.699 176.401 174.700 0.004 0.000 1.091 706 T CA 1.267 63.350 62.100 -0.029 0.000 1.128 706 T CB 0.154 68.930 68.868 -0.154 0.000 0.891 706 T HN 0.693 nan 8.240 nan 0.000 0.492 707 A N 1.078 123.965 122.820 0.112 0.000 2.684 707 A HA 0.311 4.632 4.320 0.001 0.000 0.288 707 A C 0.404 177.950 177.584 -0.062 0.000 1.337 707 A CA -0.506 51.556 52.037 0.042 0.000 0.946 707 A CB -0.342 18.942 19.000 0.474 0.000 1.093 707 A HN 0.360 nan 8.150 nan 0.000 0.543 708 D N 1.684 122.086 120.400 0.004 0.000 2.349 708 D HA -0.024 4.617 4.640 0.001 0.000 0.266 708 D C 0.482 176.747 176.300 -0.058 0.000 1.293 708 D CA 0.165 54.256 54.000 0.152 0.000 0.926 708 D CB 0.597 41.646 40.800 0.415 0.000 1.090 708 D HN 0.577 nan 8.370 nan 0.000 0.502 709 D N 2.299 122.711 120.400 0.020 0.000 2.347 709 D HA -0.151 4.489 4.640 0.001 0.000 0.215 709 D C 0.928 177.214 176.300 -0.023 0.000 0.976 709 D CA 0.042 54.010 54.000 -0.054 0.000 0.884 709 D CB 0.452 41.192 40.800 -0.099 0.000 0.915 709 D HN 0.227 nan 8.370 nan 0.000 0.526 710 N N 0.745 119.514 118.700 0.115 0.000 2.426 710 N HA -0.049 4.692 4.740 0.001 0.000 0.205 710 N C -0.104 175.350 175.510 -0.092 0.000 1.040 710 N CA 0.445 53.582 53.050 0.145 0.000 0.990 710 N CB 0.361 38.956 38.487 0.180 0.000 1.215 710 N HN -0.112 nan 8.380 nan 0.000 0.491 711 V N 2.981 122.850 119.914 -0.075 0.000 2.320 711 V HA 0.221 4.342 4.120 0.001 0.000 0.265 711 V C -0.408 175.757 176.094 0.119 0.000 1.048 711 V CA -0.426 61.880 62.300 0.010 0.000 0.865 711 V CB -0.313 31.555 31.823 0.075 0.000 1.043 711 V HN 0.293 nan 8.190 nan 0.000 0.474 712 H N 3.161 122.222 119.070 -0.016 0.000 2.790 712 H HA 0.033 4.589 4.556 0.001 0.000 0.358 712 H C 0.783 175.965 175.328 -0.245 0.000 1.103 712 H CA -0.167 55.785 56.048 -0.159 0.000 1.426 712 H CB 0.920 30.508 29.762 -0.290 0.000 1.424 712 H HN 0.637 nan 8.280 nan 0.000 0.599 713 F N 1.928 121.672 119.950 -0.344 0.000 2.154 713 F HA -0.318 4.210 4.527 0.001 0.000 0.301 713 F C 2.635 178.159 175.800 -0.460 0.000 1.087 713 F CA 1.815 59.405 58.000 -0.683 0.000 1.274 713 F CB -0.165 38.619 39.000 -0.360 0.000 1.009 713 F HN 0.668 nan 8.300 nan 0.000 0.485 714 Q N 0.124 119.811 119.800 -0.189 0.000 2.182 714 Q HA -0.348 3.993 4.340 0.001 0.000 0.213 714 Q C 2.076 177.859 176.000 -0.361 0.000 1.000 714 Q CA 2.467 58.104 55.803 -0.276 0.000 0.889 714 Q CB -0.353 28.184 28.738 -0.335 0.000 0.932 714 Q HN 0.615 nan 8.270 nan 0.000 0.415 715 Q N -0.584 119.038 119.800 -0.296 0.000 2.079 715 Q HA -0.095 4.246 4.340 0.001 0.000 0.200 715 Q C 2.277 178.191 176.000 -0.142 0.000 0.974 715 Q CA 1.594 57.340 55.803 -0.095 0.000 0.840 715 Q CB -0.014 28.744 28.738 0.033 0.000 0.898 715 Q HN 0.334 nan 8.270 nan 0.000 0.430 716 S N 0.843 116.357 115.700 -0.310 0.000 2.406 716 S HA -0.047 4.423 4.470 0.001 0.000 0.228 716 S C 2.056 176.430 174.600 -0.376 0.000 1.020 716 S CA 0.773 58.782 58.200 -0.318 0.000 0.965 716 S CB -0.123 62.860 63.200 -0.361 0.000 0.798 716 S HN 0.462 nan 8.310 nan 0.000 0.488 717 A N 1.384 123.900 122.820 -0.506 0.000 1.940 717 A HA -0.153 4.168 4.320 0.001 0.000 0.219 717 A C 2.119 179.621 177.584 -0.136 0.000 1.176 717 A CA 1.211 53.090 52.037 -0.264 0.000 0.631 717 A CB -0.403 18.504 19.000 -0.155 0.000 0.814 717 A HN 0.389 nan 8.150 nan 0.000 0.446 718 Q N -0.616 119.108 119.800 -0.126 0.000 2.187 718 Q HA 0.035 4.376 4.340 0.001 0.000 0.199 718 Q C 2.120 178.077 176.000 -0.070 0.000 0.957 718 Q CA 0.843 56.619 55.803 -0.044 0.000 0.857 718 Q CB -0.255 28.525 28.738 0.070 0.000 0.929 718 Q HN 0.783 nan 8.270 nan 0.000 0.453 719 I N 1.266 121.767 120.570 -0.115 0.000 2.142 719 I HA -0.297 3.874 4.170 0.001 0.000 0.240 719 I C 2.583 178.542 176.117 -0.263 0.000 1.078 719 I CA 1.557 62.742 61.300 -0.191 0.000 1.343 719 I CB -0.508 37.383 38.000 -0.183 0.000 1.046 719 I HN 0.185 nan 8.210 nan 0.000 0.405 720 S N 0.965 116.536 115.700 -0.215 0.000 2.370 720 S HA -0.294 4.177 4.470 0.001 0.000 0.226 720 S C 2.031 176.616 174.600 -0.026 0.000 1.033 720 S CA 1.592 59.703 58.200 -0.148 0.000 1.011 720 S CB -0.502 62.770 63.200 0.120 0.000 0.852 720 S HN 0.384 nan 8.310 nan 0.000 0.457 721 K N 1.709 122.095 120.400 -0.023 0.000 2.097 721 K HA 0.032 4.353 4.320 0.001 0.000 0.206 721 K C 2.264 178.853 176.600 -0.019 0.000 1.049 721 K CA 1.130 57.419 56.287 0.003 0.000 0.933 721 K CB -0.655 31.843 32.500 -0.004 0.000 0.717 721 K HN 0.460 nan 8.250 nan 0.000 0.442 722 A N 0.945 123.723 122.820 -0.070 0.000 1.898 722 A HA -0.086 4.234 4.320 0.001 0.000 0.216 722 A C 2.071 179.596 177.584 -0.097 0.000 1.181 722 A CA 1.216 53.203 52.037 -0.082 0.000 0.620 722 A CB -0.537 18.396 19.000 -0.111 0.000 0.819 722 A HN 0.304 nan 8.150 nan 0.000 0.442 723 L N -0.614 120.504 121.223 -0.175 0.000 2.056 723 L HA -0.138 4.203 4.340 0.001 0.000 0.207 723 L C 2.518 179.425 176.870 0.060 0.000 1.078 723 L CA 0.939 55.692 54.840 -0.144 0.000 0.749 723 L CB -0.653 41.161 42.059 -0.409 0.000 0.901 723 L HN 0.224 nan 8.230 nan 0.000 0.433 724 V N -0.025 119.967 119.914 0.131 0.000 2.282 724 V HA -0.328 3.793 4.120 0.001 0.000 0.249 724 V C 2.026 178.162 176.094 0.070 0.000 1.057 724 V CA 2.042 64.425 62.300 0.137 0.000 1.032 724 V CB -0.558 31.340 31.823 0.126 0.000 0.645 724 V HN 0.444 nan 8.190 nan 0.000 0.447 725 D N -0.784 119.639 120.400 0.038 0.000 2.263 725 D HA -0.094 4.547 4.640 0.001 0.000 0.208 725 D C 1.686 178.001 176.300 0.026 0.000 0.971 725 D CA 0.934 54.949 54.000 0.025 0.000 0.867 725 D CB 0.109 40.916 40.800 0.012 0.000 0.929 725 D HN 0.367 nan 8.370 nan 0.000 0.492 726 V N -0.756 119.175 119.914 0.028 0.000 3.578 726 V HA 0.268 4.388 4.120 0.001 0.000 0.290 726 V C 0.979 177.103 176.094 0.050 0.000 1.376 726 V CA 0.755 63.074 62.300 0.032 0.000 1.083 726 V CB 0.149 31.985 31.823 0.022 0.000 0.911 726 V HN 0.328 nan 8.190 nan 0.000 0.433 727 G N 0.900 109.738 108.800 0.062 0.000 2.225 727 G HA2 -0.186 3.775 3.960 0.001 0.000 0.264 727 G HA3 -0.186 3.775 3.960 0.001 0.000 0.264 727 G C -0.053 174.905 174.900 0.097 0.000 1.060 727 G CA 0.369 45.512 45.100 0.073 0.000 0.833 727 G HN 0.540 nan 8.290 nan 0.000 0.498 728 V N 0.421 120.413 119.914 0.131 0.000 2.398 728 V HA 0.480 4.601 4.120 0.001 0.000 0.286 728 V C 0.325 176.588 176.094 0.281 0.000 1.026 728 V CA -0.639 61.767 62.300 0.177 0.000 0.868 728 V CB 1.792 33.709 31.823 0.156 0.000 0.982 728 V HN 0.426 nan 8.190 nan 0.000 0.443 729 D N 3.942 124.481 120.400 0.233 0.000 2.304 729 D HA 0.595 5.236 4.640 0.001 0.000 0.247 729 D C -0.569 175.943 176.300 0.353 0.000 1.089 729 D CA 0.221 54.339 54.000 0.197 0.000 0.910 729 D CB 0.824 41.684 40.800 0.100 0.000 1.199 729 D HN 0.346 nan 8.370 nan 0.000 0.426 730 F N -0.295 119.724 119.950 0.115 0.000 2.831 730 F HA 0.510 5.038 4.527 0.001 0.000 0.318 730 F C -1.568 174.282 175.800 0.083 0.000 1.174 730 F CA -1.105 56.983 58.000 0.147 0.000 0.918 730 F CB 0.748 39.866 39.000 0.196 0.000 1.364 730 F HN 0.076 nan 8.300 nan 0.000 0.475 731 Q N 1.245 121.132 119.800 0.145 0.000 2.345 731 Q HA 0.848 5.188 4.340 0.001 0.000 0.268 731 Q C -1.014 175.003 176.000 0.029 0.000 1.054 731 Q CA -0.903 54.894 55.803 -0.011 0.000 0.835 731 Q CB 2.250 30.998 28.738 0.018 0.000 1.339 731 Q HN 1.094 nan 8.270 nan 0.000 0.447 732 A N 1.444 124.255 122.820 -0.014 0.000 2.556 732 A HA 0.858 5.178 4.320 0.001 0.000 0.294 732 A C -1.407 176.150 177.584 -0.044 0.000 1.091 732 A CA -0.573 51.482 52.037 0.029 0.000 0.704 732 A CB 2.001 21.086 19.000 0.143 0.000 1.300 732 A HN 0.624 nan 8.150 nan 0.000 0.406 733 M N 1.357 120.912 119.600 -0.076 0.000 2.284 733 M HA 0.587 5.068 4.480 0.001 0.000 0.281 733 M C -1.862 174.344 176.300 -0.157 0.000 1.083 733 M CA -0.508 54.613 55.300 -0.299 0.000 0.965 733 M CB 1.123 33.433 32.600 -0.482 0.000 1.717 733 M HN 0.957 nan 8.290 nan 0.000 0.479 734 W N 4.244 125.413 121.300 -0.218 0.000 2.448 734 W HA 0.762 5.423 4.660 0.001 0.000 0.339 734 W C -1.970 174.305 176.519 -0.408 0.000 1.124 734 W CA -0.718 56.569 57.345 -0.097 0.000 1.262 734 W CB 0.351 29.804 29.460 -0.011 0.000 1.251 734 W HN 0.607 nan 8.180 nan 0.000 0.597 735 Y N 2.476 122.912 120.300 0.227 0.000 2.376 735 Y HA 0.281 4.832 4.550 0.001 0.000 0.326 735 Y C 0.774 176.788 175.900 0.192 0.000 0.970 735 Y CA -1.136 57.015 58.100 0.085 0.000 1.248 735 Y CB 1.410 39.897 38.460 0.046 0.000 1.117 735 Y HN 0.627 nan 8.280 nan 0.000 0.476 736 T N 1.359 116.075 114.554 0.270 0.000 2.888 736 T HA 0.123 4.474 4.350 0.001 0.000 0.301 736 T C 0.439 175.222 174.700 0.138 0.000 1.001 736 T CA 0.225 62.446 62.100 0.201 0.000 1.147 736 T CB 0.207 69.130 68.868 0.091 0.000 0.931 736 T HN 0.787 nan 8.240 nan 0.000 0.541 737 D N 0.867 121.329 120.400 0.104 0.000 3.028 737 D HA -0.112 4.529 4.640 0.001 0.000 0.207 737 D C -0.064 176.369 176.300 0.222 0.000 1.100 737 D CA 1.135 55.137 54.000 0.003 0.000 0.995 737 D CB -0.686 39.929 40.800 -0.309 0.000 1.108 737 D HN 0.723 nan 8.370 nan 0.000 0.421 738 E N 1.033 121.384 120.200 0.252 0.000 2.343 738 E HA 0.323 4.673 4.350 0.001 0.000 0.269 738 E C 0.802 177.593 176.600 0.318 0.000 1.047 738 E CA -0.188 56.380 56.400 0.281 0.000 0.874 738 E CB 1.133 30.988 29.700 0.258 0.000 1.033 738 E HN 0.372 nan 8.360 nan 0.000 0.409 739 D N -0.289 120.310 120.400 0.332 0.000 2.541 739 D HA -0.005 4.636 4.640 0.001 0.000 0.276 739 D C 1.066 177.611 176.300 0.408 0.000 1.190 739 D CA -0.161 54.059 54.000 0.367 0.000 1.095 739 D CB -0.205 40.834 40.800 0.397 0.000 1.173 739 D HN 0.405 nan 8.370 nan 0.000 0.604 740 H N -1.604 117.661 119.070 0.325 0.000 2.456 740 H HA 0.124 4.681 4.556 0.001 0.000 0.296 740 H C 1.889 177.482 175.328 0.442 0.000 1.079 740 H CA 2.077 58.344 56.048 0.364 0.000 1.322 740 H CB -0.370 29.587 29.762 0.326 0.000 1.388 740 H HN 0.488 nan 8.280 nan 0.000 0.538 741 G N -0.233 108.756 108.800 0.316 0.000 2.712 741 G HA2 0.012 3.973 3.960 0.001 0.000 0.212 741 G HA3 0.012 3.973 3.960 0.001 0.000 0.212 741 G C 0.572 175.663 174.900 0.317 0.000 1.142 741 G CA 0.255 45.461 45.100 0.178 0.000 0.789 741 G HN 0.514 nan 8.290 nan 0.000 0.535 742 I N 0.034 120.820 120.570 0.359 0.000 5.071 742 I HA -0.327 3.843 4.170 0.001 0.000 0.126 742 I C 1.401 177.657 176.117 0.232 0.000 1.290 742 I CA 0.228 61.685 61.300 0.262 0.000 2.644 742 I CB -1.213 36.908 38.000 0.202 0.000 2.208 742 I HN 0.268 nan 8.210 nan 0.000 0.322 743 A N 1.646 124.576 122.820 0.183 0.000 2.469 743 A HA 0.277 4.597 4.320 0.001 0.000 0.245 743 A C 1.115 178.756 177.584 0.095 0.000 1.221 743 A CA 0.552 52.666 52.037 0.128 0.000 0.946 743 A CB 0.272 19.320 19.000 0.079 0.000 1.049 743 A HN 0.660 nan 8.150 nan 0.000 0.529 744 S N 0.011 115.781 115.700 0.116 0.000 2.563 744 S HA 0.105 4.576 4.470 0.001 0.000 0.284 744 S C 1.241 175.900 174.600 0.098 0.000 1.331 744 S CA 0.466 58.725 58.200 0.099 0.000 1.047 744 S CB 0.962 64.227 63.200 0.110 0.000 0.859 744 S HN 0.590 nan 8.310 nan 0.000 0.514 745 S N 2.539 118.282 115.700 0.071 0.000 2.368 745 S HA -0.201 4.270 4.470 0.001 0.000 0.226 745 S C 2.087 176.750 174.600 0.105 0.000 1.044 745 S CA 2.391 60.634 58.200 0.073 0.000 1.062 745 S CB -1.604 61.621 63.200 0.040 0.000 0.931 745 S HN 1.072 nan 8.310 nan 0.000 0.440 746 T N -0.229 114.377 114.554 0.086 0.000 2.777 746 T HA 0.187 4.538 4.350 0.001 0.000 0.266 746 T C 1.998 176.758 174.700 0.100 0.000 1.040 746 T CA 1.285 63.437 62.100 0.087 0.000 1.141 746 T CB -0.932 67.976 68.868 0.066 0.000 0.868 746 T HN 0.476 nan 8.240 nan 0.000 0.444 747 A N 1.400 124.264 122.820 0.074 0.000 1.930 747 A HA -0.074 4.247 4.320 0.001 0.000 0.217 747 A C 2.181 179.731 177.584 -0.055 0.000 1.175 747 A CA 1.958 53.980 52.037 -0.026 0.000 0.627 747 A CB -1.218 17.739 19.000 -0.071 0.000 0.815 747 A HN 0.742 nan 8.150 nan 0.000 0.443 748 H N -0.062 119.004 119.070 -0.008 0.000 2.290 748 H HA -0.166 4.391 4.556 0.001 0.000 0.298 748 H C 2.129 177.533 175.328 0.127 0.000 1.087 748 H CA 2.417 58.515 56.048 0.083 0.000 1.291 748 H CB -0.227 29.586 29.762 0.085 0.000 1.369 748 H HN 0.574 nan 8.280 nan 0.000 0.492 749 Q N -1.030 118.783 119.800 0.023 0.000 2.124 749 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 749 Q C 2.235 178.230 176.000 -0.007 0.000 0.977 749 Q CA 1.430 57.214 55.803 -0.030 0.000 0.850 749 Q CB -0.208 28.551 28.738 0.034 0.000 0.901 749 Q HN 0.655 nan 8.270 nan 0.000 0.429 750 H N 0.583 119.629 119.070 -0.040 0.000 2.357 750 H HA -0.057 4.499 4.556 0.001 0.000 0.301 750 H C 2.053 177.374 175.328 -0.011 0.000 1.082 750 H CA 1.235 57.291 56.048 0.012 0.000 1.342 750 H CB 0.021 29.845 29.762 0.103 0.000 1.389 750 H HN 0.276 nan 8.280 nan 0.000 0.511 751 I N 0.131 120.662 120.570 -0.065 0.000 2.179 751 I HA -0.324 3.846 4.170 0.001 0.000 0.242 751 I C 1.787 177.663 176.117 -0.401 0.000 1.088 751 I CA 1.278 62.436 61.300 -0.237 0.000 1.357 751 I CB -0.253 37.423 38.000 -0.539 0.000 1.051 751 I HN 0.131 nan 8.210 nan 0.000 0.409 752 Y N 0.868 120.953 120.300 -0.358 0.000 2.314 752 Y HA -0.183 4.368 4.550 0.001 0.000 0.293 752 Y C 2.703 178.405 175.900 -0.331 0.000 1.129 752 Y CA 1.752 59.536 58.100 -0.527 0.000 1.201 752 Y CB -0.858 37.296 38.460 -0.509 0.000 0.999 752 Y HN 0.154 nan 8.280 nan 0.000 0.541 753 T N -1.578 112.901 114.554 -0.125 0.000 2.746 753 T HA -0.238 4.113 4.350 0.001 0.000 0.267 753 T C 1.563 176.143 174.700 -0.201 0.000 1.039 753 T CA 1.944 63.930 62.100 -0.190 0.000 1.142 753 T CB -0.436 68.323 68.868 -0.182 0.000 0.866 753 T HN 0.414 nan 8.240 nan 0.000 0.444 754 H N 0.818 119.762 119.070 -0.210 0.000 2.326 754 H HA 0.137 4.694 4.556 0.001 0.000 0.301 754 H C 2.203 177.517 175.328 -0.023 0.000 1.081 754 H CA 1.497 57.496 56.048 -0.081 0.000 1.334 754 H CB -0.251 29.453 29.762 -0.097 0.000 1.385 754 H HN 0.236 nan 8.280 nan 0.000 0.504 755 M N -0.719 118.832 119.600 -0.082 0.000 2.159 755 M HA -0.172 4.309 4.480 0.001 0.000 0.263 755 M C 2.386 178.797 176.300 0.185 0.000 1.063 755 M CA 1.546 56.794 55.300 -0.087 0.000 1.110 755 M CB -0.039 32.265 32.600 -0.494 0.000 1.374 755 M HN 0.217 nan 8.290 nan 0.000 0.411 756 S N -0.667 115.160 115.700 0.213 0.000 2.356 756 S HA -0.151 4.319 4.470 0.001 0.000 0.223 756 S C 1.694 176.401 174.600 0.178 0.000 1.032 756 S CA 1.009 59.424 58.200 0.359 0.000 1.005 756 S CB -0.579 62.829 63.200 0.347 0.000 0.867 756 S HN 0.462 nan 8.310 nan 0.000 0.449 757 H N -0.058 119.079 119.070 0.110 0.000 2.352 757 H HA -0.051 4.505 4.556 0.001 0.000 0.299 757 H C 1.956 177.291 175.328 0.013 0.000 1.097 757 H CA 1.313 57.381 56.048 0.034 0.000 1.311 757 H CB -0.707 29.032 29.762 -0.038 0.000 1.377 757 H HN 0.452 nan 8.280 nan 0.000 0.504 758 F N 1.217 121.164 119.950 -0.005 0.000 2.075 758 F HA -0.168 4.359 4.527 0.001 0.000 0.297 758 F C 2.327 178.081 175.800 -0.077 0.000 1.113 758 F CA 0.922 58.881 58.000 -0.068 0.000 1.218 758 F CB -0.322 38.610 39.000 -0.114 0.000 0.984 758 F HN -0.047 nan 8.300 nan 0.000 0.472 759 I N 0.686 121.239 120.570 -0.027 0.000 2.226 759 I HA -0.280 3.891 4.170 0.001 0.000 0.245 759 I C 2.223 178.115 176.117 -0.375 0.000 1.100 759 I CA 1.515 62.627 61.300 -0.314 0.000 1.374 759 I CB -1.244 36.666 38.000 -0.151 0.000 1.057 759 I HN 0.247 nan 8.210 nan 0.000 0.413 760 K N 0.382 120.719 120.400 -0.105 0.000 2.057 760 K HA -0.220 4.101 4.320 0.001 0.000 0.207 760 K C 2.116 178.698 176.600 -0.031 0.000 1.049 760 K CA 1.246 57.530 56.287 -0.005 0.000 0.931 760 K CB -0.288 32.266 32.500 0.090 0.000 0.714 760 K HN 0.394 nan 8.250 nan 0.000 0.440 761 Q N 1.400 121.146 119.800 -0.091 0.000 2.030 761 Q HA -0.255 4.085 4.340 0.001 0.000 0.204 761 Q C 2.326 178.230 176.000 -0.158 0.000 0.986 761 Q CA 2.025 57.759 55.803 -0.115 0.000 0.843 761 Q CB -0.780 27.871 28.738 -0.145 0.000 0.904 761 Q HN 0.415 nan 8.270 nan 0.000 0.420 762 c N 0.274 118.670 118.600 -0.340 0.000 2.401 762 c HA -0.146 4.424 4.570 0.001 0.000 0.276 762 c C 2.228 176.341 174.090 0.038 0.000 1.233 762 c CA 0.733 56.887 56.329 -0.293 0.000 1.753 762 c CB -1.398 40.763 42.510 -0.582 0.000 2.029 762 c HN 0.632 nan 8.230 nan 0.000 0.478 763 F N 1.482 121.391 119.950 -0.068 0.000 2.732 763 F HA 0.244 4.772 4.527 0.001 0.000 0.303 763 F C 1.612 177.398 175.800 -0.024 0.000 1.110 763 F CA 0.394 58.376 58.000 -0.030 0.000 1.355 763 F CB -1.204 37.787 39.000 -0.015 0.000 1.081 763 F HN 0.220 nan 8.300 nan 0.000 0.565 764 S N 0.916 116.698 115.700 0.137 0.000 3.682 764 S HA -0.206 4.265 4.470 0.001 0.000 0.354 764 S C -0.012 174.634 174.600 0.076 0.000 1.034 764 S CA 0.141 58.385 58.200 0.073 0.000 1.084 764 S CB -2.170 61.061 63.200 0.053 0.000 0.903 764 S HN 0.242 nan 8.310 nan 0.000 0.470 765 L N 1.834 123.114 121.223 0.095 0.000 2.295 765 L HA 0.561 4.901 4.340 0.001 0.000 0.285 765 L C -1.244 175.671 176.870 0.074 0.000 1.035 765 L CA -1.833 53.061 54.840 0.089 0.000 0.806 765 L CB 0.820 42.951 42.059 0.120 0.000 1.214 765 L HN 0.072 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.139 63.100 0.065 0.000 0.800 766 P CB 0.000 31.729 31.700 0.048 0.000 0.726