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 1j2e_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 0.000 176.328 176.300 0.046 0.000 2.045 38 D CA 0.000 54.010 54.000 0.016 0.000 0.868 38 D CB 0.000 40.854 40.800 0.091 0.000 0.688 39 S N 2.509 118.238 115.700 0.048 0.000 2.556 39 S HA 0.230 4.699 4.470 -0.002 0.000 0.216 39 S C 0.913 175.551 174.600 0.063 0.000 0.970 39 S CA -0.356 57.873 58.200 0.049 0.000 0.912 39 S CB 0.181 63.402 63.200 0.035 0.000 0.790 39 S HN 0.351 nan 8.310 nan 0.000 0.504 40 R N 2.717 123.262 120.500 0.075 0.000 2.679 40 R HA 0.156 4.495 4.340 -0.002 0.000 0.268 40 R C 0.533 176.886 176.300 0.087 0.000 1.044 40 R CA 0.010 56.156 56.100 0.077 0.000 1.105 40 R CB 0.430 30.776 30.300 0.077 0.000 0.989 40 R HN 0.551 nan 8.270 nan 0.000 0.447 41 K N 0.338 120.792 120.400 0.090 0.000 2.230 41 K HA 0.085 4.404 4.320 -0.002 0.000 0.253 41 K C -0.083 176.588 176.600 0.118 0.000 1.008 41 K CA -0.335 56.014 56.287 0.103 0.000 0.910 41 K CB 0.471 33.039 32.500 0.115 0.000 0.994 41 K HN 0.635 nan 8.250 nan 0.000 0.495 42 T N -2.017 112.618 114.554 0.135 0.000 2.948 42 T HA 0.174 4.523 4.350 -0.002 0.000 0.285 42 T C -0.781 174.054 174.700 0.225 0.000 1.019 42 T CA -0.851 61.347 62.100 0.163 0.000 1.013 42 T CB 0.652 69.614 68.868 0.156 0.000 1.117 42 T HN 0.538 nan 8.240 nan 0.000 0.533 43 Y N 2.674 123.056 120.300 0.136 0.000 2.531 43 Y HA 0.384 4.933 4.550 -0.002 0.000 0.347 43 Y C 0.864 176.918 175.900 0.257 0.000 1.024 43 Y CA -0.194 58.030 58.100 0.206 0.000 1.306 43 Y CB -0.074 38.475 38.460 0.150 0.000 1.149 43 Y HN 1.015 nan 8.280 nan 0.000 0.527 44 T N 2.619 117.186 114.554 0.021 0.000 2.897 44 T HA 0.180 4.529 4.350 -0.002 0.000 0.278 44 T C 0.891 175.523 174.700 -0.113 0.000 0.981 44 T CA -0.781 61.367 62.100 0.080 0.000 0.973 44 T CB 1.299 70.175 68.868 0.013 0.000 1.092 44 T HN 0.674 nan 8.240 nan 0.000 0.543 45 L N 0.898 121.902 121.223 -0.365 0.000 2.046 45 L HA 0.008 4.347 4.340 -0.002 0.000 0.208 45 L C 2.634 179.389 176.870 -0.192 0.000 1.077 45 L CA 2.152 56.685 54.840 -0.512 0.000 0.747 45 L CB -1.441 40.186 42.059 -0.720 0.000 0.896 45 L HN 0.948 nan 8.230 nan 0.000 0.432 46 T N -0.672 113.778 114.554 -0.174 0.000 2.833 46 T HA -0.150 4.199 4.350 -0.002 0.000 0.269 46 T C 1.472 176.070 174.700 -0.170 0.000 1.054 46 T CA 1.324 63.340 62.100 -0.139 0.000 1.135 46 T CB -0.336 68.466 68.868 -0.110 0.000 0.869 46 T HN 0.386 nan 8.240 nan 0.000 0.466 47 D N 0.113 120.371 120.400 -0.236 0.000 2.097 47 D HA -0.082 4.557 4.640 -0.002 0.000 0.195 47 D C 1.704 177.848 176.300 -0.261 0.000 0.989 47 D CA 1.023 54.798 54.000 -0.375 0.000 0.827 47 D CB -0.325 40.068 40.800 -0.679 0.000 0.966 47 D HN 0.438 nan 8.370 nan 0.000 0.456 48 Y N 1.225 121.372 120.300 -0.255 0.000 2.184 48 Y HA -0.042 4.507 4.550 -0.002 0.000 0.290 48 Y C 2.118 178.039 175.900 0.035 0.000 1.129 48 Y CA 1.164 59.309 58.100 0.075 0.000 1.144 48 Y CB -0.495 38.108 38.460 0.238 0.000 0.995 48 Y HN -0.095 nan 8.280 nan 0.000 0.513 49 L N 0.009 121.074 121.223 -0.264 0.000 2.141 49 L HA -0.137 4.202 4.340 -0.002 0.000 0.209 49 L C 1.800 178.559 176.870 -0.185 0.000 1.094 49 L CA 1.161 55.819 54.840 -0.303 0.000 0.763 49 L CB -0.367 41.588 42.059 -0.173 0.000 0.908 49 L HN 0.068 nan 8.230 nan 0.000 0.437 50 K N -0.093 120.215 120.400 -0.154 0.000 2.374 50 K HA 0.120 4.439 4.320 -0.002 0.000 0.196 50 K C 0.150 176.680 176.600 -0.115 0.000 1.023 50 K CA -0.034 56.180 56.287 -0.121 0.000 1.103 50 K CB 0.050 32.479 32.500 -0.118 0.000 0.848 50 K HN 0.246 nan 8.250 nan 0.000 0.528 51 N N 0.790 119.424 118.700 -0.111 0.000 2.754 51 N HA -0.162 4.577 4.740 -0.002 0.000 0.248 51 N C 0.502 175.959 175.510 -0.088 0.000 1.093 51 N CA 1.019 54.035 53.050 -0.056 0.000 0.699 51 N CB -1.783 36.677 38.487 -0.045 0.000 1.016 51 N HN 0.132 nan 8.380 nan 0.000 0.552 52 T N -0.801 113.631 114.554 -0.205 0.000 2.684 52 T HA -0.175 4.174 4.350 -0.002 0.000 0.267 52 T C 0.612 175.056 174.700 -0.427 0.000 1.036 52 T CA 1.369 63.224 62.100 -0.408 0.000 1.148 52 T CB -0.141 68.300 68.868 -0.711 0.000 0.863 52 T HN 0.415 nan 8.240 nan 0.000 0.436 53 Y N 1.511 121.874 120.300 0.105 0.000 2.491 53 Y HA 0.468 5.017 4.550 -0.002 0.000 0.334 53 Y C 0.440 176.442 175.900 0.171 0.000 0.969 53 Y CA -1.091 57.105 58.100 0.161 0.000 1.241 53 Y CB 0.550 39.165 38.460 0.259 0.000 1.105 53 Y HN -0.080 nan 8.280 nan 0.000 0.503 54 R N 3.420 124.058 120.500 0.231 0.000 2.428 54 R HA 0.527 4.866 4.340 -0.002 0.000 0.294 54 R C -1.172 175.236 176.300 0.180 0.000 1.000 54 R CA -0.619 55.587 56.100 0.177 0.000 0.960 54 R CB 0.771 31.133 30.300 0.103 0.000 1.076 54 R HN 0.710 nan 8.270 nan 0.000 0.475 55 L N 5.270 126.601 121.223 0.179 0.000 2.278 55 L HA 0.258 4.596 4.340 -0.002 0.000 0.287 55 L C 0.356 177.316 176.870 0.150 0.000 1.072 55 L CA -0.459 54.485 54.840 0.174 0.000 0.819 55 L CB 0.895 43.075 42.059 0.202 0.000 1.176 55 L HN 0.473 nan 8.230 nan 0.000 0.435 56 K N 4.369 124.856 120.400 0.144 0.000 2.258 56 K HA 0.503 4.822 4.320 -0.002 0.000 0.264 56 K C -0.236 176.465 176.600 0.169 0.000 1.007 56 K CA -0.130 56.236 56.287 0.131 0.000 0.941 56 K CB 1.278 33.852 32.500 0.124 0.000 0.966 56 K HN 0.464 nan 8.250 nan 0.000 0.480 57 L N 0.574 121.832 121.223 0.059 0.000 2.250 57 L HA 0.443 4.782 4.340 -0.002 0.000 0.252 57 L C -0.965 175.703 176.870 -0.336 0.000 1.054 57 L CA -1.108 53.645 54.840 -0.145 0.000 0.856 57 L CB 1.154 43.172 42.059 -0.068 0.000 1.443 57 L HN 0.506 nan 8.230 nan 0.000 0.427 58 Y N 0.335 120.096 120.300 -0.899 0.000 2.517 58 Y HA 0.315 4.864 4.550 -0.002 0.000 0.328 58 Y C -0.815 174.813 175.900 -0.453 0.000 1.130 58 Y CA -0.434 57.286 58.100 -0.633 0.000 1.280 58 Y CB 1.215 39.167 38.460 -0.846 0.000 1.101 58 Y HN 0.401 nan 8.280 nan 0.000 0.610 59 S N 5.579 121.112 115.700 -0.279 0.000 2.416 59 S HA 0.531 5.000 4.470 -0.002 0.000 0.287 59 S C -0.564 173.926 174.600 -0.183 0.000 1.139 59 S CA -0.513 57.578 58.200 -0.182 0.000 1.058 59 S CB -0.097 63.047 63.200 -0.094 0.000 0.967 59 S HN 0.555 nan 8.310 nan 0.000 0.495 60 L N 1.668 122.719 121.223 -0.287 0.000 2.313 60 L HA 0.791 5.130 4.340 -0.002 0.000 0.268 60 L C -0.253 176.487 176.870 -0.218 0.000 1.010 60 L CA -0.811 53.836 54.840 -0.322 0.000 0.814 60 L CB 0.881 42.419 42.059 -0.867 0.000 1.304 60 L HN 0.304 nan 8.230 nan 0.000 0.441 61 R N 1.067 121.494 120.500 -0.121 0.000 2.468 61 R HA 0.275 4.614 4.340 -0.002 0.000 0.302 61 R C -1.803 174.525 176.300 0.047 0.000 1.041 61 R CA -0.249 55.842 56.100 -0.016 0.000 0.899 61 R CB 0.978 31.300 30.300 0.036 0.000 1.167 61 R HN 0.743 nan 8.270 nan 0.000 0.483 62 W N 4.273 125.671 121.300 0.164 0.000 2.397 62 W HA 0.086 4.745 4.660 -0.002 0.000 0.327 62 W C 1.748 178.360 176.519 0.155 0.000 1.421 62 W CA -0.381 57.079 57.345 0.193 0.000 1.288 62 W CB 0.355 29.921 29.460 0.177 0.000 1.312 62 W HN 0.648 nan 8.180 nan 0.000 0.559 63 I N 0.793 121.592 120.570 0.381 0.000 3.956 63 I HA 0.281 4.450 4.170 -0.002 0.000 0.333 63 I C 0.699 176.975 176.117 0.265 0.000 1.302 63 I CA 0.006 61.456 61.300 0.250 0.000 1.122 63 I CB -0.242 37.857 38.000 0.164 0.000 1.013 63 I HN 0.261 nan 8.210 nan 0.000 0.405 64 S N -0.500 115.414 115.700 0.357 0.000 2.714 64 S HA 0.216 4.684 4.470 -0.002 0.000 0.280 64 S C -0.289 174.496 174.600 0.309 0.000 1.200 64 S CA -0.188 58.198 58.200 0.310 0.000 0.900 64 S CB 1.132 64.519 63.200 0.312 0.000 1.235 64 S HN 0.097 nan 8.310 nan 0.000 0.512 65 D N -0.966 119.596 120.400 0.270 0.000 2.339 65 D HA 0.300 4.939 4.640 -0.002 0.000 0.217 65 D C 0.818 177.042 176.300 -0.126 0.000 1.050 65 D CA 0.776 54.790 54.000 0.022 0.000 0.856 65 D CB 0.015 40.783 40.800 -0.053 0.000 0.922 65 D HN 0.570 nan 8.370 nan 0.000 0.518 66 H N -1.250 117.952 119.070 0.219 0.000 2.824 66 H HA 0.318 4.873 4.556 -0.002 0.000 0.238 66 H C 0.062 175.496 175.328 0.178 0.000 0.931 66 H CA -0.036 56.100 56.048 0.147 0.000 1.090 66 H CB 0.372 30.204 29.762 0.117 0.000 1.433 66 H HN 0.125 nan 8.280 nan 0.000 0.437 67 E N 0.470 120.918 120.200 0.414 0.000 2.359 67 E HA 0.473 4.822 4.350 -0.002 0.000 0.266 67 E C -1.231 175.566 176.600 0.328 0.000 0.920 67 E CA -1.318 55.235 56.400 0.255 0.000 0.788 67 E CB 2.541 32.310 29.700 0.115 0.000 1.279 67 E HN 0.266 nan 8.360 nan 0.000 0.438 68 Y N -1.078 119.232 120.300 0.017 0.000 2.581 68 Y HA 0.640 5.189 4.550 -0.002 0.000 0.345 68 Y C -1.254 174.630 175.900 -0.026 0.000 1.036 68 Y CA -1.500 56.494 58.100 -0.177 0.000 1.042 68 Y CB 1.099 39.076 38.460 -0.805 0.000 1.289 68 Y HN 0.368 nan 8.280 nan 0.000 0.471 69 L N 2.448 123.779 121.223 0.180 0.000 2.375 69 L HA 0.539 4.878 4.340 -0.002 0.000 0.268 69 L C -1.196 175.859 176.870 0.307 0.000 1.058 69 L CA -0.998 53.932 54.840 0.150 0.000 0.803 69 L CB 1.546 43.606 42.059 0.001 0.000 1.212 69 L HN 0.789 nan 8.230 nan 0.000 0.451 70 Y N 0.832 121.196 120.300 0.106 0.000 2.565 70 Y HA 0.283 4.832 4.550 -0.002 0.000 0.330 70 Y C -1.341 174.577 175.900 0.030 0.000 1.150 70 Y CA -1.435 56.668 58.100 0.005 0.000 1.055 70 Y CB 1.604 40.018 38.460 -0.076 0.000 1.337 70 Y HN 0.389 nan 8.280 nan 0.000 0.457 71 K N 4.398 124.291 120.400 -0.845 0.000 2.292 71 K HA 0.194 4.513 4.320 -0.002 0.000 0.270 71 K C 0.167 176.358 176.600 -0.683 0.000 1.062 71 K CA -0.592 55.354 56.287 -0.569 0.000 0.916 71 K CB 1.920 34.187 32.500 -0.389 0.000 1.166 71 K HN 0.655 nan 8.250 nan 0.000 0.458 72 Q N 2.188 121.833 119.800 -0.259 0.000 1.946 72 Q HA -0.141 4.198 4.340 -0.002 0.000 0.199 72 Q C 1.010 176.956 176.000 -0.090 0.000 0.979 72 Q CA 1.862 57.626 55.803 -0.066 0.000 0.834 72 Q CB 0.390 29.181 28.738 0.088 0.000 0.899 72 Q HN 0.517 nan 8.270 nan 0.000 0.431 73 E N -0.834 119.325 120.200 -0.069 0.000 2.799 73 E HA 0.173 4.522 4.350 -0.002 0.000 0.298 73 E C 1.117 177.666 176.600 -0.084 0.000 0.805 73 E CA 0.228 56.592 56.400 -0.059 0.000 1.265 73 E CB -0.179 29.501 29.700 -0.033 0.000 2.052 73 E HN 0.261 nan 8.360 nan 0.000 0.541 74 N N 0.984 119.642 118.700 -0.070 0.000 2.166 74 N HA 0.031 4.770 4.740 -0.002 0.000 0.213 74 N C -0.531 174.931 175.510 -0.080 0.000 1.222 74 N CA 0.035 53.041 53.050 -0.073 0.000 0.900 74 N CB 0.682 39.139 38.487 -0.051 0.000 1.055 74 N HN 0.206 nan 8.380 nan 0.000 0.515 75 N N 0.619 119.273 118.700 -0.075 0.000 2.508 75 N HA 0.313 5.052 4.740 -0.002 0.000 0.285 75 N C -0.306 175.151 175.510 -0.088 0.000 1.144 75 N CA -0.244 52.762 53.050 -0.073 0.000 0.978 75 N CB 1.182 39.637 38.487 -0.052 0.000 1.180 75 N HN -0.050 nan 8.380 nan 0.000 0.484 76 I N 0.598 121.112 120.570 -0.093 0.000 2.342 76 I HA 0.249 4.418 4.170 -0.002 0.000 0.291 76 I C -0.188 175.940 176.117 0.019 0.000 1.010 76 I CA -0.700 60.540 61.300 -0.100 0.000 1.308 76 I CB 0.499 38.347 38.000 -0.253 0.000 1.400 76 I HN 0.257 nan 8.210 nan 0.000 0.488 77 L N 6.528 127.794 121.223 0.071 0.000 2.330 77 L HA 0.646 4.985 4.340 -0.002 0.000 0.271 77 L C -0.452 176.517 176.870 0.166 0.000 1.013 77 L CA -1.035 53.873 54.840 0.112 0.000 0.816 77 L CB 2.215 44.369 42.059 0.159 0.000 1.287 77 L HN 0.318 nan 8.230 nan 0.000 0.435 78 V N 2.038 121.987 119.914 0.057 0.000 2.448 78 V HA 0.524 4.643 4.120 -0.002 0.000 0.295 78 V C -1.085 174.906 176.094 -0.173 0.000 1.025 78 V CA -0.202 62.129 62.300 0.052 0.000 0.859 78 V CB 1.399 33.324 31.823 0.170 0.000 0.988 78 V HN 0.447 nan 8.190 nan 0.000 0.431 79 F N 5.174 124.861 119.950 -0.438 0.000 2.450 79 F HA 0.490 5.016 4.527 -0.002 0.000 0.332 79 F C 0.559 176.075 175.800 -0.473 0.000 1.093 79 F CA -0.623 57.045 58.000 -0.553 0.000 1.003 79 F CB 1.574 39.968 39.000 -1.009 0.000 1.151 79 F HN 0.523 nan 8.300 nan 0.000 0.474 80 N N 2.252 120.896 118.700 -0.094 0.000 2.415 80 N HA 0.199 4.938 4.740 -0.002 0.000 0.246 80 N C 0.618 176.083 175.510 -0.075 0.000 1.078 80 N CA 0.161 53.183 53.050 -0.047 0.000 0.942 80 N CB 1.546 40.060 38.487 0.046 0.000 1.140 80 N HN 0.810 nan 8.380 nan 0.000 0.501 81 A N 4.032 126.766 122.820 -0.143 0.000 1.908 81 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 81 A C 1.861 179.275 177.584 -0.282 0.000 1.181 81 A CA 1.588 53.520 52.037 -0.176 0.000 0.627 81 A CB -0.549 18.238 19.000 -0.356 0.000 0.818 81 A HN 0.862 nan 8.150 nan 0.000 0.445 82 E N -2.171 117.762 120.200 -0.446 0.000 2.204 82 E HA -0.201 4.148 4.350 -0.002 0.000 0.195 82 E C 0.753 176.970 176.600 -0.637 0.000 0.990 82 E CA 1.397 57.513 56.400 -0.474 0.000 0.821 82 E CB -0.064 29.246 29.700 -0.650 0.000 0.750 82 E HN 0.793 nan 8.360 nan 0.000 0.477 83 Y N -2.270 118.062 120.300 0.052 0.000 2.499 83 Y HA 0.338 4.887 4.550 -0.001 0.000 0.253 83 Y C 1.308 177.237 175.900 0.048 0.000 1.105 83 Y CA 0.086 58.214 58.100 0.047 0.000 1.240 83 Y CB 1.123 39.604 38.460 0.035 0.000 1.289 83 Y HN 0.094 nan 8.280 nan 0.000 0.534 84 G N 1.450 110.339 108.800 0.147 0.000 2.168 84 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.263 84 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.263 84 G C 0.064 175.080 174.900 0.193 0.000 0.977 84 G CA 0.403 45.618 45.100 0.192 0.000 0.659 84 G HN 0.457 nan 8.290 nan 0.000 0.533 85 N N 0.334 119.099 118.700 0.109 0.000 2.493 85 N HA 0.718 5.457 4.740 -0.002 0.000 0.275 85 N C 0.232 175.628 175.510 -0.190 0.000 1.186 85 N CA 0.473 53.516 53.050 -0.012 0.000 0.978 85 N CB 1.788 40.285 38.487 0.017 0.000 1.184 85 N HN 0.922 nan 8.380 nan 0.000 0.487 86 S N -0.700 114.795 115.700 -0.342 0.000 2.973 86 S HA 0.840 5.309 4.470 -0.002 0.000 0.317 86 S C -1.003 173.405 174.600 -0.320 0.000 1.196 86 S CA -0.481 57.408 58.200 -0.520 0.000 0.894 86 S CB 0.735 63.148 63.200 -1.312 0.000 1.292 86 S HN 1.229 nan 8.310 nan 0.000 0.614 87 S N -1.071 114.445 115.700 -0.307 0.000 2.633 87 S HA 0.479 4.948 4.470 -0.002 0.000 0.271 87 S C -1.488 173.040 174.600 -0.121 0.000 1.112 87 S CA -0.876 57.219 58.200 -0.174 0.000 0.828 87 S CB 0.467 63.592 63.200 -0.124 0.000 1.086 87 S HN 1.149 nan 8.310 nan 0.000 0.461 88 V N 2.690 122.556 119.914 -0.081 0.000 2.439 88 V HA 0.248 4.367 4.120 -0.002 0.000 0.271 88 V C 0.872 176.964 176.094 -0.003 0.000 1.040 88 V CA -0.039 62.241 62.300 -0.033 0.000 1.002 88 V CB -0.032 31.764 31.823 -0.046 0.000 1.000 88 V HN 0.865 nan 8.190 nan 0.000 0.477 89 F N 5.621 125.518 119.950 -0.088 0.000 2.234 89 F HA 0.291 4.817 4.527 -0.002 0.000 0.296 89 F C 0.510 176.261 175.800 -0.083 0.000 1.089 89 F CA 0.910 58.866 58.000 -0.073 0.000 1.343 89 F CB 0.452 39.417 39.000 -0.059 0.000 1.040 89 F HN 0.363 nan 8.300 nan 0.000 0.498 90 L N 1.145 122.466 121.223 0.163 0.000 2.737 90 L HA 0.207 4.546 4.340 -0.002 0.000 0.261 90 L C -0.912 175.940 176.870 -0.030 0.000 0.949 90 L CA -0.610 54.256 54.840 0.043 0.000 0.952 90 L CB 1.222 43.352 42.059 0.117 0.000 1.337 90 L HN 0.220 nan 8.230 nan 0.000 0.430 91 E N 1.486 121.643 120.200 -0.072 0.000 2.354 91 E HA 0.184 4.533 4.350 -0.002 0.000 0.269 91 E C 0.310 176.858 176.600 -0.086 0.000 1.036 91 E CA -0.338 56.017 56.400 -0.075 0.000 0.876 91 E CB 0.576 30.229 29.700 -0.077 0.000 1.009 91 E HN 0.604 nan 8.360 nan 0.000 0.416 92 N N 1.856 120.517 118.700 -0.066 0.000 2.717 92 N HA -0.225 4.514 4.740 -0.002 0.000 0.197 92 N C 0.964 176.440 175.510 -0.057 0.000 1.215 92 N CA 1.206 54.224 53.050 -0.053 0.000 0.949 92 N CB 0.078 38.538 38.487 -0.045 0.000 0.999 92 N HN 0.409 nan 8.380 nan 0.000 0.448 93 S N -1.379 114.268 115.700 -0.087 0.000 2.483 93 S HA -0.026 4.443 4.470 -0.002 0.000 0.221 93 S C 1.671 176.178 174.600 -0.156 0.000 1.030 93 S CA 0.548 58.692 58.200 -0.094 0.000 0.925 93 S CB -0.733 62.416 63.200 -0.086 0.000 0.795 93 S HN 0.474 nan 8.310 nan 0.000 0.511 94 T N 0.754 115.149 114.554 -0.264 0.000 2.597 94 T HA -0.146 4.203 4.350 -0.002 0.000 0.267 94 T C 0.445 174.746 174.700 -0.665 0.000 1.053 94 T CA 1.561 63.331 62.100 -0.550 0.000 1.165 94 T CB -0.503 67.835 68.868 -0.883 0.000 0.863 94 T HN 0.450 nan 8.240 nan 0.000 0.427 95 F N 1.180 121.034 119.950 -0.161 0.000 2.899 95 F HA 0.390 4.916 4.527 -0.002 0.000 0.308 95 F C 1.005 176.792 175.800 -0.021 0.000 1.221 95 F CA -0.835 57.099 58.000 -0.111 0.000 1.265 95 F CB 0.196 39.029 39.000 -0.278 0.000 1.253 95 F HN 0.142 nan 8.300 nan 0.000 0.534 96 D N 0.196 120.637 120.400 0.068 0.000 2.137 96 D HA -0.078 4.561 4.640 -0.002 0.000 0.202 96 D C 1.215 177.562 176.300 0.078 0.000 0.970 96 D CA 1.177 55.212 54.000 0.058 0.000 0.837 96 D CB 0.127 40.931 40.800 0.005 0.000 0.981 96 D HN 0.174 nan 8.370 nan 0.000 0.475 97 E N -0.595 119.653 120.200 0.079 0.000 2.336 97 E HA 0.139 4.488 4.350 -0.002 0.000 0.214 97 E C 0.146 176.808 176.600 0.104 0.000 1.144 97 E CA -0.267 56.168 56.400 0.058 0.000 1.294 97 E CB -0.316 29.398 29.700 0.023 0.000 1.263 97 E HN 0.178 nan 8.360 nan 0.000 0.439 98 F N 0.327 120.284 119.950 0.010 0.000 2.615 98 F HA 0.179 4.705 4.527 -0.002 0.000 0.297 98 F C 1.731 177.460 175.800 -0.119 0.000 1.124 98 F CA 1.027 59.033 58.000 0.011 0.000 1.451 98 F CB 0.310 39.346 39.000 0.059 0.000 1.103 98 F HN 0.251 nan 8.300 nan 0.000 0.569 99 G N 0.596 109.295 108.800 -0.168 0.000 2.168 99 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.257 99 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.257 99 G C -0.079 174.427 174.900 -0.655 0.000 0.997 99 G CA 0.656 45.513 45.100 -0.405 0.000 0.708 99 G HN 0.549 nan 8.290 nan 0.000 0.520 100 H N -0.972 118.107 119.070 0.016 0.000 3.046 100 H HA 0.445 5.000 4.556 -0.002 0.000 0.363 100 H C -0.748 174.686 175.328 0.178 0.000 1.203 100 H CA -0.300 55.804 56.048 0.093 0.000 1.169 100 H CB 1.486 31.209 29.762 -0.065 0.000 1.851 100 H HN 0.114 nan 8.280 nan 0.000 0.546 101 S N 2.466 118.327 115.700 0.270 0.000 2.416 101 S HA 0.285 4.754 4.470 -0.002 0.000 0.287 101 S C 0.887 175.563 174.600 0.126 0.000 1.139 101 S CA -0.613 57.677 58.200 0.149 0.000 1.058 101 S CB -0.259 63.005 63.200 0.105 0.000 0.967 101 S HN 0.284 nan 8.310 nan 0.000 0.495 102 I N 3.879 124.460 120.570 0.019 0.000 2.421 102 I HA 0.054 4.223 4.170 -0.002 0.000 0.291 102 I C 1.521 177.612 176.117 -0.043 0.000 1.089 102 I CA -0.236 61.025 61.300 -0.065 0.000 1.354 102 I CB 0.288 38.134 38.000 -0.257 0.000 1.413 102 I HN 0.622 nan 8.210 nan 0.000 0.513 103 N N 4.187 122.867 118.700 -0.034 0.000 2.216 103 N HA -0.091 4.648 4.740 -0.002 0.000 0.183 103 N C 0.021 175.460 175.510 -0.119 0.000 1.017 103 N CA 1.133 54.117 53.050 -0.111 0.000 0.861 103 N CB 0.393 38.773 38.487 -0.177 0.000 0.986 103 N HN 0.669 nan 8.380 nan 0.000 0.428 104 D N -2.550 117.813 120.400 -0.061 0.000 2.683 104 D HA 0.149 4.788 4.640 -0.002 0.000 0.246 104 D C -1.677 174.649 176.300 0.044 0.000 1.238 104 D CA -0.562 53.414 54.000 -0.040 0.000 0.759 104 D CB 0.720 41.465 40.800 -0.092 0.000 1.349 104 D HN 0.107 nan 8.370 nan 0.000 0.426 105 Y N -0.719 119.573 120.300 -0.013 0.000 2.634 105 Y HA 0.809 5.358 4.550 -0.002 0.000 0.340 105 Y C -1.063 174.892 175.900 0.092 0.000 1.058 105 Y CA -0.967 57.144 58.100 0.018 0.000 1.081 105 Y CB 1.798 40.232 38.460 -0.043 0.000 1.295 105 Y HN 0.193 nan 8.280 nan 0.000 0.487 106 S N 1.690 117.559 115.700 0.282 0.000 2.592 106 S HA 0.613 5.082 4.470 -0.002 0.000 0.275 106 S C -1.994 172.859 174.600 0.422 0.000 1.169 106 S CA -0.474 57.888 58.200 0.269 0.000 0.958 106 S CB 0.545 63.938 63.200 0.321 0.000 1.095 106 S HN 0.612 nan 8.310 nan 0.000 0.471 107 I N 4.294 124.999 120.570 0.224 0.000 2.385 107 I HA 0.370 4.539 4.170 -0.002 0.000 0.294 107 I C 0.847 176.743 176.117 -0.369 0.000 0.988 107 I CA 0.075 61.397 61.300 0.036 0.000 1.265 107 I CB 1.753 39.775 38.000 0.036 0.000 1.388 107 I HN 0.752 nan 8.210 nan 0.000 0.480 108 S N 6.158 121.345 115.700 -0.856 0.000 2.572 108 S HA 0.213 4.682 4.470 -0.002 0.000 0.279 108 S C -1.833 172.489 174.600 -0.464 0.000 1.341 108 S CA -0.764 56.627 58.200 -1.349 0.000 1.043 108 S CB 0.436 62.799 63.200 -1.395 0.000 0.887 108 S HN 0.456 nan 8.310 nan 0.000 0.516 109 P HA -0.218 nan 4.420 nan 0.000 0.217 109 P C 0.770 178.038 177.300 -0.052 0.000 1.158 109 P CA 1.968 65.007 63.100 -0.100 0.000 0.887 109 P CB -0.221 31.435 31.700 -0.074 0.000 0.792 110 D N -2.216 118.149 120.400 -0.058 0.000 2.352 110 D HA 0.075 4.714 4.640 -0.002 0.000 0.232 110 D C 1.318 177.631 176.300 0.023 0.000 1.055 110 D CA 0.686 54.687 54.000 0.002 0.000 0.891 110 D CB -1.297 39.520 40.800 0.028 0.000 0.897 110 D HN 0.232 nan 8.370 nan 0.000 0.529 111 G N 0.137 108.943 108.800 0.010 0.000 2.180 111 G HA2 -0.427 3.532 3.960 -0.002 0.000 0.263 111 G HA3 -0.427 3.532 3.960 -0.002 0.000 0.263 111 G C 0.929 175.848 174.900 0.031 0.000 0.989 111 G CA 0.701 45.848 45.100 0.078 0.000 0.692 111 G HN 0.489 nan 8.290 nan 0.000 0.526 112 Q N -1.741 118.042 119.800 -0.029 0.000 2.354 112 Q HA 0.350 4.688 4.340 -0.002 0.000 0.203 112 Q C 0.251 175.914 176.000 -0.561 0.000 0.933 112 Q CA 0.631 56.279 55.803 -0.259 0.000 0.901 112 Q CB 0.404 29.006 28.738 -0.227 0.000 1.007 112 Q HN 0.586 nan 8.270 nan 0.000 0.495 113 F N -0.492 119.418 119.950 -0.068 0.000 2.613 113 F HA 0.506 5.032 4.527 -0.002 0.000 0.314 113 F C -0.595 175.251 175.800 0.078 0.000 1.075 113 F CA -1.237 56.775 58.000 0.020 0.000 0.945 113 F CB 1.762 40.792 39.000 0.050 0.000 1.310 113 F HN -0.218 nan 8.300 nan 0.000 0.467 114 I N 2.924 123.798 120.570 0.507 0.000 2.466 114 I HA 0.505 4.674 4.170 -0.002 0.000 0.289 114 I C -1.849 174.606 176.117 0.564 0.000 1.026 114 I CA -1.063 60.527 61.300 0.483 0.000 1.078 114 I CB 1.548 39.801 38.000 0.422 0.000 1.249 114 I HN 0.554 nan 8.210 nan 0.000 0.429 115 L N 8.475 130.076 121.223 0.630 0.000 2.260 115 L HA 0.476 4.815 4.340 -0.002 0.000 0.289 115 L C -1.148 175.911 176.870 0.316 0.000 1.057 115 L CA 0.010 55.129 54.840 0.466 0.000 0.811 115 L CB 0.791 43.074 42.059 0.373 0.000 1.184 115 L HN 0.524 nan 8.230 nan 0.000 0.429 116 L N 4.821 126.168 121.223 0.206 0.000 2.307 116 L HA 0.515 4.854 4.340 -0.002 0.000 0.282 116 L C 0.023 176.987 176.870 0.157 0.000 1.051 116 L CA -0.362 54.494 54.840 0.026 0.000 0.804 116 L CB 1.402 43.250 42.059 -0.352 0.000 1.197 116 L HN 0.602 nan 8.230 nan 0.000 0.431 117 E N 2.939 123.177 120.200 0.062 0.000 2.176 117 E HA 0.464 4.813 4.350 -0.002 0.000 0.267 117 E C -1.694 174.906 176.600 -0.001 0.000 0.893 117 E CA -0.558 55.767 56.400 -0.125 0.000 0.761 117 E CB 1.410 31.082 29.700 -0.046 0.000 1.133 117 E HN 0.444 nan 8.360 nan 0.000 0.409 118 Y N 1.543 121.659 120.300 -0.307 0.000 2.728 118 Y HA 0.466 5.015 4.550 -0.002 0.000 0.330 118 Y C -0.003 175.804 175.900 -0.154 0.000 1.234 118 Y CA -1.657 56.355 58.100 -0.147 0.000 1.070 118 Y CB 0.462 38.902 38.460 -0.033 0.000 1.300 118 Y HN 0.534 nan 8.280 nan 0.000 0.467 119 N N -0.497 118.173 118.700 -0.050 0.000 2.725 119 N HA -0.292 4.447 4.740 -0.002 0.000 0.249 119 N C -0.985 174.477 175.510 -0.079 0.000 1.103 119 N CA 1.025 53.999 53.050 -0.126 0.000 0.707 119 N CB -1.385 36.883 38.487 -0.365 0.000 1.043 119 N HN 0.840 nan 8.380 nan 0.000 0.553 120 Y N 0.687 120.906 120.300 -0.135 0.000 2.544 120 Y HA 0.289 4.838 4.550 -0.002 0.000 0.330 120 Y C -0.027 175.829 175.900 -0.075 0.000 1.136 120 Y CA 0.009 58.036 58.100 -0.122 0.000 1.417 120 Y CB 0.696 39.038 38.460 -0.198 0.000 1.229 120 Y HN -0.028 nan 8.280 nan 0.000 0.532 121 V N 8.012 127.602 119.914 -0.540 0.000 2.447 121 V HA 0.225 4.344 4.120 -0.002 0.000 0.292 121 V C -0.181 175.558 176.094 -0.591 0.000 1.021 121 V CA -1.448 60.602 62.300 -0.417 0.000 0.850 121 V CB 1.228 32.925 31.823 -0.210 0.000 1.005 121 V HN 0.764 nan 8.190 nan 0.000 0.426 122 K N 3.510 123.590 120.400 -0.534 0.000 2.319 122 K HA 0.250 4.568 4.320 -0.002 0.000 0.265 122 K C 0.366 176.802 176.600 -0.273 0.000 1.000 122 K CA 0.223 56.308 56.287 -0.337 0.000 0.943 122 K CB 1.178 33.650 32.500 -0.047 0.000 0.950 122 K HN 0.832 nan 8.250 nan 0.000 0.485 123 Q N 2.097 121.717 119.800 -0.300 0.000 1.989 123 Q HA 0.177 4.516 4.340 -0.002 0.000 0.166 123 Q C -0.179 175.606 176.000 -0.358 0.000 0.536 123 Q CA -0.508 54.930 55.803 -0.607 0.000 0.651 123 Q CB 0.258 28.428 28.738 -0.946 0.000 1.468 123 Q HN 0.725 nan 8.270 nan 0.000 0.350 124 W N 0.543 121.837 121.300 -0.009 0.000 1.945 124 W HA 0.410 5.069 4.660 -0.002 0.000 0.606 124 W C 1.667 178.164 176.519 -0.036 0.000 1.803 124 W CA -0.718 56.641 57.345 0.023 0.000 1.990 124 W CB -0.015 29.401 29.460 -0.073 0.000 2.848 124 W HN 0.301 nan 8.180 nan 0.000 0.771 125 R N -0.576 120.017 120.500 0.156 0.000 2.120 125 R HA -0.145 4.194 4.340 -0.002 0.000 0.234 125 R C 1.435 177.552 176.300 -0.305 0.000 1.123 125 R CA 1.635 57.646 56.100 -0.149 0.000 0.975 125 R CB -0.275 29.801 30.300 -0.373 0.000 0.866 125 R HN 0.512 nan 8.270 nan 0.000 0.446 126 H N -1.627 117.520 119.070 0.128 0.000 3.266 126 H HA 0.162 4.717 4.556 -0.002 0.000 0.246 126 H C 0.445 175.861 175.328 0.148 0.000 0.998 126 H CA 0.407 56.549 56.048 0.158 0.000 1.152 126 H CB 0.418 30.253 29.762 0.120 0.000 1.466 126 H HN 0.121 nan 8.280 nan 0.000 0.481 127 S N 1.240 116.927 115.700 -0.021 0.000 2.592 127 S HA 0.447 4.916 4.470 -0.002 0.000 0.271 127 S C -0.278 174.170 174.600 -0.252 0.000 1.326 127 S CA -0.464 57.390 58.200 -0.577 0.000 1.024 127 S CB 0.958 63.257 63.200 -1.502 0.000 0.921 127 S HN 0.466 nan 8.310 nan 0.000 0.527 128 Y N -2.371 117.725 120.300 -0.340 0.000 2.810 128 Y HA 0.605 5.154 4.550 -0.002 0.000 0.355 128 Y C -0.897 174.933 175.900 -0.117 0.000 1.211 128 Y CA -0.913 57.004 58.100 -0.304 0.000 1.112 128 Y CB 0.430 38.654 38.460 -0.393 0.000 1.383 128 Y HN 0.906 nan 8.280 nan 0.000 0.458 129 T N 0.059 114.632 114.554 0.033 0.000 2.930 129 T HA 1.026 5.375 4.350 -0.002 0.000 0.290 129 T C -0.485 174.277 174.700 0.104 0.000 1.052 129 T CA -0.207 61.929 62.100 0.060 0.000 1.017 129 T CB 1.805 70.672 68.868 -0.002 0.000 1.137 129 T HN 2.013 nan 8.240 nan 0.000 0.511 130 A N 0.667 123.516 122.820 0.048 0.000 2.483 130 A HA 0.756 5.075 4.320 -0.002 0.000 0.294 130 A C -0.700 176.647 177.584 -0.394 0.000 1.077 130 A CA -0.960 50.963 52.037 -0.191 0.000 0.633 130 A CB 0.829 19.704 19.000 -0.209 0.000 1.318 130 A HN 0.886 nan 8.150 nan 0.000 0.455 131 S N -0.958 114.265 115.700 -0.795 0.000 2.638 131 S HA 0.862 5.331 4.470 -0.002 0.000 0.298 131 S C -1.491 172.508 174.600 -1.002 0.000 1.111 131 S CA -0.121 57.554 58.200 -0.875 0.000 1.027 131 S CB 0.815 63.203 63.200 -1.352 0.000 1.064 131 S HN 0.484 nan 8.310 nan 0.000 0.525 132 Y N -0.160 120.000 120.300 -0.234 0.000 2.562 132 Y HA 0.476 5.025 4.550 -0.002 0.000 0.345 132 Y C -0.684 175.348 175.900 0.220 0.000 1.045 132 Y CA -0.952 57.179 58.100 0.052 0.000 1.028 132 Y CB 1.860 40.256 38.460 -0.106 0.000 1.297 132 Y HN 0.459 nan 8.280 nan 0.000 0.463 133 D N 2.532 123.187 120.400 0.426 0.000 2.736 133 D HA 0.398 5.037 4.640 -0.002 0.000 0.243 133 D C -0.867 175.602 176.300 0.281 0.000 1.304 133 D CA -0.275 53.933 54.000 0.347 0.000 0.934 133 D CB 2.144 43.233 40.800 0.481 0.000 1.382 133 D HN 0.424 nan 8.370 nan 0.000 0.571 134 I N 2.297 123.021 120.570 0.257 0.000 2.441 134 I HA 0.114 4.282 4.170 -0.002 0.000 0.287 134 I C -0.269 176.096 176.117 0.412 0.000 1.049 134 I CA -0.436 61.060 61.300 0.328 0.000 1.381 134 I CB 0.483 38.636 38.000 0.254 0.000 1.409 134 I HN 0.260 nan 8.210 nan 0.000 0.523 135 Y N 5.768 126.273 120.300 0.340 0.000 2.341 135 Y HA 0.214 4.763 4.550 -0.002 0.000 0.337 135 Y C 0.057 176.139 175.900 0.303 0.000 1.014 135 Y CA -0.881 57.416 58.100 0.328 0.000 1.111 135 Y CB 1.148 39.848 38.460 0.401 0.000 1.194 135 Y HN 0.504 nan 8.280 nan 0.000 0.462 136 D N 7.111 127.337 120.400 -0.291 0.000 2.483 136 D HA 0.059 4.698 4.640 -0.002 0.000 0.220 136 D C 1.051 177.046 176.300 -0.509 0.000 1.173 136 D CA 0.267 54.054 54.000 -0.355 0.000 0.964 136 D CB 0.248 40.895 40.800 -0.256 0.000 1.046 136 D HN 0.896 nan 8.370 nan 0.000 0.517 137 L N 2.744 123.811 121.223 -0.259 0.000 2.085 137 L HA -0.326 4.013 4.340 -0.002 0.000 0.218 137 L C 1.876 178.623 176.870 -0.205 0.000 1.080 137 L CA 1.210 55.993 54.840 -0.095 0.000 0.776 137 L CB -0.482 41.552 42.059 -0.041 0.000 0.891 137 L HN 0.313 nan 8.230 nan 0.000 0.437 138 N N 0.279 118.805 118.700 -0.290 0.000 2.085 138 N HA -0.118 4.621 4.740 -0.002 0.000 0.191 138 N C 1.533 176.920 175.510 -0.206 0.000 1.058 138 N CA 1.186 54.097 53.050 -0.232 0.000 0.849 138 N CB -0.112 38.232 38.487 -0.238 0.000 1.038 138 N HN 0.175 nan 8.380 nan 0.000 0.434 139 K N 0.868 121.133 120.400 -0.226 0.000 2.585 139 K HA 0.045 4.364 4.320 -0.002 0.000 0.194 139 K C -0.351 176.123 176.600 -0.211 0.000 1.037 139 K CA 0.217 56.395 56.287 -0.182 0.000 0.964 139 K CB -0.060 32.346 32.500 -0.158 0.000 0.787 139 K HN 0.196 nan 8.250 nan 0.000 0.488 140 R N 1.058 121.387 120.500 -0.285 0.000 3.301 140 R HA -0.232 4.107 4.340 -0.002 0.000 0.249 140 R C -0.350 175.725 176.300 -0.375 0.000 0.964 140 R CA 0.553 56.476 56.100 -0.296 0.000 0.653 140 R CB -1.724 28.536 30.300 -0.066 0.000 1.043 140 R HN 0.414 nan 8.270 nan 0.000 0.454 141 Q N 0.153 119.597 119.800 -0.593 0.000 2.421 141 Q HA 0.539 4.878 4.340 -0.002 0.000 0.280 141 Q C -1.246 174.564 176.000 -0.318 0.000 1.085 141 Q CA -0.915 54.700 55.803 -0.314 0.000 0.807 141 Q CB 1.989 30.642 28.738 -0.140 0.000 1.405 141 Q HN 0.293 nan 8.270 nan 0.000 0.419 142 L N 4.135 125.380 121.223 0.036 0.000 2.276 142 L HA 0.469 4.808 4.340 -0.002 0.000 0.286 142 L C -0.650 176.306 176.870 0.144 0.000 1.061 142 L CA -0.541 54.435 54.840 0.226 0.000 0.807 142 L CB 0.660 42.967 42.059 0.412 0.000 1.177 142 L HN 0.674 nan 8.230 nan 0.000 0.429 143 I N 3.898 124.561 120.570 0.155 0.000 2.588 143 I HA 0.034 4.203 4.170 -0.002 0.000 0.283 143 I C 1.121 177.297 176.117 0.099 0.000 1.119 143 I CA 0.212 61.578 61.300 0.111 0.000 1.419 143 I CB 1.289 39.357 38.000 0.114 0.000 1.394 143 I HN 0.694 nan 8.210 nan 0.000 0.562 144 T N 0.335 114.925 114.554 0.061 0.000 3.091 144 T HA 0.271 4.620 4.350 -0.002 0.000 0.277 144 T C 0.368 175.076 174.700 0.012 0.000 0.996 144 T CA -0.374 61.752 62.100 0.042 0.000 0.897 144 T CB 0.214 69.104 68.868 0.037 0.000 1.109 144 T HN 0.382 nan 8.240 nan 0.000 0.534 145 E N 2.040 122.244 120.200 0.007 0.000 2.191 145 E HA 0.295 4.644 4.350 -0.002 0.000 0.274 145 E C -0.188 176.390 176.600 -0.036 0.000 0.948 145 E CA -0.297 56.094 56.400 -0.015 0.000 0.802 145 E CB 1.129 30.824 29.700 -0.008 0.000 1.137 145 E HN 0.215 nan 8.360 nan 0.000 0.397 146 E N 1.209 121.374 120.200 -0.058 0.000 2.228 146 E HA -0.263 4.086 4.350 -0.002 0.000 0.213 146 E C -0.363 176.170 176.600 -0.111 0.000 1.282 146 E CA 0.730 57.077 56.400 -0.088 0.000 0.707 146 E CB -1.189 28.465 29.700 -0.076 0.000 1.150 146 E HN 0.416 nan 8.360 nan 0.000 0.362 147 R N -0.196 120.233 120.500 -0.118 0.000 2.694 147 R HA 0.303 4.642 4.340 -0.002 0.000 0.268 147 R C 1.202 177.343 176.300 -0.266 0.000 1.061 147 R CA -0.426 55.590 56.100 -0.140 0.000 1.133 147 R CB 0.527 30.773 30.300 -0.090 0.000 1.020 147 R HN 0.154 nan 8.270 nan 0.000 0.475 148 I N 4.637 125.011 120.570 -0.326 0.000 2.648 148 I HA 0.020 4.189 4.170 -0.002 0.000 0.284 148 I C -1.416 174.371 176.117 -0.549 0.000 1.153 148 I CA -1.460 59.471 61.300 -0.616 0.000 1.426 148 I CB 0.494 38.103 38.000 -0.651 0.000 1.381 148 I HN 0.338 nan 8.210 nan 0.000 0.571 149 P HA 0.031 nan 4.420 nan 0.000 0.269 149 P C -0.841 176.197 177.300 -0.436 0.000 1.215 149 P CA -0.290 62.378 63.100 -0.720 0.000 0.780 149 P CB 0.509 31.356 31.700 -1.422 0.000 0.898 150 N N 1.517 120.054 118.700 -0.272 0.000 2.399 150 N HA -0.004 4.735 4.740 -0.002 0.000 0.250 150 N C 0.319 175.847 175.510 0.029 0.000 1.272 150 N CA 0.193 53.160 53.050 -0.139 0.000 0.928 150 N CB -0.678 37.745 38.487 -0.107 0.000 1.158 150 N HN 0.385 nan 8.380 nan 0.000 0.463 151 N N -1.348 117.372 118.700 0.034 0.000 2.758 151 N HA -0.157 4.582 4.740 -0.002 0.000 0.248 151 N C -1.162 174.504 175.510 0.260 0.000 1.076 151 N CA 0.733 53.859 53.050 0.126 0.000 0.696 151 N CB -1.448 37.138 38.487 0.164 0.000 0.979 151 N HN 0.416 nan 8.380 nan 0.000 0.550 152 T N 0.175 114.854 114.554 0.209 0.000 2.832 152 T HA 0.139 4.488 4.350 -0.002 0.000 0.296 152 T C 1.478 176.313 174.700 0.225 0.000 0.968 152 T CA -0.278 61.974 62.100 0.254 0.000 1.107 152 T CB 1.286 70.209 68.868 0.091 0.000 0.916 152 T HN 0.190 nan 8.240 nan 0.000 0.517 153 Q N 1.944 121.890 119.800 0.243 0.000 2.245 153 Q HA 0.115 4.454 4.340 -0.002 0.000 0.201 153 Q C 0.172 176.385 176.000 0.355 0.000 0.955 153 Q CA 0.605 56.579 55.803 0.285 0.000 0.870 153 Q CB 0.632 29.545 28.738 0.291 0.000 0.945 153 Q HN 0.690 nan 8.270 nan 0.000 0.461 154 W N -0.630 120.663 121.300 -0.012 0.000 3.464 154 W HA 0.465 5.124 4.660 -0.002 0.000 0.292 154 W C -2.333 174.114 176.519 -0.119 0.000 1.262 154 W CA -0.737 56.544 57.345 -0.106 0.000 1.202 154 W CB 1.140 30.487 29.460 -0.188 0.000 1.334 154 W HN -0.296 nan 8.180 nan 0.000 0.561 155 V N 4.548 123.776 119.914 -1.144 0.000 2.932 155 V HA 0.800 4.919 4.120 -0.002 0.000 0.307 155 V C -1.556 173.933 176.094 -1.009 0.000 1.147 155 V CA -0.002 61.776 62.300 -0.869 0.000 0.951 155 V CB 2.175 33.416 31.823 -0.969 0.000 1.031 155 V HN 0.648 nan 8.190 nan 0.000 0.426 156 T N 5.252 119.503 114.554 -0.506 0.000 2.932 156 T HA 0.575 4.924 4.350 -0.002 0.000 0.318 156 T C -1.359 173.320 174.700 -0.036 0.000 1.265 156 T CA -0.319 61.645 62.100 -0.226 0.000 1.036 156 T CB 1.059 70.018 68.868 0.152 0.000 1.209 156 T HN 0.726 nan 8.240 nan 0.000 0.484 157 W N 2.553 123.886 121.300 0.054 0.000 2.141 157 W HA 0.529 5.189 4.660 -0.002 0.000 0.354 157 W C 1.138 177.505 176.519 -0.253 0.000 1.297 157 W CA -0.532 56.792 57.345 -0.035 0.000 1.380 157 W CB 0.637 30.073 29.460 -0.039 0.000 1.168 157 W HN 0.801 nan 8.180 nan 0.000 0.639 158 S N 0.491 115.931 115.700 -0.434 0.000 2.614 158 S HA 0.223 4.692 4.470 -0.002 0.000 0.265 158 S C -1.934 172.394 174.600 -0.452 0.000 1.303 158 S CA -1.028 56.377 58.200 -1.325 0.000 1.000 158 S CB 1.000 63.252 63.200 -1.580 0.000 0.935 158 S HN 0.243 nan 8.310 nan 0.000 0.551 159 P HA 0.045 nan 4.420 nan 0.000 0.218 159 P C -0.227 177.023 177.300 -0.084 0.000 1.148 159 P CA 0.759 63.812 63.100 -0.079 0.000 0.822 159 P CB 0.104 31.794 31.700 -0.018 0.000 0.784 160 V N -2.353 117.463 119.914 -0.164 0.000 2.925 160 V HA 0.667 4.786 4.120 -0.002 0.000 0.311 160 V C 0.639 176.620 176.094 -0.187 0.000 1.104 160 V CA 0.034 62.256 62.300 -0.130 0.000 0.954 160 V CB 1.221 32.987 31.823 -0.096 0.000 1.022 160 V HN 0.415 nan 8.190 nan 0.000 0.427 161 G N 2.967 111.669 108.800 -0.163 0.000 2.498 161 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.251 161 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.251 161 G C 0.061 174.845 174.900 -0.192 0.000 1.170 161 G CA 0.469 45.416 45.100 -0.256 0.000 0.944 161 G HN 1.811 nan 8.290 nan 0.000 0.567 162 H N -0.616 118.454 119.070 0.000 0.000 3.064 162 H HA 0.446 5.001 4.556 -0.002 0.000 0.232 162 H C 0.234 175.706 175.328 0.241 0.000 1.308 162 H CA -0.292 55.811 56.048 0.092 0.000 1.010 162 H CB -0.033 29.769 29.762 0.066 0.000 2.408 162 H HN 0.466 nan 8.280 nan 0.000 0.599 163 K N 1.718 122.215 120.400 0.162 0.000 2.258 163 K HA 0.426 4.745 4.320 -0.002 0.000 0.264 163 K C -0.396 176.315 176.600 0.184 0.000 1.007 163 K CA -0.326 56.032 56.287 0.117 0.000 0.941 163 K CB 1.709 34.119 32.500 -0.150 0.000 0.966 163 K HN 0.176 nan 8.250 nan 0.000 0.480 164 L N 1.164 122.505 121.223 0.196 0.000 2.354 164 L HA 0.622 4.961 4.340 -0.002 0.000 0.269 164 L C -0.877 176.160 176.870 0.277 0.000 1.005 164 L CA -0.865 54.028 54.840 0.087 0.000 0.819 164 L CB 2.088 44.050 42.059 -0.162 0.000 1.311 164 L HN 0.709 nan 8.230 nan 0.000 0.423 165 A N 2.613 125.567 122.820 0.224 0.000 2.381 165 A HA 0.777 5.095 4.320 -0.002 0.000 0.299 165 A C -1.672 175.905 177.584 -0.011 0.000 1.049 165 A CA -0.372 51.699 52.037 0.057 0.000 0.715 165 A CB 1.213 20.194 19.000 -0.032 0.000 1.222 165 A HN 0.633 nan 8.150 nan 0.000 0.428 166 Y N -0.375 119.869 120.300 -0.094 0.000 2.597 166 Y HA 0.760 5.309 4.550 -0.002 0.000 0.340 166 Y C -1.260 174.651 175.900 0.019 0.000 1.097 166 Y CA -1.646 56.386 58.100 -0.112 0.000 1.037 166 Y CB 1.036 39.365 38.460 -0.219 0.000 1.305 166 Y HN 0.403 nan 8.280 nan 0.000 0.463 167 V N 2.266 122.341 119.914 0.268 0.000 2.435 167 V HA 0.352 4.471 4.120 -0.002 0.000 0.290 167 V C -1.365 174.979 176.094 0.415 0.000 1.030 167 V CA -0.542 61.889 62.300 0.219 0.000 0.881 167 V CB 1.206 33.070 31.823 0.068 0.000 0.983 167 V HN 0.860 nan 8.190 nan 0.000 0.445 168 W N 4.891 126.329 121.300 0.229 0.000 2.900 168 W HA 0.463 5.122 4.660 -0.002 0.000 0.336 168 W C 0.313 176.903 176.519 0.119 0.000 1.064 168 W CA -0.988 56.458 57.345 0.168 0.000 1.237 168 W CB 1.135 30.677 29.460 0.135 0.000 1.391 168 W HN 0.803 nan 8.180 nan 0.000 0.468 169 N N 5.071 123.390 118.700 -0.635 0.000 2.727 169 N HA -0.343 4.396 4.740 -0.002 0.000 0.249 169 N C -0.035 175.280 175.510 -0.324 0.000 1.048 169 N CA 0.954 53.619 53.050 -0.642 0.000 0.714 169 N CB -0.975 36.864 38.487 -1.081 0.000 0.959 169 N HN 0.715 nan 8.380 nan 0.000 0.544 170 N N -1.669 116.916 118.700 -0.192 0.000 2.828 170 N HA -0.158 4.581 4.740 -0.002 0.000 0.248 170 N C -1.462 173.951 175.510 -0.163 0.000 1.044 170 N CA 1.712 54.669 53.050 -0.157 0.000 0.851 170 N CB -0.411 37.938 38.487 -0.230 0.000 1.136 170 N HN 0.540 nan 8.380 nan 0.000 0.572 171 D N -0.284 120.021 120.400 -0.158 0.000 2.419 171 D HA 0.508 5.147 4.640 -0.002 0.000 0.234 171 D C 0.334 176.415 176.300 -0.365 0.000 1.014 171 D CA -0.444 53.366 54.000 -0.317 0.000 0.919 171 D CB 1.389 41.930 40.800 -0.431 0.000 1.366 171 D HN -0.022 nan 8.370 nan 0.000 0.490 172 I N 1.480 121.669 120.570 -0.634 0.000 2.385 172 I HA 0.284 4.452 4.170 -0.002 0.000 0.294 172 I C -0.729 174.862 176.117 -0.877 0.000 0.988 172 I CA -0.522 60.397 61.300 -0.636 0.000 1.265 172 I CB 0.666 38.225 38.000 -0.734 0.000 1.388 172 I HN 0.167 nan 8.210 nan 0.000 0.480 173 Y N 4.020 123.926 120.300 -0.657 0.000 2.545 173 Y HA 0.697 5.246 4.550 -0.002 0.000 0.348 173 Y C -0.346 175.174 175.900 -0.634 0.000 1.002 173 Y CA -0.953 56.720 58.100 -0.711 0.000 1.039 173 Y CB 2.095 39.918 38.460 -1.062 0.000 1.271 173 Y HN 0.110 nan 8.280 nan 0.000 0.467 174 V N 1.946 121.769 119.914 -0.151 0.000 2.760 174 V HA 0.480 4.599 4.120 -0.002 0.000 0.309 174 V C -1.073 175.124 176.094 0.172 0.000 1.077 174 V CA -1.527 60.779 62.300 0.010 0.000 0.910 174 V CB 2.190 34.049 31.823 0.061 0.000 1.008 174 V HN 0.621 nan 8.190 nan 0.000 0.424 175 K N 4.192 124.703 120.400 0.186 0.000 2.450 175 K HA 0.520 4.839 4.320 -0.002 0.000 0.257 175 K C 0.277 177.004 176.600 0.212 0.000 0.953 175 K CA -0.759 55.634 56.287 0.177 0.000 0.844 175 K CB 2.080 34.640 32.500 0.100 0.000 1.103 175 K HN 0.401 nan 8.250 nan 0.000 0.429 176 I N 1.017 121.740 120.570 0.255 0.000 2.286 176 I HA -0.089 4.080 4.170 -0.002 0.000 0.245 176 I C 0.421 176.659 176.117 0.202 0.000 1.104 176 I CA 1.483 62.918 61.300 0.224 0.000 1.397 176 I CB -0.214 37.926 38.000 0.233 0.000 1.072 176 I HN 0.565 nan 8.210 nan 0.000 0.417 177 E N 1.429 121.711 120.200 0.137 0.000 2.210 177 E HA 0.246 4.594 4.350 -0.002 0.000 0.266 177 E C -1.770 174.794 176.600 -0.060 0.000 0.883 177 E CA -2.070 54.356 56.400 0.043 0.000 0.761 177 E CB 1.873 31.607 29.700 0.057 0.000 1.156 177 E HN -0.016 nan 8.360 nan 0.000 0.412 178 P HA -0.190 nan 4.420 nan 0.000 0.220 178 P C 0.566 177.797 177.300 -0.115 0.000 1.144 178 P CA 1.359 64.317 63.100 -0.237 0.000 0.800 178 P CB 0.401 31.773 31.700 -0.546 0.000 0.772 179 N N -1.133 117.523 118.700 -0.073 0.000 2.250 179 N HA 0.049 4.788 4.740 -0.002 0.000 0.190 179 N C 0.698 176.192 175.510 -0.027 0.000 1.116 179 N CA -0.013 53.021 53.050 -0.027 0.000 0.881 179 N CB -0.240 38.252 38.487 0.009 0.000 1.006 179 N HN 0.176 nan 8.380 nan 0.000 0.491 180 L N 1.017 122.225 121.223 -0.025 0.000 2.439 180 L HA 0.451 4.790 4.340 -0.002 0.000 0.259 180 L C -2.216 174.613 176.870 -0.068 0.000 1.129 180 L CA -1.925 52.898 54.840 -0.028 0.000 0.803 180 L CB 0.508 42.571 42.059 0.006 0.000 1.161 180 L HN -0.208 nan 8.230 nan 0.000 0.462 181 P HA 0.036 nan 4.420 nan 0.000 0.268 181 P C -0.844 176.291 177.300 -0.275 0.000 1.205 181 P CA -0.217 62.781 63.100 -0.171 0.000 0.771 181 P CB 0.768 32.361 31.700 -0.179 0.000 0.858 182 S N 2.100 117.679 115.700 -0.201 0.000 2.646 182 S HA 0.474 4.943 4.470 -0.002 0.000 0.276 182 S C -0.758 173.677 174.600 -0.275 0.000 1.222 182 S CA -0.430 57.672 58.200 -0.162 0.000 1.014 182 S CB 0.233 63.451 63.200 0.030 0.000 0.991 182 S HN 0.240 nan 8.310 nan 0.000 0.533 183 Y N 0.133 120.458 120.300 0.041 0.000 2.361 183 Y HA 0.530 5.079 4.550 -0.002 0.000 0.332 183 Y C 0.772 176.621 175.900 -0.085 0.000 1.101 183 Y CA -0.978 57.134 58.100 0.021 0.000 1.137 183 Y CB 1.019 39.486 38.460 0.012 0.000 1.207 183 Y HN 0.701 nan 8.280 nan 0.000 0.463 184 R N 3.003 123.473 120.500 -0.049 0.000 2.221 184 R HA 0.328 4.667 4.340 -0.002 0.000 0.327 184 R C -0.033 175.881 176.300 -0.644 0.000 1.033 184 R CA -0.209 55.497 56.100 -0.657 0.000 0.887 184 R CB 0.320 30.081 30.300 -0.899 0.000 1.057 184 R HN 0.770 nan 8.270 nan 0.000 0.455 185 I N 2.336 122.477 120.570 -0.716 0.000 2.867 185 I HA -0.005 4.164 4.170 -0.002 0.000 0.265 185 I C 0.965 176.822 176.117 -0.435 0.000 1.162 185 I CA 0.839 61.873 61.300 -0.443 0.000 1.471 185 I CB -0.611 37.099 38.000 -0.483 0.000 1.123 185 I HN 0.664 nan 8.210 nan 0.000 0.440 186 T N -4.069 110.037 114.554 -0.746 0.000 2.916 186 T HA 0.404 4.753 4.350 -0.002 0.000 0.292 186 T C -0.212 174.123 174.700 -0.608 0.000 1.055 186 T CA -0.528 61.302 62.100 -0.450 0.000 1.009 186 T CB 2.326 70.935 68.868 -0.431 0.000 1.118 186 T HN 0.222 nan 8.240 nan 0.000 0.497 187 W N 0.651 121.835 121.300 -0.193 0.000 2.304 187 W HA 0.135 4.794 4.660 -0.002 0.000 0.326 187 W C 1.325 177.781 176.519 -0.105 0.000 0.920 187 W CA -0.009 57.258 57.345 -0.130 0.000 1.518 187 W CB 0.589 29.994 29.460 -0.091 0.000 1.112 187 W HN 0.965 nan 8.180 nan 0.000 0.528 188 T N -2.486 112.092 114.554 0.039 0.000 3.060 188 T HA 0.188 4.537 4.350 -0.002 0.000 0.249 188 T C 1.285 175.963 174.700 -0.037 0.000 1.079 188 T CA 0.275 62.384 62.100 0.015 0.000 1.013 188 T CB 0.239 69.115 68.868 0.014 0.000 0.975 188 T HN -0.039 nan 8.240 nan 0.000 0.518 189 G N 1.219 109.961 108.800 -0.097 0.000 2.460 189 G HA2 0.295 4.254 3.960 -0.002 0.000 0.230 189 G HA3 0.295 4.254 3.960 -0.002 0.000 0.230 189 G C -0.516 174.308 174.900 -0.128 0.000 1.248 189 G CA -0.291 44.728 45.100 -0.134 0.000 0.863 189 G HN 0.615 nan 8.290 nan 0.000 0.549 190 K N 1.363 121.660 120.400 -0.171 0.000 2.579 190 K HA 0.081 4.400 4.320 -0.002 0.000 0.283 190 K C -0.274 176.191 176.600 -0.226 0.000 1.069 190 K CA -0.564 55.630 56.287 -0.156 0.000 0.977 190 K CB 1.002 33.450 32.500 -0.087 0.000 1.334 190 K HN 0.678 nan 8.250 nan 0.000 0.462 191 E N 3.224 123.297 120.200 -0.211 0.000 2.900 191 E HA -0.177 4.172 4.350 -0.002 0.000 0.259 191 E C -0.562 175.930 176.600 -0.180 0.000 0.918 191 E CA 1.243 57.516 56.400 -0.211 0.000 0.960 191 E CB 0.213 29.831 29.700 -0.138 0.000 0.908 191 E HN 0.602 nan 8.360 nan 0.000 0.511 192 D N 2.756 123.020 120.400 -0.226 0.000 2.983 192 D HA -0.241 4.398 4.640 -0.002 0.000 0.225 192 D C 0.413 176.743 176.300 0.051 0.000 1.174 192 D CA 1.421 55.418 54.000 -0.005 0.000 0.831 192 D CB -0.939 39.909 40.800 0.080 0.000 1.104 192 D HN 0.518 nan 8.370 nan 0.000 0.421 193 I N -1.551 118.963 120.570 -0.092 0.000 3.859 193 I HA 0.058 4.227 4.170 -0.002 0.000 0.266 193 I C 0.179 176.378 176.117 0.136 0.000 1.132 193 I CA -0.044 61.298 61.300 0.071 0.000 1.361 193 I CB 0.755 38.768 38.000 0.021 0.000 1.690 193 I HN -0.164 nan 8.210 nan 0.000 0.424 194 I N 1.665 122.222 120.570 -0.021 0.000 2.418 194 I HA 0.309 4.478 4.170 -0.002 0.000 0.287 194 I C -1.508 174.615 176.117 0.011 0.000 1.008 194 I CA -0.463 60.897 61.300 0.100 0.000 1.104 194 I CB 1.106 39.133 38.000 0.044 0.000 1.264 194 I HN 0.024 nan 8.210 nan 0.000 0.438 195 Y N 4.577 124.959 120.300 0.135 0.000 2.328 195 Y HA 0.426 4.975 4.550 -0.002 0.000 0.333 195 Y C 0.326 176.279 175.900 0.088 0.000 0.958 195 Y CA -0.938 57.236 58.100 0.123 0.000 1.167 195 Y CB 1.162 39.752 38.460 0.217 0.000 1.151 195 Y HN 0.402 nan 8.280 nan 0.000 0.470 196 N N 1.986 120.741 118.700 0.092 0.000 2.417 196 N HA 0.389 5.128 4.740 -0.002 0.000 0.274 196 N C 0.841 176.268 175.510 -0.139 0.000 0.987 196 N CA 0.433 53.463 53.050 -0.034 0.000 0.912 196 N CB 1.936 40.299 38.487 -0.206 0.000 1.177 196 N HN 0.972 nan 8.380 nan 0.000 0.490 197 G N 1.554 110.283 108.800 -0.120 0.000 2.225 197 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.254 197 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.254 197 G C 0.129 174.839 174.900 -0.317 0.000 0.988 197 G CA 0.676 45.624 45.100 -0.252 0.000 0.625 197 G HN 0.668 nan 8.290 nan 0.000 0.527 198 I N -1.386 119.058 120.570 -0.211 0.000 2.865 198 I HA 0.813 4.982 4.170 -0.002 0.000 0.302 198 I C 0.272 176.292 176.117 -0.161 0.000 1.140 198 I CA -0.544 60.495 61.300 -0.436 0.000 1.021 198 I CB 2.057 39.653 38.000 -0.674 0.000 1.233 198 I HN 0.211 nan 8.210 nan 0.000 0.427 199 T N -0.162 114.188 114.554 -0.341 0.000 2.874 199 T HA 0.384 4.733 4.350 -0.002 0.000 0.281 199 T C -0.134 174.302 174.700 -0.441 0.000 0.994 199 T CA -0.584 61.230 62.100 -0.475 0.000 1.015 199 T CB 1.281 69.970 68.868 -0.298 0.000 1.028 199 T HN 0.777 nan 8.240 nan 0.000 0.523 200 D N -0.126 119.806 120.400 -0.780 0.000 2.478 200 D HA 0.062 4.701 4.640 -0.002 0.000 0.274 200 D C 0.937 177.172 176.300 -0.109 0.000 1.234 200 D CA -1.098 52.496 54.000 -0.678 0.000 1.069 200 D CB 0.067 40.450 40.800 -0.694 0.000 1.113 200 D HN 0.709 nan 8.370 nan 0.000 0.571 201 W N 0.056 121.305 121.300 -0.085 0.000 2.333 201 W HA -0.194 4.465 4.660 -0.002 0.000 0.316 201 W C 2.162 178.563 176.519 -0.198 0.000 1.215 201 W CA 2.100 59.369 57.345 -0.126 0.000 1.278 201 W CB -0.458 28.847 29.460 -0.259 0.000 1.154 201 W HN 0.175 nan 8.180 nan 0.000 0.486 202 V N -0.020 119.984 119.914 0.149 0.000 2.626 202 V HA -0.285 3.834 4.120 -0.002 0.000 0.252 202 V C 1.817 177.761 176.094 -0.250 0.000 1.067 202 V CA 1.919 64.190 62.300 -0.048 0.000 1.081 202 V CB -0.716 31.070 31.823 -0.063 0.000 0.686 202 V HN 0.306 nan 8.190 nan 0.000 0.468 203 Y N 0.628 120.772 120.300 -0.259 0.000 2.220 203 Y HA -0.153 4.396 4.550 -0.002 0.000 0.291 203 Y C 2.578 178.404 175.900 -0.122 0.000 1.129 203 Y CA 2.108 60.080 58.100 -0.213 0.000 1.161 203 Y CB -0.108 38.115 38.460 -0.395 0.000 0.997 203 Y HN 0.386 nan 8.280 nan 0.000 0.522 204 E N 0.299 120.481 120.200 -0.030 0.000 2.085 204 E HA -0.303 4.045 4.350 -0.002 0.000 0.194 204 E C 1.939 178.505 176.600 -0.056 0.000 0.994 204 E CA 1.701 58.106 56.400 0.008 0.000 0.801 204 E CB -0.005 29.712 29.700 0.028 0.000 0.743 204 E HN 0.438 nan 8.360 nan 0.000 0.453 205 E N -0.133 119.849 120.200 -0.364 0.000 2.140 205 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 205 E C 1.587 178.059 176.600 -0.213 0.000 0.973 205 E CA 1.169 57.336 56.400 -0.387 0.000 0.829 205 E CB 0.266 29.401 29.700 -0.943 0.000 0.781 205 E HN 0.211 nan 8.360 nan 0.000 0.466 206 E N -0.739 119.315 120.200 -0.242 0.000 2.413 206 E HA 0.101 4.449 4.350 -0.002 0.000 0.203 206 E C 1.680 178.137 176.600 -0.239 0.000 0.957 206 E CA 0.426 56.723 56.400 -0.172 0.000 0.950 206 E CB 1.034 30.627 29.700 -0.178 0.000 0.957 206 E HN 0.189 nan 8.360 nan 0.000 0.497 207 V N -0.744 118.979 119.914 -0.318 0.000 2.908 207 V HA 0.113 4.232 4.120 -0.002 0.000 0.240 207 V C 1.289 177.113 176.094 -0.451 0.000 1.117 207 V CA 0.743 62.765 62.300 -0.464 0.000 1.133 207 V CB -0.075 31.304 31.823 -0.740 0.000 0.857 207 V HN 0.049 nan 8.190 nan 0.000 0.478 208 F N -0.205 119.749 119.950 0.006 0.000 2.706 208 F HA 0.303 4.829 4.527 -0.002 0.000 0.308 208 F C 1.601 177.385 175.800 -0.026 0.000 1.095 208 F CA 0.367 58.396 58.000 0.048 0.000 1.244 208 F CB 0.405 39.477 39.000 0.121 0.000 1.063 208 F HN -0.007 nan 8.300 nan 0.000 0.582 209 S N 0.676 116.428 115.700 0.087 0.000 3.350 209 S HA -0.160 4.309 4.470 -0.002 0.000 0.341 209 S C 0.135 174.467 174.600 -0.447 0.000 1.176 209 S CA 0.554 58.739 58.200 -0.026 0.000 0.972 209 S CB -1.503 61.693 63.200 -0.007 0.000 0.953 209 S HN 0.562 nan 8.310 nan 0.000 0.565 210 A N -0.848 121.884 122.820 -0.146 0.000 2.606 210 A HA 0.753 5.072 4.320 -0.002 0.000 0.293 210 A C -0.293 177.265 177.584 -0.044 0.000 1.082 210 A CA -0.443 51.460 52.037 -0.223 0.000 0.685 210 A CB 0.506 19.395 19.000 -0.185 0.000 1.284 210 A HN 0.307 nan 8.150 nan 0.000 0.408 211 Y N 1.463 121.583 120.300 -0.299 0.000 2.476 211 Y HA 0.186 4.735 4.550 -0.002 0.000 0.283 211 Y C 1.355 176.943 175.900 -0.520 0.000 1.109 211 Y CA 0.704 58.627 58.100 -0.295 0.000 1.246 211 Y CB 0.044 38.380 38.460 -0.207 0.000 1.068 211 Y HN 0.713 nan 8.280 nan 0.000 0.552 212 S N 0.539 115.651 115.700 -0.980 0.000 2.601 212 S HA 0.637 5.106 4.470 -0.002 0.000 0.271 212 S C 0.111 174.172 174.600 -0.899 0.000 1.305 212 S CA -0.181 57.278 58.200 -1.235 0.000 1.022 212 S CB 1.593 63.638 63.200 -1.924 0.000 0.940 212 S HN 0.474 nan 8.310 nan 0.000 0.525 213 A N 1.856 124.146 122.820 -0.884 0.000 3.365 213 A HA 0.540 4.859 4.320 -0.002 0.000 0.258 213 A C -0.697 176.121 177.584 -1.277 0.000 0.964 213 A CA -0.717 50.702 52.037 -1.031 0.000 0.988 213 A CB -0.608 18.211 19.000 -0.302 0.000 1.193 213 A HN 1.263 nan 8.150 nan 0.000 0.508 214 L N -4.080 116.224 121.223 -1.532 0.000 2.464 214 L HA 0.868 5.207 4.340 -0.002 0.000 0.266 214 L C -1.426 174.913 176.870 -0.885 0.000 0.965 214 L CA -1.080 53.221 54.840 -0.897 0.000 0.833 214 L CB 1.045 42.820 42.059 -0.473 0.000 1.296 214 L HN 0.259 nan 8.230 nan 0.000 0.405 215 W N 2.564 123.920 121.300 0.093 0.000 2.463 215 W HA 0.338 4.997 4.660 -0.002 0.000 0.316 215 W C -1.150 175.622 176.519 0.421 0.000 1.004 215 W CA -0.807 56.723 57.345 0.308 0.000 1.309 215 W CB 1.415 31.121 29.460 0.410 0.000 1.288 215 W HN 0.649 nan 8.180 nan 0.000 0.423 216 W N 2.425 123.917 121.300 0.320 0.000 2.158 216 W HA 0.148 4.807 4.660 -0.002 0.000 0.339 216 W C 1.337 177.676 176.519 -0.300 0.000 1.294 216 W CA 0.419 57.813 57.345 0.082 0.000 1.231 216 W CB 0.735 30.224 29.460 0.049 0.000 1.143 216 W HN 0.184 nan 8.180 nan 0.000 0.571 217 S N 2.416 117.883 115.700 -0.388 0.000 2.614 217 S HA 0.238 4.707 4.470 -0.002 0.000 0.265 217 S C -1.816 172.542 174.600 -0.404 0.000 1.303 217 S CA -1.107 56.355 58.200 -1.231 0.000 1.000 217 S CB 1.161 63.685 63.200 -1.128 0.000 0.935 217 S HN 0.268 nan 8.310 nan 0.000 0.551 218 P HA -0.208 nan 4.420 nan 0.000 0.216 218 P C 0.879 178.147 177.300 -0.054 0.000 1.167 218 P CA 1.931 64.995 63.100 -0.060 0.000 0.914 218 P CB -0.239 31.470 31.700 0.015 0.000 0.793 219 N N -2.022 116.640 118.700 -0.063 0.000 2.314 219 N HA 0.129 4.868 4.740 -0.002 0.000 0.200 219 N C 1.076 176.520 175.510 -0.109 0.000 1.135 219 N CA 0.612 53.622 53.050 -0.066 0.000 0.835 219 N CB -0.828 37.636 38.487 -0.038 0.000 0.989 219 N HN 0.233 nan 8.380 nan 0.000 0.478 220 G N -1.122 107.615 108.800 -0.106 0.000 2.179 220 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.260 220 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.260 220 G C 1.045 175.991 174.900 0.077 0.000 0.977 220 G CA 0.818 45.865 45.100 -0.088 0.000 0.641 220 G HN 0.381 nan 8.290 nan 0.000 0.533 221 T N -0.004 114.528 114.554 -0.037 0.000 2.674 221 T HA 0.125 4.474 4.350 -0.002 0.000 0.265 221 T C 1.018 175.614 174.700 -0.174 0.000 1.039 221 T CA 1.312 63.312 62.100 -0.167 0.000 1.150 221 T CB -0.104 68.554 68.868 -0.351 0.000 0.864 221 T HN 0.335 nan 8.240 nan 0.000 0.427 222 F N 0.345 120.313 119.950 0.029 0.000 2.397 222 F HA 0.592 5.118 4.527 -0.002 0.000 0.331 222 F C -0.182 175.664 175.800 0.077 0.000 1.090 222 F CA -1.346 56.692 58.000 0.064 0.000 1.065 222 F CB 1.139 40.207 39.000 0.113 0.000 1.184 222 F HN -0.051 nan 8.300 nan 0.000 0.499 223 L N 2.820 124.202 121.223 0.264 0.000 2.376 223 L HA 0.806 5.145 4.340 -0.002 0.000 0.275 223 L C -0.900 176.076 176.870 0.177 0.000 0.987 223 L CA -0.495 54.332 54.840 -0.022 0.000 0.828 223 L CB 1.061 42.836 42.059 -0.474 0.000 1.249 223 L HN 0.637 nan 8.230 nan 0.000 0.409 224 A N 4.375 127.368 122.820 0.287 0.000 2.337 224 A HA 0.891 5.210 4.320 -0.002 0.000 0.331 224 A C -1.578 176.086 177.584 0.135 0.000 1.137 224 A CA -0.323 51.768 52.037 0.089 0.000 0.807 224 A CB 1.022 20.120 19.000 0.163 0.000 1.250 224 A HN 0.919 nan 8.150 nan 0.000 0.468 225 Y N -2.110 117.971 120.300 -0.365 0.000 2.638 225 Y HA 0.787 5.336 4.550 -0.002 0.000 0.335 225 Y C -0.322 175.420 175.900 -0.264 0.000 1.155 225 Y CA -0.960 57.023 58.100 -0.196 0.000 1.046 225 Y CB 0.818 39.126 38.460 -0.254 0.000 1.303 225 Y HN 0.981 nan 8.280 nan 0.000 0.460 226 A N 1.449 124.338 122.820 0.116 0.000 2.311 226 A HA 0.740 5.059 4.320 -0.002 0.000 0.334 226 A C -1.231 176.212 177.584 -0.235 0.000 1.139 226 A CA -0.853 51.111 52.037 -0.121 0.000 0.830 226 A CB 1.816 20.721 19.000 -0.157 0.000 1.234 226 A HN 0.806 nan 8.150 nan 0.000 0.483 227 Q N 0.582 120.123 119.800 -0.431 0.000 2.304 227 Q HA 0.611 4.950 4.340 -0.002 0.000 0.270 227 Q C -2.141 173.564 176.000 -0.492 0.000 1.035 227 Q CA -0.334 55.339 55.803 -0.217 0.000 0.781 227 Q CB 1.225 30.095 28.738 0.220 0.000 1.261 227 Q HN 0.612 nan 8.270 nan 0.000 0.444 228 F N 2.203 122.229 119.950 0.127 0.000 2.495 228 F HA 0.447 4.973 4.527 -0.002 0.000 0.327 228 F C 0.314 176.248 175.800 0.223 0.000 1.103 228 F CA -0.958 57.099 58.000 0.095 0.000 0.949 228 F CB 1.499 40.453 39.000 -0.076 0.000 1.142 228 F HN 0.404 nan 8.300 nan 0.000 0.457 229 N N 1.920 120.825 118.700 0.342 0.000 2.479 229 N HA 0.248 4.987 4.740 -0.002 0.000 0.261 229 N C -1.224 174.451 175.510 0.275 0.000 0.979 229 N CA -0.442 52.774 53.050 0.277 0.000 0.930 229 N CB 1.103 39.702 38.487 0.187 0.000 1.172 229 N HN 0.560 nan 8.380 nan 0.000 0.499 230 D N 1.858 122.438 120.400 0.300 0.000 2.755 230 D HA 0.176 4.815 4.640 -0.002 0.000 0.257 230 D C 1.057 177.470 176.300 0.188 0.000 1.291 230 D CA -0.081 54.073 54.000 0.256 0.000 0.836 230 D CB 0.618 41.611 40.800 0.322 0.000 1.059 230 D HN 0.415 nan 8.370 nan 0.000 0.486 231 T N 0.194 114.839 114.554 0.152 0.000 2.684 231 T HA -0.163 4.186 4.350 -0.002 0.000 0.267 231 T C 1.236 175.991 174.700 0.091 0.000 1.036 231 T CA 1.206 63.371 62.100 0.108 0.000 1.148 231 T CB 0.020 68.942 68.868 0.089 0.000 0.863 231 T HN 0.293 nan 8.240 nan 0.000 0.436 232 E N 0.662 120.917 120.200 0.091 0.000 2.437 232 E HA 0.188 4.537 4.350 -0.002 0.000 0.195 232 E C -0.706 175.943 176.600 0.081 0.000 1.029 232 E CA -0.211 56.234 56.400 0.075 0.000 0.948 232 E CB 0.604 30.341 29.700 0.062 0.000 1.082 232 E HN 0.200 nan 8.360 nan 0.000 0.456 233 V N 3.372 123.348 119.914 0.103 0.000 2.408 233 V HA 0.140 4.259 4.120 -0.002 0.000 0.267 233 V C -2.017 174.135 176.094 0.095 0.000 1.047 233 V CA -1.796 60.569 62.300 0.108 0.000 0.937 233 V CB 0.401 32.307 31.823 0.138 0.000 0.999 233 V HN 0.059 nan 8.190 nan 0.000 0.472 234 P HA 0.102 nan 4.420 nan 0.000 0.267 234 P C -0.610 176.728 177.300 0.063 0.000 1.201 234 P CA 0.102 63.240 63.100 0.062 0.000 0.775 234 P CB 0.457 32.193 31.700 0.060 0.000 0.854 235 L N 2.351 123.588 121.223 0.024 0.000 2.325 235 L HA 0.466 4.805 4.340 -0.002 0.000 0.278 235 L C 0.265 177.088 176.870 -0.078 0.000 1.023 235 L CA -1.066 53.770 54.840 -0.007 0.000 0.811 235 L CB 1.231 43.279 42.059 -0.019 0.000 1.249 235 L HN 0.291 nan 8.230 nan 0.000 0.431 236 I N 2.310 122.785 120.570 -0.159 0.000 2.396 236 I HA 0.278 4.447 4.170 -0.002 0.000 0.292 236 I C -0.355 175.594 176.117 -0.281 0.000 0.999 236 I CA 0.130 61.241 61.300 -0.315 0.000 1.310 236 I CB 0.923 38.495 38.000 -0.713 0.000 1.404 236 I HN 0.562 nan 8.210 nan 0.000 0.496 237 E N 7.138 127.198 120.200 -0.233 0.000 2.266 237 E HA 0.558 4.907 4.350 -0.002 0.000 0.268 237 E C -1.840 174.674 176.600 -0.143 0.000 0.879 237 E CA -0.614 55.639 56.400 -0.244 0.000 0.762 237 E CB 2.336 31.939 29.700 -0.161 0.000 1.199 237 E HN 0.546 nan 8.360 nan 0.000 0.422 238 Y N -2.005 118.208 120.300 -0.146 0.000 2.604 238 Y HA 0.437 4.985 4.550 -0.002 0.000 0.331 238 Y C -0.983 174.837 175.900 -0.133 0.000 1.158 238 Y CA -1.211 56.803 58.100 -0.143 0.000 1.056 238 Y CB 0.413 38.786 38.460 -0.145 0.000 1.330 238 Y HN 0.242 nan 8.280 nan 0.000 0.457 239 S N 2.028 117.739 115.700 0.018 0.000 2.592 239 S HA 0.572 5.041 4.470 -0.002 0.000 0.271 239 S C -1.384 173.081 174.600 -0.226 0.000 1.326 239 S CA -0.279 57.785 58.200 -0.227 0.000 1.024 239 S CB 0.596 63.492 63.200 -0.507 0.000 0.921 239 S HN 0.550 nan 8.310 nan 0.000 0.527 240 F N 1.677 121.361 119.950 -0.444 0.000 2.579 240 F HA 0.423 4.949 4.527 -0.002 0.000 0.325 240 F C -0.440 175.132 175.800 -0.381 0.000 1.162 240 F CA -0.933 56.896 58.000 -0.285 0.000 0.946 240 F CB 0.814 39.792 39.000 -0.037 0.000 1.211 240 F HN 0.614 nan 8.300 nan 0.000 0.447 241 Y N 2.643 122.740 120.300 -0.338 0.000 2.420 241 Y HA 0.132 4.681 4.550 -0.002 0.000 0.292 241 Y C 1.704 177.549 175.900 -0.093 0.000 1.119 241 Y CA 1.055 59.052 58.100 -0.171 0.000 1.229 241 Y CB -0.706 37.638 38.460 -0.193 0.000 1.026 241 Y HN 0.705 nan 8.280 nan 0.000 0.554 242 S N -0.226 115.425 115.700 -0.081 0.000 3.513 242 S HA -0.220 4.249 4.470 -0.002 0.000 0.636 242 S C -0.513 174.147 174.600 0.101 0.000 2.452 242 S CA 0.169 58.457 58.200 0.148 0.000 2.644 242 S CB -1.132 62.232 63.200 0.273 0.000 0.331 242 S HN 0.466 nan 8.310 nan 0.000 1.787 243 D N 1.610 122.081 120.400 0.118 0.000 2.419 243 D HA 0.103 4.742 4.640 -0.002 0.000 0.236 243 D C 1.411 177.750 176.300 0.064 0.000 1.165 243 D CA 0.600 54.648 54.000 0.081 0.000 0.882 243 D CB 0.201 41.048 40.800 0.079 0.000 1.201 243 D HN 0.659 nan 8.370 nan 0.000 0.443 244 E N 0.712 120.938 120.200 0.043 0.000 2.233 244 E HA -0.258 4.091 4.350 -0.002 0.000 0.199 244 E C 1.441 178.059 176.600 0.030 0.000 1.004 244 E CA 1.422 57.838 56.400 0.026 0.000 0.819 244 E CB 0.125 29.834 29.700 0.015 0.000 0.738 244 E HN 0.430 nan 8.360 nan 0.000 0.478 245 S N -0.077 115.648 115.700 0.040 0.000 2.555 245 S HA -0.084 4.385 4.470 -0.002 0.000 0.230 245 S C 0.759 175.392 174.600 0.054 0.000 0.978 245 S CA -0.186 58.039 58.200 0.041 0.000 0.934 245 S CB -0.065 63.160 63.200 0.042 0.000 0.766 245 S HN 0.229 nan 8.310 nan 0.000 0.533 246 L N 2.511 123.775 121.223 0.067 0.000 2.325 246 L HA 0.359 4.698 4.340 -0.002 0.000 0.284 246 L C 1.337 178.254 176.870 0.078 0.000 1.089 246 L CA 0.030 54.923 54.840 0.087 0.000 0.836 246 L CB 0.711 42.835 42.059 0.109 0.000 1.184 246 L HN 0.272 nan 8.230 nan 0.000 0.444 247 Q N 3.923 123.779 119.800 0.093 0.000 2.020 247 Q HA -0.128 4.211 4.340 -0.002 0.000 0.202 247 Q C -0.482 175.494 176.000 -0.040 0.000 0.982 247 Q CA 1.589 57.416 55.803 0.040 0.000 0.838 247 Q CB 0.073 28.884 28.738 0.121 0.000 0.899 247 Q HN 0.654 nan 8.270 nan 0.000 0.423 248 Y N 1.221 121.538 120.300 0.029 0.000 2.331 248 Y HA 0.363 4.912 4.550 -0.002 0.000 0.338 248 Y C -1.987 173.933 175.900 0.032 0.000 0.992 248 Y CA -3.059 55.057 58.100 0.026 0.000 1.121 248 Y CB 1.142 39.608 38.460 0.011 0.000 1.184 248 Y HN 0.216 nan 8.280 nan 0.000 0.469 249 P HA 0.069 nan 4.420 nan 0.000 0.269 249 P C -0.973 176.355 177.300 0.046 0.000 1.215 249 P CA -0.285 62.858 63.100 0.073 0.000 0.780 249 P CB 1.208 32.919 31.700 0.018 0.000 0.898 250 K N 0.620 121.034 120.400 0.023 0.000 2.118 250 K HA 0.391 4.710 4.320 -0.002 0.000 0.267 250 K C 0.044 176.619 176.600 -0.043 0.000 0.991 250 K CA -0.462 55.835 56.287 0.016 0.000 0.916 250 K CB 0.715 33.246 32.500 0.053 0.000 1.041 250 K HN 0.314 nan 8.250 nan 0.000 0.455 251 T N 2.006 116.519 114.554 -0.068 0.000 2.781 251 T HA 0.174 4.523 4.350 -0.002 0.000 0.305 251 T C -0.212 174.377 174.700 -0.185 0.000 1.001 251 T CA -0.591 61.432 62.100 -0.128 0.000 0.950 251 T CB 0.535 69.338 68.868 -0.109 0.000 0.955 251 T HN 0.169 nan 8.240 nan 0.000 0.471 252 V N 5.933 125.656 119.914 -0.319 0.000 2.488 252 V HA 0.343 4.462 4.120 -0.002 0.000 0.277 252 V C 0.558 176.360 176.094 -0.486 0.000 1.046 252 V CA -0.246 61.803 62.300 -0.418 0.000 0.986 252 V CB 0.456 31.914 31.823 -0.609 0.000 0.989 252 V HN 0.690 nan 8.190 nan 0.000 0.475 253 R N 3.653 124.003 120.500 -0.250 0.000 2.439 253 R HA 0.745 5.084 4.340 -0.002 0.000 0.310 253 R C -1.565 174.703 176.300 -0.053 0.000 0.955 253 R CA -0.575 55.419 56.100 -0.177 0.000 0.853 253 R CB 2.247 32.482 30.300 -0.108 0.000 1.171 253 R HN 0.517 nan 8.270 nan 0.000 0.449 254 V N 4.286 124.169 119.914 -0.052 0.000 2.638 254 V HA 0.348 4.467 4.120 -0.002 0.000 0.306 254 V C -2.402 173.742 176.094 0.083 0.000 1.052 254 V CA -2.420 59.927 62.300 0.078 0.000 0.885 254 V CB 2.310 34.148 31.823 0.024 0.000 0.999 254 V HN 0.623 nan 8.190 nan 0.000 0.424 255 P HA 0.206 nan 4.420 nan 0.000 0.270 255 P C -1.427 175.982 177.300 0.181 0.000 1.242 255 P CA 0.248 63.455 63.100 0.178 0.000 0.768 255 P CB -0.113 31.737 31.700 0.249 0.000 0.820 256 Y N 6.489 126.770 120.300 -0.031 0.000 2.307 256 Y HA 0.366 4.914 4.550 -0.002 0.000 0.323 256 Y C -2.757 173.121 175.900 -0.036 0.000 1.100 256 Y CA -2.898 55.139 58.100 -0.105 0.000 1.140 256 Y CB 1.790 40.062 38.460 -0.314 0.000 1.159 256 Y HN 0.283 nan 8.280 nan 0.000 0.436 257 P HA 0.258 nan 4.420 nan 0.000 0.286 257 P C -0.897 176.502 177.300 0.165 0.000 1.321 257 P CA -0.223 62.955 63.100 0.130 0.000 0.790 257 P CB 1.421 33.169 31.700 0.078 0.000 0.897 258 K N 2.085 122.630 120.400 0.242 0.000 2.118 258 K HA 0.470 4.789 4.320 -0.002 0.000 0.240 258 K C 0.599 177.299 176.600 0.167 0.000 1.035 258 K CA -0.691 55.742 56.287 0.244 0.000 0.899 258 K CB 0.405 33.044 32.500 0.232 0.000 1.085 258 K HN 0.442 nan 8.250 nan 0.000 0.498 259 A N 0.886 123.824 122.820 0.196 0.000 2.563 259 A HA 0.240 4.559 4.320 -0.002 0.000 0.256 259 A C 1.175 178.785 177.584 0.043 0.000 1.056 259 A CA 1.050 53.186 52.037 0.165 0.000 0.775 259 A CB -1.488 17.682 19.000 0.284 0.000 0.973 259 A HN 0.898 nan 8.150 nan 0.000 0.516 260 G N 0.962 109.784 108.800 0.035 0.000 2.179 260 G HA2 0.111 4.070 3.960 -0.002 0.000 0.260 260 G HA3 0.111 4.070 3.960 -0.002 0.000 0.260 260 G C 0.642 175.552 174.900 0.017 0.000 0.977 260 G CA 0.741 45.836 45.100 -0.008 0.000 0.641 260 G HN 2.152 nan 8.290 nan 0.000 0.533 261 A N -0.525 122.324 122.820 0.049 0.000 2.249 261 A HA 0.781 5.100 4.320 -0.002 0.000 0.281 261 A C 0.832 178.451 177.584 0.059 0.000 1.127 261 A CA 0.254 52.325 52.037 0.056 0.000 0.833 261 A CB 0.684 19.733 19.000 0.081 0.000 1.140 261 A HN 1.149 nan 8.150 nan 0.000 0.502 262 V N 1.736 121.686 119.914 0.060 0.000 2.529 262 V HA 0.024 4.143 4.120 -0.002 0.000 0.292 262 V C 0.562 176.706 176.094 0.084 0.000 1.028 262 V CA 0.272 62.609 62.300 0.062 0.000 1.074 262 V CB -0.227 31.633 31.823 0.061 0.000 0.958 262 V HN 0.855 nan 8.190 nan 0.000 0.481 263 N N 5.736 124.486 118.700 0.084 0.000 2.476 263 N HA 0.452 5.191 4.740 -0.002 0.000 0.275 263 N C -2.497 173.104 175.510 0.151 0.000 1.190 263 N CA -1.305 51.821 53.050 0.126 0.000 0.977 263 N CB 1.339 39.901 38.487 0.125 0.000 1.200 263 N HN 0.484 nan 8.380 nan 0.000 0.515 264 P HA 0.066 nan 4.420 nan 0.000 0.277 264 P C -0.769 176.694 177.300 0.272 0.000 1.240 264 P CA -0.222 63.038 63.100 0.266 0.000 0.798 264 P CB 0.858 32.761 31.700 0.337 0.000 0.979 265 T N -0.941 113.741 114.554 0.214 0.000 2.927 265 T HA 0.572 4.921 4.350 -0.002 0.000 0.281 265 T C -0.105 174.714 174.700 0.199 0.000 0.998 265 T CA -0.747 61.439 62.100 0.142 0.000 1.019 265 T CB 1.419 70.340 68.868 0.087 0.000 1.061 265 T HN 0.363 nan 8.240 nan 0.000 0.518 266 V N 0.193 120.196 119.914 0.148 0.000 3.078 266 V HA 0.815 4.934 4.120 -0.002 0.000 0.311 266 V C -1.644 174.500 176.094 0.083 0.000 1.138 266 V CA -0.942 61.390 62.300 0.053 0.000 1.007 266 V CB 2.185 34.063 31.823 0.092 0.000 1.045 266 V HN 1.094 nan 8.190 nan 0.000 0.432 267 K N 3.364 123.738 120.400 -0.043 0.000 2.508 267 K HA 0.541 4.860 4.320 -0.002 0.000 0.260 267 K C -2.054 174.394 176.600 -0.253 0.000 0.949 267 K CA -0.425 55.806 56.287 -0.094 0.000 0.834 267 K CB 2.709 35.143 32.500 -0.109 0.000 1.365 267 K HN 0.555 nan 8.250 nan 0.000 0.437 268 F N 2.110 121.694 119.950 -0.609 0.000 2.508 268 F HA 0.617 5.143 4.527 -0.002 0.000 0.325 268 F C -1.287 173.859 175.800 -1.091 0.000 1.090 268 F CA -0.553 57.056 58.000 -0.653 0.000 0.945 268 F CB 0.896 39.663 39.000 -0.388 0.000 1.156 268 F HN 0.407 nan 8.300 nan 0.000 0.463 269 F N 2.901 122.152 119.950 -1.166 0.000 2.664 269 F HA 0.788 5.314 4.527 -0.002 0.000 0.317 269 F C -1.076 174.091 175.800 -1.054 0.000 1.108 269 F CA -1.206 56.218 58.000 -0.959 0.000 0.957 269 F CB 1.990 40.332 39.000 -1.098 0.000 1.365 269 F HN 0.124 nan 8.300 nan 0.000 0.475 270 V N 1.846 121.548 119.914 -0.353 0.000 2.777 270 V HA 0.578 4.697 4.120 -0.002 0.000 0.306 270 V C -1.375 174.794 176.094 0.126 0.000 1.112 270 V CA -0.774 61.397 62.300 -0.216 0.000 0.917 270 V CB 1.975 33.468 31.823 -0.549 0.000 1.018 270 V HN 0.647 nan 8.190 nan 0.000 0.426 271 V N 3.768 123.831 119.914 0.248 0.000 2.628 271 V HA 0.606 4.725 4.120 -0.002 0.000 0.306 271 V C -0.283 176.028 176.094 0.363 0.000 1.045 271 V CA -0.595 61.876 62.300 0.284 0.000 0.905 271 V CB 2.165 34.094 31.823 0.176 0.000 0.997 271 V HN 0.940 nan 8.190 nan 0.000 0.436 272 N N 3.678 122.550 118.700 0.287 0.000 2.555 272 N HA 0.085 4.824 4.740 -0.002 0.000 0.244 272 N C 1.256 176.728 175.510 -0.063 0.000 1.114 272 N CA 0.596 53.642 53.050 -0.007 0.000 0.963 272 N CB 1.167 39.612 38.487 -0.071 0.000 1.276 272 N HN 0.919 nan 8.380 nan 0.000 0.510 273 T N -0.328 114.202 114.554 -0.040 0.000 2.897 273 T HA -0.126 4.223 4.350 -0.002 0.000 0.271 273 T C 0.942 175.593 174.700 -0.080 0.000 1.084 273 T CA 0.971 63.059 62.100 -0.021 0.000 1.123 273 T CB 0.036 68.998 68.868 0.156 0.000 0.865 273 T HN 0.227 nan 8.240 nan 0.000 0.496 274 D N 1.576 121.901 120.400 -0.124 0.000 2.348 274 D HA -0.001 4.638 4.640 -0.002 0.000 0.216 274 D C 2.223 178.455 176.300 -0.113 0.000 0.970 274 D CA 1.133 55.060 54.000 -0.121 0.000 0.889 274 D CB -0.127 40.579 40.800 -0.157 0.000 0.912 274 D HN 0.707 nan 8.370 nan 0.000 0.524 275 S N -0.948 114.683 115.700 -0.115 0.000 2.517 275 S HA 0.096 4.565 4.470 -0.002 0.000 0.214 275 S C 2.060 176.580 174.600 -0.133 0.000 0.991 275 S CA -0.252 57.897 58.200 -0.086 0.000 0.906 275 S CB -0.142 63.036 63.200 -0.036 0.000 0.789 275 S HN 0.153 nan 8.310 nan 0.000 0.513 276 L N 2.560 123.631 121.223 -0.252 0.000 1.978 276 L HA -0.184 4.155 4.340 -0.002 0.000 0.218 276 L C 3.097 179.689 176.870 -0.463 0.000 1.075 276 L CA 1.917 56.450 54.840 -0.511 0.000 0.767 276 L CB -1.173 40.269 42.059 -1.029 0.000 0.890 276 L HN 0.599 nan 8.230 nan 0.000 0.434 277 S N -2.136 113.367 115.700 -0.328 0.000 2.447 277 S HA -0.154 4.314 4.470 -0.002 0.000 0.233 277 S C 1.977 176.593 174.600 0.026 0.000 1.006 277 S CA 1.233 59.424 58.200 -0.016 0.000 0.957 277 S CB -0.154 63.086 63.200 0.066 0.000 0.773 277 S HN 0.390 nan 8.310 nan 0.000 0.507 278 S N -0.352 115.336 115.700 -0.019 0.000 2.503 278 S HA 0.362 4.831 4.470 -0.002 0.000 0.215 278 S C 0.351 174.960 174.600 0.015 0.000 1.003 278 S CA -0.292 57.912 58.200 0.008 0.000 0.910 278 S CB -0.011 63.188 63.200 -0.001 0.000 0.790 278 S HN 0.331 nan 8.310 nan 0.000 0.514 279 V N 1.050 120.966 119.914 0.003 0.000 2.919 279 V HA 0.350 4.469 4.120 -0.002 0.000 0.316 279 V C 1.172 177.297 176.094 0.052 0.000 1.077 279 V CA -0.427 61.886 62.300 0.022 0.000 0.977 279 V CB 1.871 33.703 31.823 0.014 0.000 1.039 279 V HN 0.291 nan 8.190 nan 0.000 0.441 280 T N 1.758 116.347 114.554 0.058 0.000 2.809 280 T HA -0.028 4.321 4.350 -0.002 0.000 0.260 280 T C 0.726 175.489 174.700 0.104 0.000 1.039 280 T CA 1.309 63.457 62.100 0.081 0.000 1.141 280 T CB -0.140 68.756 68.868 0.046 0.000 0.869 280 T HN 0.511 nan 8.240 nan 0.000 0.437 281 N N 0.862 119.603 118.700 0.068 0.000 2.675 281 N HA 0.438 5.177 4.740 -0.002 0.000 0.254 281 N C -1.026 174.527 175.510 0.071 0.000 1.224 281 N CA -0.313 52.787 53.050 0.083 0.000 0.777 281 N CB 0.594 39.067 38.487 -0.023 0.000 1.256 281 N HN 0.281 nan 8.380 nan 0.000 0.531 282 A N 1.759 124.624 122.820 0.074 0.000 2.580 282 A HA 0.257 4.576 4.320 -0.002 0.000 0.244 282 A C 0.756 178.394 177.584 0.091 0.000 1.045 282 A CA 0.378 52.451 52.037 0.060 0.000 0.761 282 A CB -0.502 18.510 19.000 0.020 0.000 0.962 282 A HN 0.622 nan 8.150 nan 0.000 0.512 283 T N 1.341 115.955 114.554 0.100 0.000 2.817 283 T HA 0.476 4.824 4.350 -0.002 0.000 0.293 283 T C 0.190 174.983 174.700 0.156 0.000 0.964 283 T CA -0.407 61.761 62.100 0.115 0.000 1.085 283 T CB 0.722 69.656 68.868 0.109 0.000 0.921 283 T HN 0.449 nan 8.240 nan 0.000 0.502 284 S N 3.960 119.745 115.700 0.141 0.000 2.474 284 S HA 0.343 4.812 4.470 -0.002 0.000 0.276 284 S C 0.351 175.096 174.600 0.242 0.000 1.227 284 S CA -0.837 57.465 58.200 0.171 0.000 1.050 284 S CB -0.135 63.109 63.200 0.073 0.000 0.939 284 S HN 0.568 nan 8.310 nan 0.000 0.490 285 I N 3.519 124.247 120.570 0.263 0.000 2.365 285 I HA 0.275 4.444 4.170 -0.002 0.000 0.291 285 I C 0.568 176.798 176.117 0.189 0.000 1.004 285 I CA -0.294 61.172 61.300 0.277 0.000 1.311 285 I CB 0.804 39.052 38.000 0.413 0.000 1.401 285 I HN 0.640 nan 8.210 nan 0.000 0.491 286 Q N 6.045 125.936 119.800 0.151 0.000 2.235 286 Q HA 0.529 4.868 4.340 -0.002 0.000 0.250 286 Q C -1.156 174.810 176.000 -0.056 0.000 0.909 286 Q CA -0.517 55.216 55.803 -0.116 0.000 0.910 286 Q CB 1.506 30.143 28.738 -0.169 0.000 1.223 286 Q HN 0.584 nan 8.270 nan 0.000 0.432 287 I N 4.347 124.864 120.570 -0.089 0.000 2.388 287 I HA 0.174 4.343 4.170 -0.002 0.000 0.281 287 I C 0.206 176.332 176.117 0.016 0.000 1.046 287 I CA -0.687 60.623 61.300 0.016 0.000 1.187 287 I CB 1.298 39.325 38.000 0.045 0.000 1.351 287 I HN 0.699 nan 8.210 nan 0.000 0.472 288 T N 2.787 117.309 114.554 -0.053 0.000 2.900 288 T HA 0.502 4.851 4.350 -0.002 0.000 0.307 288 T C 0.565 175.089 174.700 -0.294 0.000 1.065 288 T CA -0.795 61.218 62.100 -0.144 0.000 1.105 288 T CB 1.357 70.135 68.868 -0.150 0.000 0.979 288 T HN 0.548 nan 8.240 nan 0.000 0.544 289 A N 3.747 126.145 122.820 -0.705 0.000 2.386 289 A HA 0.535 4.854 4.320 -0.002 0.000 0.246 289 A C -1.783 175.292 177.584 -0.848 0.000 1.089 289 A CA -1.508 49.629 52.037 -1.500 0.000 0.790 289 A CB -0.627 17.058 19.000 -2.192 0.000 1.042 289 A HN 0.836 nan 8.150 nan 0.000 0.497 290 P HA 0.200 nan 4.420 nan 0.000 0.275 290 P C 0.658 177.733 177.300 -0.375 0.000 1.228 290 P CA 0.500 63.346 63.100 -0.423 0.000 0.786 290 P CB 1.154 32.674 31.700 -0.301 0.000 0.927 291 A N 3.483 126.157 122.820 -0.244 0.000 1.958 291 A HA -0.237 4.082 4.320 -0.002 0.000 0.221 291 A C 2.174 179.651 177.584 -0.179 0.000 1.178 291 A CA 2.603 54.523 52.037 -0.195 0.000 0.642 291 A CB -1.833 17.089 19.000 -0.129 0.000 0.816 291 A HN 0.689 nan 8.150 nan 0.000 0.453 292 S N -1.680 113.938 115.700 -0.138 0.000 2.500 292 S HA -0.063 4.406 4.470 -0.002 0.000 0.239 292 S C 1.615 176.149 174.600 -0.109 0.000 0.989 292 S CA 1.497 59.648 58.200 -0.080 0.000 0.951 292 S CB -0.239 62.991 63.200 0.049 0.000 0.759 292 S HN 0.427 nan 8.310 nan 0.000 0.523 293 M N 0.517 119.969 119.600 -0.247 0.000 2.691 293 M HA 0.387 4.866 4.480 -0.002 0.000 0.261 293 M C 1.885 177.901 176.300 -0.473 0.000 1.227 293 M CA 0.566 55.643 55.300 -0.372 0.000 1.197 293 M CB -1.097 31.112 32.600 -0.652 0.000 1.294 293 M HN 0.301 nan 8.290 nan 0.000 0.508 294 L N 1.241 122.186 121.223 -0.464 0.000 2.450 294 L HA -0.135 4.204 4.340 -0.002 0.000 0.224 294 L C 2.278 179.072 176.870 -0.126 0.000 1.149 294 L CA 0.656 55.318 54.840 -0.297 0.000 0.816 294 L CB -0.830 41.075 42.059 -0.257 0.000 0.932 294 L HN 0.323 nan 8.230 nan 0.000 0.449 295 I N -2.895 117.604 120.570 -0.118 0.000 2.830 295 I HA 0.134 4.303 4.170 -0.002 0.000 0.263 295 I C 1.032 177.128 176.117 -0.034 0.000 1.230 295 I CA 0.681 61.939 61.300 -0.071 0.000 1.480 295 I CB -0.349 37.603 38.000 -0.080 0.000 1.095 295 I HN 0.089 nan 8.210 nan 0.000 0.455 296 G N 0.106 108.905 108.800 -0.003 0.000 2.706 296 G HA2 0.262 4.221 3.960 -0.002 0.000 0.307 296 G HA3 0.262 4.221 3.960 -0.002 0.000 0.307 296 G C -1.826 173.144 174.900 0.117 0.000 1.307 296 G CA -0.575 44.542 45.100 0.028 0.000 0.790 296 G HN 0.040 nan 8.290 nan 0.000 0.503 297 D N 1.140 121.555 120.400 0.026 0.000 2.414 297 D HA 0.439 5.077 4.640 -0.002 0.000 0.242 297 D C 0.349 176.602 176.300 -0.079 0.000 1.129 297 D CA 0.620 54.575 54.000 -0.076 0.000 0.885 297 D CB 0.613 41.323 40.800 -0.150 0.000 1.198 297 D HN 0.547 nan 8.370 nan 0.000 0.437 298 H N -1.021 117.900 119.070 -0.248 0.000 2.928 298 H HA 0.468 5.023 4.556 -0.002 0.000 0.285 298 H C -1.354 173.804 175.328 -0.282 0.000 1.438 298 H CA -0.788 55.113 56.048 -0.245 0.000 1.176 298 H CB 0.454 30.217 29.762 0.001 0.000 1.864 298 H HN 0.314 nan 8.280 nan 0.000 0.567 299 Y N -0.143 120.380 120.300 0.372 0.000 2.534 299 Y HA 0.392 4.940 4.550 -0.002 0.000 0.345 299 Y C -0.610 175.544 175.900 0.425 0.000 1.031 299 Y CA -1.071 57.242 58.100 0.354 0.000 1.022 299 Y CB 2.057 40.577 38.460 0.099 0.000 1.292 299 Y HN 0.488 nan 8.280 nan 0.000 0.459 300 L N 3.293 124.862 121.223 0.576 0.000 2.260 300 L HA 0.453 4.792 4.340 -0.002 0.000 0.289 300 L C 0.369 177.305 176.870 0.110 0.000 1.057 300 L CA -0.320 54.542 54.840 0.036 0.000 0.811 300 L CB 0.403 42.403 42.059 -0.098 0.000 1.184 300 L HN 0.964 nan 8.230 nan 0.000 0.429 301 C N 0.916 120.119 119.300 -0.163 0.000 3.336 301 C HA 0.639 5.098 4.460 -0.002 0.000 0.291 301 C C 0.079 174.848 174.990 -0.369 0.000 1.363 301 C CA -0.270 58.536 59.018 -0.353 0.000 1.737 301 C CB -1.332 26.274 27.740 -0.222 0.000 2.274 301 C HN 0.887 nan 8.230 nan 0.000 0.663 302 D N -0.120 120.117 120.400 -0.272 0.000 2.812 302 D HA 0.509 5.147 4.640 -0.002 0.000 0.210 302 D C -1.495 174.536 176.300 -0.448 0.000 1.260 302 D CA -0.103 53.767 54.000 -0.217 0.000 0.817 302 D CB 1.985 42.656 40.800 -0.215 0.000 1.694 302 D HN 0.031 nan 8.370 nan 0.000 0.530 303 V N 2.796 122.397 119.914 -0.521 0.000 2.531 303 V HA 0.759 4.878 4.120 -0.002 0.000 0.301 303 V C -0.451 175.263 176.094 -0.633 0.000 1.034 303 V CA -0.436 61.295 62.300 -0.948 0.000 0.865 303 V CB 1.938 32.591 31.823 -1.950 0.000 0.995 303 V HN 0.717 nan 8.190 nan 0.000 0.424 304 T N 3.392 117.627 114.554 -0.531 0.000 3.109 304 T HA 0.357 4.706 4.350 -0.002 0.000 0.311 304 T C -1.069 173.441 174.700 -0.316 0.000 1.011 304 T CA -0.491 61.455 62.100 -0.256 0.000 1.026 304 T CB 0.915 69.709 68.868 -0.123 0.000 1.047 304 T HN 0.528 nan 8.240 nan 0.000 0.448 305 W N 1.971 123.190 121.300 -0.135 0.000 2.272 305 W HA 0.538 5.197 4.660 -0.002 0.000 0.318 305 W C 1.074 177.411 176.519 -0.304 0.000 1.255 305 W CA -0.418 56.833 57.345 -0.156 0.000 1.200 305 W CB 0.736 30.201 29.460 0.008 0.000 1.170 305 W HN 0.854 nan 8.180 nan 0.000 0.549 306 A N 1.754 124.405 122.820 -0.282 0.000 1.944 306 A HA 0.193 4.512 4.320 -0.002 0.000 0.207 306 A C 0.961 178.478 177.584 -0.111 0.000 1.265 306 A CA 1.515 53.146 52.037 -0.677 0.000 0.712 306 A CB -0.399 17.754 19.000 -1.412 0.000 0.915 306 A HN 0.534 nan 8.150 nan 0.000 0.470 307 T N -5.338 109.259 114.554 0.072 0.000 2.591 307 T HA 0.348 4.697 4.350 -0.002 0.000 0.274 307 T C 0.183 175.035 174.700 0.253 0.000 0.945 307 T CA -0.328 61.866 62.100 0.157 0.000 1.087 307 T CB 0.623 69.577 68.868 0.143 0.000 1.416 307 T HN -0.035 nan 8.240 nan 0.000 0.514 308 Q N 0.251 120.178 119.800 0.213 0.000 2.378 308 Q HA 0.145 4.484 4.340 -0.002 0.000 0.205 308 Q C 0.608 176.847 176.000 0.398 0.000 0.954 308 Q CA 1.093 57.029 55.803 0.222 0.000 0.901 308 Q CB 0.073 28.909 28.738 0.163 0.000 0.981 308 Q HN 0.811 nan 8.270 nan 0.000 0.483 309 E N 0.042 120.479 120.200 0.396 0.000 2.921 309 E HA 0.207 4.556 4.350 -0.002 0.000 0.203 309 E C -0.325 176.520 176.600 0.408 0.000 0.975 309 E CA -0.148 56.499 56.400 0.411 0.000 1.225 309 E CB 1.073 30.938 29.700 0.275 0.000 1.048 309 E HN -0.052 nan 8.360 nan 0.000 0.477 310 R N 1.686 122.464 120.500 0.464 0.000 2.515 310 R HA 0.519 4.858 4.340 -0.002 0.000 0.291 310 R C -1.798 174.568 176.300 0.110 0.000 1.046 310 R CA -0.442 55.821 56.100 0.271 0.000 0.914 310 R CB 1.308 31.670 30.300 0.102 0.000 1.191 310 R HN 0.107 nan 8.270 nan 0.000 0.435 311 I N 2.985 123.466 120.570 -0.149 0.000 2.608 311 I HA 0.474 4.643 4.170 -0.002 0.000 0.295 311 I C -1.021 174.797 176.117 -0.498 0.000 1.049 311 I CA -0.515 60.404 61.300 -0.636 0.000 1.063 311 I CB 2.284 39.428 38.000 -1.427 0.000 1.248 311 I HN 0.830 nan 8.210 nan 0.000 0.424 312 S N 7.683 123.059 115.700 -0.539 0.000 2.482 312 S HA 0.741 5.210 4.470 -0.002 0.000 0.303 312 S C -1.118 173.160 174.600 -0.536 0.000 1.091 312 S CA -0.718 57.240 58.200 -0.403 0.000 1.057 312 S CB 1.504 64.565 63.200 -0.232 0.000 1.031 312 S HN 0.574 nan 8.310 nan 0.000 0.485 313 L N 2.319 123.248 121.223 -0.490 0.000 2.386 313 L HA 0.555 4.894 4.340 -0.002 0.000 0.271 313 L C -0.449 176.129 176.870 -0.486 0.000 0.993 313 L CA -0.659 53.782 54.840 -0.666 0.000 0.819 313 L CB 2.219 43.787 42.059 -0.819 0.000 1.294 313 L HN 0.710 nan 8.230 nan 0.000 0.414 314 Q N 2.008 121.468 119.800 -0.566 0.000 2.333 314 Q HA 0.394 4.733 4.340 -0.002 0.000 0.268 314 Q C -1.728 174.058 176.000 -0.356 0.000 1.007 314 Q CA -0.550 55.057 55.803 -0.327 0.000 0.810 314 Q CB 2.309 30.897 28.738 -0.249 0.000 1.264 314 Q HN 0.404 nan 8.270 nan 0.000 0.452 315 W N 2.743 123.982 121.300 -0.101 0.000 2.627 315 W HA 0.618 5.277 4.660 -0.002 0.000 0.339 315 W C -0.777 175.760 176.519 0.029 0.000 1.058 315 W CA -0.730 56.606 57.345 -0.014 0.000 1.223 315 W CB 1.031 30.468 29.460 -0.038 0.000 1.389 315 W HN 0.388 nan 8.180 nan 0.000 0.541 316 L N 2.733 124.173 121.223 0.362 0.000 2.409 316 L HA 0.576 4.915 4.340 -0.002 0.000 0.272 316 L C -0.298 176.764 176.870 0.320 0.000 0.980 316 L CA -1.357 53.657 54.840 0.290 0.000 0.826 316 L CB 1.272 43.473 42.059 0.236 0.000 1.268 316 L HN 0.432 nan 8.230 nan 0.000 0.407 317 R N 2.747 123.397 120.500 0.249 0.000 2.643 317 R HA 0.211 4.550 4.340 -0.002 0.000 0.270 317 R C 1.027 177.383 176.300 0.094 0.000 1.061 317 R CA -0.082 56.113 56.100 0.157 0.000 1.107 317 R CB 0.539 30.927 30.300 0.146 0.000 0.999 317 R HN 0.683 nan 8.270 nan 0.000 0.460 318 R N 1.597 122.052 120.500 -0.075 0.000 2.154 318 R HA -0.126 4.213 4.340 -0.002 0.000 0.248 318 R C 0.430 176.779 176.300 0.083 0.000 1.155 318 R CA 1.278 57.329 56.100 -0.081 0.000 0.979 318 R CB 0.129 30.347 30.300 -0.138 0.000 0.869 318 R HN 0.412 nan 8.270 nan 0.000 0.452 319 I N 2.872 123.479 120.570 0.062 0.000 2.241 319 I HA 0.011 4.180 4.170 -0.002 0.000 0.294 319 I C 0.147 176.325 176.117 0.101 0.000 1.145 319 I CA 0.266 61.605 61.300 0.065 0.000 1.261 319 I CB 0.555 38.578 38.000 0.038 0.000 1.475 319 I HN 0.287 nan 8.210 nan 0.000 0.533 320 Q N 3.815 123.678 119.800 0.105 0.000 2.228 320 Q HA -0.142 4.197 4.340 -0.002 0.000 0.160 320 Q C 0.652 176.736 176.000 0.141 0.000 0.788 320 Q CA 0.285 56.162 55.803 0.123 0.000 1.076 320 Q CB -0.503 28.266 28.738 0.051 0.000 1.165 320 Q HN 0.613 nan 8.270 nan 0.000 0.464 321 N N -0.817 117.971 118.700 0.146 0.000 2.291 321 N HA -0.017 4.722 4.740 -0.002 0.000 0.244 321 N C -1.191 174.445 175.510 0.210 0.000 1.216 321 N CA -0.282 52.850 53.050 0.136 0.000 0.879 321 N CB 0.356 38.897 38.487 0.089 0.000 1.167 321 N HN 0.231 nan 8.380 nan 0.000 0.515 322 Y N 1.027 121.358 120.300 0.051 0.000 2.313 322 Y HA 0.444 4.993 4.550 -0.002 0.000 0.320 322 Y C -1.331 174.607 175.900 0.063 0.000 1.171 322 Y CA -0.749 57.378 58.100 0.045 0.000 1.093 322 Y CB 1.180 39.658 38.460 0.029 0.000 1.224 322 Y HN 0.173 nan 8.280 nan 0.000 0.421 323 S N 3.976 119.554 115.700 -0.204 0.000 2.568 323 S HA 0.942 5.411 4.470 -0.002 0.000 0.293 323 S C -1.680 172.780 174.600 -0.233 0.000 1.089 323 S CA -0.800 57.339 58.200 -0.101 0.000 0.945 323 S CB 2.212 65.395 63.200 -0.027 0.000 1.077 323 S HN 0.425 nan 8.310 nan 0.000 0.485 324 V N 2.550 122.425 119.914 -0.066 0.000 2.709 324 V HA 0.554 4.673 4.120 -0.002 0.000 0.308 324 V C -0.588 175.523 176.094 0.028 0.000 1.062 324 V CA -0.682 61.586 62.300 -0.054 0.000 0.901 324 V CB 1.930 33.743 31.823 -0.017 0.000 1.003 324 V HN 1.029 nan 8.190 nan 0.000 0.425 325 M N 3.473 123.070 119.600 -0.005 0.000 2.294 325 M HA 0.563 5.042 4.480 -0.002 0.000 0.335 325 M C -1.597 174.711 176.300 0.014 0.000 1.079 325 M CA -0.342 54.936 55.300 -0.036 0.000 0.982 325 M CB 1.345 33.867 32.600 -0.129 0.000 1.651 325 M HN 0.597 nan 8.290 nan 0.000 0.437 326 D N 5.219 125.617 120.400 -0.003 0.000 2.278 326 D HA 0.499 5.138 4.640 -0.002 0.000 0.245 326 D C -0.971 175.299 176.300 -0.051 0.000 1.052 326 D CA -0.030 53.975 54.000 0.007 0.000 0.834 326 D CB 1.955 42.787 40.800 0.053 0.000 1.194 326 D HN 0.594 nan 8.370 nan 0.000 0.481 327 I N 2.740 123.310 120.570 0.001 0.000 2.359 327 I HA 0.265 4.434 4.170 -0.002 0.000 0.284 327 I C -0.493 175.637 176.117 0.021 0.000 1.018 327 I CA -0.557 60.742 61.300 -0.002 0.000 1.173 327 I CB 0.905 38.961 38.000 0.093 0.000 1.326 327 I HN 0.179 nan 8.210 nan 0.000 0.462 328 c N 3.987 122.589 118.600 0.005 0.000 2.329 328 c HA 0.517 5.086 4.570 -0.002 0.000 0.329 328 c C -0.116 174.121 174.090 0.245 0.000 1.275 328 c CA -0.747 55.652 56.329 0.116 0.000 1.726 328 c CB 0.667 43.254 42.510 0.128 0.000 2.291 328 c HN 0.587 nan 8.230 nan 0.000 0.514 329 D N 0.247 120.761 120.400 0.190 0.000 2.248 329 D HA 0.325 4.963 4.640 -0.002 0.000 0.246 329 D C -0.647 175.570 176.300 -0.139 0.000 1.027 329 D CA -0.243 53.816 54.000 0.100 0.000 0.853 329 D CB 0.741 41.562 40.800 0.036 0.000 1.243 329 D HN 0.576 nan 8.370 nan 0.000 0.462 330 Y N 1.874 121.774 120.300 -0.666 0.000 2.402 330 Y HA 0.141 4.690 4.550 -0.002 0.000 0.333 330 Y C -0.100 175.498 175.900 -0.502 0.000 1.076 330 Y CA -0.224 57.187 58.100 -1.147 0.000 1.299 330 Y CB 0.588 38.249 38.460 -1.332 0.000 1.197 330 Y HN 0.218 nan 8.280 nan 0.000 0.517 331 D N 6.112 125.925 120.400 -0.977 0.000 2.428 331 D HA 0.021 4.660 4.640 -0.002 0.000 0.221 331 D C 0.823 176.504 176.300 -1.033 0.000 1.123 331 D CA -0.012 53.563 54.000 -0.709 0.000 0.869 331 D CB 0.779 41.338 40.800 -0.401 0.000 1.032 331 D HN 0.951 nan 8.370 nan 0.000 0.506 332 E N 2.093 121.819 120.200 -0.791 0.000 2.160 332 E HA -0.202 4.147 4.350 -0.002 0.000 0.195 332 E C 1.290 177.733 176.600 -0.263 0.000 0.991 332 E CA 1.090 57.184 56.400 -0.511 0.000 0.810 332 E CB 0.260 29.873 29.700 -0.145 0.000 0.742 332 E HN 0.415 nan 8.360 nan 0.000 0.466 333 S N -0.652 114.917 115.700 -0.219 0.000 2.603 333 S HA 0.005 4.474 4.470 -0.002 0.000 0.220 333 S C 1.578 176.114 174.600 -0.107 0.000 0.967 333 S CA 0.601 58.730 58.200 -0.119 0.000 0.920 333 S CB 0.398 63.545 63.200 -0.088 0.000 0.773 333 S HN 0.253 nan 8.310 nan 0.000 0.529 334 S N -0.859 114.742 115.700 -0.165 0.000 2.728 334 S HA 0.477 4.946 4.470 -0.002 0.000 0.257 334 S C 1.442 176.002 174.600 -0.067 0.000 1.060 334 S CA 0.478 58.619 58.200 -0.098 0.000 1.126 334 S CB -0.281 62.860 63.200 -0.099 0.000 1.099 334 S HN 1.379 nan 8.310 nan 0.000 0.617 335 G N 2.144 110.854 108.800 -0.149 0.000 2.233 335 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.270 335 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.270 335 G C 0.092 175.101 174.900 0.182 0.000 1.011 335 G CA 0.602 45.771 45.100 0.115 0.000 0.762 335 G HN 0.630 nan 8.290 nan 0.000 0.511 336 R N -1.940 118.510 120.500 -0.082 0.000 2.782 336 R HA 0.635 4.974 4.340 -0.002 0.000 0.258 336 R C -0.889 175.335 176.300 -0.126 0.000 1.055 336 R CA -0.813 55.309 56.100 0.036 0.000 1.065 336 R CB 0.968 31.283 30.300 0.025 0.000 1.172 336 R HN 0.159 nan 8.270 nan 0.000 0.510 337 W N 0.660 122.007 121.300 0.078 0.000 2.471 337 W HA 0.381 5.040 4.660 -0.002 0.000 0.318 337 W C -0.449 176.072 176.519 0.003 0.000 1.034 337 W CA -0.351 57.026 57.345 0.053 0.000 1.224 337 W CB 1.174 30.658 29.460 0.039 0.000 1.335 337 W HN 0.431 nan 8.180 nan 0.000 0.452 338 N N 2.087 120.869 118.700 0.137 0.000 2.314 338 N HA 0.621 5.360 4.740 -0.002 0.000 0.304 338 N C -1.514 174.045 175.510 0.081 0.000 1.073 338 N CA -0.715 52.380 53.050 0.076 0.000 0.822 338 N CB 1.407 39.897 38.487 0.005 0.000 1.280 338 N HN 0.170 nan 8.380 nan 0.000 0.489 339 c N 2.489 121.120 118.600 0.051 0.000 2.335 339 c HA 0.389 4.958 4.570 -0.002 0.000 0.318 339 c C 0.232 174.329 174.090 0.012 0.000 1.150 339 c CA -1.096 55.254 56.329 0.035 0.000 1.466 339 c CB -1.199 41.325 42.510 0.023 0.000 2.024 339 c HN 0.607 nan 8.230 nan 0.000 0.429 340 L N 2.559 123.790 121.223 0.014 0.000 2.453 340 L HA 0.095 4.434 4.340 -0.002 0.000 0.272 340 L C 1.490 178.352 176.870 -0.013 0.000 1.182 340 L CA 0.027 54.867 54.840 -0.000 0.000 0.858 340 L CB 0.674 42.736 42.059 0.006 0.000 1.120 340 L HN 0.588 nan 8.230 nan 0.000 0.474 341 V N 2.684 122.582 119.914 -0.027 0.000 2.490 341 V HA -0.277 3.842 4.120 -0.002 0.000 0.250 341 V C 2.291 178.349 176.094 -0.060 0.000 1.061 341 V CA 1.854 64.128 62.300 -0.043 0.000 1.064 341 V CB -0.841 30.957 31.823 -0.042 0.000 0.670 341 V HN 1.014 nan 8.190 nan 0.000 0.461 342 A N -0.004 122.788 122.820 -0.046 0.000 2.178 342 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 342 A C 2.252 179.789 177.584 -0.078 0.000 1.157 342 A CA 1.355 53.358 52.037 -0.056 0.000 0.689 342 A CB -0.386 18.597 19.000 -0.028 0.000 0.787 342 A HN 0.592 nan 8.150 nan 0.000 0.465 343 R N -1.241 119.226 120.500 -0.054 0.000 2.437 343 R HA 0.158 4.497 4.340 -0.002 0.000 0.257 343 R C 0.476 176.739 176.300 -0.062 0.000 0.927 343 R CA -0.188 55.907 56.100 -0.007 0.000 1.078 343 R CB 0.253 30.615 30.300 0.103 0.000 1.161 343 R HN 0.571 nan 8.270 nan 0.000 0.529 344 Q N 1.198 120.920 119.800 -0.129 0.000 2.296 344 Q HA 0.061 4.400 4.340 -0.002 0.000 0.262 344 Q C -1.099 174.763 176.000 -0.230 0.000 0.981 344 Q CA 0.165 55.915 55.803 -0.089 0.000 0.905 344 Q CB 0.515 29.212 28.738 -0.069 0.000 1.186 344 Q HN 0.207 nan 8.270 nan 0.000 0.399 345 H N 2.875 121.930 119.070 -0.025 0.000 2.495 345 H HA 0.447 5.001 4.556 -0.002 0.000 0.348 345 H C -0.647 174.639 175.328 -0.070 0.000 1.113 345 H CA -0.509 55.527 56.048 -0.019 0.000 1.195 345 H CB 1.189 30.934 29.762 -0.028 0.000 1.521 345 H HN 0.521 nan 8.280 nan 0.000 0.509 346 I N 1.638 122.225 120.570 0.027 0.000 2.460 346 I HA 0.275 4.444 4.170 -0.002 0.000 0.298 346 I C -0.029 176.042 176.117 -0.076 0.000 0.989 346 I CA -0.378 60.856 61.300 -0.110 0.000 1.173 346 I CB 1.585 39.497 38.000 -0.146 0.000 1.338 346 I HN 0.585 nan 8.210 nan 0.000 0.456 347 E N 7.783 127.883 120.200 -0.166 0.000 2.502 347 E HA 0.337 4.686 4.350 -0.002 0.000 0.261 347 E C -0.990 175.546 176.600 -0.107 0.000 0.974 347 E CA -0.508 55.847 56.400 -0.075 0.000 0.795 347 E CB 1.066 30.749 29.700 -0.029 0.000 1.385 347 E HN 0.628 nan 8.360 nan 0.000 0.400 348 M N 0.839 120.406 119.600 -0.055 0.000 2.840 348 M HA 0.707 5.186 4.480 -0.002 0.000 0.283 348 M C -0.536 175.789 176.300 0.042 0.000 1.136 348 M CA -0.854 54.458 55.300 0.020 0.000 0.857 348 M CB 1.846 34.528 32.600 0.137 0.000 1.644 348 M HN 0.212 nan 8.290 nan 0.000 0.520 349 S N -0.745 114.987 115.700 0.055 0.000 2.543 349 S HA 0.425 4.894 4.470 -0.002 0.000 0.273 349 S C -0.045 174.561 174.600 0.009 0.000 1.152 349 S CA 0.004 58.215 58.200 0.018 0.000 0.910 349 S CB 1.584 64.770 63.200 -0.023 0.000 1.105 349 S HN 0.920 nan 8.310 nan 0.000 0.465 350 T N -0.269 114.287 114.554 0.003 0.000 3.022 350 T HA 0.114 4.463 4.350 -0.002 0.000 0.250 350 T C 1.329 176.014 174.700 -0.025 0.000 1.060 350 T CA 0.916 63.015 62.100 -0.002 0.000 1.013 350 T CB -0.253 68.620 68.868 0.008 0.000 0.982 350 T HN 0.708 nan 8.240 nan 0.000 0.508 351 T N -2.298 112.233 114.554 -0.038 0.000 3.023 351 T HA 0.642 4.991 4.350 -0.002 0.000 0.253 351 T C 1.010 175.532 174.700 -0.296 0.000 1.038 351 T CA 0.246 62.323 62.100 -0.039 0.000 0.962 351 T CB 0.626 69.547 68.868 0.089 0.000 1.018 351 T HN 0.626 nan 8.240 nan 0.000 0.521 352 G N 0.470 108.922 108.800 -0.580 0.000 2.562 352 G HA2 0.472 4.431 3.960 -0.002 0.000 0.190 352 G HA3 0.472 4.431 3.960 -0.002 0.000 0.190 352 G C -1.596 173.013 174.900 -0.485 0.000 1.196 352 G CA -0.559 43.898 45.100 -1.070 0.000 0.986 352 G HN 0.444 nan 8.290 nan 0.000 0.512 353 W N -0.418 120.634 121.300 -0.414 0.000 2.181 353 W HA 0.786 5.445 4.660 -0.002 0.000 0.415 353 W C -0.319 176.168 176.519 -0.054 0.000 1.689 353 W CA -1.246 55.993 57.345 -0.177 0.000 1.859 353 W CB 0.409 29.747 29.460 -0.203 0.000 1.425 353 W HN 0.283 nan 8.180 nan 0.000 0.713 354 V N 2.280 122.307 119.914 0.189 0.000 2.472 354 V HA 0.715 4.834 4.120 -0.002 0.000 0.290 354 V C 0.744 176.940 176.094 0.171 0.000 1.037 354 V CA 0.286 62.647 62.300 0.101 0.000 0.908 354 V CB 0.279 32.151 31.823 0.082 0.000 0.985 354 V HN 1.253 nan 8.190 nan 0.000 0.454 355 G N 5.029 113.887 108.800 0.097 0.000 2.855 355 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.352 355 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.352 355 G C 0.381 175.389 174.900 0.180 0.000 1.415 355 G CA 0.399 45.577 45.100 0.129 0.000 0.871 355 G HN 0.700 nan 8.290 nan 0.000 0.543 356 R N -1.006 119.593 120.500 0.165 0.000 2.057 356 R HA 0.164 4.502 4.340 -0.002 0.000 0.229 356 R C 2.041 178.347 176.300 0.010 0.000 1.136 356 R CA 2.136 58.282 56.100 0.076 0.000 0.952 356 R CB -0.090 30.246 30.300 0.059 0.000 0.848 356 R HN 0.460 nan 8.270 nan 0.000 0.430 357 F N -0.906 119.206 119.950 0.271 0.000 2.834 357 F HA 0.272 4.798 4.527 -0.002 0.000 0.332 357 F C 0.189 176.026 175.800 0.063 0.000 1.056 357 F CA -0.454 57.640 58.000 0.156 0.000 1.178 357 F CB 0.785 39.871 39.000 0.142 0.000 1.037 357 F HN -0.117 nan 8.300 nan 0.000 0.580 358 R N -1.341 119.309 120.500 0.251 0.000 2.753 358 R HA 0.412 4.751 4.340 -0.002 0.000 0.272 358 R C -3.355 173.007 176.300 0.103 0.000 1.034 358 R CA -1.888 54.281 56.100 0.115 0.000 0.869 358 R CB 0.112 30.422 30.300 0.016 0.000 1.264 358 R HN -0.356 nan 8.270 nan 0.000 0.481 359 P HA -0.033 nan 4.420 nan 0.000 0.264 359 P C -0.299 177.019 177.300 0.031 0.000 1.183 359 P CA 0.134 63.253 63.100 0.033 0.000 0.763 359 P CB 0.718 32.410 31.700 -0.013 0.000 0.807 360 S N 2.207 117.941 115.700 0.057 0.000 2.593 360 S HA 0.125 4.594 4.470 -0.002 0.000 0.269 360 S C 0.238 174.852 174.600 0.022 0.000 1.334 360 S CA -0.736 57.511 58.200 0.078 0.000 1.015 360 S CB 0.329 63.606 63.200 0.129 0.000 0.912 360 S HN 0.461 nan 8.310 nan 0.000 0.541 361 E N 1.783 122.003 120.200 0.033 0.000 2.338 361 E HA 0.331 4.679 4.350 -0.002 0.000 0.272 361 E C -2.618 173.910 176.600 -0.120 0.000 1.029 361 E CA -2.153 54.209 56.400 -0.062 0.000 0.872 361 E CB -0.185 29.480 29.700 -0.059 0.000 1.015 361 E HN 0.486 nan 8.360 nan 0.000 0.417 362 P HA 0.240 nan 4.420 nan 0.000 0.284 362 P C -0.729 176.441 177.300 -0.216 0.000 1.258 362 P CA -0.388 62.596 63.100 -0.193 0.000 0.824 362 P CB 0.935 32.302 31.700 -0.555 0.000 1.038 363 H N 1.890 121.053 119.070 0.154 0.000 2.708 363 H HA 0.318 4.873 4.556 -0.002 0.000 0.320 363 H C -0.400 175.121 175.328 0.322 0.000 0.991 363 H CA -0.272 55.941 56.048 0.276 0.000 1.243 363 H CB 0.451 30.367 29.762 0.257 0.000 1.446 363 H HN 0.294 nan 8.280 nan 0.000 0.502 364 F N 1.613 121.770 119.950 0.346 0.000 2.379 364 F HA 0.127 4.653 4.527 -0.002 0.000 0.332 364 F C 1.544 177.553 175.800 0.349 0.000 1.096 364 F CA -0.556 57.657 58.000 0.354 0.000 1.105 364 F CB 1.192 40.327 39.000 0.225 0.000 1.189 364 F HN 0.359 nan 8.300 nan 0.000 0.515 365 T N 0.368 115.243 114.554 0.534 0.000 2.868 365 T HA 0.146 4.495 4.350 -0.002 0.000 0.292 365 T C 1.139 176.043 174.700 0.341 0.000 1.028 365 T CA -0.740 61.605 62.100 0.408 0.000 1.059 365 T CB 0.805 69.904 68.868 0.385 0.000 0.991 365 T HN 0.592 nan 8.240 nan 0.000 0.531 366 L N 1.510 122.883 121.223 0.250 0.000 2.103 366 L HA -0.133 4.206 4.340 -0.002 0.000 0.215 366 L C 2.045 179.031 176.870 0.195 0.000 1.080 366 L CA 2.587 57.548 54.840 0.202 0.000 0.764 366 L CB -1.047 41.104 42.059 0.153 0.000 0.890 366 L HN 0.974 nan 8.230 nan 0.000 0.435 367 D N -1.633 118.887 120.400 0.200 0.000 2.363 367 D HA 0.073 4.712 4.640 -0.002 0.000 0.226 367 D C 1.703 178.129 176.300 0.209 0.000 1.020 367 D CA 0.751 54.859 54.000 0.179 0.000 0.892 367 D CB -0.552 40.342 40.800 0.158 0.000 0.900 367 D HN 0.424 nan 8.370 nan 0.000 0.531 368 G N 0.680 109.653 108.800 0.288 0.000 2.196 368 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.268 368 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.268 368 G C 1.019 176.171 174.900 0.420 0.000 0.975 368 G CA 0.512 45.829 45.100 0.362 0.000 0.648 368 G HN 0.415 nan 8.290 nan 0.000 0.538 369 N N 0.300 119.185 118.700 0.308 0.000 2.467 369 N HA 0.134 4.873 4.740 -0.002 0.000 0.184 369 N C 0.980 176.612 175.510 0.203 0.000 1.106 369 N CA 1.235 54.428 53.050 0.239 0.000 0.892 369 N CB 0.332 38.914 38.487 0.158 0.000 0.969 369 N HN 0.922 nan 8.380 nan 0.000 0.454 370 S N -0.343 115.499 115.700 0.238 0.000 2.596 370 S HA 0.744 5.213 4.470 -0.002 0.000 0.270 370 S C -0.989 173.647 174.600 0.060 0.000 1.155 370 S CA -0.989 57.206 58.200 -0.008 0.000 0.827 370 S CB 1.716 64.820 63.200 -0.160 0.000 1.130 370 S HN 0.126 nan 8.310 nan 0.000 0.467 371 F N -1.647 118.083 119.950 -0.367 0.000 2.668 371 F HA 0.836 5.362 4.527 -0.002 0.000 0.309 371 F C -2.080 173.564 175.800 -0.261 0.000 1.117 371 F CA -1.503 56.254 58.000 -0.405 0.000 0.951 371 F CB 0.530 38.827 39.000 -1.172 0.000 1.323 371 F HN 0.603 nan 8.300 nan 0.000 0.451 372 Y N 1.163 121.613 120.300 0.250 0.000 2.457 372 Y HA 0.727 5.276 4.550 -0.002 0.000 0.333 372 Y C -0.150 175.939 175.900 0.316 0.000 1.119 372 Y CA -0.938 57.306 58.100 0.239 0.000 1.143 372 Y CB 2.028 40.593 38.460 0.174 0.000 1.230 372 Y HN 0.773 nan 8.280 nan 0.000 0.469 373 K N 2.300 122.938 120.400 0.396 0.000 2.572 373 K HA 0.459 4.778 4.320 -0.002 0.000 0.263 373 K C -2.034 174.722 176.600 0.258 0.000 0.932 373 K CA -0.498 55.988 56.287 0.331 0.000 0.838 373 K CB 1.523 34.187 32.500 0.274 0.000 1.366 373 K HN 0.733 nan 8.250 nan 0.000 0.425 374 I N 6.172 126.876 120.570 0.223 0.000 2.371 374 I HA 0.346 4.515 4.170 -0.002 0.000 0.290 374 I C 0.232 176.457 176.117 0.181 0.000 1.028 374 I CA -0.599 60.812 61.300 0.185 0.000 1.345 374 I CB 0.557 38.650 38.000 0.154 0.000 1.407 374 I HN 0.489 nan 8.210 nan 0.000 0.501 375 I N 1.855 122.559 120.570 0.223 0.000 2.994 375 I HA 0.474 4.643 4.170 -0.002 0.000 0.306 375 I C -0.312 175.937 176.117 0.220 0.000 1.195 375 I CA -0.770 60.654 61.300 0.206 0.000 1.001 375 I CB 2.156 40.290 38.000 0.223 0.000 1.244 375 I HN 0.377 nan 8.210 nan 0.000 0.437 376 S N 2.669 118.436 115.700 0.111 0.000 2.549 376 S HA 0.241 4.710 4.470 -0.002 0.000 0.283 376 S C -0.037 174.609 174.600 0.077 0.000 1.320 376 S CA -0.362 57.849 58.200 0.019 0.000 1.058 376 S CB -0.101 63.057 63.200 -0.071 0.000 0.882 376 S HN 0.847 nan 8.310 nan 0.000 0.498 377 N N 3.185 121.835 118.700 -0.083 0.000 2.593 377 N HA 0.249 4.988 4.740 -0.002 0.000 0.304 377 N C 0.599 176.029 175.510 -0.133 0.000 1.296 377 N CA -0.507 52.404 53.050 -0.232 0.000 0.950 377 N CB -0.298 37.659 38.487 -0.883 0.000 1.127 377 N HN 0.666 nan 8.380 nan 0.000 0.587 378 E N -0.776 119.336 120.200 -0.147 0.000 2.333 378 E HA -0.146 4.203 4.350 -0.002 0.000 0.198 378 E C 0.360 176.910 176.600 -0.083 0.000 1.007 378 E CA 0.998 57.349 56.400 -0.083 0.000 0.845 378 E CB -0.042 29.616 29.700 -0.071 0.000 0.766 378 E HN 0.616 nan 8.360 nan 0.000 0.507 379 E N -1.252 118.894 120.200 -0.090 0.000 2.476 379 E HA 0.110 4.459 4.350 -0.002 0.000 0.199 379 E C 0.952 177.497 176.600 -0.093 0.000 1.021 379 E CA 0.304 56.690 56.400 -0.023 0.000 0.907 379 E CB 1.064 30.817 29.700 0.089 0.000 0.974 379 E HN 0.292 nan 8.360 nan 0.000 0.489 380 G N 0.954 109.653 108.800 -0.169 0.000 2.175 380 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.244 380 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.244 380 G C -0.348 174.267 174.900 -0.476 0.000 0.982 380 G CA -0.266 44.633 45.100 -0.335 0.000 0.641 380 G HN 0.218 nan 8.290 nan 0.000 0.527 381 Y N 0.877 121.055 120.300 -0.204 0.000 2.320 381 Y HA 0.622 5.171 4.550 -0.002 0.000 0.334 381 Y C 1.235 176.991 175.900 -0.241 0.000 1.055 381 Y CA -0.754 57.209 58.100 -0.228 0.000 1.143 381 Y CB 0.885 39.213 38.460 -0.220 0.000 1.193 381 Y HN 0.082 nan 8.280 nan 0.000 0.477 382 R N 3.799 124.194 120.500 -0.175 0.000 2.316 382 R HA 0.248 4.586 4.340 -0.002 0.000 0.314 382 R C -0.642 175.439 176.300 -0.365 0.000 1.069 382 R CA 0.041 56.053 56.100 -0.147 0.000 0.959 382 R CB 0.165 30.423 30.300 -0.069 0.000 0.987 382 R HN 0.674 nan 8.270 nan 0.000 0.446 383 H N 1.567 120.621 119.070 -0.027 0.000 2.941 383 H HA 0.353 4.908 4.556 -0.002 0.000 0.344 383 H C -0.224 175.185 175.328 0.135 0.000 1.235 383 H CA -0.906 55.107 56.048 -0.058 0.000 1.149 383 H CB 1.561 31.181 29.762 -0.236 0.000 1.885 383 H HN 0.314 nan 8.280 nan 0.000 0.558 384 I N 1.285 121.970 120.570 0.192 0.000 2.371 384 I HA 0.082 4.251 4.170 -0.002 0.000 0.290 384 I C 0.274 176.453 176.117 0.103 0.000 1.028 384 I CA 0.009 61.383 61.300 0.124 0.000 1.345 384 I CB 0.484 38.474 38.000 -0.017 0.000 1.407 384 I HN 0.121 nan 8.210 nan 0.000 0.501 385 c N 6.854 125.440 118.600 -0.024 0.000 2.417 385 c HA 0.385 4.954 4.570 -0.002 0.000 0.324 385 c C -0.336 173.593 174.090 -0.269 0.000 1.240 385 c CA -0.605 55.477 56.329 -0.411 0.000 1.632 385 c CB 0.905 42.904 42.510 -0.850 0.000 2.241 385 c HN 0.719 nan 8.230 nan 0.000 0.499 386 Y N 4.321 124.265 120.300 -0.594 0.000 2.326 386 Y HA 0.599 5.148 4.550 -0.002 0.000 0.337 386 Y C -0.821 174.597 175.900 -0.804 0.000 1.023 386 Y CA -0.510 57.174 58.100 -0.694 0.000 1.143 386 Y CB 0.457 38.599 38.460 -0.530 0.000 1.183 386 Y HN 0.671 nan 8.280 nan 0.000 0.485 387 F N 3.466 122.639 119.950 -1.295 0.000 2.507 387 F HA 0.368 4.894 4.527 -0.002 0.000 0.327 387 F C -0.419 174.633 175.800 -1.247 0.000 1.068 387 F CA -0.937 56.265 58.000 -1.329 0.000 0.965 387 F CB 1.853 39.648 39.000 -2.009 0.000 1.192 387 F HN 0.364 nan 8.300 nan 0.000 0.476 388 Q N 2.395 121.873 119.800 -0.537 0.000 2.368 388 Q HA 0.335 4.673 4.340 -0.002 0.000 0.263 388 Q C 0.987 176.971 176.000 -0.027 0.000 1.009 388 Q CA -0.269 55.345 55.803 -0.314 0.000 0.818 388 Q CB 1.207 29.804 28.738 -0.234 0.000 1.239 388 Q HN 0.694 nan 8.270 nan 0.000 0.464 389 I N 0.033 120.660 120.570 0.096 0.000 2.285 389 I HA -0.296 3.873 4.170 -0.002 0.000 0.254 389 I C 0.455 176.797 176.117 0.375 0.000 1.093 389 I CA 1.837 63.347 61.300 0.350 0.000 1.368 389 I CB -0.037 38.172 38.000 0.349 0.000 1.054 389 I HN 0.475 nan 8.210 nan 0.000 0.435 390 D N 0.925 121.434 120.400 0.181 0.000 2.755 390 D HA 0.288 4.927 4.640 -0.002 0.000 0.257 390 D C -0.262 176.061 176.300 0.038 0.000 1.291 390 D CA -0.361 53.692 54.000 0.088 0.000 0.836 390 D CB 0.096 40.928 40.800 0.052 0.000 1.059 390 D HN 0.466 nan 8.370 nan 0.000 0.486 391 K N 0.341 120.795 120.400 0.089 0.000 2.535 391 K HA 0.250 4.569 4.320 -0.002 0.000 0.250 391 K C 0.314 176.967 176.600 0.089 0.000 0.948 391 K CA -0.780 55.522 56.287 0.026 0.000 0.796 391 K CB 2.125 34.605 32.500 -0.032 0.000 1.216 391 K HN -0.287 nan 8.250 nan 0.000 0.432 392 K N 1.040 121.436 120.400 -0.006 0.000 2.487 392 K HA 0.088 4.407 4.320 -0.002 0.000 0.192 392 K C -0.491 176.130 176.600 0.036 0.000 1.027 392 K CA 0.563 56.867 56.287 0.029 0.000 1.054 392 K CB 0.143 32.615 32.500 -0.046 0.000 0.824 392 K HN 0.510 nan 8.250 nan 0.000 0.510 393 D N 1.202 121.565 120.400 -0.062 0.000 2.481 393 D HA 0.108 4.747 4.640 -0.002 0.000 0.246 393 D C 0.115 176.191 176.300 -0.373 0.000 1.109 393 D CA -0.419 53.476 54.000 -0.174 0.000 0.845 393 D CB 1.631 42.354 40.800 -0.128 0.000 1.160 393 D HN 0.100 nan 8.370 nan 0.000 0.534 394 c N 0.850 119.045 118.600 -0.675 0.000 2.325 394 c HA 0.801 5.370 4.570 -0.002 0.000 0.370 394 c C 0.480 174.159 174.090 -0.686 0.000 1.217 394 c CA -0.399 55.315 56.329 -1.024 0.000 2.254 394 c CB 1.001 42.211 42.510 -2.166 0.000 2.282 394 c HN 0.455 nan 8.230 nan 0.000 0.564 395 T N 1.669 115.871 114.554 -0.587 0.000 2.786 395 T HA 0.481 4.830 4.350 -0.002 0.000 0.283 395 T C -0.755 173.737 174.700 -0.346 0.000 0.992 395 T CA 0.151 62.057 62.100 -0.323 0.000 0.954 395 T CB 0.313 69.125 68.868 -0.094 0.000 0.934 395 T HN 0.476 nan 8.240 nan 0.000 0.440 396 F N 3.604 123.434 119.950 -0.200 0.000 2.504 396 F HA 0.262 4.788 4.527 -0.002 0.000 0.369 396 F C 1.583 177.221 175.800 -0.270 0.000 1.082 396 F CA -0.851 57.018 58.000 -0.219 0.000 1.216 396 F CB 0.413 39.281 39.000 -0.220 0.000 1.108 396 F HN 0.561 nan 8.300 nan 0.000 0.554 397 I N 0.168 120.627 120.570 -0.185 0.000 3.928 397 I HA 0.295 4.464 4.170 -0.002 0.000 0.335 397 I C -0.069 175.859 176.117 -0.316 0.000 1.325 397 I CA 0.049 61.032 61.300 -0.528 0.000 1.107 397 I CB -0.217 37.158 38.000 -1.041 0.000 1.014 397 I HN 0.504 nan 8.210 nan 0.000 0.400 398 T N -0.494 113.942 114.554 -0.196 0.000 2.853 398 T HA 0.659 5.008 4.350 -0.002 0.000 0.311 398 T C -0.869 173.459 174.700 -0.620 0.000 1.307 398 T CA -0.683 61.295 62.100 -0.204 0.000 1.019 398 T CB 2.681 71.507 68.868 -0.070 0.000 1.264 398 T HN 0.537 nan 8.240 nan 0.000 0.497 399 K N 0.023 119.921 120.400 -0.837 0.000 2.672 399 K HA 0.791 5.110 4.320 -0.002 0.000 0.295 399 K C -0.290 175.740 176.600 -0.949 0.000 1.042 399 K CA -0.578 54.864 56.287 -1.408 0.000 0.869 399 K CB 1.119 33.163 32.500 -0.760 0.000 1.541 399 K HN 1.903 nan 8.250 nan 0.000 0.396 400 G N -0.185 108.111 108.800 -0.841 0.000 2.354 400 G HA2 0.074 4.033 3.960 -0.002 0.000 0.582 400 G HA3 0.074 4.033 3.960 -0.002 0.000 0.582 400 G C -0.783 173.623 174.900 -0.823 0.000 1.316 400 G CA -0.379 44.377 45.100 -0.574 0.000 0.995 400 G HN 1.179 nan 8.290 nan 0.000 0.573 401 T N -0.450 113.737 114.554 -0.612 0.000 3.766 401 T HA 0.586 4.934 4.350 -0.002 0.000 0.327 401 T C 0.185 174.679 174.700 -0.344 0.000 1.595 401 T CA 0.631 62.155 62.100 -0.960 0.000 1.204 401 T CB -0.920 67.618 68.868 -0.552 0.000 1.245 401 T HN 1.664 nan 8.240 nan 0.000 0.875 402 W N -0.089 121.021 121.300 -0.317 0.000 2.881 402 W HA 0.604 5.263 4.660 -0.002 0.000 0.380 402 W C -1.587 174.901 176.519 -0.051 0.000 1.170 402 W CA -0.953 56.359 57.345 -0.055 0.000 1.171 402 W CB 0.536 29.962 29.460 -0.056 0.000 1.464 402 W HN 0.256 nan 8.180 nan 0.000 0.574 403 E N 0.627 121.029 120.200 0.338 0.000 2.367 403 E HA 0.464 4.813 4.350 -0.002 0.000 0.273 403 E C -1.326 175.400 176.600 0.210 0.000 0.903 403 E CA -1.175 55.236 56.400 0.018 0.000 0.764 403 E CB 3.358 33.099 29.700 0.069 0.000 1.252 403 E HN 0.164 nan 8.360 nan 0.000 0.446 404 V N 3.556 123.476 119.914 0.011 0.000 2.432 404 V HA 0.025 4.144 4.120 -0.002 0.000 0.271 404 V C 1.255 177.436 176.094 0.145 0.000 1.046 404 V CA -0.142 62.246 62.300 0.147 0.000 0.945 404 V CB 0.568 32.394 31.823 0.005 0.000 0.992 404 V HN 0.680 nan 8.190 nan 0.000 0.471 405 I N 3.415 124.080 120.570 0.159 0.000 2.286 405 I HA 0.166 4.335 4.170 -0.002 0.000 0.245 405 I C 1.156 177.374 176.117 0.169 0.000 1.104 405 I CA 1.273 62.645 61.300 0.121 0.000 1.397 405 I CB -0.922 37.078 38.000 -0.001 0.000 1.072 405 I HN 0.753 nan 8.210 nan 0.000 0.417 406 G N 0.384 109.294 108.800 0.183 0.000 2.616 406 G HA2 0.490 4.449 3.960 -0.002 0.000 0.294 406 G HA3 0.490 4.449 3.960 -0.002 0.000 0.294 406 G C -1.199 173.805 174.900 0.174 0.000 1.489 406 G CA -0.617 44.595 45.100 0.188 0.000 0.836 406 G HN -0.034 nan 8.290 nan 0.000 0.527 407 I N 1.789 122.413 120.570 0.090 0.000 2.337 407 I HA 0.209 4.378 4.170 -0.002 0.000 0.291 407 I C 0.702 176.769 176.117 -0.083 0.000 1.046 407 I CA -0.501 60.741 61.300 -0.096 0.000 1.324 407 I CB 1.613 39.276 38.000 -0.561 0.000 1.409 407 I HN 0.510 nan 8.210 nan 0.000 0.494 408 E N 5.089 125.282 120.200 -0.012 0.000 2.307 408 E HA 0.305 4.654 4.350 -0.002 0.000 0.195 408 E C 0.183 176.664 176.600 -0.198 0.000 0.975 408 E CA 0.209 56.616 56.400 0.011 0.000 0.878 408 E CB 0.765 30.565 29.700 0.167 0.000 0.845 408 E HN 0.680 nan 8.360 nan 0.000 0.488 409 A N 0.560 123.186 122.820 -0.324 0.000 2.594 409 A HA 0.567 4.886 4.320 -0.002 0.000 0.296 409 A C -2.005 175.474 177.584 -0.175 0.000 1.056 409 A CA -0.678 51.115 52.037 -0.406 0.000 0.693 409 A CB 1.090 19.413 19.000 -1.128 0.000 1.278 409 A HN 0.043 nan 8.150 nan 0.000 0.408 410 L N 1.683 122.851 121.223 -0.090 0.000 2.409 410 L HA 0.839 5.177 4.340 -0.002 0.000 0.272 410 L C 0.179 177.064 176.870 0.025 0.000 0.980 410 L CA 0.485 55.302 54.840 -0.038 0.000 0.826 410 L CB 2.125 44.169 42.059 -0.025 0.000 1.268 410 L HN 1.201 nan 8.230 nan 0.000 0.407 411 T N -0.331 114.254 114.554 0.052 0.000 2.927 411 T HA 0.403 4.752 4.350 -0.002 0.000 0.286 411 T C 1.049 175.774 174.700 0.042 0.000 1.040 411 T CA 0.036 62.182 62.100 0.076 0.000 1.010 411 T CB 1.267 70.220 68.868 0.142 0.000 1.177 411 T HN 0.648 nan 8.240 nan 0.000 0.546 412 S N -0.334 115.392 115.700 0.044 0.000 2.469 412 S HA -0.080 4.388 4.470 -0.002 0.000 0.238 412 S C 0.641 175.205 174.600 -0.060 0.000 0.998 412 S CA 1.167 59.379 58.200 0.020 0.000 0.957 412 S CB -0.536 62.683 63.200 0.032 0.000 0.764 412 S HN 0.749 nan 8.310 nan 0.000 0.514 413 D N -1.116 119.213 120.400 -0.118 0.000 2.473 413 D HA 0.298 4.937 4.640 -0.002 0.000 0.230 413 D C -0.583 175.311 176.300 -0.676 0.000 1.097 413 D CA 0.367 54.137 54.000 -0.383 0.000 0.861 413 D CB 0.300 40.839 40.800 -0.435 0.000 1.114 413 D HN 0.427 nan 8.370 nan 0.000 0.500 414 Y N -0.095 120.145 120.300 -0.100 0.000 2.553 414 Y HA 0.529 5.078 4.550 -0.002 0.000 0.347 414 Y C -0.825 174.906 175.900 -0.281 0.000 1.019 414 Y CA -1.137 56.818 58.100 -0.241 0.000 1.032 414 Y CB 2.309 40.527 38.460 -0.403 0.000 1.284 414 Y HN -0.281 nan 8.280 nan 0.000 0.466 415 L N 2.703 123.807 121.223 -0.199 0.000 2.376 415 L HA 0.625 4.964 4.340 -0.002 0.000 0.275 415 L C -1.996 174.748 176.870 -0.211 0.000 0.987 415 L CA -0.626 54.084 54.840 -0.216 0.000 0.828 415 L CB 0.938 42.780 42.059 -0.362 0.000 1.249 415 L HN 0.605 nan 8.230 nan 0.000 0.409 416 Y N 4.919 125.131 120.300 -0.147 0.000 2.330 416 Y HA 0.547 5.096 4.550 -0.002 0.000 0.336 416 Y C -0.318 175.576 175.900 -0.010 0.000 1.036 416 Y CA -0.420 57.601 58.100 -0.132 0.000 1.125 416 Y CB 1.197 39.495 38.460 -0.270 0.000 1.194 416 Y HN 0.544 nan 8.280 nan 0.000 0.469 417 Y N 0.032 120.395 120.300 0.104 0.000 2.644 417 Y HA 0.847 5.396 4.550 -0.002 0.000 0.338 417 Y C -1.680 174.316 175.900 0.160 0.000 1.119 417 Y CA -2.017 56.140 58.100 0.095 0.000 1.060 417 Y CB 1.339 39.832 38.460 0.056 0.000 1.294 417 Y HN 0.423 nan 8.280 nan 0.000 0.472 418 I N 2.764 123.508 120.570 0.291 0.000 2.433 418 I HA 0.603 4.772 4.170 -0.002 0.000 0.292 418 I C -0.520 175.763 176.117 0.276 0.000 1.001 418 I CA -0.438 60.981 61.300 0.198 0.000 1.119 418 I CB 2.074 40.141 38.000 0.113 0.000 1.289 418 I HN 0.928 nan 8.210 nan 0.000 0.438 419 S N 3.393 119.226 115.700 0.222 0.000 2.794 419 S HA 0.494 4.963 4.470 -0.002 0.000 0.299 419 S C -0.686 173.944 174.600 0.051 0.000 1.179 419 S CA -0.801 57.498 58.200 0.166 0.000 0.838 419 S CB 1.773 65.069 63.200 0.159 0.000 1.206 419 S HN 0.633 nan 8.310 nan 0.000 0.523 420 N N -0.756 117.970 118.700 0.043 0.000 2.480 420 N HA 0.193 4.931 4.740 -0.002 0.000 0.281 420 N C 0.233 175.719 175.510 -0.040 0.000 1.381 420 N CA -0.447 52.602 53.050 -0.002 0.000 0.903 420 N CB 0.440 38.920 38.487 -0.011 0.000 1.274 420 N HN 0.814 nan 8.380 nan 0.000 0.505 421 E N -0.207 119.807 120.200 -0.309 0.000 2.112 421 E HA -0.141 4.208 4.350 -0.002 0.000 0.190 421 E C -0.380 176.070 176.600 -0.250 0.000 0.979 421 E CA 0.082 56.069 56.400 -0.688 0.000 0.814 421 E CB -0.002 28.603 29.700 -1.825 0.000 0.762 421 E HN 0.368 nan 8.360 nan 0.000 0.460 422 Y N 2.415 122.605 120.300 -0.183 0.000 2.802 422 Y HA -0.148 4.401 4.550 -0.002 0.000 0.333 422 Y C 0.352 176.227 175.900 -0.042 0.000 1.244 422 Y CA 0.840 58.901 58.100 -0.065 0.000 1.558 422 Y CB -0.040 38.421 38.460 0.000 0.000 1.233 422 Y HN 0.078 nan 8.280 nan 0.000 0.547 423 K N 3.457 123.636 120.400 -0.370 0.000 3.048 423 K HA -0.260 4.059 4.320 -0.002 0.000 0.274 423 K C 0.877 177.443 176.600 -0.055 0.000 1.098 423 K CA 0.812 56.927 56.287 -0.287 0.000 0.807 423 K CB -1.799 30.450 32.500 -0.417 0.000 1.217 423 K HN 1.262 nan 8.250 nan 0.000 0.477 424 G N 0.552 109.339 108.800 -0.023 0.000 2.225 424 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.267 424 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.267 424 G C 0.018 174.968 174.900 0.083 0.000 1.024 424 G CA 0.760 45.902 45.100 0.071 0.000 0.784 424 G HN 0.338 nan 8.290 nan 0.000 0.507 425 M N 0.049 119.615 119.600 -0.057 0.000 2.111 425 M HA 0.252 4.731 4.480 -0.002 0.000 0.351 425 M C -1.169 174.928 176.300 -0.338 0.000 1.214 425 M CA -2.024 53.083 55.300 -0.323 0.000 1.120 425 M CB 1.607 34.059 32.600 -0.247 0.000 1.443 425 M HN -0.134 nan 8.290 nan 0.000 0.429 426 P HA -0.105 nan 4.420 nan 0.000 0.218 426 P C 1.183 178.358 177.300 -0.209 0.000 1.148 426 P CA 1.047 63.998 63.100 -0.247 0.000 0.822 426 P CB 0.184 31.727 31.700 -0.261 0.000 0.784 427 G N -1.095 107.502 108.800 -0.339 0.000 3.210 427 G HA2 0.255 4.214 3.960 -0.002 0.000 0.220 427 G HA3 0.255 4.214 3.960 -0.002 0.000 0.220 427 G C 0.627 175.537 174.900 0.016 0.000 1.200 427 G CA 0.097 45.139 45.100 -0.096 0.000 0.834 427 G HN 0.369 nan 8.290 nan 0.000 0.524 428 G N -0.480 108.269 108.800 -0.086 0.000 2.471 428 G HA2 0.679 4.638 3.960 -0.002 0.000 0.332 428 G HA3 0.679 4.638 3.960 -0.002 0.000 0.332 428 G C -1.081 173.706 174.900 -0.188 0.000 1.176 428 G CA -0.883 44.194 45.100 -0.039 0.000 0.949 428 G HN 0.165 nan 8.290 nan 0.000 0.488 429 R N 0.127 120.506 120.500 -0.201 0.000 2.548 429 R HA 0.448 4.787 4.340 -0.002 0.000 0.280 429 R C -1.059 175.231 176.300 -0.015 0.000 1.061 429 R CA -0.670 55.283 56.100 -0.246 0.000 0.915 429 R CB 1.793 31.694 30.300 -0.664 0.000 1.210 429 R HN 0.575 nan 8.270 nan 0.000 0.442 430 N N 1.691 120.398 118.700 0.012 0.000 2.329 430 N HA 0.344 5.083 4.740 -0.002 0.000 0.282 430 N C -1.666 173.729 175.510 -0.193 0.000 1.198 430 N CA -0.812 52.157 53.050 -0.135 0.000 0.790 430 N CB 2.556 40.855 38.487 -0.313 0.000 1.579 430 N HN 0.266 nan 8.380 nan 0.000 0.475 431 L N 2.060 123.013 121.223 -0.450 0.000 2.305 431 L HA 0.450 4.789 4.340 -0.002 0.000 0.281 431 L C -1.358 175.123 176.870 -0.649 0.000 1.085 431 L CA 0.180 54.795 54.840 -0.375 0.000 0.813 431 L CB -0.195 41.656 42.059 -0.345 0.000 1.157 431 L HN 0.417 nan 8.230 nan 0.000 0.436 432 Y N 3.619 123.588 120.300 -0.551 0.000 2.570 432 Y HA 0.585 5.134 4.550 -0.002 0.000 0.345 432 Y C -0.394 175.135 175.900 -0.617 0.000 1.014 432 Y CA -0.844 56.833 58.100 -0.705 0.000 1.063 432 Y CB 1.784 39.538 38.460 -1.178 0.000 1.272 432 Y HN 0.500 nan 8.280 nan 0.000 0.477 433 K N 2.933 123.150 120.400 -0.305 0.000 2.507 433 K HA 0.611 4.930 4.320 -0.002 0.000 0.252 433 K C -1.943 174.586 176.600 -0.118 0.000 0.943 433 K CA -0.510 55.544 56.287 -0.389 0.000 0.808 433 K CB 1.661 33.806 32.500 -0.593 0.000 1.142 433 K HN 0.785 nan 8.250 nan 0.000 0.426 434 I N 2.859 123.440 120.570 0.018 0.000 2.530 434 I HA 0.248 4.417 4.170 -0.002 0.000 0.297 434 I C -0.740 175.511 176.117 0.223 0.000 1.011 434 I CA -0.730 60.672 61.300 0.170 0.000 1.107 434 I CB 1.854 39.989 38.000 0.226 0.000 1.285 434 I HN 0.723 nan 8.210 nan 0.000 0.436 435 Q N 6.350 126.286 119.800 0.227 0.000 2.323 435 Q HA 0.233 4.572 4.340 -0.002 0.000 0.257 435 Q C 0.385 176.369 176.000 -0.027 0.000 1.022 435 Q CA -0.345 55.488 55.803 0.051 0.000 0.919 435 Q CB 1.140 29.914 28.738 0.060 0.000 1.220 435 Q HN 0.841 nan 8.270 nan 0.000 0.427 436 L N 2.348 123.482 121.223 -0.149 0.000 2.129 436 L HA -0.232 4.107 4.340 -0.002 0.000 0.212 436 L C 1.808 178.534 176.870 -0.240 0.000 1.087 436 L CA 1.089 55.884 54.840 -0.075 0.000 0.757 436 L CB -0.260 41.718 42.059 -0.134 0.000 0.896 436 L HN 0.604 nan 8.230 nan 0.000 0.434 437 S N -1.956 113.586 115.700 -0.264 0.000 2.496 437 S HA -0.038 4.431 4.470 -0.002 0.000 0.224 437 S C 0.544 174.963 174.600 -0.303 0.000 0.996 437 S CA 0.403 58.443 58.200 -0.265 0.000 0.927 437 S CB 0.006 63.089 63.200 -0.195 0.000 0.774 437 S HN 0.377 nan 8.310 nan 0.000 0.524 438 D N -0.400 119.834 120.400 -0.277 0.000 2.365 438 D HA 0.136 4.775 4.640 -0.002 0.000 0.235 438 D C -0.564 175.700 176.300 -0.059 0.000 1.368 438 D CA -0.397 53.477 54.000 -0.209 0.000 1.001 438 D CB 0.282 41.026 40.800 -0.094 0.000 1.364 438 D HN -0.053 nan 8.370 nan 0.000 0.577 439 Y N 1.112 121.405 120.300 -0.013 0.000 2.574 439 Y HA -0.102 4.447 4.550 -0.002 0.000 0.294 439 Y C 2.601 178.518 175.900 0.029 0.000 1.142 439 Y CA 1.381 59.486 58.100 0.008 0.000 1.314 439 Y CB -0.753 37.708 38.460 0.002 0.000 0.991 439 Y HN 0.427 nan 8.280 nan 0.000 0.555 440 T N -3.110 111.533 114.554 0.149 0.000 3.085 440 T HA 0.005 4.354 4.350 -0.002 0.000 0.263 440 T C 0.711 175.469 174.700 0.096 0.000 1.127 440 T CA 0.171 62.333 62.100 0.105 0.000 1.103 440 T CB -0.140 68.763 68.868 0.059 0.000 0.921 440 T HN -0.174 nan 8.240 nan 0.000 0.510 441 K N 2.006 122.468 120.400 0.104 0.000 2.206 441 K HA 0.560 4.879 4.320 -0.002 0.000 0.268 441 K C -1.341 175.333 176.600 0.123 0.000 1.111 441 K CA -0.337 56.008 56.287 0.096 0.000 0.955 441 K CB 0.936 33.489 32.500 0.088 0.000 1.406 441 K HN 0.144 nan 8.250 nan 0.000 0.427 442 V N 2.459 122.439 119.914 0.109 0.000 2.483 442 V HA 0.411 4.530 4.120 -0.002 0.000 0.297 442 V C -0.334 175.802 176.094 0.070 0.000 1.027 442 V CA -0.784 61.589 62.300 0.121 0.000 0.855 442 V CB 2.143 34.074 31.823 0.180 0.000 0.995 442 V HN 0.591 nan 8.190 nan 0.000 0.424 443 T N 3.422 117.976 114.554 0.001 0.000 2.823 443 T HA 0.313 4.662 4.350 -0.002 0.000 0.279 443 T C -0.495 174.097 174.700 -0.180 0.000 0.998 443 T CA -0.286 61.766 62.100 -0.080 0.000 0.994 443 T CB 1.458 70.243 68.868 -0.137 0.000 0.960 443 T HN 0.763 nan 8.240 nan 0.000 0.448 444 C N 4.930 124.053 119.300 -0.295 0.000 2.285 444 C HA 0.493 4.952 4.460 -0.002 0.000 0.335 444 C C 1.458 176.113 174.990 -0.558 0.000 1.267 444 C CA -0.643 57.942 59.018 -0.722 0.000 1.762 444 C CB -1.699 25.516 27.740 -0.876 0.000 2.365 444 C HN 0.986 nan 8.230 nan 0.000 0.527 445 L N 4.751 125.626 121.223 -0.579 0.000 2.567 445 L HA 0.120 4.459 4.340 -0.002 0.000 0.225 445 L C 1.941 178.493 176.870 -0.529 0.000 1.119 445 L CA 0.651 55.233 54.840 -0.430 0.000 0.871 445 L CB -0.203 41.671 42.059 -0.309 0.000 1.036 445 L HN 0.892 nan 8.230 nan 0.000 0.459 446 S N -3.531 111.738 115.700 -0.719 0.000 2.631 446 S HA -0.008 4.460 4.470 -0.002 0.000 0.246 446 S C 1.789 175.955 174.600 -0.722 0.000 1.068 446 S CA -0.084 57.577 58.200 -0.898 0.000 0.995 446 S CB -0.278 62.011 63.200 -1.519 0.000 0.944 446 S HN 0.284 nan 8.310 nan 0.000 0.529 447 C N 2.939 121.793 119.300 -0.743 0.000 2.363 447 C HA -0.075 4.384 4.460 -0.002 0.000 0.274 447 C C 2.431 177.141 174.990 -0.467 0.000 1.183 447 C CA 1.396 59.914 59.018 -0.834 0.000 1.771 447 C CB -0.838 26.253 27.740 -1.083 0.000 2.059 447 C HN 0.628 nan 8.230 nan 0.000 0.455 448 E N 0.290 120.306 120.200 -0.308 0.000 2.481 448 E HA 0.154 4.503 4.350 -0.002 0.000 0.198 448 E C 1.909 178.459 176.600 -0.083 0.000 1.027 448 E CA 0.005 56.325 56.400 -0.133 0.000 0.900 448 E CB -0.345 29.296 29.700 -0.098 0.000 0.993 448 E HN 0.649 nan 8.360 nan 0.000 0.482 449 L N 0.792 121.951 121.223 -0.107 0.000 2.089 449 L HA -0.144 4.195 4.340 -0.002 0.000 0.213 449 L C 1.141 178.016 176.870 0.008 0.000 1.079 449 L CA 1.129 55.944 54.840 -0.041 0.000 0.758 449 L CB -0.274 41.768 42.059 -0.027 0.000 0.891 449 L HN 0.081 nan 8.230 nan 0.000 0.433 450 N N -1.798 116.921 118.700 0.032 0.000 3.091 450 N HA 0.042 4.781 4.740 -0.002 0.000 0.185 450 N C -2.025 173.516 175.510 0.051 0.000 1.398 450 N CA -0.590 52.479 53.050 0.033 0.000 0.938 450 N CB 0.507 39.010 38.487 0.026 0.000 1.605 450 N HN -0.183 nan 8.380 nan 0.000 0.597 451 P HA -0.207 nan 4.420 nan 0.000 0.218 451 P C 0.747 178.101 177.300 0.089 0.000 1.154 451 P CA 1.467 64.630 63.100 0.105 0.000 0.872 451 P CB 0.542 32.316 31.700 0.124 0.000 0.790 452 E N -0.469 119.761 120.200 0.050 0.000 2.107 452 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 452 E C 2.384 178.992 176.600 0.013 0.000 0.982 452 E CA 0.651 57.070 56.400 0.032 0.000 0.809 452 E CB -0.247 29.463 29.700 0.015 0.000 0.756 452 E HN 0.267 nan 8.360 nan 0.000 0.459 453 R N 0.010 120.507 120.500 -0.006 0.000 2.265 453 R HA 0.108 4.447 4.340 -0.002 0.000 0.194 453 R C -0.341 175.917 176.300 -0.071 0.000 0.931 453 R CA 0.234 56.307 56.100 -0.045 0.000 1.032 453 R CB 0.544 30.804 30.300 -0.067 0.000 0.980 453 R HN 0.037 nan 8.270 nan 0.000 0.497 454 c N 0.825 119.401 118.600 -0.039 0.000 2.407 454 c HA 0.399 4.968 4.570 -0.002 0.000 0.328 454 c C 0.212 174.304 174.090 0.003 0.000 1.137 454 c CA -0.689 55.564 56.329 -0.127 0.000 1.390 454 c CB 1.442 43.849 42.510 -0.172 0.000 1.989 454 c HN 0.528 nan 8.230 nan 0.000 0.432 455 Q N 0.323 120.113 119.800 -0.018 0.000 2.210 455 Q HA 0.169 4.507 4.340 -0.002 0.000 0.252 455 Q C -0.561 175.513 176.000 0.124 0.000 0.811 455 Q CA 0.259 56.135 55.803 0.120 0.000 0.953 455 Q CB 1.247 30.066 28.738 0.135 0.000 1.136 455 Q HN 0.786 nan 8.270 nan 0.000 0.491 456 Y N 0.808 121.026 120.300 -0.137 0.000 2.464 456 Y HA 0.344 4.893 4.550 -0.002 0.000 0.326 456 Y C -1.173 174.603 175.900 -0.206 0.000 0.969 456 Y CA -0.904 57.139 58.100 -0.096 0.000 1.270 456 Y CB 0.515 38.923 38.460 -0.085 0.000 1.103 456 Y HN -0.082 nan 8.280 nan 0.000 0.491 457 Y N 1.980 122.237 120.300 -0.071 0.000 2.534 457 Y HA 0.624 5.173 4.550 -0.002 0.000 0.329 457 Y C 0.184 176.071 175.900 -0.021 0.000 1.154 457 Y CA -0.491 57.584 58.100 -0.041 0.000 1.192 457 Y CB 2.183 40.585 38.460 -0.097 0.000 1.275 457 Y HN 0.416 nan 8.280 nan 0.000 0.491 458 S N 0.702 116.541 115.700 0.232 0.000 2.556 458 S HA 0.773 5.242 4.470 -0.002 0.000 0.271 458 S C -2.092 172.619 174.600 0.186 0.000 1.135 458 S CA -0.577 57.732 58.200 0.181 0.000 0.858 458 S CB 1.453 64.761 63.200 0.181 0.000 1.114 458 S HN 0.608 nan 8.310 nan 0.000 0.468 459 V N 2.064 122.080 119.914 0.169 0.000 3.078 459 V HA 0.935 5.054 4.120 -0.002 0.000 0.311 459 V C -1.054 175.149 176.094 0.182 0.000 1.138 459 V CA -0.237 62.141 62.300 0.129 0.000 1.007 459 V CB 2.359 34.203 31.823 0.035 0.000 1.045 459 V HN 0.987 nan 8.190 nan 0.000 0.432 460 S N 3.816 119.603 115.700 0.145 0.000 2.737 460 S HA 0.644 5.112 4.470 -0.002 0.000 0.269 460 S C -1.295 173.442 174.600 0.229 0.000 1.150 460 S CA -0.397 57.977 58.200 0.289 0.000 1.077 460 S CB 0.348 63.763 63.200 0.358 0.000 1.075 460 S HN 0.497 nan 8.310 nan 0.000 0.476 461 F N 2.879 122.871 119.950 0.070 0.000 2.370 461 F HA 0.495 5.021 4.527 -0.002 0.000 0.324 461 F C 1.423 176.839 175.800 -0.641 0.000 1.116 461 F CA -0.333 57.555 58.000 -0.186 0.000 1.123 461 F CB 1.242 40.102 39.000 -0.234 0.000 1.238 461 F HN 0.599 nan 8.300 nan 0.000 0.536 462 S N 0.877 116.028 115.700 -0.915 0.000 2.617 462 S HA 0.161 4.630 4.470 -0.002 0.000 0.259 462 S C 1.056 175.410 174.600 -0.408 0.000 1.301 462 S CA -0.725 56.647 58.200 -1.381 0.000 0.984 462 S CB 0.780 63.238 63.200 -1.237 0.000 0.954 462 S HN 0.559 nan 8.310 nan 0.000 0.572 463 K N 0.560 120.860 120.400 -0.166 0.000 2.293 463 K HA -0.095 4.224 4.320 -0.002 0.000 0.204 463 K C 0.960 177.560 176.600 0.001 0.000 1.045 463 K CA 1.797 58.090 56.287 0.009 0.000 0.933 463 K CB -0.260 32.301 32.500 0.102 0.000 0.736 463 K HN 0.787 nan 8.250 nan 0.000 0.463 464 E N -2.042 118.132 120.200 -0.044 0.000 2.876 464 E HA 0.319 4.668 4.350 -0.002 0.000 0.208 464 E C -0.429 176.141 176.600 -0.049 0.000 0.981 464 E CA 0.320 56.708 56.400 -0.020 0.000 1.174 464 E CB 0.937 30.642 29.700 0.008 0.000 1.047 464 E HN 0.176 nan 8.360 nan 0.000 0.477 465 A N 1.377 124.154 122.820 -0.072 0.000 2.905 465 A HA -0.316 4.003 4.320 -0.002 0.000 0.260 465 A C 1.323 178.888 177.584 -0.031 0.000 1.398 465 A CA 1.635 53.658 52.037 -0.024 0.000 0.840 465 A CB -1.950 16.951 19.000 -0.166 0.000 1.059 465 A HN 0.275 nan 8.150 nan 0.000 0.647 466 K N -1.947 118.386 120.400 -0.112 0.000 2.228 466 K HA 0.189 4.508 4.320 -0.002 0.000 0.202 466 K C 0.010 176.300 176.600 -0.518 0.000 1.051 466 K CA 1.286 57.416 56.287 -0.261 0.000 0.960 466 K CB 0.033 32.392 32.500 -0.235 0.000 0.743 466 K HN 0.674 nan 8.250 nan 0.000 0.458 467 Y N -1.086 119.117 120.300 -0.162 0.000 2.615 467 Y HA 0.318 4.867 4.550 -0.002 0.000 0.341 467 Y C -1.214 174.611 175.900 -0.124 0.000 1.089 467 Y CA -1.375 56.652 58.100 -0.122 0.000 1.049 467 Y CB 1.749 40.153 38.460 -0.095 0.000 1.296 467 Y HN -0.045 nan 8.280 nan 0.000 0.470 468 Y N -0.856 119.394 120.300 -0.084 0.000 2.436 468 Y HA 0.438 4.987 4.550 -0.002 0.000 0.327 468 Y C -1.238 174.653 175.900 -0.014 0.000 1.138 468 Y CA -1.457 56.446 58.100 -0.328 0.000 1.042 468 Y CB 1.206 38.944 38.460 -1.203 0.000 1.302 468 Y HN 0.615 nan 8.280 nan 0.000 0.439 469 Q N 4.454 124.370 119.800 0.192 0.000 2.274 469 Q HA 0.532 4.871 4.340 -0.002 0.000 0.256 469 Q C -1.613 174.486 176.000 0.165 0.000 0.927 469 Q CA -0.596 55.293 55.803 0.144 0.000 0.939 469 Q CB 1.173 29.983 28.738 0.120 0.000 1.201 469 Q HN 0.980 nan 8.270 nan 0.000 0.426 470 L N 4.522 125.866 121.223 0.203 0.000 2.307 470 L HA 0.511 4.850 4.340 -0.002 0.000 0.282 470 L C -0.230 176.760 176.870 0.201 0.000 1.051 470 L CA -0.557 54.413 54.840 0.215 0.000 0.804 470 L CB 1.294 43.477 42.059 0.206 0.000 1.197 470 L HN 0.646 nan 8.230 nan 0.000 0.431 471 R N 2.575 123.189 120.500 0.191 0.000 2.412 471 R HA 0.285 4.624 4.340 -0.002 0.000 0.304 471 R C -1.016 175.194 176.300 -0.150 0.000 1.066 471 R CA -0.512 55.587 56.100 -0.002 0.000 0.923 471 R CB 1.517 31.906 30.300 0.149 0.000 1.156 471 R HN 0.574 nan 8.270 nan 0.000 0.513 472 c N 2.699 121.063 118.600 -0.392 0.000 2.435 472 c HA 0.361 4.930 4.570 -0.002 0.000 0.375 472 c C 1.508 175.356 174.090 -0.402 0.000 1.281 472 c CA -0.189 55.775 56.329 -0.607 0.000 1.963 472 c CB 0.192 42.289 42.510 -0.688 0.000 2.490 472 c HN 0.957 nan 8.230 nan 0.000 0.557 473 S N 3.796 119.347 115.700 -0.247 0.000 2.749 473 S HA 0.612 5.081 4.470 -0.002 0.000 0.246 473 S C 0.255 174.809 174.600 -0.077 0.000 1.023 473 S CA 0.277 58.399 58.200 -0.129 0.000 1.012 473 S CB -0.148 63.023 63.200 -0.048 0.000 0.942 473 S HN 2.038 nan 8.310 nan 0.000 0.531 474 G N 1.855 110.592 108.800 -0.106 0.000 2.339 474 G HA2 0.344 4.303 3.960 -0.002 0.000 0.302 474 G HA3 0.344 4.303 3.960 -0.002 0.000 0.302 474 G C -3.075 171.802 174.900 -0.039 0.000 1.425 474 G CA -0.474 44.609 45.100 -0.029 0.000 0.899 474 G HN -0.116 nan 8.290 nan 0.000 0.619 475 P HA 0.146 nan 4.420 nan 0.000 0.237 475 P C 1.167 178.496 177.300 0.048 0.000 1.178 475 P CA 1.236 64.365 63.100 0.049 0.000 0.766 475 P CB 0.468 32.194 31.700 0.043 0.000 0.876 476 G N 0.177 108.932 108.800 -0.074 0.000 2.568 476 G HA2 0.460 4.419 3.960 -0.002 0.000 0.293 476 G HA3 0.460 4.419 3.960 -0.002 0.000 0.293 476 G C -0.360 174.282 174.900 -0.430 0.000 1.347 476 G CA -0.819 44.154 45.100 -0.212 0.000 1.039 476 G HN 0.016 nan 8.290 nan 0.000 0.523 477 L N 1.118 122.005 121.223 -0.560 0.000 2.483 477 L HA 0.139 4.478 4.340 -0.002 0.000 0.276 477 L C -1.846 174.825 176.870 -0.331 0.000 1.213 477 L CA -1.159 53.320 54.840 -0.601 0.000 0.843 477 L CB 0.571 42.370 42.059 -0.433 0.000 1.107 477 L HN 0.235 nan 8.230 nan 0.000 0.487 478 P HA 0.017 nan 4.420 nan 0.000 0.265 478 P C -0.945 176.165 177.300 -0.317 0.000 1.187 478 P CA 0.046 62.985 63.100 -0.269 0.000 0.766 478 P CB 0.540 32.151 31.700 -0.149 0.000 0.820 479 L N 5.001 125.942 121.223 -0.471 0.000 2.439 479 L HA 0.469 4.808 4.340 -0.002 0.000 0.270 479 L C -1.765 174.812 176.870 -0.488 0.000 0.972 479 L CA -0.669 53.962 54.840 -0.348 0.000 0.836 479 L CB 0.956 42.891 42.059 -0.207 0.000 1.255 479 L HN 0.235 nan 8.230 nan 0.000 0.404 480 Y N 2.769 123.015 120.300 -0.090 0.000 2.335 480 Y HA 0.732 5.280 4.550 -0.002 0.000 0.338 480 Y C 0.524 176.302 175.900 -0.203 0.000 0.977 480 Y CA -0.468 57.560 58.100 -0.120 0.000 1.114 480 Y CB 2.055 40.423 38.460 -0.152 0.000 1.182 480 Y HN 0.667 nan 8.280 nan 0.000 0.463 481 T N 1.012 115.544 114.554 -0.035 0.000 2.906 481 T HA 0.691 5.040 4.350 -0.002 0.000 0.295 481 T C -1.426 173.105 174.700 -0.281 0.000 1.061 481 T CA -0.865 61.121 62.100 -0.191 0.000 1.000 481 T CB 1.862 70.646 68.868 -0.141 0.000 1.103 481 T HN 0.417 nan 8.240 nan 0.000 0.486 482 L N 1.789 122.728 121.223 -0.473 0.000 2.334 482 L HA 0.698 5.037 4.340 -0.002 0.000 0.272 482 L C -0.577 175.852 176.870 -0.734 0.000 1.020 482 L CA -0.229 54.384 54.840 -0.379 0.000 0.812 482 L CB 1.161 43.094 42.059 -0.210 0.000 1.264 482 L HN 0.856 nan 8.230 nan 0.000 0.439 483 H N 0.604 119.468 119.070 -0.342 0.000 2.990 483 H HA 0.546 5.101 4.556 -0.002 0.000 0.343 483 H C -1.188 173.912 175.328 -0.380 0.000 1.270 483 H CA -0.726 55.012 56.048 -0.516 0.000 1.118 483 H CB 1.987 31.072 29.762 -1.127 0.000 1.861 483 H HN 0.564 nan 8.280 nan 0.000 0.544 484 S N -0.108 115.482 115.700 -0.182 0.000 2.502 484 S HA 0.277 4.746 4.470 -0.002 0.000 0.304 484 S C 0.459 174.985 174.600 -0.123 0.000 1.097 484 S CA -0.692 57.351 58.200 -0.262 0.000 1.045 484 S CB 1.960 65.026 63.200 -0.222 0.000 1.019 484 S HN 0.526 nan 8.310 nan 0.000 0.481 485 S N 1.894 117.533 115.700 -0.102 0.000 2.428 485 S HA -0.084 4.385 4.470 -0.002 0.000 0.230 485 S C 1.875 176.479 174.600 0.007 0.000 1.014 485 S CA 0.810 59.058 58.200 0.079 0.000 0.957 485 S CB -0.327 62.912 63.200 0.065 0.000 0.784 485 S HN 0.716 nan 8.310 nan 0.000 0.499 486 V N 3.726 123.595 119.914 -0.075 0.000 2.469 486 V HA -0.183 3.936 4.120 -0.002 0.000 0.251 486 V C 1.089 177.175 176.094 -0.012 0.000 1.064 486 V CA 2.237 64.517 62.300 -0.034 0.000 1.066 486 V CB -0.502 31.288 31.823 -0.054 0.000 0.667 486 V HN 0.845 nan 8.190 nan 0.000 0.461 487 N N -3.185 115.503 118.700 -0.019 0.000 2.167 487 N HA 0.071 4.810 4.740 -0.002 0.000 0.234 487 N C -0.276 175.230 175.510 -0.007 0.000 1.312 487 N CA 0.274 53.317 53.050 -0.011 0.000 0.861 487 N CB 0.548 39.031 38.487 -0.008 0.000 1.217 487 N HN 0.289 nan 8.380 nan 0.000 0.504 488 D N 0.492 120.903 120.400 0.020 0.000 2.792 488 D HA -0.147 4.492 4.640 -0.002 0.000 0.231 488 D C -0.520 175.790 176.300 0.017 0.000 1.160 488 D CA 1.312 55.343 54.000 0.051 0.000 0.697 488 D CB -0.485 40.324 40.800 0.015 0.000 1.070 488 D HN 0.371 nan 8.370 nan 0.000 0.426 489 K N 0.155 120.558 120.400 0.004 0.000 2.143 489 K HA 0.507 4.826 4.320 -0.002 0.000 0.272 489 K C 0.660 177.271 176.600 0.018 0.000 1.001 489 K CA -0.294 55.999 56.287 0.010 0.000 0.915 489 K CB 1.362 33.861 32.500 -0.003 0.000 1.047 489 K HN 0.075 nan 8.250 nan 0.000 0.458 490 G N 3.440 112.255 108.800 0.024 0.000 2.356 490 G HA2 0.141 4.100 3.960 -0.002 0.000 0.273 490 G HA3 0.141 4.100 3.960 -0.002 0.000 0.273 490 G C 0.700 175.504 174.900 -0.160 0.000 1.213 490 G CA -0.252 44.781 45.100 -0.111 0.000 0.955 490 G HN 0.622 nan 8.290 nan 0.000 0.454 491 L N 1.950 123.038 121.223 -0.225 0.000 2.072 491 L HA 0.195 4.534 4.340 -0.002 0.000 0.205 491 L C 1.711 178.504 176.870 -0.128 0.000 1.079 491 L CA 1.088 55.858 54.840 -0.118 0.000 0.752 491 L CB -0.330 41.688 42.059 -0.067 0.000 0.906 491 L HN 0.817 nan 8.230 nan 0.000 0.436 492 R N -2.553 117.818 120.500 -0.215 0.000 3.110 492 R HA 0.297 4.636 4.340 -0.002 0.000 0.287 492 R C -1.790 174.370 176.300 -0.234 0.000 0.969 492 R CA -0.936 55.059 56.100 -0.174 0.000 0.828 492 R CB 0.903 31.135 30.300 -0.113 0.000 1.354 492 R HN -0.281 nan 8.270 nan 0.000 0.524 493 V N 2.187 121.991 119.914 -0.184 0.000 2.439 493 V HA 0.285 4.403 4.120 -0.002 0.000 0.282 493 V C 1.040 176.980 176.094 -0.256 0.000 1.039 493 V CA -0.520 61.664 62.300 -0.192 0.000 0.913 493 V CB 1.334 33.084 31.823 -0.122 0.000 0.983 493 V HN 0.630 nan 8.190 nan 0.000 0.460 494 L N 2.449 123.446 121.223 -0.378 0.000 2.408 494 L HA 0.379 4.718 4.340 -0.002 0.000 0.215 494 L C 0.532 177.131 176.870 -0.451 0.000 1.081 494 L CA 0.518 54.945 54.840 -0.689 0.000 0.840 494 L CB 0.369 41.556 42.059 -1.454 0.000 1.002 494 L HN 0.692 nan 8.230 nan 0.000 0.468 495 E N -0.189 119.907 120.200 -0.172 0.000 2.397 495 E HA 0.099 4.448 4.350 -0.002 0.000 0.293 495 E C -1.168 175.478 176.600 0.077 0.000 0.930 495 E CA -0.237 56.182 56.400 0.032 0.000 0.793 495 E CB 1.092 30.897 29.700 0.174 0.000 1.259 495 E HN 0.126 nan 8.360 nan 0.000 0.406 496 D N 2.888 123.307 120.400 0.031 0.000 2.500 496 D HA 0.140 4.779 4.640 -0.002 0.000 0.218 496 D C -0.367 175.926 176.300 -0.011 0.000 1.140 496 D CA -0.123 53.872 54.000 -0.009 0.000 0.830 496 D CB 0.038 40.818 40.800 -0.034 0.000 1.055 496 D HN 0.422 nan 8.370 nan 0.000 0.512 497 N N 0.383 119.099 118.700 0.028 0.000 2.758 497 N HA -0.156 4.583 4.740 -0.002 0.000 0.248 497 N C 0.406 175.915 175.510 -0.003 0.000 1.076 497 N CA 0.802 53.864 53.050 0.021 0.000 0.696 497 N CB -1.420 37.063 38.487 -0.006 0.000 0.979 497 N HN 0.156 nan 8.380 nan 0.000 0.550 498 S N 0.064 115.767 115.700 0.005 0.000 2.356 498 S HA -0.107 4.361 4.470 -0.002 0.000 0.223 498 S C 2.139 176.747 174.600 0.013 0.000 1.032 498 S CA 1.230 59.430 58.200 0.000 0.000 1.005 498 S CB -0.059 63.144 63.200 0.005 0.000 0.867 498 S HN 0.688 nan 8.310 nan 0.000 0.449 499 A N 1.870 124.709 122.820 0.031 0.000 1.859 499 A HA -0.161 4.158 4.320 -0.002 0.000 0.217 499 A C 2.170 179.788 177.584 0.056 0.000 1.198 499 A CA 1.900 53.965 52.037 0.047 0.000 0.629 499 A CB -1.088 17.947 19.000 0.059 0.000 0.830 499 A HN 0.410 nan 8.150 nan 0.000 0.446 500 L N 0.350 121.610 121.223 0.062 0.000 2.013 500 L HA -0.219 4.120 4.340 -0.002 0.000 0.212 500 L C 2.037 178.919 176.870 0.021 0.000 1.073 500 L CA 2.974 57.859 54.840 0.075 0.000 0.753 500 L CB -0.878 41.226 42.059 0.076 0.000 0.890 500 L HN 0.565 nan 8.230 nan 0.000 0.432 501 D N -0.960 119.429 120.400 -0.018 0.000 2.158 501 D HA -0.256 4.383 4.640 -0.002 0.000 0.197 501 D C 2.183 178.469 176.300 -0.023 0.000 0.995 501 D CA 1.225 55.197 54.000 -0.047 0.000 0.846 501 D CB -0.092 40.673 40.800 -0.059 0.000 0.941 501 D HN 0.161 nan 8.370 nan 0.000 0.456 502 K N 0.031 120.433 120.400 0.002 0.000 2.002 502 K HA -0.124 4.195 4.320 -0.002 0.000 0.209 502 K C 2.184 178.798 176.600 0.024 0.000 1.048 502 K CA 1.128 57.424 56.287 0.014 0.000 0.930 502 K CB -0.399 32.117 32.500 0.027 0.000 0.714 502 K HN 0.308 nan 8.250 nan 0.000 0.438 503 M N 0.362 119.992 119.600 0.050 0.000 2.065 503 M HA -0.208 4.271 4.480 -0.002 0.000 0.259 503 M C 2.151 178.425 176.300 -0.043 0.000 1.069 503 M CA 1.248 56.596 55.300 0.079 0.000 1.110 503 M CB -0.373 32.357 32.600 0.216 0.000 1.328 503 M HN -0.002 nan 8.290 nan 0.000 0.405 504 L N 0.604 121.760 121.223 -0.111 0.000 2.349 504 L HA -0.204 4.135 4.340 -0.002 0.000 0.220 504 L C 2.545 179.358 176.870 -0.094 0.000 1.130 504 L CA 1.576 56.309 54.840 -0.179 0.000 0.791 504 L CB -0.891 41.099 42.059 -0.114 0.000 0.918 504 L HN 0.335 nan 8.230 nan 0.000 0.444 505 Q N -1.145 118.627 119.800 -0.048 0.000 2.167 505 Q HA -0.167 4.172 4.340 -0.002 0.000 0.202 505 Q C 1.627 177.623 176.000 -0.007 0.000 0.970 505 Q CA 1.112 56.902 55.803 -0.022 0.000 0.855 505 Q CB -0.434 28.301 28.738 -0.007 0.000 0.911 505 Q HN 0.654 nan 8.270 nan 0.000 0.438 506 N N 0.164 118.863 118.700 -0.002 0.000 2.322 506 N HA 0.104 4.843 4.740 -0.002 0.000 0.216 506 N C -1.020 174.505 175.510 0.026 0.000 1.144 506 N CA -0.211 52.854 53.050 0.025 0.000 0.830 506 N CB 0.582 39.098 38.487 0.049 0.000 1.034 506 N HN -0.134 nan 8.380 nan 0.000 0.484 507 V N 1.094 121.002 119.914 -0.011 0.000 2.789 507 V HA 0.182 4.301 4.120 -0.002 0.000 0.311 507 V C -0.337 175.761 176.094 0.007 0.000 1.073 507 V CA -0.844 61.458 62.300 0.003 0.000 0.921 507 V CB 1.991 33.770 31.823 -0.072 0.000 1.009 507 V HN 0.125 nan 8.190 nan 0.000 0.426 508 Q N 3.733 123.555 119.800 0.037 0.000 3.026 508 Q HA 0.295 4.634 4.340 -0.002 0.000 0.258 508 Q C -0.237 175.748 176.000 -0.025 0.000 1.388 508 Q CA -0.268 55.535 55.803 -0.001 0.000 1.000 508 Q CB 0.188 28.948 28.738 0.037 0.000 1.634 508 Q HN 0.527 nan 8.270 nan 0.000 0.571 509 M N 2.922 122.498 119.600 -0.041 0.000 2.252 509 M HA 0.172 4.651 4.480 -0.002 0.000 0.333 509 M C -1.805 174.437 176.300 -0.096 0.000 1.111 509 M CA -1.913 53.353 55.300 -0.056 0.000 1.140 509 M CB -0.445 32.129 32.600 -0.043 0.000 1.538 509 M HN 0.265 nan 8.290 nan 0.000 0.448 510 P HA 0.259 nan 4.420 nan 0.000 0.277 510 P C -0.930 176.289 177.300 -0.135 0.000 1.271 510 P CA -0.404 62.607 63.100 -0.147 0.000 0.795 510 P CB 0.711 32.306 31.700 -0.176 0.000 1.101 511 S N -1.017 114.590 115.700 -0.155 0.000 2.607 511 S HA 0.592 5.060 4.470 -0.002 0.000 0.303 511 S C -0.595 173.912 174.600 -0.155 0.000 1.086 511 S CA -0.833 57.290 58.200 -0.128 0.000 0.995 511 S CB 1.898 65.026 63.200 -0.119 0.000 1.084 511 S HN 0.525 nan 8.310 nan 0.000 0.507 512 K N 0.732 121.066 120.400 -0.110 0.000 2.376 512 K HA 0.476 4.795 4.320 -0.002 0.000 0.257 512 K C -1.360 175.192 176.600 -0.080 0.000 0.939 512 K CA -0.605 55.619 56.287 -0.104 0.000 0.809 512 K CB 1.124 33.579 32.500 -0.075 0.000 1.121 512 K HN 0.556 nan 8.250 nan 0.000 0.425 513 K N 4.536 124.882 120.400 -0.089 0.000 2.213 513 K HA 0.321 4.640 4.320 -0.002 0.000 0.270 513 K C -1.657 174.923 176.600 -0.034 0.000 1.002 513 K CA -0.725 55.527 56.287 -0.058 0.000 0.868 513 K CB 0.987 33.445 32.500 -0.070 0.000 1.093 513 K HN 0.487 nan 8.250 nan 0.000 0.454 514 L N 4.101 125.309 121.223 -0.025 0.000 2.342 514 L HA 0.575 4.914 4.340 -0.002 0.000 0.276 514 L C -1.196 175.676 176.870 0.004 0.000 0.997 514 L CA 0.207 55.051 54.840 0.007 0.000 0.838 514 L CB 1.137 43.246 42.059 0.084 0.000 1.224 514 L HN 0.853 nan 8.230 nan 0.000 0.416 515 D N 2.967 123.205 120.400 -0.270 0.000 3.344 515 D HA 0.587 5.225 4.640 -0.002 0.000 0.308 515 D C -1.502 174.393 176.300 -0.676 0.000 1.356 515 D CA 0.106 53.828 54.000 -0.465 0.000 0.998 515 D CB 1.313 41.802 40.800 -0.518 0.000 1.370 515 D HN 0.196 nan 8.370 nan 0.000 0.610 516 F N -0.427 119.194 119.950 -0.549 0.000 2.686 516 F HA 0.716 5.242 4.527 -0.002 0.000 0.311 516 F C -1.279 174.576 175.800 0.092 0.000 1.128 516 F CA -1.301 56.472 58.000 -0.377 0.000 0.946 516 F CB 0.340 38.690 39.000 -1.083 0.000 1.336 516 F HN 0.189 nan 8.300 nan 0.000 0.457 517 I N -0.129 120.796 120.570 0.591 0.000 2.892 517 I HA 0.770 4.939 4.170 -0.002 0.000 0.306 517 I C -1.297 175.045 176.117 0.375 0.000 1.078 517 I CA -1.707 59.861 61.300 0.446 0.000 1.032 517 I CB 2.079 40.275 38.000 0.326 0.000 1.229 517 I HN 0.624 nan 8.210 nan 0.000 0.435 518 I N 4.146 124.868 120.570 0.254 0.000 2.404 518 I HA 0.526 4.695 4.170 -0.002 0.000 0.293 518 I C -1.029 175.203 176.117 0.192 0.000 0.992 518 I CA -0.605 60.804 61.300 0.181 0.000 1.149 518 I CB 1.530 39.583 38.000 0.088 0.000 1.315 518 I HN 0.372 nan 8.210 nan 0.000 0.446 519 L N 6.235 127.626 121.223 0.280 0.000 2.404 519 L HA 0.443 4.782 4.340 -0.002 0.000 0.272 519 L C -0.568 176.425 176.870 0.205 0.000 0.980 519 L CA -0.776 54.203 54.840 0.232 0.000 0.836 519 L CB 1.506 43.719 42.059 0.257 0.000 1.238 519 L HN 0.611 nan 8.230 nan 0.000 0.408 520 N N 2.588 121.346 118.700 0.098 0.000 2.738 520 N HA -0.196 4.543 4.740 -0.002 0.000 0.249 520 N C 0.129 175.661 175.510 0.036 0.000 1.047 520 N CA 1.105 54.190 53.050 0.058 0.000 0.707 520 N CB -0.808 37.715 38.487 0.060 0.000 0.937 520 N HN 0.798 nan 8.380 nan 0.000 0.545 521 E N -5.031 115.181 120.200 0.020 0.000 3.680 521 E HA -0.241 4.108 4.350 -0.002 0.000 0.309 521 E C -0.234 176.327 176.600 -0.064 0.000 0.793 521 E CA 1.753 58.142 56.400 -0.018 0.000 1.083 521 E CB -2.319 27.368 29.700 -0.022 0.000 1.548 521 E HN 0.620 nan 8.360 nan 0.000 0.456 522 T N 0.887 115.403 114.554 -0.063 0.000 2.867 522 T HA 0.435 4.784 4.350 -0.002 0.000 0.282 522 T C 0.303 174.792 174.700 -0.352 0.000 1.000 522 T CA -0.607 61.345 62.100 -0.247 0.000 1.042 522 T CB 2.097 70.757 68.868 -0.348 0.000 0.973 522 T HN 0.028 nan 8.240 nan 0.000 0.465 523 K N 2.151 122.253 120.400 -0.497 0.000 2.258 523 K HA 0.412 4.731 4.320 -0.002 0.000 0.284 523 K C -1.378 174.885 176.600 -0.562 0.000 1.051 523 K CA -0.334 55.635 56.287 -0.531 0.000 0.923 523 K CB 0.320 32.400 32.500 -0.699 0.000 1.046 523 K HN 0.398 nan 8.250 nan 0.000 0.474 524 F N 3.902 123.822 119.950 -0.050 0.000 2.496 524 F HA 0.296 4.822 4.527 -0.002 0.000 0.341 524 F C -0.651 175.191 175.800 0.071 0.000 1.134 524 F CA -0.707 57.309 58.000 0.027 0.000 0.968 524 F CB 0.702 39.780 39.000 0.130 0.000 1.205 524 F HN 0.490 nan 8.300 nan 0.000 0.436 525 W N 3.846 125.271 121.300 0.208 0.000 2.126 525 W HA 0.436 5.095 4.660 -0.002 0.000 0.346 525 W C -0.420 176.247 176.519 0.247 0.000 1.279 525 W CA -0.135 57.342 57.345 0.220 0.000 1.259 525 W CB 0.289 29.832 29.460 0.138 0.000 1.133 525 W HN 0.458 nan 8.180 nan 0.000 0.592 526 Y N -0.984 119.642 120.300 0.544 0.000 2.624 526 Y HA 0.522 5.071 4.550 -0.002 0.000 0.334 526 Y C -1.127 175.008 175.900 0.392 0.000 1.155 526 Y CA -1.975 56.440 58.100 0.524 0.000 1.046 526 Y CB 0.775 39.729 38.460 0.823 0.000 1.316 526 Y HN 0.581 nan 8.280 nan 0.000 0.457 527 Q N 2.502 122.561 119.800 0.431 0.000 2.451 527 Q HA 0.828 5.167 4.340 -0.002 0.000 0.281 527 Q C -1.742 174.394 176.000 0.226 0.000 1.099 527 Q CA -1.254 54.680 55.803 0.218 0.000 0.806 527 Q CB 3.495 32.312 28.738 0.132 0.000 1.419 527 Q HN 0.844 nan 8.270 nan 0.000 0.427 528 M N 2.101 121.750 119.600 0.081 0.000 2.267 528 M HA 0.399 4.877 4.480 -0.002 0.000 0.289 528 M C -1.346 174.871 176.300 -0.139 0.000 1.043 528 M CA -0.873 54.396 55.300 -0.052 0.000 0.928 528 M CB 2.271 34.802 32.600 -0.115 0.000 1.613 528 M HN 0.607 nan 8.290 nan 0.000 0.450 529 I N 5.308 125.784 120.570 -0.156 0.000 2.269 529 I HA 0.305 4.474 4.170 -0.002 0.000 0.293 529 I C -0.261 175.691 176.117 -0.276 0.000 1.106 529 I CA -0.174 61.011 61.300 -0.192 0.000 1.248 529 I CB -0.337 37.565 38.000 -0.163 0.000 1.444 529 I HN 0.623 nan 8.210 nan 0.000 0.497 530 L N 8.311 129.316 121.223 -0.364 0.000 2.326 530 L HA 0.397 4.736 4.340 -0.002 0.000 0.278 530 L C -1.832 174.831 176.870 -0.344 0.000 1.092 530 L CA -1.686 52.838 54.840 -0.527 0.000 0.810 530 L CB 0.849 42.388 42.059 -0.866 0.000 1.153 530 L HN 0.257 nan 8.230 nan 0.000 0.439 531 P HA 0.154 nan 4.420 nan 0.000 0.271 531 P C -2.628 174.612 177.300 -0.100 0.000 1.233 531 P CA -1.367 61.643 63.100 -0.149 0.000 0.789 531 P CB -0.351 31.309 31.700 -0.067 0.000 0.951 532 P HA -0.023 nan 4.420 nan 0.000 0.268 532 P C 0.066 177.277 177.300 -0.149 0.000 1.208 532 P CA 0.650 63.601 63.100 -0.248 0.000 0.777 532 P CB -0.365 31.139 31.700 -0.327 0.000 0.875 533 H N -1.457 117.646 119.070 0.055 0.000 2.822 533 H HA -0.225 4.330 4.556 -0.002 0.000 0.295 533 H C 0.199 175.573 175.328 0.077 0.000 1.151 533 H CA 0.059 56.141 56.048 0.056 0.000 1.151 533 H CB -2.295 27.494 29.762 0.046 0.000 1.343 533 H HN 0.398 nan 8.280 nan 0.000 0.382 534 F N 2.680 122.610 119.950 -0.034 0.000 2.623 534 F HA 0.091 4.616 4.527 -0.002 0.000 0.386 534 F C 0.558 176.352 175.800 -0.011 0.000 1.068 534 F CA 0.151 58.076 58.000 -0.125 0.000 1.265 534 F CB 0.485 39.285 39.000 -0.334 0.000 1.026 534 F HN 0.146 nan 8.300 nan 0.000 0.568 535 D N 6.107 126.089 120.400 -0.696 0.000 2.481 535 D HA 0.177 4.816 4.640 -0.002 0.000 0.246 535 D C 0.207 176.056 176.300 -0.752 0.000 1.109 535 D CA -0.482 53.195 54.000 -0.538 0.000 0.845 535 D CB 1.460 42.157 40.800 -0.171 0.000 1.160 535 D HN 0.661 nan 8.370 nan 0.000 0.534 536 K N 1.080 121.106 120.400 -0.623 0.000 2.574 536 K HA -0.048 4.271 4.320 -0.002 0.000 0.193 536 K C 1.575 178.173 176.600 -0.003 0.000 1.035 536 K CA 0.500 56.648 56.287 -0.231 0.000 0.982 536 K CB 0.217 32.755 32.500 0.063 0.000 0.795 536 K HN 0.363 nan 8.250 nan 0.000 0.491 537 S N 0.184 115.839 115.700 -0.074 0.000 2.458 537 S HA 0.022 4.491 4.470 -0.002 0.000 0.223 537 S C 0.721 175.298 174.600 -0.039 0.000 1.019 537 S CA 0.057 58.238 58.200 -0.032 0.000 0.937 537 S CB 0.159 63.330 63.200 -0.048 0.000 0.788 537 S HN 0.090 nan 8.310 nan 0.000 0.511 538 K N 0.980 121.332 120.400 -0.079 0.000 2.109 538 K HA 0.437 4.756 4.320 -0.002 0.000 0.243 538 K C -0.544 176.005 176.600 -0.085 0.000 1.006 538 K CA -0.731 55.461 56.287 -0.158 0.000 0.917 538 K CB 0.474 32.759 32.500 -0.359 0.000 1.081 538 K HN -0.039 nan 8.250 nan 0.000 0.468 539 K N 1.878 122.177 120.400 -0.168 0.000 2.235 539 K HA 0.302 4.621 4.320 -0.002 0.000 0.266 539 K C -1.061 175.442 176.600 -0.162 0.000 0.980 539 K CA -0.447 55.816 56.287 -0.040 0.000 0.849 539 K CB 0.967 33.437 32.500 -0.050 0.000 1.098 539 K HN 0.444 nan 8.250 nan 0.000 0.445 540 Y N 2.730 123.076 120.300 0.077 0.000 2.446 540 Y HA 0.304 4.853 4.550 -0.002 0.000 0.338 540 Y C -1.800 174.056 175.900 -0.073 0.000 1.055 540 Y CA -2.257 55.861 58.100 0.030 0.000 1.101 540 Y CB 1.308 39.847 38.460 0.131 0.000 1.221 540 Y HN 0.431 nan 8.280 nan 0.000 0.460 541 P HA 0.155 nan 4.420 nan 0.000 0.275 541 P C -1.079 176.128 177.300 -0.155 0.000 1.228 541 P CA -0.165 62.679 63.100 -0.427 0.000 0.786 541 P CB 1.627 32.759 31.700 -0.946 0.000 0.927 542 L N 3.349 124.517 121.223 -0.093 0.000 2.362 542 L HA 0.494 4.833 4.340 -0.002 0.000 0.275 542 L C -1.162 175.907 176.870 0.331 0.000 0.998 542 L CA -1.262 53.652 54.840 0.123 0.000 0.820 542 L CB 1.725 43.848 42.059 0.107 0.000 1.270 542 L HN 0.174 nan 8.230 nan 0.000 0.415 543 L N 5.834 127.241 121.223 0.306 0.000 2.298 543 L HA 0.455 4.794 4.340 -0.002 0.000 0.284 543 L C -1.200 175.871 176.870 0.335 0.000 1.013 543 L CA -0.331 54.727 54.840 0.364 0.000 0.824 543 L CB 1.519 43.728 42.059 0.249 0.000 1.221 543 L HN 0.614 nan 8.230 nan 0.000 0.418 544 L N 5.306 126.773 121.223 0.406 0.000 2.312 544 L HA 0.366 4.705 4.340 -0.002 0.000 0.287 544 L C -0.251 176.830 176.870 0.352 0.000 1.091 544 L CA 0.269 55.329 54.840 0.367 0.000 0.846 544 L CB 0.157 42.468 42.059 0.420 0.000 1.219 544 L HN 0.617 nan 8.230 nan 0.000 0.439 545 D N 4.284 124.880 120.400 0.327 0.000 2.338 545 D HA 0.206 4.845 4.640 -0.002 0.000 0.255 545 D C -0.868 175.503 176.300 0.118 0.000 1.237 545 D CA 0.161 54.294 54.000 0.221 0.000 0.883 545 D CB 0.839 41.819 40.800 0.299 0.000 1.087 545 D HN 0.284 nan 8.370 nan 0.000 0.485 546 V N 5.309 125.211 119.914 -0.020 0.000 2.823 546 V HA 0.315 4.434 4.120 -0.002 0.000 0.312 546 V C -0.161 176.013 176.094 0.133 0.000 1.072 546 V CA -0.678 61.676 62.300 0.090 0.000 0.937 546 V CB 1.870 33.746 31.823 0.089 0.000 1.013 546 V HN 0.637 nan 8.190 nan 0.000 0.430 547 Y N 2.773 123.132 120.300 0.099 0.000 3.284 547 Y HA 0.519 5.068 4.550 -0.002 0.000 0.165 547 Y C 1.576 177.596 175.900 0.199 0.000 0.881 547 Y CA 0.939 59.124 58.100 0.142 0.000 1.837 547 Y CB 0.273 38.800 38.460 0.111 0.000 1.398 547 Y HN 0.737 nan 8.280 nan 0.000 0.336 548 A N 1.176 124.082 122.820 0.143 0.000 2.847 548 A HA -0.165 4.154 4.320 -0.002 0.000 0.263 548 A C 0.814 178.192 177.584 -0.342 0.000 1.391 548 A CA 0.919 52.974 52.037 0.030 0.000 0.866 548 A CB -2.469 16.615 19.000 0.140 0.000 1.057 548 A HN 0.967 nan 8.150 nan 0.000 0.673 549 G N -0.962 107.397 108.800 -0.735 0.000 2.667 549 G HA2 0.467 4.426 3.960 -0.002 0.000 0.250 549 G HA3 0.467 4.426 3.960 -0.002 0.000 0.250 549 G C -2.225 172.350 174.900 -0.541 0.000 1.212 549 G CA -0.722 43.609 45.100 -1.281 0.000 0.874 549 G HN 0.326 nan 8.290 nan 0.000 0.561 550 P HA 0.109 nan 4.420 nan 0.000 0.268 550 P C 0.551 177.725 177.300 -0.210 0.000 1.204 550 P CA 0.067 62.916 63.100 -0.419 0.000 0.768 550 P CB 0.836 31.931 31.700 -1.008 0.000 0.842 551 C N 2.445 121.677 119.300 -0.114 0.000 4.397 551 C HA -0.156 4.303 4.460 -0.002 0.000 0.291 551 C C 1.093 176.057 174.990 -0.044 0.000 1.408 551 C CA 1.113 60.015 59.018 -0.195 0.000 1.971 551 C CB -2.755 24.722 27.740 -0.438 0.000 1.258 551 C HN 0.807 nan 8.230 nan 0.000 0.795 552 S N -0.267 115.486 115.700 0.088 0.000 2.671 552 S HA 0.620 5.089 4.470 -0.002 0.000 0.272 552 S C -0.505 174.226 174.600 0.218 0.000 1.174 552 S CA 0.446 58.796 58.200 0.251 0.000 1.004 552 S CB 1.481 64.907 63.200 0.377 0.000 1.077 552 S HN 1.005 nan 8.310 nan 0.000 0.553 553 Q N -0.572 119.391 119.800 0.273 0.000 2.643 553 Q HA 0.284 4.623 4.340 -0.002 0.000 0.225 553 Q C -0.844 175.287 176.000 0.219 0.000 0.786 553 Q CA -0.529 55.435 55.803 0.267 0.000 0.953 553 Q CB 0.807 29.775 28.738 0.384 0.000 1.517 553 Q HN 0.634 nan 8.270 nan 0.000 0.457 554 K N 0.655 121.182 120.400 0.211 0.000 2.361 554 K HA 0.317 4.636 4.320 -0.002 0.000 0.194 554 K C -0.025 176.680 176.600 0.175 0.000 1.032 554 K CA 0.574 56.974 56.287 0.188 0.000 1.048 554 K CB 1.172 33.809 32.500 0.227 0.000 0.842 554 K HN 0.485 nan 8.250 nan 0.000 0.526 555 A N 2.851 125.786 122.820 0.192 0.000 2.256 555 A HA 0.436 4.754 4.320 -0.002 0.000 0.317 555 A C -0.707 176.949 177.584 0.120 0.000 1.318 555 A CA -0.513 51.636 52.037 0.185 0.000 0.894 555 A CB 0.176 19.340 19.000 0.273 0.000 1.165 555 A HN 0.261 nan 8.150 nan 0.000 0.525 556 D N -0.040 120.406 120.400 0.076 0.000 2.825 556 D HA 0.381 5.020 4.640 -0.002 0.000 0.327 556 D C 0.356 176.670 176.300 0.024 0.000 1.277 556 D CA 0.349 54.383 54.000 0.057 0.000 0.950 556 D CB 0.183 41.032 40.800 0.081 0.000 1.438 556 D HN 0.221 nan 8.370 nan 0.000 0.526 557 T N -2.277 112.313 114.554 0.059 0.000 3.145 557 T HA 0.346 4.695 4.350 -0.002 0.000 0.255 557 T C 0.338 175.006 174.700 -0.053 0.000 1.039 557 T CA -0.341 61.786 62.100 0.044 0.000 0.928 557 T CB -0.627 68.319 68.868 0.130 0.000 1.029 557 T HN 0.271 nan 8.240 nan 0.000 0.554 558 V N 2.635 122.400 119.914 -0.248 0.000 2.614 558 V HA 0.363 4.482 4.120 -0.002 0.000 0.291 558 V C 0.038 176.070 176.094 -0.102 0.000 1.049 558 V CA -0.979 61.144 62.300 -0.295 0.000 1.038 558 V CB 0.233 31.741 31.823 -0.524 0.000 0.980 558 V HN 0.578 nan 8.190 nan 0.000 0.481 559 F N 6.320 126.176 119.950 -0.157 0.000 2.410 559 F HA 0.626 5.152 4.527 -0.002 0.000 0.348 559 F C 0.387 176.131 175.800 -0.093 0.000 1.106 559 F CA -0.252 57.681 58.000 -0.112 0.000 1.163 559 F CB 0.390 39.331 39.000 -0.098 0.000 1.129 559 F HN 0.429 nan 8.300 nan 0.000 0.516 560 R N 6.190 126.141 120.500 -0.914 0.000 2.771 560 R HA 0.570 4.909 4.340 -0.002 0.000 0.274 560 R C -1.650 174.210 176.300 -0.734 0.000 0.987 560 R CA -1.106 54.624 56.100 -0.616 0.000 0.908 560 R CB 2.185 32.312 30.300 -0.289 0.000 1.213 560 R HN 0.681 nan 8.270 nan 0.000 0.468 561 L N 3.544 124.562 121.223 -0.342 0.000 2.384 561 L HA 0.401 4.740 4.340 -0.002 0.000 0.261 561 L C -0.274 176.595 176.870 -0.002 0.000 1.024 561 L CA -0.342 54.367 54.840 -0.219 0.000 0.899 561 L CB 0.378 42.472 42.059 0.060 0.000 1.243 561 L HN 0.795 nan 8.230 nan 0.000 0.449 562 N N -0.726 117.868 118.700 -0.177 0.000 3.439 562 N HA 0.216 4.955 4.740 -0.002 0.000 0.343 562 N C 0.267 175.360 175.510 -0.696 0.000 1.597 562 N CA -0.919 51.930 53.050 -0.335 0.000 0.733 562 N CB 0.660 39.074 38.487 -0.122 0.000 1.973 562 N HN 0.244 nan 8.380 nan 0.000 0.646 563 W N 0.779 121.442 121.300 -1.061 0.000 2.363 563 W HA 0.068 4.726 4.660 -0.002 0.000 0.296 563 W C 2.306 178.720 176.519 -0.174 0.000 1.212 563 W CA 2.144 59.091 57.345 -0.663 0.000 1.260 563 W CB -0.806 28.416 29.460 -0.397 0.000 1.131 563 W HN 0.693 nan 8.180 nan 0.000 0.530 564 A N -0.534 122.217 122.820 -0.114 0.000 1.933 564 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 564 A C 1.964 179.398 177.584 -0.250 0.000 1.175 564 A CA 2.463 54.377 52.037 -0.204 0.000 0.628 564 A CB -1.319 17.647 19.000 -0.057 0.000 0.814 564 A HN 0.273 nan 8.150 nan 0.000 0.444 565 T N -1.113 113.291 114.554 -0.250 0.000 2.665 565 T HA -0.256 4.092 4.350 -0.002 0.000 0.268 565 T C 1.780 176.393 174.700 -0.145 0.000 1.035 565 T CA 1.931 63.843 62.100 -0.314 0.000 1.151 565 T CB -0.537 67.957 68.868 -0.624 0.000 0.862 565 T HN 0.728 nan 8.240 nan 0.000 0.438 566 Y N 1.697 121.962 120.300 -0.058 0.000 2.200 566 Y HA 0.004 4.553 4.550 -0.002 0.000 0.290 566 Y C 2.010 177.867 175.900 -0.072 0.000 1.137 566 Y CA 0.962 59.127 58.100 0.109 0.000 1.163 566 Y CB -0.550 38.027 38.460 0.194 0.000 0.988 566 Y HN 0.098 nan 8.280 nan 0.000 0.518 567 L N 0.421 121.128 121.223 -0.860 0.000 2.127 567 L HA -0.214 4.125 4.340 -0.002 0.000 0.211 567 L C 2.765 179.342 176.870 -0.489 0.000 1.089 567 L CA 1.245 55.528 54.840 -0.928 0.000 0.757 567 L CB -0.821 40.748 42.059 -0.816 0.000 0.899 567 L HN 0.471 nan 8.230 nan 0.000 0.434 568 A N -1.398 121.223 122.820 -0.332 0.000 1.911 568 A HA -0.120 4.199 4.320 -0.002 0.000 0.212 568 A C 2.483 179.983 177.584 -0.139 0.000 1.189 568 A CA 1.323 53.234 52.037 -0.210 0.000 0.639 568 A CB -0.451 18.423 19.000 -0.209 0.000 0.839 568 A HN 0.281 nan 8.150 nan 0.000 0.449 569 S N -0.900 114.734 115.700 -0.110 0.000 2.348 569 S HA -0.125 4.344 4.470 -0.002 0.000 0.221 569 S C 2.019 176.637 174.600 0.030 0.000 1.033 569 S CA 2.401 60.595 58.200 -0.009 0.000 1.010 569 S CB -0.375 62.880 63.200 0.091 0.000 0.891 569 S HN 0.570 nan 8.310 nan 0.000 0.442 570 T N 1.332 115.890 114.554 0.007 0.000 2.925 570 T HA 0.156 4.505 4.350 -0.002 0.000 0.245 570 T C 1.411 176.100 174.700 -0.019 0.000 1.025 570 T CA 0.575 62.707 62.100 0.054 0.000 1.149 570 T CB -0.189 68.811 68.868 0.221 0.000 0.866 570 T HN 0.301 nan 8.240 nan 0.000 0.437 571 E N 1.545 121.634 120.200 -0.184 0.000 2.502 571 E HA 0.109 4.458 4.350 -0.002 0.000 0.194 571 E C -0.006 176.574 176.600 -0.033 0.000 1.062 571 E CA -0.055 56.273 56.400 -0.120 0.000 0.867 571 E CB -0.604 28.948 29.700 -0.246 0.000 0.888 571 E HN 0.573 nan 8.360 nan 0.000 0.510 572 N N 0.667 119.358 118.700 -0.015 0.000 2.727 572 N HA -0.198 4.541 4.740 -0.002 0.000 0.249 572 N C -0.695 174.891 175.510 0.127 0.000 1.048 572 N CA 0.151 53.258 53.050 0.095 0.000 0.714 572 N CB -1.161 37.438 38.487 0.187 0.000 0.959 572 N HN 0.230 nan 8.380 nan 0.000 0.544 573 I N 0.894 121.460 120.570 -0.006 0.000 2.392 573 I HA 0.336 4.505 4.170 -0.002 0.000 0.295 573 I C 0.599 176.677 176.117 -0.066 0.000 0.985 573 I CA -0.811 60.497 61.300 0.014 0.000 1.221 573 I CB 1.412 39.412 38.000 -0.001 0.000 1.366 573 I HN 0.018 nan 8.210 nan 0.000 0.467 574 I N 6.412 126.956 120.570 -0.042 0.000 2.301 574 I HA 0.157 4.326 4.170 -0.002 0.000 0.292 574 I C -0.333 175.740 176.117 -0.073 0.000 1.046 574 I CA -0.485 60.734 61.300 -0.136 0.000 1.282 574 I CB 0.876 38.786 38.000 -0.151 0.000 1.409 574 I HN 0.219 nan 8.210 nan 0.000 0.484 575 V N 6.738 126.597 119.914 -0.092 0.000 2.364 575 V HA 0.562 4.681 4.120 -0.002 0.000 0.272 575 V C 0.561 176.647 176.094 -0.013 0.000 1.036 575 V CA -0.337 61.958 62.300 -0.008 0.000 0.880 575 V CB 0.946 32.767 31.823 -0.004 0.000 0.991 575 V HN 0.823 nan 8.190 nan 0.000 0.460 576 A N 4.250 127.079 122.820 0.014 0.000 2.354 576 A HA 0.943 5.262 4.320 -0.002 0.000 0.321 576 A C -0.189 177.500 177.584 0.174 0.000 1.125 576 A CA -0.528 51.499 52.037 -0.017 0.000 0.799 576 A CB 1.784 20.547 19.000 -0.394 0.000 1.293 576 A HN 0.684 nan 8.150 nan 0.000 0.452 577 S N -0.409 115.456 115.700 0.275 0.000 2.546 577 S HA 0.752 5.220 4.470 -0.002 0.000 0.274 577 S C -1.544 173.403 174.600 0.578 0.000 1.121 577 S CA -0.298 58.125 58.200 0.372 0.000 0.887 577 S CB 1.353 64.719 63.200 0.278 0.000 1.094 577 S HN 0.788 nan 8.310 nan 0.000 0.474 578 F N 1.807 121.986 119.950 0.383 0.000 2.561 578 F HA 0.438 4.964 4.527 -0.002 0.000 0.313 578 F C -1.530 174.470 175.800 0.333 0.000 1.126 578 F CA -0.666 57.588 58.000 0.423 0.000 0.918 578 F CB 1.481 40.718 39.000 0.395 0.000 1.199 578 F HN 0.412 nan 8.300 nan 0.000 0.444 579 D N 4.953 125.167 120.400 -0.310 0.000 2.467 579 D HA 0.317 4.956 4.640 -0.002 0.000 0.220 579 D C 0.421 176.496 176.300 -0.375 0.000 1.103 579 D CA 0.118 54.026 54.000 -0.154 0.000 0.886 579 D CB 1.412 42.251 40.800 0.065 0.000 1.025 579 D HN 0.753 nan 8.370 nan 0.000 0.514 580 G N 1.270 109.971 108.800 -0.165 0.000 2.630 580 G HA2 0.243 4.202 3.960 -0.002 0.000 0.223 580 G HA3 0.243 4.202 3.960 -0.002 0.000 0.223 580 G C 0.221 175.179 174.900 0.096 0.000 1.434 580 G CA -0.710 44.322 45.100 -0.113 0.000 1.057 580 G HN 0.291 nan 8.290 nan 0.000 0.570 581 R N -0.657 119.879 120.500 0.061 0.000 2.585 581 R HA 0.356 4.695 4.340 -0.002 0.000 0.275 581 R C 1.234 177.641 176.300 0.179 0.000 1.018 581 R CA 1.397 57.615 56.100 0.196 0.000 1.072 581 R CB 0.387 30.781 30.300 0.156 0.000 0.953 581 R HN 1.046 nan 8.270 nan 0.000 0.419 582 G N 1.146 110.040 108.800 0.157 0.000 2.234 582 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.235 582 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.235 582 G C 0.184 175.116 174.900 0.053 0.000 0.997 582 G CA 0.147 45.314 45.100 0.112 0.000 0.623 582 G HN 0.719 nan 8.290 nan 0.000 0.514 583 S N 0.282 116.026 115.700 0.073 0.000 2.608 583 S HA 0.657 5.126 4.470 -0.002 0.000 0.261 583 S C 0.883 175.462 174.600 -0.035 0.000 1.314 583 S CA 0.455 58.684 58.200 0.047 0.000 0.992 583 S CB 1.705 64.967 63.200 0.104 0.000 0.935 583 S HN 1.667 nan 8.310 nan 0.000 0.564 584 G N -1.300 107.425 108.800 -0.125 0.000 2.705 584 G HA2 0.500 4.459 3.960 -0.002 0.000 0.299 584 G HA3 0.500 4.459 3.960 -0.002 0.000 0.299 584 G C -1.097 173.635 174.900 -0.280 0.000 1.315 584 G CA -1.097 43.772 45.100 -0.385 0.000 1.045 584 G HN 0.890 nan 8.290 nan 0.000 0.517 585 Y N -2.017 118.293 120.300 0.017 0.000 3.929 585 Y HA -0.206 4.343 4.550 -0.002 0.000 0.225 585 Y C 1.212 177.130 175.900 0.030 0.000 1.200 585 Y CA 1.003 59.119 58.100 0.026 0.000 1.791 585 Y CB -2.377 36.114 38.460 0.052 0.000 1.561 585 Y HN 0.571 nan 8.280 nan 0.000 0.657 586 Q N -0.540 119.287 119.800 0.046 0.000 2.023 586 Q HA 0.492 4.831 4.340 -0.002 0.000 0.211 586 Q C 0.848 176.735 176.000 -0.189 0.000 0.787 586 Q CA 0.138 55.977 55.803 0.059 0.000 1.035 586 Q CB 1.683 30.453 28.738 0.053 0.000 1.221 586 Q HN 0.649 nan 8.270 nan 0.000 0.443 587 G N 0.902 109.447 108.800 -0.425 0.000 2.663 587 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.686 587 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.686 587 G C -0.534 174.002 174.900 -0.608 0.000 1.246 587 G CA -0.588 43.984 45.100 -0.880 0.000 0.795 587 G HN 0.099 nan 8.290 nan 0.000 0.627 588 D N -0.023 119.981 120.400 -0.661 0.000 2.348 588 D HA -0.031 4.608 4.640 -0.002 0.000 0.216 588 D C 2.109 178.119 176.300 -0.483 0.000 0.970 588 D CA 1.041 54.593 54.000 -0.747 0.000 0.889 588 D CB 0.144 40.420 40.800 -0.874 0.000 0.912 588 D HN 0.591 nan 8.370 nan 0.000 0.524 589 K N 0.572 120.759 120.400 -0.355 0.000 2.097 589 K HA -0.064 4.255 4.320 -0.002 0.000 0.206 589 K C 1.914 178.442 176.600 -0.120 0.000 1.049 589 K CA 0.769 56.940 56.287 -0.195 0.000 0.933 589 K CB 0.083 32.484 32.500 -0.166 0.000 0.717 589 K HN 0.103 nan 8.250 nan 0.000 0.442 590 I N 0.214 120.700 120.570 -0.141 0.000 2.494 590 I HA -0.159 4.010 4.170 -0.002 0.000 0.250 590 I C 2.543 178.655 176.117 -0.008 0.000 1.112 590 I CA 0.522 61.810 61.300 -0.019 0.000 1.438 590 I CB -0.047 37.951 38.000 -0.003 0.000 1.111 590 I HN 0.255 nan 8.210 nan 0.000 0.431 591 M N 0.110 119.630 119.600 -0.133 0.000 2.175 591 M HA -0.196 4.283 4.480 -0.002 0.000 0.264 591 M C 1.697 178.020 176.300 0.039 0.000 1.063 591 M CA 1.930 57.174 55.300 -0.093 0.000 1.119 591 M CB -0.226 32.216 32.600 -0.262 0.000 1.377 591 M HN 0.271 nan 8.290 nan 0.000 0.415 592 H N -0.878 118.076 119.070 -0.193 0.000 2.533 592 H HA 0.214 4.769 4.556 -0.002 0.000 0.271 592 H C 1.778 177.109 175.328 0.006 0.000 1.000 592 H CA 0.073 56.007 56.048 -0.190 0.000 1.149 592 H CB 0.257 29.828 29.762 -0.319 0.000 1.375 592 H HN 0.493 nan 8.280 nan 0.000 0.582 593 A N 1.502 124.426 122.820 0.173 0.000 1.972 593 A HA -0.122 4.197 4.320 -0.002 0.000 0.219 593 A C 2.144 179.925 177.584 0.329 0.000 1.169 593 A CA 1.020 53.191 52.037 0.222 0.000 0.635 593 A CB -0.589 18.525 19.000 0.190 0.000 0.810 593 A HN 0.574 nan 8.150 nan 0.000 0.446 594 I N -2.869 117.867 120.570 0.277 0.000 3.684 594 I HA 0.104 4.273 4.170 -0.002 0.000 0.304 594 I C 0.434 176.644 176.117 0.156 0.000 1.278 594 I CA -0.189 61.230 61.300 0.199 0.000 1.272 594 I CB -0.907 37.182 38.000 0.150 0.000 1.029 594 I HN 0.138 nan 8.210 nan 0.000 0.458 595 N N 3.111 121.946 118.700 0.225 0.000 2.315 595 N HA -0.140 4.599 4.740 -0.002 0.000 0.270 595 N C 0.481 176.032 175.510 0.067 0.000 1.329 595 N CA 0.661 53.842 53.050 0.217 0.000 0.860 595 N CB -0.019 38.532 38.487 0.107 0.000 1.095 595 N HN 0.354 nan 8.380 nan 0.000 0.487 596 R N 0.613 121.136 120.500 0.038 0.000 3.989 596 R HA -0.195 4.144 4.340 -0.002 0.000 0.377 596 R C -0.432 175.767 176.300 -0.169 0.000 1.158 596 R CA 0.812 56.884 56.100 -0.048 0.000 1.035 596 R CB -1.022 29.259 30.300 -0.031 0.000 1.557 596 R HN 0.560 nan 8.270 nan 0.000 0.551 597 R N 0.521 120.908 120.500 -0.187 0.000 2.711 597 R HA 0.197 4.536 4.340 -0.002 0.000 0.350 597 R C -0.773 175.507 176.300 -0.033 0.000 1.146 597 R CA -0.663 55.179 56.100 -0.430 0.000 1.190 597 R CB 0.482 30.486 30.300 -0.493 0.000 1.312 597 R HN -0.099 nan 8.270 nan 0.000 0.635 598 L N 0.183 121.486 121.223 0.134 0.000 2.485 598 L HA 0.223 4.562 4.340 -0.002 0.000 0.275 598 L C 1.538 178.645 176.870 0.396 0.000 1.207 598 L CA 1.466 56.403 54.840 0.162 0.000 0.855 598 L CB 0.470 42.396 42.059 -0.221 0.000 1.114 598 L HN 0.764 nan 8.230 nan 0.000 0.485 599 G N 0.827 109.880 108.800 0.422 0.000 2.132 599 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.234 599 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.234 599 G C 0.503 175.484 174.900 0.135 0.000 0.989 599 G CA 0.843 46.138 45.100 0.324 0.000 0.676 599 G HN 0.902 nan 8.290 nan 0.000 0.522 600 T N -3.336 111.256 114.554 0.064 0.000 2.638 600 T HA 0.473 4.822 4.350 -0.002 0.000 0.169 600 T C 1.707 176.390 174.700 -0.029 0.000 0.790 600 T CA 0.721 62.758 62.100 -0.105 0.000 1.151 600 T CB -0.114 68.492 68.868 -0.436 0.000 2.581 600 T HN 0.152 nan 8.240 nan 0.000 0.391 601 F N 3.231 123.224 119.950 0.071 0.000 2.120 601 F HA -0.100 4.426 4.527 -0.002 0.000 0.300 601 F C 2.968 178.807 175.800 0.064 0.000 1.095 601 F CA 1.320 59.351 58.000 0.051 0.000 1.249 601 F CB -0.335 38.692 39.000 0.045 0.000 0.995 601 F HN 0.492 nan 8.300 nan 0.000 0.480 602 E N 0.945 121.303 120.200 0.264 0.000 2.204 602 E HA -0.141 4.208 4.350 -0.002 0.000 0.195 602 E C 2.043 178.754 176.600 0.186 0.000 0.990 602 E CA 1.439 57.971 56.400 0.220 0.000 0.821 602 E CB -0.950 28.886 29.700 0.227 0.000 0.750 602 E HN 0.350 nan 8.360 nan 0.000 0.477 603 V N 1.715 121.715 119.914 0.144 0.000 2.379 603 V HA -0.137 3.982 4.120 -0.002 0.000 0.243 603 V C 2.467 178.604 176.094 0.072 0.000 1.035 603 V CA 1.630 63.973 62.300 0.071 0.000 1.035 603 V CB -0.339 31.485 31.823 0.002 0.000 0.673 603 V HN 0.124 nan 8.190 nan 0.000 0.457 604 E N 0.436 120.693 120.200 0.095 0.000 2.077 604 E HA -0.227 4.122 4.350 -0.002 0.000 0.193 604 E C 1.963 178.593 176.600 0.050 0.000 0.989 604 E CA 1.503 57.952 56.400 0.083 0.000 0.800 604 E CB -0.417 29.360 29.700 0.128 0.000 0.746 604 E HN 0.571 nan 8.360 nan 0.000 0.452 605 D N 0.601 121.045 120.400 0.074 0.000 2.178 605 D HA -0.139 4.500 4.640 -0.002 0.000 0.201 605 D C 1.965 178.244 176.300 -0.036 0.000 0.980 605 D CA 0.740 54.749 54.000 0.015 0.000 0.842 605 D CB -0.096 40.763 40.800 0.097 0.000 0.948 605 D HN 0.105 nan 8.370 nan 0.000 0.472 606 Q N 0.017 119.868 119.800 0.085 0.000 2.079 606 Q HA -0.027 4.312 4.340 -0.002 0.000 0.200 606 Q C 2.566 178.609 176.000 0.072 0.000 0.974 606 Q CA 0.567 56.433 55.803 0.105 0.000 0.840 606 Q CB -0.166 28.655 28.738 0.139 0.000 0.898 606 Q HN 0.426 nan 8.270 nan 0.000 0.430 607 I N 0.697 121.328 120.570 0.101 0.000 2.179 607 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 607 I C 2.302 178.398 176.117 -0.035 0.000 1.088 607 I CA 1.182 62.589 61.300 0.178 0.000 1.357 607 I CB -0.249 37.842 38.000 0.151 0.000 1.051 607 I HN 0.141 nan 8.210 nan 0.000 0.409 608 E N 1.497 121.618 120.200 -0.132 0.000 2.265 608 E HA -0.179 4.170 4.350 -0.002 0.000 0.196 608 E C 2.000 178.328 176.600 -0.453 0.000 0.996 608 E CA 1.388 57.644 56.400 -0.241 0.000 0.832 608 E CB -0.098 29.470 29.700 -0.219 0.000 0.756 608 E HN 0.439 nan 8.360 nan 0.000 0.491 609 A N 0.700 123.152 122.820 -0.614 0.000 1.873 609 A HA 0.009 4.328 4.320 -0.002 0.000 0.215 609 A C 2.458 179.519 177.584 -0.870 0.000 1.186 609 A CA 1.872 53.269 52.037 -1.066 0.000 0.616 609 A CB -1.036 17.317 19.000 -1.079 0.000 0.823 609 A HN 0.371 nan 8.150 nan 0.000 0.442 610 A N 0.029 122.685 122.820 -0.273 0.000 1.883 610 A HA -0.217 4.101 4.320 -0.002 0.000 0.217 610 A C 2.242 179.699 177.584 -0.212 0.000 1.186 610 A CA 1.759 53.757 52.037 -0.065 0.000 0.624 610 A CB -0.535 18.406 19.000 -0.099 0.000 0.822 610 A HN 0.564 nan 8.150 nan 0.000 0.444 611 R N -0.855 119.485 120.500 -0.267 0.000 2.083 611 R HA -0.161 4.178 4.340 -0.002 0.000 0.237 611 R C 2.502 178.641 176.300 -0.268 0.000 1.137 611 R CA 1.574 57.533 56.100 -0.235 0.000 0.951 611 R CB -0.388 29.790 30.300 -0.203 0.000 0.851 611 R HN 0.557 nan 8.270 nan 0.000 0.434 612 Q N -0.009 119.549 119.800 -0.404 0.000 2.077 612 Q HA -0.173 4.166 4.340 -0.002 0.000 0.206 612 Q C 2.094 177.871 176.000 -0.372 0.000 0.989 612 Q CA 1.624 57.169 55.803 -0.429 0.000 0.853 612 Q CB -0.345 28.030 28.738 -0.606 0.000 0.907 612 Q HN 0.313 nan 8.270 nan 0.000 0.418 613 F N 0.945 120.738 119.950 -0.262 0.000 2.216 613 F HA -0.098 4.428 4.527 -0.002 0.000 0.300 613 F C 2.571 178.193 175.800 -0.297 0.000 1.085 613 F CA 0.847 58.679 58.000 -0.279 0.000 1.326 613 F CB -0.815 38.072 39.000 -0.187 0.000 1.027 613 F HN -0.053 nan 8.300 nan 0.000 0.497 614 S N -0.224 115.434 115.700 -0.070 0.000 2.383 614 S HA -0.152 4.317 4.470 -0.002 0.000 0.227 614 S C 1.911 176.416 174.600 -0.159 0.000 1.026 614 S CA 0.919 59.050 58.200 -0.114 0.000 0.981 614 S CB -0.265 62.865 63.200 -0.115 0.000 0.818 614 S HN 0.354 nan 8.310 nan 0.000 0.472 615 K N 0.852 121.152 120.400 -0.166 0.000 2.360 615 K HA 0.101 4.420 4.320 -0.002 0.000 0.201 615 K C 1.502 177.994 176.600 -0.181 0.000 1.046 615 K CA 0.739 56.935 56.287 -0.151 0.000 0.945 615 K CB -0.211 32.207 32.500 -0.136 0.000 0.750 615 K HN 0.402 nan 8.250 nan 0.000 0.464 616 M N -0.248 119.182 119.600 -0.283 0.000 2.686 616 M HA -0.006 4.473 4.480 -0.002 0.000 0.246 616 M C 1.125 177.110 176.300 -0.525 0.000 1.096 616 M CA 0.760 55.800 55.300 -0.432 0.000 1.076 616 M CB 0.004 32.197 32.600 -0.678 0.000 1.504 616 M HN 0.427 nan 8.290 nan 0.000 0.524 617 G N 1.430 110.037 108.800 -0.322 0.000 2.228 617 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.270 617 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.270 617 G C 0.342 175.215 174.900 -0.045 0.000 0.976 617 G CA 0.794 45.801 45.100 -0.155 0.000 0.636 617 G HN 0.670 nan 8.290 nan 0.000 0.542 618 F N -0.380 119.647 119.950 0.127 0.000 2.850 618 F HA 0.780 5.306 4.527 -0.002 0.000 0.306 618 F C -0.084 175.851 175.800 0.226 0.000 1.162 618 F CA -1.898 56.217 58.000 0.192 0.000 1.327 618 F CB -0.003 39.187 39.000 0.318 0.000 0.953 618 F HN 0.069 nan 8.300 nan 0.000 0.507 619 V N 0.807 120.828 119.914 0.179 0.000 2.656 619 V HA 0.249 4.368 4.120 -0.002 0.000 0.307 619 V C -0.840 175.275 176.094 0.036 0.000 1.051 619 V CA -0.809 61.582 62.300 0.151 0.000 0.893 619 V CB 2.020 33.886 31.823 0.072 0.000 0.999 619 V HN 0.122 nan 8.190 nan 0.000 0.426 620 D N 3.274 123.674 120.400 0.001 0.000 2.359 620 D HA 0.037 4.676 4.640 -0.002 0.000 0.250 620 D C 1.250 177.504 176.300 -0.076 0.000 1.264 620 D CA -0.103 53.858 54.000 -0.063 0.000 0.911 620 D CB 0.583 41.310 40.800 -0.122 0.000 1.056 620 D HN 0.723 nan 8.370 nan 0.000 0.499 621 N N 3.152 121.812 118.700 -0.067 0.000 2.513 621 N HA -0.207 4.532 4.740 -0.002 0.000 0.187 621 N C 0.917 176.382 175.510 -0.075 0.000 1.056 621 N CA 1.161 54.165 53.050 -0.078 0.000 0.907 621 N CB 0.025 38.466 38.487 -0.076 0.000 0.954 621 N HN 0.319 nan 8.380 nan 0.000 0.445 622 K N -0.630 119.729 120.400 -0.069 0.000 2.323 622 K HA 0.169 4.488 4.320 -0.002 0.000 0.197 622 K C 0.178 176.758 176.600 -0.034 0.000 1.043 622 K CA 0.248 56.508 56.287 -0.045 0.000 0.997 622 K CB 0.363 32.839 32.500 -0.039 0.000 0.807 622 K HN 0.154 nan 8.250 nan 0.000 0.497 623 R N 1.340 121.770 120.500 -0.117 0.000 3.057 623 R HA 0.343 4.682 4.340 -0.002 0.000 0.291 623 R C -0.875 175.310 176.300 -0.191 0.000 1.394 623 R CA -0.082 55.882 56.100 -0.225 0.000 1.630 623 R CB 0.462 30.365 30.300 -0.662 0.000 1.268 623 R HN -0.010 nan 8.270 nan 0.000 0.621 624 I N 1.309 121.959 120.570 0.132 0.000 2.355 624 I HA 0.475 4.644 4.170 -0.002 0.000 0.288 624 I C 0.123 176.561 176.117 0.536 0.000 0.999 624 I CA -0.675 60.774 61.300 0.248 0.000 1.163 624 I CB 1.672 39.668 38.000 -0.005 0.000 1.316 624 I HN 0.335 nan 8.210 nan 0.000 0.454 625 A N 7.433 130.669 122.820 0.693 0.000 2.313 625 A HA 0.904 5.222 4.320 -0.002 0.000 0.323 625 A C -0.917 176.991 177.584 0.540 0.000 1.133 625 A CA -0.631 51.741 52.037 0.559 0.000 0.847 625 A CB 1.912 21.079 19.000 0.280 0.000 1.308 625 A HN 0.738 nan 8.150 nan 0.000 0.475 626 I N 0.461 121.256 120.570 0.375 0.000 2.802 626 I HA 0.734 4.903 4.170 -0.002 0.000 0.298 626 I C -1.972 174.374 176.117 0.381 0.000 1.176 626 I CA -0.640 60.804 61.300 0.240 0.000 1.025 626 I CB 1.768 39.602 38.000 -0.276 0.000 1.243 626 I HN 0.934 nan 8.210 nan 0.000 0.424 627 W N 6.964 128.365 121.300 0.167 0.000 3.363 627 W HA 0.792 5.451 4.660 -0.002 0.000 0.306 627 W C -1.644 175.013 176.519 0.230 0.000 1.253 627 W CA -0.915 56.552 57.345 0.204 0.000 1.195 627 W CB 0.962 30.598 29.460 0.294 0.000 1.366 627 W HN 0.840 nan 8.180 nan 0.000 0.551 628 G N 1.433 110.151 108.800 -0.135 0.000 2.646 628 G HA2 0.498 4.457 3.960 -0.002 0.000 0.291 628 G HA3 0.498 4.457 3.960 -0.002 0.000 0.291 628 G C -2.714 172.137 174.900 -0.082 0.000 1.445 628 G CA -0.711 44.179 45.100 -0.350 0.000 0.814 628 G HN 0.585 nan 8.290 nan 0.000 0.495 629 W N 0.976 122.170 121.300 -0.176 0.000 2.689 629 W HA 0.589 5.248 4.660 -0.002 0.000 0.340 629 W C 0.810 177.407 176.519 0.131 0.000 1.060 629 W CA 0.379 57.713 57.345 -0.018 0.000 1.218 629 W CB 1.719 31.158 29.460 -0.035 0.000 1.410 629 W HN 0.979 nan 8.180 nan 0.000 0.528 630 S N 1.621 117.606 115.700 0.476 0.000 4.114 630 S HA -0.423 4.046 4.470 -0.002 0.000 0.618 630 S C 0.863 175.580 174.600 0.194 0.000 1.937 630 S CA 1.742 60.193 58.200 0.418 0.000 4.228 630 S CB -1.585 61.995 63.200 0.632 0.000 0.216 630 S HN 0.738 nan 8.310 nan 0.000 0.528 631 Y N 3.025 123.340 120.300 0.025 0.000 2.333 631 Y HA 0.001 4.549 4.550 -0.002 0.000 0.290 631 Y C 2.315 178.164 175.900 -0.084 0.000 1.144 631 Y CA 2.082 60.108 58.100 -0.124 0.000 1.228 631 Y CB -0.966 37.226 38.460 -0.447 0.000 0.985 631 Y HN 0.514 nan 8.280 nan 0.000 0.542 632 G N -0.858 108.029 108.800 0.144 0.000 2.421 632 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.216 632 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.216 632 G C 1.964 176.914 174.900 0.085 0.000 1.171 632 G CA 0.778 45.964 45.100 0.144 0.000 0.775 632 G HN 0.550 nan 8.290 nan 0.000 0.543 633 G N -0.282 108.571 108.800 0.089 0.000 2.422 633 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.218 633 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.218 633 G C 1.635 176.561 174.900 0.043 0.000 1.146 633 G CA 1.156 46.282 45.100 0.043 0.000 0.769 633 G HN 0.457 nan 8.290 nan 0.000 0.547 634 Y N 1.223 121.437 120.300 -0.143 0.000 2.163 634 Y HA -0.079 4.470 4.550 -0.002 0.000 0.288 634 Y C 2.722 178.533 175.900 -0.149 0.000 1.136 634 Y CA 1.558 59.516 58.100 -0.236 0.000 1.147 634 Y CB -0.414 37.749 38.460 -0.495 0.000 0.987 634 Y HN 0.023 nan 8.280 nan 0.000 0.509 635 V N -0.138 119.658 119.914 -0.198 0.000 2.427 635 V HA -0.293 3.826 4.120 -0.002 0.000 0.248 635 V C 2.278 178.257 176.094 -0.192 0.000 1.051 635 V CA 2.344 64.508 62.300 -0.226 0.000 1.048 635 V CB -1.081 30.772 31.823 0.049 0.000 0.666 635 V HN 0.508 nan 8.190 nan 0.000 0.456 636 T N -0.097 114.399 114.554 -0.097 0.000 2.684 636 T HA -0.203 4.146 4.350 -0.002 0.000 0.267 636 T C 2.148 176.786 174.700 -0.103 0.000 1.036 636 T CA 2.019 64.072 62.100 -0.078 0.000 1.148 636 T CB -0.287 68.612 68.868 0.052 0.000 0.863 636 T HN 0.520 nan 8.240 nan 0.000 0.436 637 S N 1.253 116.928 115.700 -0.041 0.000 2.356 637 S HA -0.060 4.409 4.470 -0.002 0.000 0.223 637 S C 2.193 176.707 174.600 -0.143 0.000 1.032 637 S CA 1.043 59.249 58.200 0.011 0.000 1.005 637 S CB -0.353 62.906 63.200 0.099 0.000 0.867 637 S HN 0.304 nan 8.310 nan 0.000 0.449 638 M N 1.030 120.461 119.600 -0.281 0.000 2.080 638 M HA -0.084 4.395 4.480 -0.002 0.000 0.260 638 M C 2.270 178.417 176.300 -0.256 0.000 1.068 638 M CA 1.250 56.366 55.300 -0.306 0.000 1.109 638 M CB -1.545 30.766 32.600 -0.482 0.000 1.342 638 M HN 0.187 nan 8.290 nan 0.000 0.405 639 V N 0.668 120.427 119.914 -0.258 0.000 2.261 639 V HA -0.256 3.863 4.120 -0.002 0.000 0.246 639 V C 2.550 178.478 176.094 -0.277 0.000 1.047 639 V CA 1.504 63.666 62.300 -0.231 0.000 1.015 639 V CB -0.720 30.910 31.823 -0.320 0.000 0.642 639 V HN 0.426 nan 8.190 nan 0.000 0.446 640 L N 0.431 121.414 121.223 -0.399 0.000 2.261 640 L HA -0.092 4.247 4.340 -0.002 0.000 0.216 640 L C 2.051 178.389 176.870 -0.887 0.000 1.114 640 L CA 1.467 55.968 54.840 -0.564 0.000 0.777 640 L CB -0.672 40.992 42.059 -0.658 0.000 0.910 640 L HN 0.507 nan 8.230 nan 0.000 0.440 641 G N -1.634 106.672 108.800 -0.824 0.000 3.502 641 G HA2 0.042 4.001 3.960 -0.002 0.000 0.267 641 G HA3 0.042 4.001 3.960 -0.002 0.000 0.267 641 G C 1.312 176.066 174.900 -0.244 0.000 1.090 641 G CA 0.511 45.231 45.100 -0.632 0.000 0.795 641 G HN 0.392 nan 8.290 nan 0.000 0.535 642 S N -0.995 114.585 115.700 -0.200 0.000 2.478 642 S HA 0.330 4.799 4.470 -0.002 0.000 0.222 642 S C 1.903 176.464 174.600 -0.064 0.000 1.008 642 S CA 1.051 59.193 58.200 -0.096 0.000 0.928 642 S CB 0.052 63.215 63.200 -0.062 0.000 0.781 642 S HN 1.355 nan 8.310 nan 0.000 0.518 643 G N 1.441 110.194 108.800 -0.078 0.000 2.141 643 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.242 643 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.242 643 G C 0.957 175.845 174.900 -0.020 0.000 0.982 643 G CA 0.849 45.922 45.100 -0.045 0.000 0.662 643 G HN 1.287 nan 8.290 nan 0.000 0.527 644 S N -0.189 115.509 115.700 -0.003 0.000 2.469 644 S HA 0.270 4.739 4.470 -0.002 0.000 0.238 644 S C 2.551 177.144 174.600 -0.011 0.000 0.998 644 S CA 1.618 59.821 58.200 0.005 0.000 0.957 644 S CB -0.403 62.822 63.200 0.042 0.000 0.764 644 S HN 2.405 nan 8.310 nan 0.000 0.514 645 G N 0.049 108.848 108.800 -0.001 0.000 2.180 645 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.263 645 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.263 645 G C 0.699 175.571 174.900 -0.047 0.000 0.989 645 G CA 0.511 45.604 45.100 -0.012 0.000 0.692 645 G HN 0.689 nan 8.290 nan 0.000 0.526 646 V N -0.897 118.964 119.914 -0.088 0.000 2.535 646 V HA 0.282 4.401 4.120 -0.002 0.000 0.246 646 V C 1.242 177.081 176.094 -0.424 0.000 1.045 646 V CA 1.307 63.427 62.300 -0.300 0.000 1.058 646 V CB -0.284 31.247 31.823 -0.486 0.000 0.689 646 V HN 0.289 nan 8.190 nan 0.000 0.461 647 F N 0.268 120.235 119.950 0.028 0.000 2.404 647 F HA 0.374 4.900 4.527 -0.002 0.000 0.339 647 F C 1.181 177.028 175.800 0.078 0.000 1.105 647 F CA -0.380 57.663 58.000 0.072 0.000 1.087 647 F CB 1.242 40.284 39.000 0.071 0.000 1.143 647 F HN -0.215 nan 8.300 nan 0.000 0.491 648 K N 1.746 122.311 120.400 0.275 0.000 2.137 648 K HA 0.084 4.403 4.320 -0.002 0.000 0.202 648 K C -0.130 176.607 176.600 0.228 0.000 1.052 648 K CA 0.939 57.355 56.287 0.215 0.000 0.961 648 K CB 0.235 32.872 32.500 0.228 0.000 0.741 648 K HN 0.797 nan 8.250 nan 0.000 0.452 649 c N -2.634 116.139 118.600 0.289 0.000 3.311 649 c HA 0.873 5.442 4.570 -0.002 0.000 0.325 649 c C -0.296 174.009 174.090 0.359 0.000 1.352 649 c CA -0.707 55.806 56.329 0.308 0.000 1.308 649 c CB 1.116 43.756 42.510 0.217 0.000 1.619 649 c HN 0.329 nan 8.230 nan 0.000 0.469 650 G N 0.247 109.311 108.800 0.441 0.000 2.720 650 G HA2 0.718 4.677 3.960 -0.002 0.000 0.295 650 G HA3 0.718 4.677 3.960 -0.002 0.000 0.295 650 G C -1.828 173.316 174.900 0.407 0.000 1.437 650 G CA -0.696 44.640 45.100 0.392 0.000 0.886 650 G HN 0.980 nan 8.290 nan 0.000 0.509 651 I N 1.011 121.790 120.570 0.348 0.000 2.436 651 I HA 0.601 4.770 4.170 -0.002 0.000 0.289 651 I C 0.169 176.418 176.117 0.220 0.000 1.010 651 I CA -0.951 60.456 61.300 0.178 0.000 1.098 651 I CB 2.130 40.229 38.000 0.164 0.000 1.266 651 I HN 0.607 nan 8.210 nan 0.000 0.434 652 A N 6.657 129.497 122.820 0.032 0.000 2.291 652 A HA 0.749 5.068 4.320 -0.002 0.000 0.311 652 A C -0.779 176.700 177.584 -0.175 0.000 1.224 652 A CA -0.489 51.557 52.037 0.014 0.000 0.821 652 A CB 1.179 20.250 19.000 0.118 0.000 1.172 652 A HN 0.446 nan 8.150 nan 0.000 0.494 653 V N 2.167 121.915 119.914 -0.276 0.000 2.417 653 V HA 0.576 4.695 4.120 -0.002 0.000 0.291 653 V C 0.905 176.558 176.094 -0.736 0.000 1.024 653 V CA 0.367 62.279 62.300 -0.647 0.000 0.861 653 V CB 0.918 32.019 31.823 -1.203 0.000 0.985 653 V HN 2.108 nan 8.190 nan 0.000 0.436 654 A N 5.727 128.102 122.820 -0.742 0.000 2.466 654 A HA -0.100 4.219 4.320 -0.002 0.000 0.295 654 A C -1.858 175.523 177.584 -0.337 0.000 1.465 654 A CA 0.464 51.976 52.037 -0.875 0.000 0.744 654 A CB -1.524 17.230 19.000 -0.411 0.000 1.098 654 A HN 0.600 nan 8.150 nan 0.000 0.402 655 P HA 0.482 nan 4.420 nan 0.000 0.279 655 P C 0.087 177.318 177.300 -0.116 0.000 1.252 655 P CA -0.327 62.716 63.100 -0.096 0.000 0.811 655 P CB 1.476 33.151 31.700 -0.041 0.000 1.035 656 V N 1.914 121.673 119.914 -0.259 0.000 2.732 656 V HA 0.153 4.272 4.120 -0.002 0.000 0.297 656 V C 1.650 177.531 176.094 -0.354 0.000 1.060 656 V CA 0.810 62.802 62.300 -0.513 0.000 1.038 656 V CB 0.914 32.035 31.823 -1.170 0.000 1.003 656 V HN 0.864 nan 8.190 nan 0.000 0.481 657 S N 3.394 118.911 115.700 -0.305 0.000 2.663 657 S HA 0.291 4.759 4.470 -0.002 0.000 0.247 657 S C 0.567 175.009 174.600 -0.262 0.000 1.074 657 S CA -0.362 57.748 58.200 -0.150 0.000 0.955 657 S CB 0.370 63.549 63.200 -0.035 0.000 0.901 657 S HN 0.648 nan 8.310 nan 0.000 0.505 658 R N -0.586 119.650 120.500 -0.439 0.000 2.510 658 R HA 0.316 4.655 4.340 -0.002 0.000 0.287 658 R C -0.923 175.074 176.300 -0.506 0.000 1.084 658 R CA -0.644 55.134 56.100 -0.537 0.000 0.934 658 R CB 0.644 30.410 30.300 -0.889 0.000 1.201 658 R HN 0.333 nan 8.270 nan 0.000 0.431 659 W N 2.151 123.345 121.300 -0.177 0.000 2.387 659 W HA -0.113 4.546 4.660 -0.002 0.000 0.272 659 W C 1.237 177.863 176.519 0.177 0.000 1.224 659 W CA 0.710 58.041 57.345 -0.023 0.000 1.210 659 W CB 0.360 29.744 29.460 -0.127 0.000 1.125 659 W HN 0.659 nan 8.180 nan 0.000 0.572 660 E N -1.123 119.221 120.200 0.241 0.000 2.478 660 E HA -0.160 4.189 4.350 -0.002 0.000 0.198 660 E C 1.047 177.773 176.600 0.210 0.000 1.046 660 E CA 0.581 57.081 56.400 0.166 0.000 0.870 660 E CB -0.164 29.533 29.700 -0.006 0.000 0.818 660 E HN 0.387 nan 8.360 nan 0.000 0.527 661 Y N -1.428 118.951 120.300 0.131 0.000 2.500 661 Y HA 0.104 4.653 4.550 -0.002 0.000 0.270 661 Y C 0.616 176.580 175.900 0.108 0.000 1.134 661 Y CA -0.487 57.651 58.100 0.063 0.000 1.293 661 Y CB -0.409 38.035 38.460 -0.027 0.000 1.063 661 Y HN 0.018 nan 8.280 nan 0.000 0.534 662 Y N 1.739 122.161 120.300 0.204 0.000 2.374 662 Y HA 0.251 4.799 4.550 -0.002 0.000 0.322 662 Y C 0.412 176.517 175.900 0.341 0.000 1.275 662 Y CA -1.673 56.558 58.100 0.218 0.000 1.307 662 Y CB 0.635 39.272 38.460 0.295 0.000 1.282 662 Y HN 0.149 nan 8.280 nan 0.000 0.509 663 D N 0.317 120.482 120.400 -0.392 0.000 2.423 663 D HA 0.012 4.651 4.640 -0.002 0.000 0.238 663 D C 0.944 177.227 176.300 -0.028 0.000 1.142 663 D CA 0.332 54.191 54.000 -0.235 0.000 0.884 663 D CB 1.188 41.634 40.800 -0.589 0.000 1.199 663 D HN 0.561 nan 8.370 nan 0.000 0.438 664 S N 1.812 117.517 115.700 0.009 0.000 2.414 664 S HA -0.301 4.168 4.470 -0.002 0.000 0.225 664 S C 1.997 176.623 174.600 0.043 0.000 1.041 664 S CA 1.580 59.824 58.200 0.074 0.000 1.114 664 S CB -1.304 61.952 63.200 0.093 0.000 1.064 664 S HN 0.471 nan 8.310 nan 0.000 0.420 665 V N 1.478 121.358 119.914 -0.057 0.000 2.236 665 V HA -0.298 3.821 4.120 -0.002 0.000 0.255 665 V C 2.318 178.331 176.094 -0.136 0.000 1.068 665 V CA 2.716 64.891 62.300 -0.208 0.000 1.044 665 V CB -1.355 30.197 31.823 -0.451 0.000 0.653 665 V HN 0.637 nan 8.190 nan 0.000 0.448 666 Y N 1.058 121.283 120.300 -0.125 0.000 2.133 666 Y HA -0.241 4.308 4.550 -0.002 0.000 0.287 666 Y C 2.719 178.624 175.900 0.008 0.000 1.134 666 Y CA 2.397 60.502 58.100 0.007 0.000 1.133 666 Y CB -0.525 38.114 38.460 0.298 0.000 0.987 666 Y HN 0.280 nan 8.280 nan 0.000 0.502 667 T N 0.317 115.086 114.554 0.359 0.000 2.643 667 T HA -0.210 4.139 4.350 -0.002 0.000 0.264 667 T C 1.559 176.224 174.700 -0.060 0.000 1.045 667 T CA 1.872 64.101 62.100 0.215 0.000 1.155 667 T CB -0.426 68.710 68.868 0.447 0.000 0.863 667 T HN 0.422 nan 8.240 nan 0.000 0.420 668 E N 0.635 120.847 120.200 0.020 0.000 2.267 668 E HA -0.160 4.189 4.350 -0.002 0.000 0.197 668 E C 2.337 178.826 176.600 -0.185 0.000 0.998 668 E CA 0.531 56.932 56.400 0.002 0.000 0.830 668 E CB -0.161 29.583 29.700 0.074 0.000 0.751 668 E HN 0.337 nan 8.360 nan 0.000 0.491 669 R N 0.082 120.315 120.500 -0.445 0.000 2.120 669 R HA -0.175 4.164 4.340 -0.002 0.000 0.234 669 R C 1.073 176.810 176.300 -0.939 0.000 1.123 669 R CA 1.504 57.139 56.100 -0.774 0.000 0.975 669 R CB 0.075 29.609 30.300 -1.277 0.000 0.866 669 R HN 0.303 nan 8.270 nan 0.000 0.446 670 Y N -2.582 117.422 120.300 -0.493 0.000 2.535 670 Y HA 0.235 4.784 4.550 -0.002 0.000 0.264 670 Y C 1.778 177.503 175.900 -0.291 0.000 1.087 670 Y CA -0.373 57.442 58.100 -0.476 0.000 1.285 670 Y CB 0.443 38.477 38.460 -0.710 0.000 1.200 670 Y HN -0.097 nan 8.280 nan 0.000 0.514 671 M N 0.155 119.640 119.600 -0.191 0.000 2.382 671 M HA 0.347 4.825 4.480 -0.002 0.000 0.247 671 M C 1.124 177.424 176.300 -0.000 0.000 1.104 671 M CA 0.842 56.017 55.300 -0.209 0.000 1.030 671 M CB -0.415 31.840 32.600 -0.574 0.000 1.424 671 M HN 0.408 nan 8.290 nan 0.000 0.486 672 G N 1.845 110.668 108.800 0.039 0.000 2.598 672 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.244 672 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.244 672 G C -0.446 174.589 174.900 0.224 0.000 1.302 672 G CA -0.668 44.496 45.100 0.107 0.000 0.903 672 G HN 0.367 nan 8.290 nan 0.000 0.575 673 L N 1.047 122.375 121.223 0.175 0.000 2.325 673 L HA 0.452 4.791 4.340 -0.002 0.000 0.279 673 L C -1.790 175.104 176.870 0.040 0.000 1.054 673 L CA -1.881 53.020 54.840 0.102 0.000 0.804 673 L CB 2.151 44.230 42.059 0.033 0.000 1.200 673 L HN 0.308 nan 8.230 nan 0.000 0.436 674 P HA 0.050 nan 4.420 nan 0.000 0.235 674 P C -0.357 176.813 177.300 -0.217 0.000 1.725 674 P CA -0.080 62.645 63.100 -0.624 0.000 0.894 674 P CB -0.306 30.704 31.700 -1.149 0.000 1.704 675 T N -4.519 109.989 114.554 -0.077 0.000 2.945 675 T HA 0.416 4.765 4.350 -0.002 0.000 0.286 675 T C -2.044 172.658 174.700 0.003 0.000 1.025 675 T CA -2.525 59.554 62.100 -0.036 0.000 1.039 675 T CB 1.494 70.350 68.868 -0.021 0.000 1.068 675 T HN -0.275 nan 8.240 nan 0.000 0.497 676 P HA -0.117 nan 4.420 nan 0.000 0.216 676 P C 1.244 178.559 177.300 0.024 0.000 1.150 676 P CA 0.922 64.034 63.100 0.019 0.000 0.837 676 P CB 0.061 31.768 31.700 0.011 0.000 0.786 677 E N -1.284 118.926 120.200 0.017 0.000 2.359 677 E HA -0.012 4.337 4.350 -0.002 0.000 0.187 677 E C 0.351 176.966 176.600 0.025 0.000 1.081 677 E CA 0.492 56.903 56.400 0.018 0.000 0.929 677 E CB -0.422 29.284 29.700 0.009 0.000 1.086 677 E HN 0.227 nan 8.360 nan 0.000 0.462 678 D N 0.904 121.328 120.400 0.040 0.000 2.906 678 D HA 0.073 4.712 4.640 -0.002 0.000 0.162 678 D C 0.062 176.414 176.300 0.087 0.000 1.360 678 D CA -0.167 53.867 54.000 0.056 0.000 1.565 678 D CB -0.176 40.660 40.800 0.061 0.000 1.429 678 D HN 0.147 nan 8.370 nan 0.000 0.185 679 N N 0.313 119.099 118.700 0.142 0.000 2.305 679 N HA 0.040 4.779 4.740 -0.002 0.000 0.248 679 N C 1.339 177.039 175.510 0.317 0.000 1.290 679 N CA -0.067 53.106 53.050 0.205 0.000 0.873 679 N CB 1.055 39.670 38.487 0.213 0.000 1.261 679 N HN 0.015 nan 8.380 nan 0.000 0.504 680 L N 1.375 122.724 121.223 0.211 0.000 2.043 680 L HA -0.179 4.160 4.340 -0.002 0.000 0.212 680 L C 1.409 178.403 176.870 0.207 0.000 1.075 680 L CA 2.025 56.972 54.840 0.178 0.000 0.752 680 L CB -0.491 41.593 42.059 0.042 0.000 0.891 680 L HN 0.137 nan 8.230 nan 0.000 0.432 681 D N -1.409 119.086 120.400 0.158 0.000 2.133 681 D HA -0.255 4.384 4.640 -0.002 0.000 0.195 681 D C 2.066 178.466 176.300 0.166 0.000 0.997 681 D CA 1.718 55.798 54.000 0.134 0.000 0.840 681 D CB -0.177 40.686 40.800 0.106 0.000 0.947 681 D HN 0.595 nan 8.370 nan 0.000 0.452 682 H N -1.149 117.978 119.070 0.096 0.000 2.529 682 H HA -0.013 4.542 4.556 -0.002 0.000 0.277 682 H C 1.539 176.908 175.328 0.067 0.000 0.999 682 H CA 0.967 57.043 56.048 0.046 0.000 1.256 682 H CB -0.169 29.580 29.762 -0.022 0.000 1.402 682 H HN 0.170 nan 8.280 nan 0.000 0.566 683 Y N 0.184 120.466 120.300 -0.030 0.000 2.163 683 Y HA -0.107 4.442 4.550 -0.002 0.000 0.288 683 Y C 2.281 178.146 175.900 -0.059 0.000 1.136 683 Y CA 1.257 59.339 58.100 -0.029 0.000 1.147 683 Y CB 0.171 38.646 38.460 0.025 0.000 0.987 683 Y HN 0.082 nan 8.280 nan 0.000 0.509 684 R N -0.128 120.453 120.500 0.136 0.000 2.235 684 R HA -0.079 4.260 4.340 -0.002 0.000 0.213 684 R C 1.141 177.446 176.300 0.008 0.000 1.059 684 R CA 0.886 57.017 56.100 0.051 0.000 0.997 684 R CB -0.680 29.650 30.300 0.049 0.000 0.884 684 R HN 0.329 nan 8.270 nan 0.000 0.462 685 N N 0.225 118.913 118.700 -0.019 0.000 2.254 685 N HA -0.052 4.687 4.740 -0.002 0.000 0.190 685 N C -0.069 175.398 175.510 -0.071 0.000 1.107 685 N CA 0.166 53.203 53.050 -0.022 0.000 0.869 685 N CB 0.462 38.970 38.487 0.036 0.000 0.983 685 N HN 0.021 nan 8.380 nan 0.000 0.487 686 S N -0.941 114.668 115.700 -0.151 0.000 2.484 686 S HA 0.200 4.669 4.470 -0.002 0.000 0.242 686 S C 0.179 174.816 174.600 0.062 0.000 1.158 686 S CA -0.651 57.502 58.200 -0.078 0.000 1.162 686 S CB -0.684 62.367 63.200 -0.248 0.000 0.850 686 S HN 0.204 nan 8.310 nan 0.000 0.477 687 T N -2.031 112.524 114.554 0.002 0.000 2.929 687 T HA 0.562 4.911 4.350 -0.002 0.000 0.284 687 T C 1.268 175.960 174.700 -0.013 0.000 1.014 687 T CA -0.679 61.410 62.100 -0.018 0.000 1.051 687 T CB 1.381 70.201 68.868 -0.080 0.000 1.028 687 T HN -0.026 nan 8.240 nan 0.000 0.485 688 V N 1.802 121.704 119.914 -0.021 0.000 2.358 688 V HA -0.124 3.995 4.120 -0.002 0.000 0.246 688 V C 2.658 178.723 176.094 -0.050 0.000 1.047 688 V CA 1.636 63.915 62.300 -0.035 0.000 1.035 688 V CB -1.037 30.759 31.823 -0.045 0.000 0.658 688 V HN 0.825 nan 8.190 nan 0.000 0.452 689 M N 1.465 121.019 119.600 -0.076 0.000 2.108 689 M HA -0.191 4.288 4.480 -0.002 0.000 0.257 689 M C 2.263 178.533 176.300 -0.050 0.000 1.071 689 M CA 2.281 57.529 55.300 -0.086 0.000 1.093 689 M CB -1.048 31.515 32.600 -0.060 0.000 1.345 689 M HN 0.528 nan 8.290 nan 0.000 0.403 690 S N -0.307 115.377 115.700 -0.026 0.000 2.595 690 S HA -0.036 4.433 4.470 -0.002 0.000 0.235 690 S C 1.483 176.090 174.600 0.012 0.000 0.974 690 S CA 0.514 58.709 58.200 -0.008 0.000 0.942 690 S CB -0.454 62.742 63.200 -0.006 0.000 0.766 690 S HN 0.552 nan 8.310 nan 0.000 0.536 691 R N -0.289 120.231 120.500 0.033 0.000 2.543 691 R HA 0.449 4.788 4.340 -0.002 0.000 0.323 691 R C 2.059 178.465 176.300 0.177 0.000 1.002 691 R CA 0.410 56.563 56.100 0.088 0.000 1.106 691 R CB -0.051 30.310 30.300 0.102 0.000 1.280 691 R HN 0.417 nan 8.270 nan 0.000 0.549 692 A N 1.952 124.810 122.820 0.063 0.000 1.881 692 A HA -0.260 4.059 4.320 -0.002 0.000 0.219 692 A C 1.887 179.546 177.584 0.126 0.000 1.215 692 A CA 1.561 53.602 52.037 0.007 0.000 0.648 692 A CB -0.275 18.675 19.000 -0.083 0.000 0.832 692 A HN 0.178 nan 8.150 nan 0.000 0.455 693 E N 0.005 120.255 120.200 0.084 0.000 2.233 693 E HA -0.207 4.142 4.350 -0.002 0.000 0.199 693 E C 1.646 178.306 176.600 0.100 0.000 1.004 693 E CA 1.473 57.921 56.400 0.080 0.000 0.819 693 E CB -0.565 29.165 29.700 0.050 0.000 0.738 693 E HN 0.820 nan 8.360 nan 0.000 0.478 694 N N -0.805 117.963 118.700 0.112 0.000 2.457 694 N HA -0.059 4.680 4.740 -0.002 0.000 0.180 694 N C 1.017 176.533 175.510 0.010 0.000 1.050 694 N CA -0.036 53.036 53.050 0.037 0.000 0.906 694 N CB -0.059 38.404 38.487 -0.040 0.000 0.968 694 N HN 0.050 nan 8.380 nan 0.000 0.445 695 F N 1.519 121.426 119.950 -0.072 0.000 2.771 695 F HA 0.068 4.594 4.527 -0.002 0.000 0.299 695 F C 1.718 177.522 175.800 0.006 0.000 1.177 695 F CA 0.573 58.524 58.000 -0.082 0.000 1.450 695 F CB 0.032 38.928 39.000 -0.173 0.000 1.114 695 F HN -0.100 nan 8.300 nan 0.000 0.587 696 K N -0.105 120.394 120.400 0.166 0.000 2.439 696 K HA -0.097 4.222 4.320 -0.002 0.000 0.197 696 K C 1.314 177.973 176.600 0.099 0.000 1.041 696 K CA 0.739 57.106 56.287 0.132 0.000 0.970 696 K CB -0.108 32.451 32.500 0.098 0.000 0.773 696 K HN 0.427 nan 8.250 nan 0.000 0.479 697 Q N 0.459 120.298 119.800 0.064 0.000 2.319 697 Q HA 0.059 4.398 4.340 -0.002 0.000 0.202 697 Q C 0.234 176.270 176.000 0.060 0.000 0.896 697 Q CA -0.040 55.790 55.803 0.046 0.000 0.942 697 Q CB 0.730 29.475 28.738 0.012 0.000 1.083 697 Q HN 0.102 nan 8.270 nan 0.000 0.510 698 V N -3.290 116.676 119.914 0.087 0.000 3.181 698 V HA 0.452 4.571 4.120 -0.002 0.000 0.308 698 V C -1.337 174.897 176.094 0.232 0.000 1.214 698 V CA -1.312 61.066 62.300 0.130 0.000 1.053 698 V CB 2.363 34.229 31.823 0.073 0.000 1.069 698 V HN -0.008 nan 8.190 nan 0.000 0.441 699 E N 1.576 121.944 120.200 0.280 0.000 2.174 699 E HA 0.417 4.766 4.350 -0.002 0.000 0.282 699 E C -1.852 175.117 176.600 0.615 0.000 0.992 699 E CA -0.320 56.317 56.400 0.395 0.000 0.803 699 E CB 2.149 31.999 29.700 0.250 0.000 1.090 699 E HN 0.733 nan 8.360 nan 0.000 0.396 700 Y N 2.901 123.480 120.300 0.466 0.000 2.409 700 Y HA 0.396 4.945 4.550 -0.002 0.000 0.343 700 Y C -1.559 174.444 175.900 0.171 0.000 0.973 700 Y CA -1.609 56.703 58.100 0.354 0.000 1.064 700 Y CB 1.325 40.015 38.460 0.382 0.000 1.207 700 Y HN 0.415 nan 8.280 nan 0.000 0.452 701 L N 7.772 128.743 121.223 -0.420 0.000 2.343 701 L HA 0.580 4.919 4.340 -0.002 0.000 0.278 701 L C -2.195 174.233 176.870 -0.736 0.000 0.996 701 L CA -0.930 53.484 54.840 -0.711 0.000 0.831 701 L CB 1.204 42.493 42.059 -1.283 0.000 1.232 701 L HN 0.625 nan 8.230 nan 0.000 0.413 702 L N 6.700 127.578 121.223 -0.576 0.000 2.296 702 L HA 0.716 5.055 4.340 -0.002 0.000 0.286 702 L C -1.089 175.641 176.870 -0.234 0.000 1.023 702 L CA -0.049 54.499 54.840 -0.487 0.000 0.812 702 L CB 1.237 43.048 42.059 -0.414 0.000 1.223 702 L HN 0.598 nan 8.230 nan 0.000 0.421 703 I N 4.469 124.912 120.570 -0.212 0.000 2.619 703 I HA 0.457 4.625 4.170 -0.002 0.000 0.292 703 I C -1.237 174.843 176.117 -0.061 0.000 1.100 703 I CA -0.650 60.576 61.300 -0.124 0.000 1.043 703 I CB 2.158 40.057 38.000 -0.167 0.000 1.239 703 I HN 0.677 nan 8.210 nan 0.000 0.420 704 H N 2.212 121.305 119.070 0.037 0.000 3.085 704 H HA 0.508 5.063 4.556 -0.002 0.000 0.356 704 H C -0.370 175.169 175.328 0.352 0.000 1.178 704 H CA -0.660 55.463 56.048 0.125 0.000 1.214 704 H CB 2.038 31.794 29.762 -0.010 0.000 1.881 704 H HN 0.754 nan 8.280 nan 0.000 0.538 705 G N 0.750 109.926 108.800 0.626 0.000 2.415 705 G HA2 0.216 4.175 3.960 -0.002 0.000 0.269 705 G HA3 0.216 4.175 3.960 -0.002 0.000 0.269 705 G C 1.121 176.311 174.900 0.484 0.000 1.209 705 G CA 0.165 45.573 45.100 0.514 0.000 0.835 705 G HN 0.736 nan 8.290 nan 0.000 0.534 706 T N -0.904 113.800 114.554 0.250 0.000 2.985 706 T HA 0.131 4.480 4.350 -0.002 0.000 0.266 706 T C 1.762 176.406 174.700 -0.093 0.000 1.076 706 T CA 1.193 63.264 62.100 -0.049 0.000 1.135 706 T CB 0.174 68.937 68.868 -0.176 0.000 0.890 706 T HN 0.671 nan 8.240 nan 0.000 0.480 707 A N 1.213 124.050 122.820 0.028 0.000 2.532 707 A HA 0.289 4.607 4.320 -0.002 0.000 0.273 707 A C 0.481 177.998 177.584 -0.112 0.000 1.342 707 A CA -0.467 51.541 52.037 -0.049 0.000 0.929 707 A CB -0.434 18.841 19.000 0.459 0.000 1.051 707 A HN 0.385 nan 8.150 nan 0.000 0.521 708 D N 1.544 121.909 120.400 -0.059 0.000 2.348 708 D HA -0.019 4.620 4.640 -0.002 0.000 0.259 708 D C 0.464 176.763 176.300 -0.001 0.000 1.296 708 D CA 0.138 54.225 54.000 0.146 0.000 0.931 708 D CB 0.579 41.621 40.800 0.403 0.000 1.067 708 D HN 0.586 nan 8.370 nan 0.000 0.503 709 D N 2.244 122.707 120.400 0.105 0.000 2.277 709 D HA -0.138 4.501 4.640 -0.002 0.000 0.208 709 D C 1.103 177.467 176.300 0.107 0.000 0.962 709 D CA 0.274 54.308 54.000 0.058 0.000 0.865 709 D CB 0.216 41.021 40.800 0.008 0.000 0.939 709 D HN 0.460 nan 8.370 nan 0.000 0.510 710 N N 0.178 119.036 118.700 0.264 0.000 2.272 710 N HA -0.057 4.682 4.740 -0.002 0.000 0.195 710 N C -0.111 175.400 175.510 0.001 0.000 1.048 710 N CA 0.281 53.506 53.050 0.291 0.000 0.912 710 N CB 0.579 39.218 38.487 0.254 0.000 1.096 710 N HN -0.162 nan 8.380 nan 0.000 0.471 711 V N 2.450 122.321 119.914 -0.071 0.000 2.320 711 V HA 0.170 4.289 4.120 -0.002 0.000 0.265 711 V C -0.790 175.374 176.094 0.116 0.000 1.048 711 V CA -0.258 62.014 62.300 -0.047 0.000 0.865 711 V CB -0.176 31.606 31.823 -0.068 0.000 1.043 711 V HN 0.340 nan 8.190 nan 0.000 0.474 712 H N 3.244 122.293 119.070 -0.036 0.000 2.871 712 H HA -0.016 4.539 4.556 -0.002 0.000 0.355 712 H C 0.801 175.970 175.328 -0.265 0.000 1.092 712 H CA -0.156 55.796 56.048 -0.160 0.000 1.420 712 H CB 0.829 30.427 29.762 -0.272 0.000 1.400 712 H HN 0.610 nan 8.280 nan 0.000 0.604 713 F N 1.792 121.513 119.950 -0.382 0.000 2.236 713 F HA -0.282 4.244 4.527 -0.002 0.000 0.302 713 F C 2.599 178.137 175.800 -0.437 0.000 1.073 713 F CA 1.668 59.256 58.000 -0.687 0.000 1.336 713 F CB -0.181 38.576 39.000 -0.405 0.000 1.040 713 F HN 0.653 nan 8.300 nan 0.000 0.507 714 Q N 0.138 119.818 119.800 -0.200 0.000 2.133 714 Q HA -0.309 4.030 4.340 -0.002 0.000 0.208 714 Q C 2.093 177.874 176.000 -0.365 0.000 0.991 714 Q CA 2.217 57.852 55.803 -0.279 0.000 0.867 714 Q CB -0.334 28.196 28.738 -0.347 0.000 0.911 714 Q HN 0.553 nan 8.270 nan 0.000 0.417 715 Q N -0.165 119.461 119.800 -0.290 0.000 2.045 715 Q HA -0.144 4.195 4.340 -0.002 0.000 0.206 715 Q C 2.251 178.161 176.000 -0.150 0.000 0.991 715 Q CA 1.918 57.661 55.803 -0.101 0.000 0.851 715 Q CB -0.221 28.520 28.738 0.005 0.000 0.911 715 Q HN 0.355 nan 8.270 nan 0.000 0.418 716 S N 0.622 116.140 115.700 -0.303 0.000 2.436 716 S HA 0.021 4.490 4.470 -0.002 0.000 0.228 716 S C 1.995 176.355 174.600 -0.400 0.000 1.014 716 S CA 0.654 58.667 58.200 -0.313 0.000 0.950 716 S CB -0.048 62.968 63.200 -0.306 0.000 0.784 716 S HN 0.458 nan 8.310 nan 0.000 0.504 717 A N 1.446 123.955 122.820 -0.519 0.000 1.933 717 A HA -0.110 4.208 4.320 -0.002 0.000 0.218 717 A C 2.130 179.628 177.584 -0.144 0.000 1.175 717 A CA 1.075 52.943 52.037 -0.282 0.000 0.628 717 A CB -0.389 18.523 19.000 -0.147 0.000 0.814 717 A HN 0.321 nan 8.150 nan 0.000 0.444 718 Q N -0.399 119.322 119.800 -0.133 0.000 2.230 718 Q HA 0.006 4.345 4.340 -0.002 0.000 0.202 718 Q C 2.067 178.022 176.000 -0.075 0.000 0.963 718 Q CA 0.908 56.682 55.803 -0.049 0.000 0.866 718 Q CB -0.319 28.462 28.738 0.072 0.000 0.931 718 Q HN 0.784 nan 8.270 nan 0.000 0.452 719 I N 0.897 121.392 120.570 -0.125 0.000 2.163 719 I HA -0.275 3.894 4.170 -0.002 0.000 0.240 719 I C 2.493 178.450 176.117 -0.266 0.000 1.081 719 I CA 1.412 62.592 61.300 -0.199 0.000 1.353 719 I CB -0.491 37.389 38.000 -0.200 0.000 1.054 719 I HN 0.184 nan 8.210 nan 0.000 0.407 720 S N 1.100 116.664 115.700 -0.227 0.000 2.374 720 S HA -0.317 4.152 4.470 -0.002 0.000 0.227 720 S C 2.024 176.600 174.600 -0.040 0.000 1.037 720 S CA 1.782 59.883 58.200 -0.164 0.000 1.024 720 S CB -0.542 62.706 63.200 0.081 0.000 0.861 720 S HN 0.388 nan 8.310 nan 0.000 0.456 721 K N 1.765 122.145 120.400 -0.033 0.000 2.097 721 K HA 0.044 4.363 4.320 -0.002 0.000 0.206 721 K C 2.264 178.849 176.600 -0.025 0.000 1.049 721 K CA 1.143 57.428 56.287 -0.003 0.000 0.933 721 K CB -0.688 31.807 32.500 -0.007 0.000 0.717 721 K HN 0.452 nan 8.250 nan 0.000 0.442 722 A N 1.013 123.786 122.820 -0.078 0.000 1.930 722 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 722 A C 2.084 179.607 177.584 -0.101 0.000 1.175 722 A CA 1.211 53.196 52.037 -0.087 0.000 0.627 722 A CB -0.551 18.377 19.000 -0.119 0.000 0.815 722 A HN 0.315 nan 8.150 nan 0.000 0.443 723 L N -0.676 120.441 121.223 -0.177 0.000 2.017 723 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 723 L C 2.521 179.420 176.870 0.047 0.000 1.073 723 L CA 1.078 55.826 54.840 -0.153 0.000 0.745 723 L CB -0.621 41.185 42.059 -0.422 0.000 0.894 723 L HN 0.229 nan 8.230 nan 0.000 0.432 724 V N -0.179 119.803 119.914 0.115 0.000 2.407 724 V HA -0.293 3.826 4.120 -0.002 0.000 0.248 724 V C 1.889 178.026 176.094 0.072 0.000 1.055 724 V CA 1.850 64.234 62.300 0.140 0.000 1.049 724 V CB -0.545 31.359 31.823 0.135 0.000 0.662 724 V HN 0.436 nan 8.190 nan 0.000 0.455 725 D N 0.060 120.483 120.400 0.039 0.000 2.350 725 D HA -0.079 4.560 4.640 -0.002 0.000 0.216 725 D C 1.525 177.841 176.300 0.026 0.000 0.968 725 D CA 1.417 55.432 54.000 0.026 0.000 0.894 725 D CB 0.066 40.872 40.800 0.010 0.000 0.909 725 D HN 0.577 nan 8.370 nan 0.000 0.520 726 V N -4.426 115.506 119.914 0.031 0.000 3.276 726 V HA 0.532 4.651 4.120 -0.002 0.000 0.319 726 V C 1.103 177.230 176.094 0.055 0.000 1.427 726 V CA 0.091 62.413 62.300 0.036 0.000 1.102 726 V CB 0.094 31.934 31.823 0.028 0.000 1.020 726 V HN 0.076 nan 8.190 nan 0.000 0.456 727 G N 0.683 109.524 108.800 0.068 0.000 2.272 727 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.280 727 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.280 727 G C -0.103 174.863 174.900 0.109 0.000 1.067 727 G CA 0.329 45.477 45.100 0.081 0.000 0.902 727 G HN 0.893 nan 8.290 nan 0.000 0.500 728 V N 0.411 120.414 119.914 0.149 0.000 2.394 728 V HA 0.488 4.607 4.120 -0.002 0.000 0.282 728 V C 0.321 176.610 176.094 0.325 0.000 1.031 728 V CA -0.481 61.943 62.300 0.205 0.000 0.881 728 V CB 1.813 33.743 31.823 0.179 0.000 0.982 728 V HN 0.463 nan 8.190 nan 0.000 0.451 729 D N 4.078 124.639 120.400 0.269 0.000 2.255 729 D HA 0.643 5.282 4.640 -0.002 0.000 0.249 729 D C -0.601 175.925 176.300 0.376 0.000 1.078 729 D CA 0.079 54.210 54.000 0.219 0.000 0.896 729 D CB 0.921 41.790 40.800 0.114 0.000 1.194 729 D HN 0.362 nan 8.370 nan 0.000 0.429 730 F N -0.284 119.747 119.950 0.136 0.000 2.817 730 F HA 0.470 4.996 4.527 -0.002 0.000 0.317 730 F C -1.630 174.232 175.800 0.103 0.000 1.168 730 F CA -1.157 56.947 58.000 0.174 0.000 0.911 730 F CB 0.832 39.972 39.000 0.232 0.000 1.337 730 F HN 0.051 nan 8.300 nan 0.000 0.464 731 Q N 1.498 121.399 119.800 0.168 0.000 2.282 731 Q HA 0.797 5.136 4.340 -0.002 0.000 0.260 731 Q C -0.814 175.194 176.000 0.013 0.000 0.964 731 Q CA -0.733 55.067 55.803 -0.004 0.000 0.880 731 Q CB 1.978 30.739 28.738 0.039 0.000 1.286 731 Q HN 1.015 nan 8.270 nan 0.000 0.445 732 A N 2.091 124.882 122.820 -0.049 0.000 2.469 732 A HA 0.889 5.208 4.320 -0.002 0.000 0.299 732 A C -1.144 176.383 177.584 -0.094 0.000 1.098 732 A CA -0.605 51.437 52.037 0.007 0.000 0.737 732 A CB 1.853 20.935 19.000 0.136 0.000 1.312 732 A HN 0.618 nan 8.150 nan 0.000 0.414 733 M N 1.396 120.919 119.600 -0.129 0.000 2.274 733 M HA 0.554 5.033 4.480 -0.002 0.000 0.272 733 M C -2.124 174.011 176.300 -0.274 0.000 1.053 733 M CA -0.653 54.419 55.300 -0.380 0.000 0.978 733 M CB 1.191 33.471 32.600 -0.534 0.000 1.836 733 M HN 0.944 nan 8.290 nan 0.000 0.484 734 W N 4.722 125.829 121.300 -0.322 0.000 2.627 734 W HA 0.785 5.444 4.660 -0.002 0.000 0.339 734 W C -2.155 174.078 176.519 -0.476 0.000 1.058 734 W CA -0.905 56.335 57.345 -0.174 0.000 1.223 734 W CB 0.524 29.959 29.460 -0.043 0.000 1.389 734 W HN 0.608 nan 8.180 nan 0.000 0.541 735 Y N 2.767 123.183 120.300 0.194 0.000 2.464 735 Y HA 0.310 4.859 4.550 -0.002 0.000 0.326 735 Y C 0.571 176.592 175.900 0.200 0.000 0.969 735 Y CA -1.200 56.937 58.100 0.060 0.000 1.270 735 Y CB 1.147 39.618 38.460 0.019 0.000 1.103 735 Y HN 0.436 nan 8.280 nan 0.000 0.491 736 T N 4.455 119.205 114.554 0.327 0.000 2.866 736 T HA -0.044 4.305 4.350 -0.002 0.000 0.293 736 T C 0.250 175.026 174.700 0.128 0.000 1.005 736 T CA 0.669 62.900 62.100 0.217 0.000 1.162 736 T CB -0.096 68.844 68.868 0.119 0.000 0.968 736 T HN 0.686 nan 8.240 nan 0.000 0.530 737 D N 0.722 121.151 120.400 0.047 0.000 3.077 737 D HA -0.130 4.509 4.640 -0.002 0.000 0.217 737 D C 0.263 176.681 176.300 0.196 0.000 1.162 737 D CA 1.165 55.106 54.000 -0.098 0.000 0.943 737 D CB -0.380 40.156 40.800 -0.440 0.000 1.122 737 D HN 0.558 nan 8.370 nan 0.000 0.413 738 E N 0.902 121.243 120.200 0.236 0.000 2.301 738 E HA 0.273 4.622 4.350 -0.002 0.000 0.275 738 E C 0.687 177.476 176.600 0.315 0.000 1.030 738 E CA -0.332 56.231 56.400 0.272 0.000 0.852 738 E CB 1.237 31.091 29.700 0.257 0.000 1.060 738 E HN 0.335 nan 8.360 nan 0.000 0.401 739 D N 0.228 120.826 120.400 0.330 0.000 2.496 739 D HA -0.044 4.595 4.640 -0.002 0.000 0.283 739 D C 1.097 177.645 176.300 0.413 0.000 1.214 739 D CA -0.100 54.121 54.000 0.368 0.000 1.089 739 D CB -0.044 40.990 40.800 0.390 0.000 1.141 739 D HN 0.426 nan 8.370 nan 0.000 0.580 740 H N -1.670 117.602 119.070 0.336 0.000 2.489 740 H HA 0.066 4.620 4.556 -0.002 0.000 0.295 740 H C 1.792 177.389 175.328 0.448 0.000 1.082 740 H CA 2.096 58.368 56.048 0.373 0.000 1.295 740 H CB -0.360 29.610 29.762 0.346 0.000 1.380 740 H HN 0.490 nan 8.280 nan 0.000 0.548 741 G N -0.473 108.492 108.800 0.274 0.000 2.838 741 G HA2 0.059 4.018 3.960 -0.002 0.000 0.210 741 G HA3 0.059 4.018 3.960 -0.002 0.000 0.210 741 G C 0.678 175.726 174.900 0.246 0.000 1.153 741 G CA 0.233 45.405 45.100 0.121 0.000 0.778 741 G HN 0.505 nan 8.290 nan 0.000 0.539 742 I N 0.139 120.896 120.570 0.310 0.000 5.200 742 I HA -0.336 3.833 4.170 -0.002 0.000 0.126 742 I C 1.588 177.821 176.117 0.193 0.000 1.374 742 I CA 0.220 61.663 61.300 0.238 0.000 2.633 742 I CB -1.273 36.878 38.000 0.252 0.000 2.409 742 I HN 0.266 nan 8.210 nan 0.000 0.319 743 A N 0.965 123.872 122.820 0.144 0.000 2.379 743 A HA 0.277 4.596 4.320 -0.002 0.000 0.236 743 A C 1.200 178.822 177.584 0.062 0.000 1.272 743 A CA 0.533 52.618 52.037 0.080 0.000 0.886 743 A CB 0.015 19.023 19.000 0.014 0.000 0.962 743 A HN 0.647 nan 8.150 nan 0.000 0.504 744 S N -0.630 115.124 115.700 0.091 0.000 2.579 744 S HA 0.163 4.632 4.470 -0.002 0.000 0.275 744 S C 1.260 175.907 174.600 0.079 0.000 1.345 744 S CA 0.366 58.614 58.200 0.080 0.000 1.031 744 S CB 1.098 64.354 63.200 0.092 0.000 0.892 744 S HN 0.468 nan 8.310 nan 0.000 0.529 745 S N 2.119 117.854 115.700 0.058 0.000 2.359 745 S HA -0.193 4.276 4.470 -0.002 0.000 0.223 745 S C 2.114 176.769 174.600 0.092 0.000 1.039 745 S CA 2.457 60.693 58.200 0.061 0.000 1.042 745 S CB -1.607 61.613 63.200 0.034 0.000 0.915 745 S HN 1.057 nan 8.310 nan 0.000 0.439 746 T N -0.072 114.527 114.554 0.075 0.000 2.737 746 T HA 0.144 4.493 4.350 -0.002 0.000 0.265 746 T C 1.990 176.739 174.700 0.081 0.000 1.038 746 T CA 1.360 63.507 62.100 0.079 0.000 1.144 746 T CB -0.988 67.924 68.868 0.073 0.000 0.866 746 T HN 0.465 nan 8.240 nan 0.000 0.434 747 A N 1.292 124.134 122.820 0.036 0.000 1.969 747 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 747 A C 2.178 179.687 177.584 -0.125 0.000 1.169 747 A CA 1.959 53.927 52.037 -0.115 0.000 0.635 747 A CB -1.142 17.760 19.000 -0.164 0.000 0.810 747 A HN 0.770 nan 8.150 nan 0.000 0.445 748 H N -0.064 118.979 119.070 -0.046 0.000 2.321 748 H HA -0.106 4.449 4.556 -0.002 0.000 0.300 748 H C 2.075 177.467 175.328 0.106 0.000 1.087 748 H CA 2.299 58.377 56.048 0.050 0.000 1.319 748 H CB -0.188 29.609 29.762 0.059 0.000 1.379 748 H HN 0.576 nan 8.280 nan 0.000 0.501 749 Q N -1.033 118.755 119.800 -0.021 0.000 2.119 749 Q HA -0.157 4.182 4.340 -0.002 0.000 0.201 749 Q C 2.158 178.134 176.000 -0.040 0.000 0.972 749 Q CA 1.163 56.920 55.803 -0.077 0.000 0.847 749 Q CB -0.132 28.598 28.738 -0.013 0.000 0.903 749 Q HN 0.594 nan 8.270 nan 0.000 0.433 750 H N 0.978 120.010 119.070 -0.063 0.000 2.321 750 H HA -0.090 4.465 4.556 -0.002 0.000 0.300 750 H C 1.989 177.317 175.328 0.000 0.000 1.087 750 H CA 1.441 57.487 56.048 -0.004 0.000 1.319 750 H CB -0.061 29.741 29.762 0.066 0.000 1.379 750 H HN 0.296 nan 8.280 nan 0.000 0.501 751 I N -0.088 120.491 120.570 0.014 0.000 2.202 751 I HA -0.319 3.850 4.170 -0.002 0.000 0.242 751 I C 1.860 177.810 176.117 -0.278 0.000 1.091 751 I CA 1.253 62.503 61.300 -0.083 0.000 1.368 751 I CB -0.323 37.433 38.000 -0.408 0.000 1.058 751 I HN 0.101 nan 8.210 nan 0.000 0.410 752 Y N 1.119 121.242 120.300 -0.295 0.000 2.274 752 Y HA -0.218 4.331 4.550 -0.002 0.000 0.290 752 Y C 2.737 178.451 175.900 -0.309 0.000 1.145 752 Y CA 1.916 59.721 58.100 -0.493 0.000 1.203 752 Y CB -0.897 37.280 38.460 -0.473 0.000 0.984 752 Y HN 0.178 nan 8.280 nan 0.000 0.533 753 T N -1.764 112.738 114.554 -0.088 0.000 2.777 753 T HA -0.217 4.132 4.350 -0.002 0.000 0.266 753 T C 1.563 176.155 174.700 -0.180 0.000 1.040 753 T CA 1.811 63.814 62.100 -0.161 0.000 1.141 753 T CB -0.379 68.379 68.868 -0.182 0.000 0.868 753 T HN 0.424 nan 8.240 nan 0.000 0.444 754 H N 0.791 119.776 119.070 -0.142 0.000 2.326 754 H HA 0.152 4.707 4.556 -0.002 0.000 0.301 754 H C 2.164 177.495 175.328 0.004 0.000 1.081 754 H CA 1.466 57.505 56.048 -0.015 0.000 1.334 754 H CB -0.207 29.574 29.762 0.031 0.000 1.385 754 H HN 0.238 nan 8.280 nan 0.000 0.504 755 M N -0.791 118.767 119.600 -0.071 0.000 2.213 755 M HA -0.154 4.325 4.480 -0.002 0.000 0.263 755 M C 2.349 178.767 176.300 0.197 0.000 1.062 755 M CA 1.328 56.571 55.300 -0.095 0.000 1.105 755 M CB 0.032 32.306 32.600 -0.542 0.000 1.385 755 M HN 0.205 nan 8.290 nan 0.000 0.417 756 S N -0.670 115.162 115.700 0.221 0.000 2.368 756 S HA -0.141 4.328 4.470 -0.002 0.000 0.225 756 S C 1.688 176.399 174.600 0.184 0.000 1.030 756 S CA 0.969 59.393 58.200 0.374 0.000 0.999 756 S CB -0.486 62.895 63.200 0.301 0.000 0.844 756 S HN 0.468 nan 8.310 nan 0.000 0.459 757 H N -0.221 118.920 119.070 0.118 0.000 2.353 757 H HA -0.024 4.531 4.556 -0.002 0.000 0.300 757 H C 1.949 177.298 175.328 0.036 0.000 1.090 757 H CA 1.171 57.244 56.048 0.042 0.000 1.327 757 H CB -0.702 29.035 29.762 -0.041 0.000 1.383 757 H HN 0.415 nan 8.280 nan 0.000 0.508 758 F N 1.200 121.155 119.950 0.009 0.000 2.102 758 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 758 F C 2.294 178.067 175.800 -0.044 0.000 1.105 758 F CA 0.847 58.823 58.000 -0.040 0.000 1.239 758 F CB -0.281 38.674 39.000 -0.074 0.000 0.991 758 F HN -0.039 nan 8.300 nan 0.000 0.474 759 I N 0.611 121.232 120.570 0.086 0.000 2.163 759 I HA -0.291 3.878 4.170 -0.002 0.000 0.243 759 I C 2.192 178.145 176.117 -0.273 0.000 1.085 759 I CA 1.598 62.787 61.300 -0.186 0.000 1.347 759 I CB -1.387 36.563 38.000 -0.083 0.000 1.044 759 I HN 0.178 nan 8.210 nan 0.000 0.408 760 K N 0.000 120.370 120.400 -0.050 0.000 2.283 760 K HA -0.175 4.144 4.320 -0.002 0.000 0.202 760 K C 2.107 178.707 176.600 0.000 0.000 1.048 760 K CA 0.661 56.964 56.287 0.027 0.000 0.948 760 K CB -0.035 32.529 32.500 0.108 0.000 0.742 760 K HN 0.283 nan 8.250 nan 0.000 0.458 761 Q N 0.580 120.328 119.800 -0.086 0.000 2.089 761 Q HA -0.122 4.217 4.340 -0.002 0.000 0.195 761 Q C 2.229 178.137 176.000 -0.153 0.000 0.963 761 Q CA 1.347 57.082 55.803 -0.113 0.000 0.834 761 Q CB -0.489 28.151 28.738 -0.164 0.000 0.906 761 Q HN 0.404 nan 8.270 nan 0.000 0.452 762 c N 0.416 118.825 118.600 -0.319 0.000 2.422 762 c HA -0.049 4.520 4.570 -0.002 0.000 0.279 762 c C 2.101 176.239 174.090 0.081 0.000 1.305 762 c CA 0.420 56.597 56.329 -0.252 0.000 1.757 762 c CB -1.253 40.969 42.510 -0.478 0.000 1.962 762 c HN 0.469 nan 8.230 nan 0.000 0.499 763 F N 2.198 122.114 119.950 -0.057 0.000 2.727 763 F HA 0.266 4.792 4.527 -0.002 0.000 0.302 763 F C 1.664 177.452 175.800 -0.020 0.000 1.097 763 F CA -0.011 57.976 58.000 -0.021 0.000 1.330 763 F CB -1.122 37.874 39.000 -0.007 0.000 1.084 763 F HN 0.233 nan 8.300 nan 0.000 0.578 764 S N 1.418 117.207 115.700 0.148 0.000 2.558 764 S HA 0.191 4.660 4.470 -0.002 0.000 0.293 764 S C -0.542 174.094 174.600 0.061 0.000 1.292 764 S CA -0.329 57.919 58.200 0.080 0.000 1.063 764 S CB 0.932 64.155 63.200 0.038 0.000 0.831 764 S HN 0.187 nan 8.310 nan 0.000 0.499 765 L N 4.573 125.818 121.223 0.038 0.000 2.415 765 L HA 0.538 4.877 4.340 -0.002 0.000 0.268 765 L C -1.698 175.176 176.870 0.006 0.000 0.984 765 L CA -1.240 53.609 54.840 0.015 0.000 0.853 765 L CB 0.935 42.992 42.059 -0.004 0.000 1.215 765 L HN 0.844 nan 8.230 nan 0.000 0.419 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.101 63.100 0.001 0.000 0.800 766 P CB 0.000 31.702 31.700 0.003 0.000 0.726