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_B 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 0.000 176.333 176.300 0.056 0.000 2.045 38 D CA 0.000 54.013 54.000 0.021 0.000 0.868 38 D CB 0.000 40.860 40.800 0.100 0.000 0.688 39 S N 2.393 118.124 115.700 0.053 0.000 2.575 39 S HA 0.196 4.666 4.470 0.000 0.000 0.215 39 S C 0.925 175.567 174.600 0.069 0.000 0.966 39 S CA -0.274 57.958 58.200 0.054 0.000 0.911 39 S CB 0.213 63.438 63.200 0.041 0.000 0.780 39 S HN 0.325 nan 8.310 nan 0.000 0.514 40 R N 2.506 123.056 120.500 0.085 0.000 2.694 40 R HA 0.211 4.552 4.340 0.000 0.000 0.268 40 R C 0.335 176.695 176.300 0.099 0.000 1.061 40 R CA -0.146 56.007 56.100 0.089 0.000 1.133 40 R CB 0.465 30.820 30.300 0.092 0.000 1.020 40 R HN 0.529 nan 8.270 nan 0.000 0.475 41 K N 0.274 120.736 120.400 0.103 0.000 2.258 41 K HA 0.115 4.435 4.320 0.000 0.000 0.264 41 K C 0.066 176.745 176.600 0.133 0.000 1.007 41 K CA -0.538 55.818 56.287 0.115 0.000 0.941 41 K CB 0.704 33.278 32.500 0.124 0.000 0.966 41 K HN 0.617 nan 8.250 nan 0.000 0.480 42 T N -1.320 113.319 114.554 0.142 0.000 2.849 42 T HA 0.120 4.470 4.350 0.000 0.000 0.276 42 T C -0.582 174.257 174.700 0.232 0.000 0.971 42 T CA -0.745 61.455 62.100 0.166 0.000 0.949 42 T CB 0.386 69.347 68.868 0.154 0.000 1.093 42 T HN 0.567 nan 8.240 nan 0.000 0.545 43 Y N 2.200 122.583 120.300 0.138 0.000 2.504 43 Y HA 0.383 4.933 4.550 0.000 0.000 0.351 43 Y C 0.966 177.032 175.900 0.276 0.000 0.988 43 Y CA -0.481 57.740 58.100 0.203 0.000 1.239 43 Y CB -0.101 38.446 38.460 0.145 0.000 1.128 43 Y HN 1.025 nan 8.280 nan 0.000 0.525 44 T N 2.172 116.731 114.554 0.008 0.000 2.824 44 T HA 0.098 4.449 4.350 0.000 0.000 0.277 44 T C 0.973 175.571 174.700 -0.169 0.000 0.975 44 T CA -0.672 61.471 62.100 0.072 0.000 0.966 44 T CB 1.121 69.990 68.868 0.002 0.000 1.054 44 T HN 0.689 nan 8.240 nan 0.000 0.533 45 L N 0.785 121.728 121.223 -0.467 0.000 2.083 45 L HA 0.042 4.382 4.340 0.000 0.000 0.209 45 L C 2.597 179.310 176.870 -0.262 0.000 1.083 45 L CA 2.079 56.526 54.840 -0.656 0.000 0.752 45 L CB -1.503 40.064 42.059 -0.819 0.000 0.899 45 L HN 0.948 nan 8.230 nan 0.000 0.433 46 T N -0.425 113.999 114.554 -0.217 0.000 2.788 46 T HA -0.147 4.203 4.350 0.000 0.000 0.268 46 T C 1.450 176.041 174.700 -0.183 0.000 1.044 46 T CA 1.441 63.442 62.100 -0.165 0.000 1.139 46 T CB -0.349 68.445 68.868 -0.122 0.000 0.867 46 T HN 0.425 nan 8.240 nan 0.000 0.454 47 D N 0.252 120.501 120.400 -0.251 0.000 2.097 47 D HA -0.092 4.549 4.640 0.000 0.000 0.195 47 D C 1.788 177.981 176.300 -0.177 0.000 0.989 47 D CA 1.051 54.866 54.000 -0.308 0.000 0.827 47 D CB -0.444 40.045 40.800 -0.519 0.000 0.966 47 D HN 0.418 nan 8.370 nan 0.000 0.456 48 Y N 1.885 122.016 120.300 -0.282 0.000 2.114 48 Y HA -0.151 4.399 4.550 0.000 0.000 0.284 48 Y C 2.218 178.116 175.900 -0.004 0.000 1.143 48 Y CA 1.292 59.398 58.100 0.011 0.000 1.135 48 Y CB -0.680 37.843 38.460 0.105 0.000 0.980 48 Y HN -0.111 nan 8.280 nan 0.000 0.499 49 L N 0.045 121.060 121.223 -0.346 0.000 2.191 49 L HA -0.183 4.157 4.340 0.000 0.000 0.212 49 L C 1.865 178.605 176.870 -0.218 0.000 1.103 49 L CA 1.349 55.948 54.840 -0.402 0.000 0.769 49 L CB -0.466 41.433 42.059 -0.267 0.000 0.908 49 L HN 0.141 nan 8.230 nan 0.000 0.438 50 K N -0.490 119.813 120.400 -0.162 0.000 2.358 50 K HA 0.138 4.458 4.320 0.000 0.000 0.197 50 K C 0.209 176.753 176.600 -0.092 0.000 1.025 50 K CA -0.052 56.167 56.287 -0.114 0.000 1.104 50 K CB 0.120 32.553 32.500 -0.112 0.000 0.855 50 K HN 0.231 nan 8.250 nan 0.000 0.531 51 N N 1.033 119.690 118.700 -0.072 0.000 2.754 51 N HA -0.151 4.589 4.740 0.000 0.000 0.248 51 N C 0.323 175.806 175.510 -0.046 0.000 1.093 51 N CA 0.995 54.043 53.050 -0.003 0.000 0.699 51 N CB -1.758 36.727 38.487 -0.004 0.000 1.016 51 N HN 0.136 nan 8.380 nan 0.000 0.552 52 T N -0.989 113.467 114.554 -0.163 0.000 2.822 52 T HA -0.186 4.164 4.350 0.000 0.000 0.270 52 T C 0.374 174.779 174.700 -0.491 0.000 1.064 52 T CA 1.415 63.279 62.100 -0.394 0.000 1.131 52 T CB -0.163 68.315 68.868 -0.649 0.000 0.858 52 T HN 0.365 nan 8.240 nan 0.000 0.483 53 Y N 1.280 121.667 120.300 0.146 0.000 2.447 53 Y HA 0.479 5.030 4.550 0.000 0.000 0.325 53 Y C 0.307 176.311 175.900 0.173 0.000 0.976 53 Y CA -1.282 56.926 58.100 0.179 0.000 1.280 53 Y CB 0.589 39.212 38.460 0.272 0.000 1.104 53 Y HN -0.156 nan 8.280 nan 0.000 0.486 54 R N 2.993 123.635 120.500 0.238 0.000 2.349 54 R HA 0.514 4.854 4.340 0.000 0.000 0.299 54 R C -0.814 175.598 176.300 0.187 0.000 1.027 54 R CA -0.820 55.389 56.100 0.183 0.000 0.958 54 R CB 1.284 31.650 30.300 0.110 0.000 1.047 54 R HN 0.591 nan 8.270 nan 0.000 0.468 55 L N 3.796 125.132 121.223 0.189 0.000 2.361 55 L HA 0.198 4.538 4.340 0.000 0.000 0.278 55 L C 0.550 177.509 176.870 0.148 0.000 1.113 55 L CA 0.013 54.964 54.840 0.184 0.000 0.849 55 L CB 0.454 42.643 42.059 0.217 0.000 1.155 55 L HN 0.360 nan 8.230 nan 0.000 0.452 56 K N 4.077 124.557 120.400 0.134 0.000 2.237 56 K HA 0.507 4.827 4.320 0.000 0.000 0.270 56 K C -0.492 176.168 176.600 0.100 0.000 1.015 56 K CA -0.276 56.071 56.287 0.100 0.000 0.949 56 K CB 0.967 33.521 32.500 0.091 0.000 0.976 56 K HN 0.428 nan 8.250 nan 0.000 0.472 57 L N 1.190 122.407 121.223 -0.010 0.000 2.211 57 L HA 0.492 4.832 4.340 0.000 0.000 0.259 57 L C -0.898 175.746 176.870 -0.376 0.000 1.031 57 L CA -1.097 53.625 54.840 -0.196 0.000 0.877 57 L CB 0.819 42.847 42.059 -0.052 0.000 1.457 57 L HN 0.556 nan 8.230 nan 0.000 0.466 58 Y N 0.137 119.981 120.300 -0.761 0.000 2.583 58 Y HA 0.291 4.841 4.550 0.000 0.000 0.303 58 Y C -0.758 175.018 175.900 -0.206 0.000 1.108 58 Y CA -0.469 57.368 58.100 -0.439 0.000 1.252 58 Y CB 1.101 39.111 38.460 -0.750 0.000 1.114 58 Y HN 0.415 nan 8.280 nan 0.000 0.594 59 S N 5.114 120.744 115.700 -0.117 0.000 2.422 59 S HA 0.493 4.963 4.470 0.000 0.000 0.283 59 S C -0.432 174.116 174.600 -0.087 0.000 1.163 59 S CA -0.387 57.769 58.200 -0.075 0.000 1.054 59 S CB -0.288 62.858 63.200 -0.091 0.000 0.967 59 S HN 0.550 nan 8.310 nan 0.000 0.499 60 L N 1.711 122.868 121.223 -0.111 0.000 2.286 60 L HA 0.807 5.147 4.340 0.000 0.000 0.265 60 L C -0.245 176.510 176.870 -0.190 0.000 1.012 60 L CA -0.961 53.753 54.840 -0.210 0.000 0.818 60 L CB 1.150 42.790 42.059 -0.697 0.000 1.337 60 L HN 0.457 nan 8.230 nan 0.000 0.438 61 R N 0.669 121.079 120.500 -0.151 0.000 2.500 61 R HA 0.353 4.693 4.340 0.000 0.000 0.299 61 R C -1.915 174.386 176.300 0.002 0.000 1.038 61 R CA -0.455 55.623 56.100 -0.038 0.000 0.903 61 R CB 0.868 31.192 30.300 0.040 0.000 1.177 61 R HN 0.803 nan 8.270 nan 0.000 0.455 62 W N 6.201 127.608 121.300 0.178 0.000 2.381 62 W HA 0.141 4.801 4.660 0.000 0.000 0.321 62 W C 1.507 178.122 176.519 0.160 0.000 1.407 62 W CA -0.449 57.018 57.345 0.203 0.000 1.274 62 W CB 0.556 30.128 29.460 0.187 0.000 1.310 62 W HN 0.585 nan 8.180 nan 0.000 0.551 63 I N 0.715 121.498 120.570 0.355 0.000 4.018 63 I HA 0.310 4.480 4.170 0.000 0.000 0.337 63 I C 0.615 176.877 176.117 0.243 0.000 1.327 63 I CA -0.072 61.363 61.300 0.225 0.000 1.100 63 I CB -0.343 37.721 38.000 0.107 0.000 1.025 63 I HN 0.287 nan 8.210 nan 0.000 0.396 64 S N -0.435 115.465 115.700 0.333 0.000 2.714 64 S HA 0.197 4.667 4.470 0.000 0.000 0.280 64 S C -0.241 174.541 174.600 0.303 0.000 1.200 64 S CA -0.142 58.236 58.200 0.296 0.000 0.900 64 S CB 1.315 64.694 63.200 0.298 0.000 1.235 64 S HN 0.105 nan 8.310 nan 0.000 0.512 65 D N -0.928 119.621 120.400 0.249 0.000 2.339 65 D HA 0.267 4.907 4.640 0.000 0.000 0.217 65 D C 0.787 176.986 176.300 -0.167 0.000 1.050 65 D CA 0.749 54.745 54.000 -0.006 0.000 0.856 65 D CB 0.018 40.748 40.800 -0.116 0.000 0.922 65 D HN 0.588 nan 8.370 nan 0.000 0.518 66 H N -1.587 117.628 119.070 0.241 0.000 3.440 66 H HA 0.457 5.013 4.556 0.000 0.000 0.259 66 H C -0.114 175.303 175.328 0.149 0.000 1.120 66 H CA -0.216 55.930 56.048 0.164 0.000 1.191 66 H CB 0.716 30.560 29.762 0.136 0.000 1.537 66 H HN 0.001 nan 8.280 nan 0.000 0.547 67 E N 0.315 120.753 120.200 0.397 0.000 2.392 67 E HA 0.434 4.785 4.350 0.000 0.000 0.269 67 E C -1.509 175.289 176.600 0.331 0.000 0.924 67 E CA -1.329 55.217 56.400 0.242 0.000 0.784 67 E CB 2.964 32.742 29.700 0.131 0.000 1.292 67 E HN 0.169 nan 8.360 nan 0.000 0.447 68 Y N -1.243 119.069 120.300 0.020 0.000 2.571 68 Y HA 0.567 5.117 4.550 0.000 0.000 0.341 68 Y C -1.744 174.125 175.900 -0.052 0.000 1.076 68 Y CA -1.277 56.712 58.100 -0.185 0.000 1.029 68 Y CB 0.651 38.607 38.460 -0.839 0.000 1.308 68 Y HN 0.332 nan 8.280 nan 0.000 0.461 69 L N 3.421 124.755 121.223 0.185 0.000 2.357 69 L HA 0.508 4.848 4.340 0.000 0.000 0.273 69 L C -1.194 175.853 176.870 0.296 0.000 1.080 69 L CA -0.944 53.989 54.840 0.155 0.000 0.803 69 L CB 1.402 43.458 42.059 -0.004 0.000 1.174 69 L HN 0.808 nan 8.230 nan 0.000 0.443 70 Y N 2.084 122.474 120.300 0.149 0.000 2.479 70 Y HA 0.296 4.846 4.550 0.000 0.000 0.338 70 Y C -0.640 175.293 175.900 0.054 0.000 1.055 70 Y CA -1.169 56.949 58.100 0.030 0.000 1.023 70 Y CB 1.574 40.007 38.460 -0.045 0.000 1.287 70 Y HN 0.330 nan 8.280 nan 0.000 0.447 71 K N 5.217 125.228 120.400 -0.648 0.000 2.183 71 K HA 0.116 4.436 4.320 0.000 0.000 0.272 71 K C -0.166 176.124 176.600 -0.516 0.000 1.113 71 K CA -0.048 55.988 56.287 -0.419 0.000 0.949 71 K CB 0.810 33.141 32.500 -0.280 0.000 1.365 71 K HN 0.837 nan 8.250 nan 0.000 0.420 72 Q N 1.521 121.227 119.800 -0.157 0.000 2.306 72 Q HA -0.015 4.325 4.340 0.000 0.000 0.175 72 Q C 1.072 177.049 176.000 -0.038 0.000 1.107 72 Q CA 0.503 56.312 55.803 0.011 0.000 1.170 72 Q CB 0.468 29.302 28.738 0.160 0.000 1.376 72 Q HN 0.388 nan 8.270 nan 0.000 0.618 73 E N 0.082 120.288 120.200 0.011 0.000 2.722 73 E HA -0.372 3.978 4.350 0.000 0.000 0.245 73 E C 0.696 177.277 176.600 -0.032 0.000 1.004 73 E CA 2.339 58.737 56.400 -0.005 0.000 1.405 73 E CB -0.339 29.362 29.700 0.002 0.000 1.325 73 E HN 0.670 nan 8.360 nan 0.000 0.479 74 N N -0.193 118.484 118.700 -0.038 0.000 1.839 74 N HA -0.035 4.705 4.740 0.000 0.000 0.232 74 N C -0.766 174.707 175.510 -0.062 0.000 1.425 74 N CA 0.343 53.364 53.050 -0.047 0.000 0.743 74 N CB 0.327 38.795 38.487 -0.031 0.000 1.044 74 N HN 0.214 nan 8.380 nan 0.000 0.519 75 N N 0.599 119.266 118.700 -0.055 0.000 2.458 75 N HA 0.393 5.133 4.740 0.000 0.000 0.271 75 N C -0.153 175.322 175.510 -0.059 0.000 1.210 75 N CA -0.177 52.834 53.050 -0.065 0.000 0.978 75 N CB 1.096 39.555 38.487 -0.047 0.000 1.206 75 N HN -0.002 nan 8.380 nan 0.000 0.536 76 I N -0.037 120.501 120.570 -0.052 0.000 2.359 76 I HA 0.315 4.485 4.170 0.000 0.000 0.294 76 I C -0.331 175.843 176.117 0.094 0.000 0.987 76 I CA -0.749 60.548 61.300 -0.006 0.000 1.225 76 I CB 0.647 38.610 38.000 -0.062 0.000 1.366 76 I HN 0.233 nan 8.210 nan 0.000 0.466 77 L N 6.048 127.354 121.223 0.138 0.000 2.319 77 L HA 0.703 5.043 4.340 0.000 0.000 0.267 77 L C -0.683 176.269 176.870 0.137 0.000 1.011 77 L CA -1.157 53.750 54.840 0.112 0.000 0.818 77 L CB 2.217 44.324 42.059 0.079 0.000 1.316 77 L HN 0.229 nan 8.230 nan 0.000 0.432 78 V N 1.116 121.020 119.914 -0.017 0.000 2.555 78 V HA 0.499 4.620 4.120 0.000 0.000 0.302 78 V C -0.831 175.116 176.094 -0.246 0.000 1.038 78 V CA -0.396 61.892 62.300 -0.020 0.000 0.887 78 V CB 1.782 33.632 31.823 0.044 0.000 0.991 78 V HN 0.358 nan 8.190 nan 0.000 0.434 79 F N 2.543 122.212 119.950 -0.469 0.000 2.522 79 F HA 0.470 4.997 4.527 0.000 0.000 0.324 79 F C 0.392 175.899 175.800 -0.488 0.000 1.077 79 F CA -0.868 56.777 58.000 -0.592 0.000 0.944 79 F CB 1.615 39.937 39.000 -1.131 0.000 1.175 79 F HN 0.424 nan 8.300 nan 0.000 0.468 80 N N 1.829 120.473 118.700 -0.094 0.000 2.439 80 N HA 0.267 5.007 4.740 0.000 0.000 0.249 80 N C 0.553 175.997 175.510 -0.110 0.000 1.003 80 N CA 0.118 53.137 53.050 -0.052 0.000 0.942 80 N CB 1.734 40.264 38.487 0.072 0.000 1.115 80 N HN 0.792 nan 8.380 nan 0.000 0.505 81 A N 3.678 126.369 122.820 -0.214 0.000 1.940 81 A HA -0.203 4.117 4.320 0.000 0.000 0.219 81 A C 1.840 179.239 177.584 -0.308 0.000 1.176 81 A CA 1.645 53.507 52.037 -0.293 0.000 0.631 81 A CB -0.412 18.158 19.000 -0.716 0.000 0.814 81 A HN 0.768 nan 8.150 nan 0.000 0.446 82 E N -1.505 118.450 120.200 -0.408 0.000 2.204 82 E HA -0.134 4.217 4.350 0.000 0.000 0.194 82 E C 1.190 177.528 176.600 -0.437 0.000 0.989 82 E CA 1.525 57.712 56.400 -0.356 0.000 0.824 82 E CB -0.221 29.148 29.700 -0.553 0.000 0.756 82 E HN 0.757 nan 8.360 nan 0.000 0.477 83 Y N -2.719 117.610 120.300 0.048 0.000 2.638 83 Y HA 0.412 4.962 4.550 0.000 0.000 0.275 83 Y C 1.772 177.693 175.900 0.034 0.000 1.122 83 Y CA 0.243 58.366 58.100 0.037 0.000 1.266 83 Y CB 0.548 39.022 38.460 0.023 0.000 1.317 83 Y HN 0.081 nan 8.280 nan 0.000 0.501 84 G N 0.619 109.520 108.800 0.168 0.000 2.195 84 G HA2 -0.272 3.688 3.960 0.000 0.000 0.224 84 G HA3 -0.272 3.688 3.960 0.000 0.000 0.224 84 G C 0.082 175.076 174.900 0.155 0.000 0.990 84 G CA -0.001 45.205 45.100 0.175 0.000 0.639 84 G HN 0.441 nan 8.290 nan 0.000 0.514 85 N N 0.842 119.599 118.700 0.094 0.000 2.467 85 N HA 0.578 5.318 4.740 0.000 0.000 0.262 85 N C 0.210 175.601 175.510 -0.199 0.000 1.234 85 N CA 0.851 53.884 53.050 -0.028 0.000 0.952 85 N CB 1.564 40.047 38.487 -0.007 0.000 1.158 85 N HN 0.988 nan 8.380 nan 0.000 0.463 86 S N -0.528 114.973 115.700 -0.330 0.000 2.819 86 S HA 0.763 5.234 4.470 0.000 0.000 0.299 86 S C -1.066 173.352 174.600 -0.305 0.000 1.192 86 S CA -0.795 57.090 58.200 -0.525 0.000 0.847 86 S CB 1.410 63.876 63.200 -1.223 0.000 1.224 86 S HN 0.678 nan 8.310 nan 0.000 0.537 87 S N -0.297 115.239 115.700 -0.274 0.000 2.547 87 S HA 0.512 4.983 4.470 0.000 0.000 0.270 87 S C -1.185 173.358 174.600 -0.096 0.000 1.150 87 S CA -0.737 57.376 58.200 -0.145 0.000 0.850 87 S CB 1.519 64.664 63.200 -0.091 0.000 1.118 87 S HN 0.806 nan 8.310 nan 0.000 0.461 88 V N 2.886 122.762 119.914 -0.064 0.000 2.572 88 V HA 0.161 4.281 4.120 0.000 0.000 0.291 88 V C 0.464 176.573 176.094 0.026 0.000 1.039 88 V CA 0.380 62.669 62.300 -0.019 0.000 1.055 88 V CB 0.245 32.041 31.823 -0.044 0.000 0.969 88 V HN 0.939 nan 8.190 nan 0.000 0.482 89 F N 5.589 125.494 119.950 -0.074 0.000 2.714 89 F HA 0.505 5.033 4.527 0.000 0.000 0.294 89 F C 0.125 175.883 175.800 -0.070 0.000 1.120 89 F CA 0.182 58.146 58.000 -0.060 0.000 1.398 89 F CB 0.627 39.608 39.000 -0.032 0.000 1.120 89 F HN 0.381 nan 8.300 nan 0.000 0.589 90 L N 1.294 122.557 121.223 0.067 0.000 2.751 90 L HA 0.274 4.614 4.340 0.000 0.000 0.261 90 L C -1.254 175.570 176.870 -0.078 0.000 0.927 90 L CA -0.549 54.266 54.840 -0.041 0.000 0.968 90 L CB 1.149 43.238 42.059 0.050 0.000 1.432 90 L HN -0.183 nan 8.230 nan 0.000 0.439 91 E N 3.199 123.320 120.200 -0.133 0.000 2.376 91 E HA 0.078 4.429 4.350 0.000 0.000 0.266 91 E C 0.714 177.235 176.600 -0.131 0.000 1.009 91 E CA -0.013 56.313 56.400 -0.123 0.000 0.902 91 E CB 0.678 30.294 29.700 -0.139 0.000 0.972 91 E HN 0.623 nan 8.360 nan 0.000 0.439 92 N N 1.165 119.812 118.700 -0.087 0.000 2.635 92 N HA -0.156 4.584 4.740 0.000 0.000 0.191 92 N C 0.816 176.288 175.510 -0.063 0.000 1.155 92 N CA 0.931 53.941 53.050 -0.066 0.000 0.927 92 N CB -0.006 38.453 38.487 -0.047 0.000 0.976 92 N HN 0.252 nan 8.380 nan 0.000 0.448 93 S N -2.487 113.154 115.700 -0.099 0.000 2.523 93 S HA 0.025 4.495 4.470 0.000 0.000 0.217 93 S C 1.529 176.024 174.600 -0.175 0.000 0.996 93 S CA 0.188 58.330 58.200 -0.097 0.000 0.921 93 S CB -0.268 62.884 63.200 -0.079 0.000 0.829 93 S HN 0.249 nan 8.310 nan 0.000 0.495 94 T N 0.745 115.106 114.554 -0.323 0.000 2.918 94 T HA 0.009 4.360 4.350 0.000 0.000 0.271 94 T C 0.128 174.335 174.700 -0.822 0.000 1.104 94 T CA 1.073 62.803 62.100 -0.616 0.000 1.114 94 T CB -0.577 67.739 68.868 -0.921 0.000 0.855 94 T HN 0.563 nan 8.240 nan 0.000 0.518 95 F N 0.402 120.244 119.950 -0.180 0.000 2.850 95 F HA 0.389 4.916 4.527 0.000 0.000 0.329 95 F C 1.311 177.096 175.800 -0.024 0.000 1.182 95 F CA -0.888 57.029 58.000 -0.139 0.000 1.270 95 F CB 0.460 39.291 39.000 -0.281 0.000 0.979 95 F HN -0.000 nan 8.300 nan 0.000 0.506 96 D N 1.104 121.542 120.400 0.064 0.000 2.133 96 D HA -0.174 4.466 4.640 0.000 0.000 0.195 96 D C 1.059 177.407 176.300 0.079 0.000 0.997 96 D CA 1.610 55.642 54.000 0.054 0.000 0.840 96 D CB 0.113 40.916 40.800 0.004 0.000 0.947 96 D HN 0.364 nan 8.370 nan 0.000 0.452 97 E N -0.583 119.672 120.200 0.091 0.000 2.411 97 E HA 0.082 4.433 4.350 0.000 0.000 0.204 97 E C 0.735 177.404 176.600 0.115 0.000 1.059 97 E CA -0.356 56.086 56.400 0.070 0.000 1.112 97 E CB -0.356 29.366 29.700 0.037 0.000 1.168 97 E HN 0.140 nan 8.360 nan 0.000 0.445 98 F N 1.214 121.177 119.950 0.021 0.000 2.293 98 F HA 0.045 4.573 4.527 0.000 0.000 0.300 98 F C 1.695 177.445 175.800 -0.083 0.000 1.086 98 F CA 1.456 59.459 58.000 0.005 0.000 1.375 98 F CB 0.004 39.003 39.000 -0.002 0.000 1.045 98 F HN 0.249 nan 8.300 nan 0.000 0.516 99 G N 0.492 109.176 108.800 -0.193 0.000 2.176 99 G HA2 -0.259 3.702 3.960 0.000 0.000 0.252 99 G HA3 -0.259 3.702 3.960 0.000 0.000 0.252 99 G C -0.217 174.262 174.900 -0.701 0.000 1.024 99 G CA 0.482 45.335 45.100 -0.412 0.000 0.755 99 G HN 0.612 nan 8.290 nan 0.000 0.507 100 H N -1.047 117.900 119.070 -0.205 0.000 3.121 100 H HA 0.422 4.979 4.556 0.000 0.000 0.337 100 H C -0.113 175.271 175.328 0.093 0.000 1.198 100 H CA -0.154 55.812 56.048 -0.137 0.000 1.274 100 H CB 1.271 30.720 29.762 -0.520 0.000 1.954 100 H HN 0.551 nan 8.280 nan 0.000 0.531 101 S N 2.711 118.543 115.700 0.220 0.000 2.439 101 S HA 0.370 4.840 4.470 0.000 0.000 0.282 101 S C 0.677 175.371 174.600 0.157 0.000 1.170 101 S CA -0.920 57.370 58.200 0.151 0.000 1.054 101 S CB -0.316 62.946 63.200 0.103 0.000 0.956 101 S HN 0.518 nan 8.310 nan 0.000 0.490 102 I N 1.271 121.889 120.570 0.080 0.000 2.471 102 I HA 0.364 4.534 4.170 0.000 0.000 0.286 102 I C 1.021 177.149 176.117 0.020 0.000 1.079 102 I CA -0.477 60.837 61.300 0.024 0.000 1.398 102 I CB 0.562 38.463 38.000 -0.165 0.000 1.403 102 I HN 0.679 nan 8.210 nan 0.000 0.530 103 N N 3.886 122.597 118.700 0.018 0.000 2.171 103 N HA -0.082 4.659 4.740 0.000 0.000 0.184 103 N C -0.047 175.415 175.510 -0.079 0.000 1.021 103 N CA 1.328 54.340 53.050 -0.062 0.000 0.854 103 N CB 0.296 38.719 38.487 -0.106 0.000 0.994 103 N HN 0.903 nan 8.380 nan 0.000 0.426 104 D N -2.936 117.440 120.400 -0.041 0.000 2.671 104 D HA 0.184 4.824 4.640 0.000 0.000 0.273 104 D C -1.515 174.814 176.300 0.048 0.000 1.264 104 D CA -0.583 53.395 54.000 -0.036 0.000 0.788 104 D CB 0.615 41.347 40.800 -0.113 0.000 1.324 104 D HN 0.099 nan 8.370 nan 0.000 0.424 105 Y N -1.030 119.270 120.300 0.001 0.000 2.693 105 Y HA 0.817 5.367 4.550 0.000 0.000 0.331 105 Y C -0.735 175.232 175.900 0.112 0.000 1.092 105 Y CA -1.066 57.057 58.100 0.039 0.000 1.131 105 Y CB 1.629 40.101 38.460 0.019 0.000 1.318 105 Y HN 0.209 nan 8.280 nan 0.000 0.510 106 S N 1.141 117.061 115.700 0.367 0.000 2.428 106 S HA 0.419 4.890 4.470 0.000 0.000 0.269 106 S C -1.826 173.099 174.600 0.541 0.000 1.026 106 S CA -0.536 57.868 58.200 0.341 0.000 1.019 106 S CB -0.207 63.162 63.200 0.282 0.000 1.191 106 S HN 0.647 nan 8.310 nan 0.000 0.429 107 I N 4.431 125.237 120.570 0.394 0.000 2.575 107 I HA 0.295 4.465 4.170 0.000 0.000 0.285 107 I C 1.194 177.263 176.117 -0.080 0.000 1.085 107 I CA 0.379 61.827 61.300 0.248 0.000 1.403 107 I CB 1.404 39.486 38.000 0.138 0.000 1.409 107 I HN 0.757 nan 8.210 nan 0.000 0.557 108 S N 5.747 121.125 115.700 -0.536 0.000 2.573 108 S HA 0.179 4.649 4.470 0.000 0.000 0.277 108 S C -1.832 172.481 174.600 -0.479 0.000 1.346 108 S CA -0.811 56.574 58.200 -1.359 0.000 1.034 108 S CB 0.307 62.722 63.200 -1.310 0.000 0.879 108 S HN 0.465 nan 8.310 nan 0.000 0.528 109 P HA -0.144 nan 4.420 nan 0.000 0.216 109 P C 0.639 177.915 177.300 -0.041 0.000 1.150 109 P CA 1.659 64.698 63.100 -0.102 0.000 0.843 109 P CB -0.207 31.455 31.700 -0.063 0.000 0.787 110 D N -2.348 118.025 120.400 -0.046 0.000 2.349 110 D HA 0.110 4.751 4.640 0.000 0.000 0.224 110 D C 1.360 177.673 176.300 0.021 0.000 1.029 110 D CA 0.542 54.550 54.000 0.014 0.000 0.879 110 D CB -1.166 39.669 40.800 0.059 0.000 0.906 110 D HN 0.185 nan 8.370 nan 0.000 0.528 111 G N 0.240 109.058 108.800 0.031 0.000 2.166 111 G HA2 -0.452 3.508 3.960 0.000 0.000 0.260 111 G HA3 -0.452 3.508 3.960 0.000 0.000 0.260 111 G C 0.937 175.856 174.900 0.032 0.000 0.986 111 G CA 0.668 45.878 45.100 0.183 0.000 0.683 111 G HN 0.465 nan 8.290 nan 0.000 0.527 112 Q N -1.542 118.173 119.800 -0.141 0.000 2.137 112 Q HA 0.380 4.720 4.340 0.000 0.000 0.198 112 Q C 0.559 176.112 176.000 -0.746 0.000 0.960 112 Q CA 0.883 56.403 55.803 -0.472 0.000 0.847 112 Q CB 0.115 28.511 28.738 -0.569 0.000 0.915 112 Q HN 0.589 nan 8.270 nan 0.000 0.448 113 F N -1.160 118.704 119.950 -0.144 0.000 2.664 113 F HA 0.535 5.062 4.527 0.000 0.000 0.329 113 F C -0.581 175.319 175.800 0.166 0.000 1.090 113 F CA -1.239 56.769 58.000 0.013 0.000 0.978 113 F CB 1.401 40.432 39.000 0.051 0.000 1.378 113 F HN -0.205 nan 8.300 nan 0.000 0.495 114 I N 1.738 122.659 120.570 0.584 0.000 2.656 114 I HA 0.498 4.668 4.170 0.000 0.000 0.292 114 I C -2.015 174.443 176.117 0.569 0.000 1.144 114 I CA -0.992 60.640 61.300 0.553 0.000 1.038 114 I CB 1.842 40.118 38.000 0.460 0.000 1.244 114 I HN 0.532 nan 8.210 nan 0.000 0.420 115 L N 8.277 129.837 121.223 0.563 0.000 2.262 115 L HA 0.517 4.857 4.340 0.000 0.000 0.288 115 L C -1.274 175.742 176.870 0.242 0.000 1.035 115 L CA -0.132 54.923 54.840 0.358 0.000 0.820 115 L CB 0.897 43.083 42.059 0.213 0.000 1.204 115 L HN 0.485 nan 8.230 nan 0.000 0.424 116 L N 4.833 126.124 121.223 0.113 0.000 2.276 116 L HA 0.458 4.798 4.340 0.000 0.000 0.286 116 L C 0.186 177.076 176.870 0.033 0.000 1.061 116 L CA -0.267 54.541 54.840 -0.054 0.000 0.807 116 L CB 1.175 42.961 42.059 -0.455 0.000 1.177 116 L HN 0.616 nan 8.230 nan 0.000 0.429 117 E N 3.861 124.045 120.200 -0.026 0.000 2.175 117 E HA 0.471 4.821 4.350 0.000 0.000 0.278 117 E C -1.555 175.017 176.600 -0.046 0.000 0.969 117 E CA -0.508 55.738 56.400 -0.257 0.000 0.796 117 E CB 1.276 30.856 29.700 -0.200 0.000 1.104 117 E HN 0.456 nan 8.360 nan 0.000 0.395 118 Y N 1.386 121.501 120.300 -0.308 0.000 2.840 118 Y HA 0.422 4.972 4.550 0.000 0.000 0.324 118 Y C -0.168 175.643 175.900 -0.149 0.000 1.378 118 Y CA -1.471 56.541 58.100 -0.147 0.000 1.077 118 Y CB 0.425 38.850 38.460 -0.058 0.000 1.361 118 Y HN 0.542 nan 8.280 nan 0.000 0.459 119 N N -0.376 118.331 118.700 0.012 0.000 2.735 119 N HA -0.291 4.449 4.740 0.000 0.000 0.248 119 N C -0.972 174.507 175.510 -0.052 0.000 1.083 119 N CA 0.989 53.997 53.050 -0.070 0.000 0.703 119 N CB -1.393 36.926 38.487 -0.280 0.000 1.005 119 N HN 0.836 nan 8.380 nan 0.000 0.550 120 Y N 0.367 120.605 120.300 -0.102 0.000 2.620 120 Y HA 0.232 4.782 4.550 0.000 0.000 0.330 120 Y C 0.152 176.019 175.900 -0.055 0.000 1.186 120 Y CA 0.277 58.315 58.100 -0.102 0.000 1.467 120 Y CB 0.668 39.031 38.460 -0.161 0.000 1.262 120 Y HN -0.018 nan 8.280 nan 0.000 0.550 121 V N 7.871 127.366 119.914 -0.697 0.000 2.532 121 V HA 0.204 4.324 4.120 0.000 0.000 0.294 121 V C -0.425 175.263 176.094 -0.676 0.000 1.036 121 V CA -1.423 60.572 62.300 -0.507 0.000 0.876 121 V CB 1.445 33.129 31.823 -0.232 0.000 1.012 121 V HN 0.734 nan 8.190 nan 0.000 0.432 122 K N 3.702 123.745 120.400 -0.596 0.000 2.237 122 K HA 0.380 4.700 4.320 0.000 0.000 0.270 122 K C 0.230 176.688 176.600 -0.237 0.000 1.015 122 K CA 0.016 56.105 56.287 -0.330 0.000 0.949 122 K CB 1.485 33.977 32.500 -0.013 0.000 0.976 122 K HN 0.812 nan 8.250 nan 0.000 0.472 123 Q N 2.736 122.379 119.800 -0.260 0.000 3.062 123 Q HA 0.208 4.549 4.340 0.000 0.000 0.214 123 Q C -0.049 175.774 176.000 -0.295 0.000 1.160 123 Q CA -0.540 54.921 55.803 -0.570 0.000 0.318 123 Q CB 0.149 28.352 28.738 -0.892 0.000 5.730 123 Q HN 0.717 nan 8.270 nan 0.000 0.318 124 W N 0.505 121.815 121.300 0.017 0.000 1.663 124 W HA 0.241 4.902 4.660 0.000 0.000 0.571 124 W C 1.886 178.396 176.519 -0.014 0.000 2.004 124 W CA -0.317 57.056 57.345 0.046 0.000 2.260 124 W CB -0.150 29.288 29.460 -0.038 0.000 2.488 124 W HN 0.440 nan 8.180 nan 0.000 0.814 125 R N -0.858 119.743 120.500 0.168 0.000 2.115 125 R HA -0.105 4.236 4.340 0.000 0.000 0.226 125 R C 1.712 177.847 176.300 -0.275 0.000 1.100 125 R CA 1.699 57.728 56.100 -0.119 0.000 0.980 125 R CB -0.337 29.776 30.300 -0.311 0.000 0.875 125 R HN 0.454 nan 8.270 nan 0.000 0.445 126 H N -1.109 118.034 119.070 0.121 0.000 2.800 126 H HA 0.209 4.766 4.556 0.000 0.000 0.257 126 H C 0.583 176.000 175.328 0.148 0.000 0.967 126 H CA 0.572 56.712 56.048 0.153 0.000 1.192 126 H CB 0.150 29.972 29.762 0.100 0.000 1.441 126 H HN 0.203 nan 8.280 nan 0.000 0.461 127 S N 1.118 116.794 115.700 -0.039 0.000 2.600 127 S HA 0.357 4.828 4.470 0.000 0.000 0.265 127 S C -0.241 174.253 174.600 -0.177 0.000 1.325 127 S CA -0.296 57.559 58.200 -0.575 0.000 1.002 127 S CB 0.771 63.019 63.200 -1.587 0.000 0.921 127 S HN 0.482 nan 8.310 nan 0.000 0.554 128 Y N -3.121 117.016 120.300 -0.271 0.000 2.927 128 Y HA 0.508 5.058 4.550 0.000 0.000 0.392 128 Y C -0.883 174.997 175.900 -0.034 0.000 1.159 128 Y CA -0.821 57.145 58.100 -0.224 0.000 1.220 128 Y CB 0.095 38.393 38.460 -0.271 0.000 1.506 128 Y HN 0.992 nan 8.280 nan 0.000 0.481 129 T N 0.023 114.641 114.554 0.106 0.000 2.940 129 T HA 1.053 5.404 4.350 0.000 0.000 0.288 129 T C -0.391 174.407 174.700 0.163 0.000 1.045 129 T CA -0.250 61.926 62.100 0.127 0.000 1.018 129 T CB 1.833 70.723 68.868 0.037 0.000 1.151 129 T HN 2.123 nan 8.240 nan 0.000 0.529 130 A N 0.497 123.392 122.820 0.125 0.000 2.515 130 A HA 0.717 5.038 4.320 0.000 0.000 0.292 130 A C -0.856 176.578 177.584 -0.249 0.000 1.065 130 A CA -1.005 50.966 52.037 -0.110 0.000 0.641 130 A CB 0.779 19.675 19.000 -0.174 0.000 1.306 130 A HN 0.906 nan 8.150 nan 0.000 0.441 131 S N -0.379 114.911 115.700 -0.684 0.000 2.501 131 S HA 0.794 5.264 4.470 0.000 0.000 0.301 131 S C -1.449 172.548 174.600 -1.005 0.000 1.096 131 S CA -0.139 57.613 58.200 -0.747 0.000 1.063 131 S CB 0.715 63.270 63.200 -1.076 0.000 1.042 131 S HN 0.453 nan 8.310 nan 0.000 0.494 132 Y N 0.472 120.550 120.300 -0.371 0.000 2.536 132 Y HA 0.586 5.136 4.550 0.000 0.000 0.347 132 Y C -0.463 175.470 175.900 0.055 0.000 1.000 132 Y CA -1.110 56.909 58.100 -0.136 0.000 1.051 132 Y CB 1.712 40.047 38.460 -0.209 0.000 1.259 132 Y HN 0.528 nan 8.280 nan 0.000 0.468 133 D N 1.422 122.009 120.400 0.311 0.000 2.964 133 D HA 0.502 5.142 4.640 0.000 0.000 0.234 133 D C -1.154 175.279 176.300 0.223 0.000 1.223 133 D CA -0.312 53.856 54.000 0.281 0.000 0.889 133 D CB 1.826 42.883 40.800 0.429 0.000 1.609 133 D HN 0.308 nan 8.370 nan 0.000 0.523 134 I N 2.069 122.769 120.570 0.216 0.000 2.385 134 I HA 0.322 4.492 4.170 0.000 0.000 0.294 134 I C -0.926 175.420 176.117 0.380 0.000 0.988 134 I CA -0.958 60.516 61.300 0.290 0.000 1.265 134 I CB 0.993 39.126 38.000 0.223 0.000 1.388 134 I HN 0.356 nan 8.210 nan 0.000 0.480 135 Y N 5.713 126.201 120.300 0.313 0.000 2.338 135 Y HA 0.272 4.822 4.550 0.000 0.000 0.328 135 Y C -0.190 175.895 175.900 0.308 0.000 0.965 135 Y CA -0.934 57.351 58.100 0.309 0.000 1.208 135 Y CB 0.877 39.560 38.460 0.373 0.000 1.132 135 Y HN 0.522 nan 8.280 nan 0.000 0.469 136 D N 5.907 126.233 120.400 -0.124 0.000 2.401 136 D HA 0.011 4.651 4.640 0.000 0.000 0.254 136 D C 0.687 176.644 176.300 -0.571 0.000 1.192 136 D CA 0.550 54.389 54.000 -0.268 0.000 0.885 136 D CB 1.059 41.758 40.800 -0.169 0.000 1.147 136 D HN 0.893 nan 8.370 nan 0.000 0.478 137 L N 3.692 124.644 121.223 -0.451 0.000 2.395 137 L HA -0.050 4.291 4.340 0.000 0.000 0.218 137 L C 1.879 178.546 176.870 -0.338 0.000 1.130 137 L CA 0.150 54.809 54.840 -0.301 0.000 0.826 137 L CB -0.201 41.720 42.059 -0.231 0.000 0.941 137 L HN 0.347 nan 8.230 nan 0.000 0.451 138 N N 0.733 119.192 118.700 -0.402 0.000 2.245 138 N HA -0.069 4.671 4.740 0.000 0.000 0.185 138 N C 1.445 176.809 175.510 -0.242 0.000 1.036 138 N CA 1.000 53.870 53.050 -0.300 0.000 0.857 138 N CB -0.082 38.223 38.487 -0.302 0.000 1.015 138 N HN 0.276 nan 8.380 nan 0.000 0.436 139 K N 1.005 121.253 120.400 -0.253 0.000 2.525 139 K HA 0.168 4.488 4.320 0.000 0.000 0.192 139 K C -0.054 176.409 176.600 -0.227 0.000 1.029 139 K CA -0.086 56.085 56.287 -0.193 0.000 1.029 139 K CB 0.240 32.650 32.500 -0.150 0.000 0.814 139 K HN 0.102 nan 8.250 nan 0.000 0.503 140 R N 1.669 121.969 120.500 -0.334 0.000 3.301 140 R HA -0.212 4.128 4.340 0.000 0.000 0.249 140 R C -0.805 175.291 176.300 -0.340 0.000 0.964 140 R CA 0.950 56.846 56.100 -0.341 0.000 0.653 140 R CB -1.788 28.455 30.300 -0.096 0.000 1.043 140 R HN 0.560 nan 8.270 nan 0.000 0.454 141 Q N -0.432 119.037 119.800 -0.551 0.000 2.315 141 Q HA 0.485 4.826 4.340 0.000 0.000 0.273 141 Q C -0.697 175.177 176.000 -0.211 0.000 1.053 141 Q CA -1.316 54.363 55.803 -0.207 0.000 0.817 141 Q CB 1.440 30.133 28.738 -0.074 0.000 1.326 141 Q HN 0.183 nan 8.270 nan 0.000 0.423 142 L N 0.442 121.780 121.223 0.191 0.000 2.360 142 L HA 0.469 4.809 4.340 0.000 0.000 0.276 142 L C -0.362 176.624 176.870 0.193 0.000 1.121 142 L CA -0.280 54.757 54.840 0.329 0.000 0.845 142 L CB 0.148 42.531 42.059 0.540 0.000 1.143 142 L HN 0.675 nan 8.230 nan 0.000 0.452 143 I N 4.013 124.688 120.570 0.175 0.000 2.741 143 I HA -0.041 4.129 4.170 0.000 0.000 0.288 143 I C 1.033 177.218 176.117 0.114 0.000 1.192 143 I CA 0.696 62.072 61.300 0.126 0.000 1.426 143 I CB 0.586 38.658 38.000 0.121 0.000 1.367 143 I HN 0.978 nan 8.210 nan 0.000 0.563 144 T N 1.059 115.661 114.554 0.080 0.000 3.085 144 T HA 0.277 4.627 4.350 0.000 0.000 0.264 144 T C 0.309 175.027 174.700 0.029 0.000 1.019 144 T CA -0.437 61.700 62.100 0.062 0.000 0.910 144 T CB -0.027 68.876 68.868 0.058 0.000 1.059 144 T HN 0.562 nan 8.240 nan 0.000 0.542 145 E N 1.911 122.125 120.200 0.023 0.000 2.195 145 E HA 0.392 4.742 4.350 0.000 0.000 0.271 145 E C -0.601 175.988 176.600 -0.018 0.000 0.923 145 E CA -0.968 55.432 56.400 0.001 0.000 0.790 145 E CB 0.888 30.593 29.700 0.007 0.000 1.155 145 E HN 0.080 nan 8.360 nan 0.000 0.402 146 E N 1.808 121.983 120.200 -0.042 0.000 2.222 146 E HA -0.235 4.116 4.350 0.000 0.000 0.189 146 E C -0.762 175.781 176.600 -0.095 0.000 1.415 146 E CA 0.766 57.123 56.400 -0.071 0.000 0.689 146 E CB -1.125 28.542 29.700 -0.056 0.000 1.107 146 E HN 0.492 nan 8.360 nan 0.000 0.350 147 R N 0.074 120.507 120.500 -0.112 0.000 2.531 147 R HA 0.430 4.770 4.340 0.000 0.000 0.273 147 R C 1.186 177.318 176.300 -0.279 0.000 1.070 147 R CA -0.729 55.287 56.100 -0.140 0.000 1.112 147 R CB 0.721 30.973 30.300 -0.081 0.000 1.049 147 R HN 0.157 nan 8.270 nan 0.000 0.508 148 I N 3.693 124.045 120.570 -0.362 0.000 2.710 148 I HA 0.005 4.175 4.170 0.000 0.000 0.286 148 I C -1.736 174.053 176.117 -0.548 0.000 1.181 148 I CA -1.510 59.386 61.300 -0.674 0.000 1.430 148 I CB 0.225 37.798 38.000 -0.712 0.000 1.367 148 I HN 0.266 nan 8.210 nan 0.000 0.577 149 P HA 0.059 nan 4.420 nan 0.000 0.271 149 P C -0.681 176.425 177.300 -0.323 0.000 1.233 149 P CA -0.306 62.394 63.100 -0.667 0.000 0.789 149 P CB 0.390 31.202 31.700 -1.480 0.000 0.951 150 N N 1.376 119.991 118.700 -0.141 0.000 2.467 150 N HA 0.064 4.804 4.740 0.000 0.000 0.262 150 N C 0.105 175.713 175.510 0.163 0.000 1.234 150 N CA 0.106 53.141 53.050 -0.025 0.000 0.952 150 N CB -0.481 37.996 38.487 -0.016 0.000 1.158 150 N HN 0.364 nan 8.380 nan 0.000 0.463 151 N N -1.182 117.581 118.700 0.106 0.000 2.754 151 N HA -0.157 4.584 4.740 0.000 0.000 0.248 151 N C -1.053 174.611 175.510 0.257 0.000 1.093 151 N CA 0.751 53.889 53.050 0.145 0.000 0.699 151 N CB -1.584 36.981 38.487 0.130 0.000 1.016 151 N HN 0.428 nan 8.380 nan 0.000 0.552 152 T N 0.212 114.919 114.554 0.254 0.000 2.884 152 T HA 0.113 4.463 4.350 0.000 0.000 0.298 152 T C 1.499 176.326 174.700 0.211 0.000 0.998 152 T CA -0.087 62.172 62.100 0.266 0.000 1.124 152 T CB 1.106 70.001 68.868 0.045 0.000 0.931 152 T HN 0.193 nan 8.240 nan 0.000 0.531 153 Q N 1.645 121.561 119.800 0.193 0.000 2.354 153 Q HA 0.166 4.506 4.340 0.000 0.000 0.203 153 Q C 0.093 176.230 176.000 0.228 0.000 0.933 153 Q CA 0.330 56.259 55.803 0.211 0.000 0.901 153 Q CB 0.765 29.590 28.738 0.144 0.000 1.007 153 Q HN 0.691 nan 8.270 nan 0.000 0.495 154 W N -0.753 120.478 121.300 -0.114 0.000 3.319 154 W HA 0.450 5.110 4.660 0.000 0.000 0.300 154 W C -2.413 173.983 176.519 -0.205 0.000 1.244 154 W CA -0.655 56.575 57.345 -0.191 0.000 1.193 154 W CB 0.857 30.157 29.460 -0.267 0.000 1.359 154 W HN -0.299 nan 8.180 nan 0.000 0.568 155 V N 3.528 122.704 119.914 -1.231 0.000 3.120 155 V HA 0.819 4.939 4.120 0.000 0.000 0.303 155 V C -1.455 174.017 176.094 -1.037 0.000 1.238 155 V CA -0.041 61.719 62.300 -0.900 0.000 1.008 155 V CB 2.355 33.577 31.823 -1.001 0.000 1.064 155 V HN 0.656 nan 8.190 nan 0.000 0.434 156 T N 4.556 118.830 114.554 -0.466 0.000 3.159 156 T HA 0.459 4.809 4.350 0.000 0.000 0.343 156 T C -1.284 173.440 174.700 0.039 0.000 1.364 156 T CA -0.299 61.701 62.100 -0.167 0.000 1.102 156 T CB 0.734 69.747 68.868 0.242 0.000 1.263 156 T HN 0.695 nan 8.240 nan 0.000 0.477 157 W N 2.910 124.245 121.300 0.058 0.000 2.049 157 W HA 0.470 5.130 4.660 0.000 0.000 0.356 157 W C 1.278 177.624 176.519 -0.288 0.000 1.323 157 W CA -0.593 56.726 57.345 -0.044 0.000 1.336 157 W CB 0.630 30.074 29.460 -0.025 0.000 1.176 157 W HN 0.818 nan 8.180 nan 0.000 0.623 158 S N 0.624 116.105 115.700 -0.365 0.000 2.614 158 S HA 0.206 4.676 4.470 0.000 0.000 0.265 158 S C -1.946 172.384 174.600 -0.451 0.000 1.303 158 S CA -1.064 56.398 58.200 -1.230 0.000 1.000 158 S CB 0.953 63.415 63.200 -1.229 0.000 0.935 158 S HN 0.236 nan 8.310 nan 0.000 0.551 159 P HA 0.051 nan 4.420 nan 0.000 0.217 159 P C -0.180 177.078 177.300 -0.069 0.000 1.150 159 P CA 0.681 63.735 63.100 -0.075 0.000 0.832 159 P CB 0.054 31.747 31.700 -0.012 0.000 0.787 160 V N -2.054 117.778 119.914 -0.137 0.000 2.864 160 V HA 0.672 4.792 4.120 0.000 0.000 0.314 160 V C 0.943 176.955 176.094 -0.137 0.000 1.073 160 V CA 0.020 62.264 62.300 -0.092 0.000 0.956 160 V CB 0.775 32.558 31.823 -0.066 0.000 1.023 160 V HN 0.451 nan 8.190 nan 0.000 0.435 161 G N 2.503 111.258 108.800 -0.075 0.000 2.523 161 G HA2 -0.202 3.758 3.960 0.000 0.000 0.271 161 G HA3 -0.202 3.758 3.960 0.000 0.000 0.271 161 G C 0.089 174.970 174.900 -0.032 0.000 1.146 161 G CA 0.582 45.647 45.100 -0.059 0.000 0.961 161 G HN 1.947 nan 8.290 nan 0.000 0.549 162 H N -0.405 118.606 119.070 -0.098 0.000 3.510 162 H HA 0.431 4.988 4.556 0.000 0.000 0.209 162 H C 0.064 175.501 175.328 0.181 0.000 1.326 162 H CA -0.063 55.926 56.048 -0.098 0.000 1.236 162 H CB -0.671 28.999 29.762 -0.153 0.000 2.594 162 H HN 0.590 nan 8.280 nan 0.000 0.527 163 K N 1.248 121.638 120.400 -0.017 0.000 2.102 163 K HA 0.645 4.965 4.320 0.000 0.000 0.244 163 K C -0.305 176.421 176.600 0.210 0.000 1.021 163 K CA -0.693 55.599 56.287 0.008 0.000 0.913 163 K CB 1.603 33.965 32.500 -0.229 0.000 1.062 163 K HN 0.123 nan 8.250 nan 0.000 0.485 164 L N 0.501 121.851 121.223 0.211 0.000 2.422 164 L HA 0.592 4.932 4.340 0.000 0.000 0.264 164 L C -1.245 175.817 176.870 0.320 0.000 0.984 164 L CA -0.889 54.041 54.840 0.149 0.000 0.819 164 L CB 2.224 44.236 42.059 -0.078 0.000 1.330 164 L HN 0.709 nan 8.230 nan 0.000 0.410 165 A N 2.542 125.538 122.820 0.293 0.000 2.381 165 A HA 0.803 5.123 4.320 0.000 0.000 0.299 165 A C -1.667 175.943 177.584 0.045 0.000 1.049 165 A CA -0.383 51.727 52.037 0.120 0.000 0.715 165 A CB 1.192 20.209 19.000 0.029 0.000 1.222 165 A HN 0.640 nan 8.150 nan 0.000 0.428 166 Y N -0.323 119.933 120.300 -0.074 0.000 2.588 166 Y HA 0.793 5.343 4.550 0.000 0.000 0.343 166 Y C -1.172 174.729 175.900 0.000 0.000 1.065 166 Y CA -1.645 56.377 58.100 -0.129 0.000 1.038 166 Y CB 1.180 39.480 38.460 -0.267 0.000 1.297 166 Y HN 0.379 nan 8.280 nan 0.000 0.467 167 V N 2.324 122.358 119.914 0.200 0.000 2.459 167 V HA 0.347 4.467 4.120 0.000 0.000 0.295 167 V C -1.358 174.930 176.094 0.323 0.000 1.029 167 V CA -0.544 61.853 62.300 0.162 0.000 0.874 167 V CB 1.267 33.101 31.823 0.019 0.000 0.985 167 V HN 0.867 nan 8.190 nan 0.000 0.438 168 W N 4.381 125.753 121.300 0.121 0.000 2.998 168 W HA 0.443 5.103 4.660 0.000 0.000 0.335 168 W C 0.460 177.013 176.519 0.056 0.000 1.110 168 W CA -0.988 56.398 57.345 0.068 0.000 1.230 168 W CB 1.205 30.655 29.460 -0.018 0.000 1.405 168 W HN 0.780 nan 8.180 nan 0.000 0.493 169 N N 5.114 123.427 118.700 -0.644 0.000 2.702 169 N HA -0.357 4.383 4.740 0.000 0.000 0.255 169 N C -0.151 175.194 175.510 -0.273 0.000 0.983 169 N CA 0.997 53.694 53.050 -0.589 0.000 0.768 169 N CB -0.863 37.081 38.487 -0.905 0.000 0.918 169 N HN 0.677 nan 8.380 nan 0.000 0.540 170 N N -1.190 117.409 118.700 -0.167 0.000 2.741 170 N HA -0.161 4.579 4.740 0.000 0.000 0.251 170 N C -1.370 174.075 175.510 -0.109 0.000 1.112 170 N CA 1.578 54.553 53.050 -0.125 0.000 0.750 170 N CB -0.441 37.931 38.487 -0.193 0.000 1.119 170 N HN 0.565 nan 8.380 nan 0.000 0.561 171 D N -0.417 119.941 120.400 -0.070 0.000 2.490 171 D HA 0.504 5.144 4.640 0.000 0.000 0.232 171 D C 0.300 176.491 176.300 -0.181 0.000 1.053 171 D CA -0.485 53.412 54.000 -0.171 0.000 0.914 171 D CB 1.541 42.209 40.800 -0.220 0.000 1.431 171 D HN -0.051 nan 8.370 nan 0.000 0.483 172 I N 1.350 121.631 120.570 -0.481 0.000 2.437 172 I HA 0.322 4.492 4.170 0.000 0.000 0.298 172 I C -0.812 174.847 176.117 -0.763 0.000 0.984 172 I CA -0.567 60.426 61.300 -0.512 0.000 1.214 172 I CB 0.779 38.380 38.000 -0.664 0.000 1.365 172 I HN 0.181 nan 8.210 nan 0.000 0.469 173 Y N 3.642 123.552 120.300 -0.651 0.000 2.553 173 Y HA 0.668 5.218 4.550 0.000 0.000 0.347 173 Y C -0.392 175.169 175.900 -0.564 0.000 1.019 173 Y CA -0.962 56.717 58.100 -0.701 0.000 1.032 173 Y CB 2.132 39.895 38.460 -1.162 0.000 1.284 173 Y HN 0.119 nan 8.280 nan 0.000 0.466 174 V N 2.100 121.953 119.914 -0.101 0.000 2.709 174 V HA 0.505 4.625 4.120 0.000 0.000 0.308 174 V C -0.987 175.250 176.094 0.238 0.000 1.062 174 V CA -1.432 60.908 62.300 0.066 0.000 0.901 174 V CB 2.175 34.040 31.823 0.070 0.000 1.003 174 V HN 0.616 nan 8.190 nan 0.000 0.425 175 K N 3.311 123.854 120.400 0.238 0.000 2.502 175 K HA 0.494 4.815 4.320 0.000 0.000 0.254 175 K C 0.064 176.787 176.600 0.205 0.000 0.947 175 K CA -0.647 55.778 56.287 0.230 0.000 0.834 175 K CB 1.936 34.534 32.500 0.163 0.000 1.112 175 K HN 0.460 nan 8.250 nan 0.000 0.427 176 I N 1.422 122.125 120.570 0.223 0.000 2.546 176 I HA -0.097 4.073 4.170 0.000 0.000 0.255 176 I C 0.200 176.366 176.117 0.082 0.000 1.163 176 I CA 1.264 62.638 61.300 0.122 0.000 1.457 176 I CB 0.102 38.179 38.000 0.127 0.000 1.092 176 I HN 0.482 nan 8.210 nan 0.000 0.434 177 E N 0.147 120.418 120.200 0.117 0.000 2.278 177 E HA 0.237 4.588 4.350 0.000 0.000 0.272 177 E C -1.931 174.688 176.600 0.032 0.000 0.890 177 E CA -1.659 54.806 56.400 0.108 0.000 0.770 177 E CB 1.887 31.660 29.700 0.120 0.000 1.212 177 E HN -0.159 nan 8.360 nan 0.000 0.415 178 P HA -0.222 nan 4.420 nan 0.000 0.217 178 P C 0.683 177.954 177.300 -0.049 0.000 1.148 178 P CA 1.517 64.543 63.100 -0.122 0.000 0.834 178 P CB 0.280 31.759 31.700 -0.368 0.000 0.783 179 N N -0.780 117.910 118.700 -0.017 0.000 2.270 179 N HA 0.045 4.785 4.740 0.000 0.000 0.198 179 N C 0.234 175.750 175.510 0.010 0.000 1.117 179 N CA -0.030 53.028 53.050 0.012 0.000 0.845 179 N CB -0.174 38.339 38.487 0.042 0.000 0.980 179 N HN 0.193 nan 8.380 nan 0.000 0.486 180 L N 0.673 121.904 121.223 0.012 0.000 2.334 180 L HA 0.543 4.883 4.340 0.000 0.000 0.272 180 L C -2.213 174.636 176.870 -0.035 0.000 1.020 180 L CA -2.203 52.638 54.840 0.002 0.000 0.812 180 L CB 1.356 43.437 42.059 0.037 0.000 1.264 180 L HN -0.214 nan 8.230 nan 0.000 0.439 181 P HA -0.027 nan 4.420 nan 0.000 0.270 181 P C -0.830 176.353 177.300 -0.196 0.000 1.221 181 P CA -0.085 62.932 63.100 -0.138 0.000 0.788 181 P CB 0.505 32.101 31.700 -0.174 0.000 0.904 182 S N 0.417 116.030 115.700 -0.146 0.000 2.593 182 S HA 0.529 4.999 4.470 0.000 0.000 0.297 182 S C -1.094 173.406 174.600 -0.167 0.000 1.112 182 S CA -0.575 57.586 58.200 -0.064 0.000 1.043 182 S CB 0.380 63.653 63.200 0.121 0.000 1.054 182 S HN 0.206 nan 8.310 nan 0.000 0.516 183 Y N 0.722 121.036 120.300 0.023 0.000 2.320 183 Y HA 0.475 5.025 4.550 0.000 0.000 0.334 183 Y C 0.868 176.664 175.900 -0.172 0.000 1.055 183 Y CA -0.843 57.241 58.100 -0.026 0.000 1.143 183 Y CB 0.926 39.370 38.460 -0.026 0.000 1.193 183 Y HN 0.703 nan 8.280 nan 0.000 0.477 184 R N 3.989 124.395 120.500 -0.157 0.000 2.220 184 R HA 0.240 4.580 4.340 0.000 0.000 0.340 184 R C 0.211 176.176 176.300 -0.558 0.000 1.076 184 R CA -0.126 55.532 56.100 -0.737 0.000 0.920 184 R CB 0.059 29.727 30.300 -1.054 0.000 1.062 184 R HN 0.777 nan 8.270 nan 0.000 0.469 185 I N 2.348 122.561 120.570 -0.595 0.000 2.617 185 I HA -0.072 4.098 4.170 0.000 0.000 0.256 185 I C 0.992 176.862 176.117 -0.411 0.000 1.167 185 I CA 1.026 62.090 61.300 -0.393 0.000 1.469 185 I CB -0.912 36.829 38.000 -0.431 0.000 1.098 185 I HN 0.601 nan 8.210 nan 0.000 0.436 186 T N -4.248 109.906 114.554 -0.668 0.000 2.906 186 T HA 0.433 4.784 4.350 0.000 0.000 0.295 186 T C -0.576 173.716 174.700 -0.681 0.000 1.075 186 T CA -0.573 61.236 62.100 -0.485 0.000 1.005 186 T CB 1.936 70.534 68.868 -0.450 0.000 1.136 186 T HN 0.158 nan 8.240 nan 0.000 0.498 187 W N -0.217 120.971 121.300 -0.187 0.000 2.324 187 W HA 0.228 4.888 4.660 0.000 0.000 0.316 187 W C 1.860 178.326 176.519 -0.088 0.000 0.927 187 W CA -0.043 57.230 57.345 -0.121 0.000 1.438 187 W CB 0.150 29.555 29.460 -0.091 0.000 1.085 187 W HN 0.896 nan 8.180 nan 0.000 0.532 188 T N -2.323 112.273 114.554 0.070 0.000 3.107 188 T HA 0.284 4.635 4.350 0.000 0.000 0.249 188 T C 1.201 175.900 174.700 -0.002 0.000 1.096 188 T CA 0.222 62.349 62.100 0.044 0.000 1.012 188 T CB -0.213 68.680 68.868 0.042 0.000 0.977 188 T HN 0.018 nan 8.240 nan 0.000 0.527 189 G N 1.381 110.151 108.800 -0.050 0.000 2.265 189 G HA2 0.326 4.286 3.960 0.000 0.000 0.240 189 G HA3 0.326 4.286 3.960 0.000 0.000 0.240 189 G C -0.494 174.350 174.900 -0.094 0.000 1.270 189 G CA -0.444 44.603 45.100 -0.089 0.000 0.901 189 G HN 0.563 nan 8.290 nan 0.000 0.507 190 K N 2.597 122.919 120.400 -0.129 0.000 2.729 190 K HA 0.119 4.439 4.320 0.000 0.000 0.269 190 K C -0.060 176.428 176.600 -0.188 0.000 1.065 190 K CA -0.593 55.619 56.287 -0.125 0.000 1.000 190 K CB 0.907 33.370 32.500 -0.062 0.000 1.283 190 K HN 0.659 nan 8.250 nan 0.000 0.491 191 E N 3.477 123.558 120.200 -0.199 0.000 3.311 191 E HA -0.219 4.132 4.350 0.000 0.000 0.264 191 E C -0.591 175.912 176.600 -0.162 0.000 0.875 191 E CA 1.399 57.677 56.400 -0.204 0.000 0.969 191 E CB 0.161 29.780 29.700 -0.135 0.000 0.910 191 E HN 0.674 nan 8.360 nan 0.000 0.548 192 D N 2.665 122.941 120.400 -0.207 0.000 3.012 192 D HA -0.232 4.408 4.640 0.000 0.000 0.222 192 D C 0.380 176.708 176.300 0.047 0.000 1.167 192 D CA 1.177 55.181 54.000 0.006 0.000 0.854 192 D CB -0.524 40.323 40.800 0.080 0.000 1.107 192 D HN 0.396 nan 8.370 nan 0.000 0.421 193 I N -1.221 119.298 120.570 -0.084 0.000 3.680 193 I HA 0.105 4.275 4.170 0.000 0.000 0.261 193 I C 0.575 176.758 176.117 0.109 0.000 1.121 193 I CA 0.407 61.740 61.300 0.055 0.000 1.429 193 I CB 0.191 38.203 38.000 0.019 0.000 1.719 193 I HN -0.138 nan 8.210 nan 0.000 0.413 194 I N 2.078 122.634 120.570 -0.023 0.000 2.382 194 I HA 0.284 4.455 4.170 0.000 0.000 0.286 194 I C -1.233 174.887 176.117 0.006 0.000 1.002 194 I CA -0.529 60.824 61.300 0.089 0.000 1.135 194 I CB 0.901 38.938 38.000 0.061 0.000 1.288 194 I HN 0.036 nan 8.210 nan 0.000 0.448 195 Y N 4.842 125.237 120.300 0.159 0.000 2.331 195 Y HA 0.430 4.980 4.550 0.000 0.000 0.338 195 Y C 0.437 176.405 175.900 0.113 0.000 0.992 195 Y CA -0.825 57.368 58.100 0.155 0.000 1.121 195 Y CB 1.110 39.736 38.460 0.277 0.000 1.184 195 Y HN 0.409 nan 8.280 nan 0.000 0.469 196 N N 1.858 120.637 118.700 0.131 0.000 2.407 196 N HA 0.371 5.111 4.740 0.000 0.000 0.277 196 N C 0.746 176.204 175.510 -0.088 0.000 0.995 196 N CA 0.278 53.335 53.050 0.011 0.000 0.903 196 N CB 1.987 40.385 38.487 -0.149 0.000 1.218 196 N HN 0.942 nan 8.380 nan 0.000 0.487 197 G N 1.438 110.195 108.800 -0.071 0.000 2.205 197 G HA2 -0.261 3.700 3.960 0.000 0.000 0.261 197 G HA3 -0.261 3.700 3.960 0.000 0.000 0.261 197 G C 0.104 174.836 174.900 -0.280 0.000 0.980 197 G CA 0.812 45.787 45.100 -0.208 0.000 0.632 197 G HN 0.670 nan 8.290 nan 0.000 0.533 198 I N -1.688 118.797 120.570 -0.143 0.000 2.865 198 I HA 0.799 4.969 4.170 0.000 0.000 0.302 198 I C 0.279 176.429 176.117 0.054 0.000 1.140 198 I CA -0.665 60.465 61.300 -0.283 0.000 1.021 198 I CB 2.028 39.685 38.000 -0.573 0.000 1.233 198 I HN 0.164 nan 8.210 nan 0.000 0.427 199 T N -0.380 114.136 114.554 -0.063 0.000 2.899 199 T HA 0.365 4.715 4.350 0.000 0.000 0.284 199 T C -0.150 174.344 174.700 -0.344 0.000 1.004 199 T CA -0.656 61.269 62.100 -0.293 0.000 1.043 199 T CB 1.332 70.125 68.868 -0.124 0.000 1.013 199 T HN 0.769 nan 8.240 nan 0.000 0.518 200 D N 0.355 120.281 120.400 -0.790 0.000 2.478 200 D HA 0.024 4.664 4.640 0.000 0.000 0.274 200 D C 0.946 177.183 176.300 -0.105 0.000 1.234 200 D CA -1.044 52.499 54.000 -0.761 0.000 1.069 200 D CB 0.116 40.447 40.800 -0.782 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N -0.144 121.122 121.300 -0.056 0.000 2.355 201 W HA -0.172 4.488 4.660 0.000 0.000 0.309 201 W C 2.178 178.611 176.519 -0.143 0.000 1.206 201 W CA 1.919 59.239 57.345 -0.041 0.000 1.284 201 W CB -0.389 29.000 29.460 -0.119 0.000 1.145 201 W HN 0.169 nan 8.180 nan 0.000 0.502 202 V N -0.100 119.941 119.914 0.211 0.000 2.453 202 V HA -0.281 3.839 4.120 0.000 0.000 0.247 202 V C 1.860 177.792 176.094 -0.270 0.000 1.048 202 V CA 1.908 64.200 62.300 -0.014 0.000 1.049 202 V CB -0.728 31.074 31.823 -0.035 0.000 0.672 202 V HN 0.281 nan 8.190 nan 0.000 0.457 203 Y N 0.630 120.753 120.300 -0.296 0.000 2.200 203 Y HA -0.184 4.366 4.550 0.000 0.000 0.290 203 Y C 2.626 178.405 175.900 -0.201 0.000 1.137 203 Y CA 2.211 60.122 58.100 -0.315 0.000 1.163 203 Y CB -0.113 38.029 38.460 -0.529 0.000 0.988 203 Y HN 0.351 nan 8.280 nan 0.000 0.518 204 E N 0.305 120.471 120.200 -0.056 0.000 2.051 204 E HA -0.307 4.043 4.350 0.000 0.000 0.192 204 E C 1.974 178.538 176.600 -0.060 0.000 0.991 204 E CA 1.688 58.085 56.400 -0.005 0.000 0.799 204 E CB 0.001 29.701 29.700 0.001 0.000 0.748 204 E HN 0.481 nan 8.360 nan 0.000 0.449 205 E N -0.021 119.981 120.200 -0.331 0.000 2.122 205 E HA -0.119 4.231 4.350 0.000 0.000 0.190 205 E C 1.646 178.126 176.600 -0.201 0.000 0.977 205 E CA 1.215 57.411 56.400 -0.340 0.000 0.820 205 E CB 0.217 29.408 29.700 -0.849 0.000 0.770 205 E HN 0.178 nan 8.360 nan 0.000 0.462 206 E N -0.656 119.393 120.200 -0.253 0.000 2.413 206 E HA 0.095 4.445 4.350 0.000 0.000 0.203 206 E C 1.750 178.191 176.600 -0.266 0.000 0.957 206 E CA 0.457 56.742 56.400 -0.191 0.000 0.950 206 E CB 0.943 30.520 29.700 -0.205 0.000 0.957 206 E HN 0.204 nan 8.360 nan 0.000 0.497 207 V N -0.310 119.378 119.914 -0.377 0.000 2.735 207 V HA 0.040 4.160 4.120 0.000 0.000 0.234 207 V C 1.508 177.350 176.094 -0.419 0.000 1.121 207 V CA 0.797 62.783 62.300 -0.523 0.000 1.160 207 V CB -0.318 30.980 31.823 -0.875 0.000 0.908 207 V HN 0.018 nan 8.190 nan 0.000 0.495 208 F N 0.676 120.627 119.950 0.001 0.000 2.754 208 F HA 0.280 4.807 4.527 0.000 0.000 0.297 208 F C 1.597 177.351 175.800 -0.076 0.000 1.122 208 F CA 0.122 58.139 58.000 0.028 0.000 1.400 208 F CB -0.482 38.578 39.000 0.101 0.000 1.117 208 F HN 0.076 nan 8.300 nan 0.000 0.587 209 S N 0.385 116.100 115.700 0.024 0.000 3.521 209 S HA -0.010 4.460 4.470 0.000 0.000 0.362 209 S C 0.164 174.304 174.600 -0.768 0.000 1.044 209 S CA 0.461 58.562 58.200 -0.165 0.000 1.091 209 S CB -1.757 61.413 63.200 -0.049 0.000 0.908 209 S HN 0.668 nan 8.310 nan 0.000 0.473 210 A N -0.595 122.007 122.820 -0.362 0.000 2.586 210 A HA 0.723 5.043 4.320 0.000 0.000 0.290 210 A C -0.467 177.081 177.584 -0.060 0.000 1.086 210 A CA -0.468 51.377 52.037 -0.321 0.000 0.665 210 A CB 0.292 19.141 19.000 -0.252 0.000 1.279 210 A HN 0.417 nan 8.150 nan 0.000 0.423 211 Y N 0.714 120.823 120.300 -0.318 0.000 2.481 211 Y HA 0.343 4.893 4.550 0.000 0.000 0.258 211 Y C 1.304 176.873 175.900 -0.551 0.000 1.103 211 Y CA 0.468 58.391 58.100 -0.295 0.000 1.287 211 Y CB 0.203 38.541 38.460 -0.204 0.000 1.108 211 Y HN 0.659 nan 8.280 nan 0.000 0.529 212 S N 0.901 116.063 115.700 -0.897 0.000 2.549 212 S HA 0.512 4.982 4.470 0.000 0.000 0.279 212 S C 0.347 174.386 174.600 -0.935 0.000 1.321 212 S CA 0.252 57.698 58.200 -1.256 0.000 1.054 212 S CB 0.541 62.840 63.200 -1.502 0.000 0.899 212 S HN 0.416 nan 8.310 nan 0.000 0.497 213 A N 5.704 127.968 122.820 -0.927 0.000 2.806 213 A HA 0.519 4.840 4.320 0.000 0.000 0.266 213 A C -0.555 176.306 177.584 -1.205 0.000 0.926 213 A CA -0.470 50.940 52.037 -1.046 0.000 1.068 213 A CB -0.027 18.803 19.000 -0.282 0.000 1.189 213 A HN 0.718 nan 8.150 nan 0.000 0.481 214 L N 0.060 120.473 121.223 -1.350 0.000 2.381 214 L HA 0.638 4.978 4.340 0.000 0.000 0.268 214 L C -1.198 175.162 176.870 -0.849 0.000 0.997 214 L CA -0.615 53.749 54.840 -0.793 0.000 0.818 214 L CB 2.100 43.914 42.059 -0.409 0.000 1.310 214 L HN 0.438 nan 8.230 nan 0.000 0.416 215 W N 2.101 123.427 121.300 0.043 0.000 2.740 215 W HA 0.211 4.872 4.660 0.000 0.000 0.316 215 W C -1.153 175.585 176.519 0.364 0.000 1.020 215 W CA -1.099 56.400 57.345 0.256 0.000 1.278 215 W CB 1.133 30.799 29.460 0.344 0.000 1.224 215 W HN 0.489 nan 8.180 nan 0.000 0.393 216 W N 2.291 123.790 121.300 0.331 0.000 2.137 216 W HA 0.221 4.882 4.660 0.000 0.000 0.344 216 W C 1.315 177.561 176.519 -0.454 0.000 1.286 216 W CA 0.493 57.869 57.345 0.052 0.000 1.240 216 W CB 0.694 30.166 29.460 0.019 0.000 1.141 216 W HN 0.162 nan 8.180 nan 0.000 0.579 217 S N 2.259 117.577 115.700 -0.637 0.000 2.601 217 S HA 0.266 4.736 4.470 0.000 0.000 0.271 217 S C -1.850 172.445 174.600 -0.508 0.000 1.305 217 S CA -1.140 56.095 58.200 -1.608 0.000 1.022 217 S CB 1.349 63.766 63.200 -1.305 0.000 0.940 217 S HN 0.248 nan 8.310 nan 0.000 0.525 218 P HA -0.252 nan 4.420 nan 0.000 0.216 218 P C 1.001 178.266 177.300 -0.059 0.000 1.151 218 P CA 2.028 65.083 63.100 -0.075 0.000 0.953 218 P CB -0.258 31.451 31.700 0.015 0.000 0.789 219 N N -1.370 117.297 118.700 -0.054 0.000 2.449 219 N HA 0.070 4.810 4.740 0.000 0.000 0.191 219 N C 0.971 176.419 175.510 -0.103 0.000 1.161 219 N CA 0.896 53.912 53.050 -0.057 0.000 0.863 219 N CB -1.156 37.314 38.487 -0.028 0.000 0.980 219 N HN 0.294 nan 8.380 nan 0.000 0.458 220 G N -1.412 107.328 108.800 -0.101 0.000 2.143 220 G HA2 -0.327 3.633 3.960 0.000 0.000 0.248 220 G HA3 -0.327 3.633 3.960 0.000 0.000 0.248 220 G C 0.822 175.749 174.900 0.044 0.000 0.991 220 G CA 0.775 45.832 45.100 -0.072 0.000 0.689 220 G HN 0.400 nan 8.290 nan 0.000 0.522 221 T N -0.168 114.353 114.554 -0.056 0.000 2.698 221 T HA 0.245 4.595 4.350 0.000 0.000 0.260 221 T C 0.980 175.535 174.700 -0.241 0.000 1.044 221 T CA 1.249 63.207 62.100 -0.236 0.000 1.149 221 T CB -0.060 68.515 68.868 -0.489 0.000 0.864 221 T HN 0.310 nan 8.240 nan 0.000 0.419 222 F N 0.589 120.564 119.950 0.042 0.000 2.399 222 F HA 0.609 5.136 4.527 0.000 0.000 0.328 222 F C -0.163 175.683 175.800 0.076 0.000 1.084 222 F CA -1.482 56.582 58.000 0.107 0.000 1.053 222 F CB 0.798 39.979 39.000 0.301 0.000 1.209 222 F HN -0.077 nan 8.300 nan 0.000 0.502 223 L N 2.630 123.980 121.223 0.212 0.000 2.342 223 L HA 0.748 5.088 4.340 0.000 0.000 0.276 223 L C -0.597 176.355 176.870 0.136 0.000 0.997 223 L CA -0.718 54.064 54.840 -0.097 0.000 0.838 223 L CB 0.528 42.285 42.059 -0.503 0.000 1.224 223 L HN 0.665 nan 8.230 nan 0.000 0.416 224 A N 5.099 128.095 122.820 0.293 0.000 2.309 224 A HA 0.727 5.047 4.320 0.000 0.000 0.298 224 A C -1.319 176.369 177.584 0.172 0.000 1.165 224 A CA -0.239 51.854 52.037 0.093 0.000 0.821 224 A CB 0.329 19.483 19.000 0.257 0.000 1.102 224 A HN 0.853 nan 8.150 nan 0.000 0.500 225 Y N -1.089 119.073 120.300 -0.229 0.000 2.597 225 Y HA 0.776 5.327 4.550 0.000 0.000 0.340 225 Y C -0.268 175.580 175.900 -0.087 0.000 1.097 225 Y CA -0.943 57.098 58.100 -0.099 0.000 1.037 225 Y CB 0.904 39.235 38.460 -0.215 0.000 1.305 225 Y HN 0.879 nan 8.280 nan 0.000 0.463 226 A N 2.070 125.006 122.820 0.194 0.000 2.311 226 A HA 0.714 5.035 4.320 0.000 0.000 0.334 226 A C -1.203 176.298 177.584 -0.137 0.000 1.139 226 A CA -0.880 51.150 52.037 -0.011 0.000 0.830 226 A CB 1.782 20.758 19.000 -0.041 0.000 1.234 226 A HN 0.831 nan 8.150 nan 0.000 0.483 227 Q N 0.660 120.279 119.800 -0.302 0.000 2.304 227 Q HA 0.607 4.947 4.340 0.000 0.000 0.270 227 Q C -2.088 173.663 176.000 -0.413 0.000 1.035 227 Q CA -0.337 55.378 55.803 -0.147 0.000 0.781 227 Q CB 1.151 30.045 28.738 0.261 0.000 1.261 227 Q HN 0.606 nan 8.270 nan 0.000 0.444 228 F N 2.187 122.230 119.950 0.156 0.000 2.480 228 F HA 0.457 4.985 4.527 0.000 0.000 0.329 228 F C 0.400 176.347 175.800 0.245 0.000 1.091 228 F CA -0.932 57.133 58.000 0.108 0.000 0.972 228 F CB 1.491 40.453 39.000 -0.063 0.000 1.150 228 F HN 0.429 nan 8.300 nan 0.000 0.467 229 N N 1.717 120.636 118.700 0.366 0.000 2.524 229 N HA 0.232 4.972 4.740 0.000 0.000 0.261 229 N C -1.139 174.546 175.510 0.291 0.000 0.998 229 N CA -0.434 52.797 53.050 0.301 0.000 0.915 229 N CB 1.015 39.623 38.487 0.203 0.000 1.187 229 N HN 0.523 nan 8.380 nan 0.000 0.507 230 D N 1.743 122.343 120.400 0.333 0.000 2.525 230 D HA 0.144 4.784 4.640 0.000 0.000 0.229 230 D C 1.238 177.661 176.300 0.205 0.000 1.202 230 D CA 0.019 54.185 54.000 0.277 0.000 0.828 230 D CB 0.483 41.490 40.800 0.344 0.000 1.008 230 D HN 0.436 nan 8.370 nan 0.000 0.493 231 T N 0.611 115.267 114.554 0.170 0.000 2.620 231 T HA -0.226 4.124 4.350 0.000 0.000 0.267 231 T C 1.313 176.074 174.700 0.101 0.000 1.044 231 T CA 1.450 63.623 62.100 0.121 0.000 1.161 231 T CB -0.042 68.886 68.868 0.100 0.000 0.862 231 T HN 0.329 nan 8.240 nan 0.000 0.438 232 E N 0.337 120.596 120.200 0.099 0.000 2.444 232 E HA 0.171 4.521 4.350 0.000 0.000 0.191 232 E C -0.403 176.249 176.600 0.086 0.000 1.041 232 E CA -0.264 56.184 56.400 0.080 0.000 0.883 232 E CB 0.478 30.218 29.700 0.067 0.000 1.024 232 E HN 0.208 nan 8.360 nan 0.000 0.470 233 V N 3.492 123.472 119.914 0.109 0.000 2.455 233 V HA 0.106 4.226 4.120 0.000 0.000 0.273 233 V C -1.979 174.176 176.094 0.102 0.000 1.045 233 V CA -1.638 60.729 62.300 0.113 0.000 0.976 233 V CB 0.439 32.348 31.823 0.143 0.000 0.993 233 V HN 0.038 nan 8.190 nan 0.000 0.475 234 P HA 0.171 nan 4.420 nan 0.000 0.269 234 P C -0.717 176.628 177.300 0.075 0.000 1.217 234 P CA -0.120 63.023 63.100 0.071 0.000 0.783 234 P CB 0.454 32.194 31.700 0.066 0.000 0.898 235 L N 2.089 123.336 121.223 0.040 0.000 2.295 235 L HA 0.447 4.787 4.340 0.000 0.000 0.285 235 L C 0.384 177.227 176.870 -0.046 0.000 1.035 235 L CA -1.022 53.828 54.840 0.017 0.000 0.806 235 L CB 1.025 43.086 42.059 0.003 0.000 1.214 235 L HN 0.303 nan 8.230 nan 0.000 0.426 236 I N 2.551 123.056 120.570 -0.108 0.000 2.519 236 I HA 0.241 4.411 4.170 0.000 0.000 0.287 236 I C -0.264 175.727 176.117 -0.210 0.000 1.047 236 I CA 0.363 61.504 61.300 -0.265 0.000 1.381 236 I CB 0.808 38.414 38.000 -0.656 0.000 1.417 236 I HN 0.591 nan 8.210 nan 0.000 0.540 237 E N 6.814 126.902 120.200 -0.186 0.000 2.293 237 E HA 0.539 4.890 4.350 0.000 0.000 0.270 237 E C -1.815 174.736 176.600 -0.083 0.000 0.879 237 E CA -0.605 55.690 56.400 -0.175 0.000 0.756 237 E CB 2.235 31.855 29.700 -0.134 0.000 1.208 237 E HN 0.576 nan 8.360 nan 0.000 0.428 238 Y N -1.989 118.214 120.300 -0.162 0.000 2.656 238 Y HA 0.523 5.073 4.550 0.000 0.000 0.334 238 Y C -0.939 174.885 175.900 -0.127 0.000 1.179 238 Y CA -1.196 56.812 58.100 -0.153 0.000 1.050 238 Y CB 0.731 39.092 38.460 -0.165 0.000 1.308 238 Y HN 0.243 nan 8.280 nan 0.000 0.456 239 S N 1.714 117.414 115.700 -0.001 0.000 2.584 239 S HA 0.560 5.030 4.470 0.000 0.000 0.273 239 S C -1.468 172.997 174.600 -0.225 0.000 1.311 239 S CA -0.357 57.708 58.200 -0.225 0.000 1.034 239 S CB 0.580 63.517 63.200 -0.438 0.000 0.939 239 S HN 0.527 nan 8.310 nan 0.000 0.513 240 F N 1.843 121.511 119.950 -0.470 0.000 2.536 240 F HA 0.435 4.962 4.527 0.000 0.000 0.322 240 F C -0.416 175.112 175.800 -0.453 0.000 1.144 240 F CA -0.850 56.955 58.000 -0.324 0.000 0.924 240 F CB 0.937 39.876 39.000 -0.101 0.000 1.181 240 F HN 0.628 nan 8.300 nan 0.000 0.438 241 Y N 2.587 122.717 120.300 -0.284 0.000 2.448 241 Y HA 0.151 4.701 4.550 0.000 0.000 0.289 241 Y C 1.698 177.553 175.900 -0.075 0.000 1.114 241 Y CA 1.014 59.028 58.100 -0.143 0.000 1.235 241 Y CB -0.606 37.749 38.460 -0.174 0.000 1.045 241 Y HN 0.732 nan 8.280 nan 0.000 0.554 242 S N -0.334 115.322 115.700 -0.074 0.000 3.387 242 S HA -0.226 4.244 4.470 0.000 0.000 0.633 242 S C -0.440 174.220 174.600 0.099 0.000 2.641 242 S CA 0.432 58.724 58.200 0.153 0.000 2.931 242 S CB -1.278 62.091 63.200 0.282 0.000 0.327 242 S HN 0.442 nan 8.310 nan 0.000 1.716 243 D N 1.911 122.382 120.400 0.119 0.000 2.368 243 D HA 0.193 4.833 4.640 0.000 0.000 0.240 243 D C 1.425 177.765 176.300 0.066 0.000 1.169 243 D CA 0.553 54.602 54.000 0.081 0.000 0.906 243 D CB 0.464 41.311 40.800 0.078 0.000 1.187 243 D HN 0.707 nan 8.370 nan 0.000 0.435 244 E N -0.126 120.100 120.200 0.043 0.000 2.396 244 E HA -0.201 4.149 4.350 0.000 0.000 0.200 244 E C 1.118 177.736 176.600 0.031 0.000 1.023 244 E CA 1.122 57.539 56.400 0.028 0.000 0.857 244 E CB 0.049 29.756 29.700 0.012 0.000 0.775 244 E HN 0.303 nan 8.360 nan 0.000 0.525 245 S N 0.203 115.928 115.700 0.041 0.000 2.527 245 S HA -0.032 4.438 4.470 0.000 0.000 0.222 245 S C 0.822 175.454 174.600 0.053 0.000 0.985 245 S CA -0.307 57.918 58.200 0.041 0.000 0.921 245 S CB -0.135 63.090 63.200 0.041 0.000 0.772 245 S HN 0.284 nan 8.310 nan 0.000 0.529 246 L N 2.789 124.053 121.223 0.069 0.000 2.342 246 L HA 0.346 4.686 4.340 0.000 0.000 0.285 246 L C 1.390 178.307 176.870 0.079 0.000 1.095 246 L CA 0.047 54.940 54.840 0.089 0.000 0.843 246 L CB 0.558 42.684 42.059 0.112 0.000 1.201 246 L HN 0.305 nan 8.230 nan 0.000 0.445 247 Q N 3.966 123.816 119.800 0.084 0.000 2.030 247 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 247 Q C -0.444 175.514 176.000 -0.070 0.000 0.986 247 Q CA 1.631 57.442 55.803 0.014 0.000 0.843 247 Q CB 0.044 28.825 28.738 0.072 0.000 0.904 247 Q HN 0.644 nan 8.270 nan 0.000 0.420 248 Y N 1.261 121.579 120.300 0.030 0.000 2.328 248 Y HA 0.359 4.909 4.550 0.000 0.000 0.337 248 Y C -1.988 173.929 175.900 0.028 0.000 1.008 248 Y CA -2.979 55.136 58.100 0.025 0.000 1.129 248 Y CB 1.115 39.580 38.460 0.009 0.000 1.185 248 Y HN 0.224 nan 8.280 nan 0.000 0.476 249 P HA 0.094 nan 4.420 nan 0.000 0.271 249 P C -1.078 176.235 177.300 0.023 0.000 1.218 249 P CA -0.569 62.558 63.100 0.045 0.000 0.780 249 P CB 1.241 32.910 31.700 -0.052 0.000 0.901 250 K N 0.470 120.875 120.400 0.008 0.000 2.098 250 K HA 0.482 4.803 4.320 0.000 0.000 0.261 250 K C -0.530 176.027 176.600 -0.072 0.000 0.987 250 K CA -0.659 55.623 56.287 -0.009 0.000 0.916 250 K CB 0.441 32.947 32.500 0.010 0.000 1.039 250 K HN 0.174 nan 8.250 nan 0.000 0.455 251 T N 2.182 116.678 114.554 -0.096 0.000 2.743 251 T HA 0.213 4.563 4.350 0.000 0.000 0.292 251 T C -0.448 174.124 174.700 -0.215 0.000 0.972 251 T CA -0.707 61.300 62.100 -0.154 0.000 0.967 251 T CB 0.903 69.698 68.868 -0.122 0.000 0.926 251 T HN 0.378 nan 8.240 nan 0.000 0.459 252 V N 5.467 125.155 119.914 -0.377 0.000 2.546 252 V HA 0.429 4.549 4.120 0.000 0.000 0.284 252 V C 0.480 176.306 176.094 -0.447 0.000 1.050 252 V CA -0.432 61.589 62.300 -0.465 0.000 0.981 252 V CB 1.002 32.360 31.823 -0.775 0.000 0.990 252 V HN 0.699 nan 8.190 nan 0.000 0.474 253 R N 3.245 123.610 120.500 -0.225 0.000 2.451 253 R HA 0.686 5.026 4.340 0.000 0.000 0.307 253 R C -1.675 174.616 176.300 -0.015 0.000 0.965 253 R CA -0.452 55.568 56.100 -0.134 0.000 0.865 253 R CB 2.137 32.388 30.300 -0.082 0.000 1.174 253 R HN 0.541 nan 8.270 nan 0.000 0.455 254 V N 4.787 124.699 119.914 -0.003 0.000 2.531 254 V HA 0.346 4.466 4.120 0.000 0.000 0.301 254 V C -2.346 173.806 176.094 0.096 0.000 1.034 254 V CA -2.423 59.946 62.300 0.115 0.000 0.865 254 V CB 2.123 33.986 31.823 0.067 0.000 0.995 254 V HN 0.610 nan 8.190 nan 0.000 0.424 255 P HA 0.163 nan 4.420 nan 0.000 0.265 255 P C -1.332 176.078 177.300 0.183 0.000 1.222 255 P CA 0.446 63.658 63.100 0.188 0.000 0.767 255 P CB -0.169 31.687 31.700 0.260 0.000 0.801 256 Y N 6.270 126.540 120.300 -0.050 0.000 2.330 256 Y HA 0.397 4.947 4.550 0.000 0.000 0.324 256 Y C -2.663 173.201 175.900 -0.060 0.000 1.093 256 Y CA -2.712 55.297 58.100 -0.153 0.000 1.103 256 Y CB 2.192 40.431 38.460 -0.368 0.000 1.183 256 Y HN 0.299 nan 8.280 nan 0.000 0.433 257 P HA 0.246 nan 4.420 nan 0.000 0.291 257 P C -1.242 176.091 177.300 0.056 0.000 1.340 257 P CA -0.267 62.867 63.100 0.056 0.000 0.799 257 P CB 1.535 33.252 31.700 0.027 0.000 0.917 258 K N 2.040 122.553 120.400 0.188 0.000 2.102 258 K HA 0.517 4.837 4.320 0.000 0.000 0.244 258 K C 0.522 177.209 176.600 0.146 0.000 1.021 258 K CA -0.748 55.667 56.287 0.214 0.000 0.913 258 K CB 0.649 33.302 32.500 0.256 0.000 1.062 258 K HN 0.460 nan 8.250 nan 0.000 0.485 259 A N 0.820 123.752 122.820 0.187 0.000 2.591 259 A HA 0.209 4.530 4.320 0.000 0.000 0.244 259 A C 1.238 178.860 177.584 0.062 0.000 1.031 259 A CA 1.178 53.319 52.037 0.174 0.000 0.767 259 A CB -1.285 17.917 19.000 0.336 0.000 0.942 259 A HN 0.928 nan 8.150 nan 0.000 0.514 260 G N 1.018 109.839 108.800 0.036 0.000 2.205 260 G HA2 0.078 4.038 3.960 0.000 0.000 0.261 260 G HA3 0.078 4.038 3.960 0.000 0.000 0.261 260 G C 0.782 175.692 174.900 0.016 0.000 0.980 260 G CA 0.952 46.047 45.100 -0.008 0.000 0.632 260 G HN 2.227 nan 8.290 nan 0.000 0.533 261 A N -0.454 122.393 122.820 0.045 0.000 2.262 261 A HA 0.701 5.021 4.320 0.000 0.000 0.273 261 A C 0.818 178.432 177.584 0.050 0.000 1.202 261 A CA 0.466 52.534 52.037 0.052 0.000 0.811 261 A CB 0.443 19.489 19.000 0.076 0.000 1.159 261 A HN 1.126 nan 8.150 nan 0.000 0.505 262 V N 1.804 121.751 119.914 0.055 0.000 2.455 262 V HA 0.070 4.190 4.120 0.000 0.000 0.273 262 V C 0.548 176.688 176.094 0.076 0.000 1.045 262 V CA 0.034 62.368 62.300 0.056 0.000 0.976 262 V CB -0.146 31.711 31.823 0.057 0.000 0.993 262 V HN 0.849 nan 8.190 nan 0.000 0.475 263 N N 6.131 124.876 118.700 0.076 0.000 2.445 263 N HA 0.389 5.129 4.740 0.000 0.000 0.264 263 N C -2.387 173.211 175.510 0.146 0.000 1.227 263 N CA -1.155 51.965 53.050 0.117 0.000 0.963 263 N CB 0.943 39.499 38.487 0.115 0.000 1.188 263 N HN 0.467 nan 8.380 nan 0.000 0.491 264 P HA 0.075 nan 4.420 nan 0.000 0.274 264 P C -0.848 176.604 177.300 0.254 0.000 1.246 264 P CA -0.208 63.047 63.100 0.258 0.000 0.795 264 P CB 0.742 32.637 31.700 0.325 0.000 1.006 265 T N -2.076 112.608 114.554 0.217 0.000 2.952 265 T HA 0.611 4.962 4.350 0.000 0.000 0.286 265 T C -0.282 174.528 174.700 0.183 0.000 1.024 265 T CA -0.847 61.338 62.100 0.143 0.000 1.029 265 T CB 1.468 70.394 68.868 0.096 0.000 1.094 265 T HN 0.361 nan 8.240 nan 0.000 0.515 266 V N 0.255 120.242 119.914 0.122 0.000 2.971 266 V HA 0.749 4.870 4.120 0.000 0.000 0.309 266 V C -1.697 174.449 176.094 0.086 0.000 1.130 266 V CA -0.867 61.464 62.300 0.052 0.000 0.964 266 V CB 2.160 34.032 31.823 0.083 0.000 1.029 266 V HN 1.054 nan 8.190 nan 0.000 0.427 267 K N 4.308 124.684 120.400 -0.039 0.000 2.477 267 K HA 0.582 4.902 4.320 0.000 0.000 0.255 267 K C -1.847 174.603 176.600 -0.250 0.000 0.952 267 K CA -0.487 55.727 56.287 -0.122 0.000 0.826 267 K CB 2.746 35.119 32.500 -0.212 0.000 1.331 267 K HN 0.531 nan 8.250 nan 0.000 0.437 268 F N 1.723 121.329 119.950 -0.574 0.000 2.538 268 F HA 0.646 5.173 4.527 0.000 0.000 0.325 268 F C -1.308 173.895 175.800 -0.995 0.000 1.066 268 F CA -0.826 56.822 58.000 -0.588 0.000 0.946 268 F CB 0.936 39.731 39.000 -0.342 0.000 1.199 268 F HN 0.399 nan 8.300 nan 0.000 0.473 269 F N 2.419 121.613 119.950 -1.260 0.000 2.645 269 F HA 0.695 5.222 4.527 0.000 0.000 0.310 269 F C -1.159 173.926 175.800 -1.191 0.000 1.102 269 F CA -1.131 56.243 58.000 -1.043 0.000 0.952 269 F CB 2.020 40.342 39.000 -1.131 0.000 1.326 269 F HN 0.181 nan 8.300 nan 0.000 0.456 270 V N 2.408 122.070 119.914 -0.421 0.000 2.686 270 V HA 0.723 4.843 4.120 0.000 0.000 0.306 270 V C -1.295 174.859 176.094 0.099 0.000 1.065 270 V CA -0.826 61.305 62.300 -0.282 0.000 0.894 270 V CB 2.016 33.465 31.823 -0.624 0.000 1.004 270 V HN 0.639 nan 8.190 nan 0.000 0.424 271 V N 3.883 123.931 119.914 0.223 0.000 2.823 271 V HA 0.606 4.726 4.120 0.000 0.000 0.312 271 V C -0.692 175.580 176.094 0.297 0.000 1.072 271 V CA -0.604 61.852 62.300 0.259 0.000 0.937 271 V CB 2.271 34.195 31.823 0.168 0.000 1.013 271 V HN 0.946 nan 8.190 nan 0.000 0.430 272 N N 3.111 121.945 118.700 0.223 0.000 2.414 272 N HA 0.155 4.895 4.740 0.000 0.000 0.256 272 N C 0.946 176.418 175.510 -0.064 0.000 1.029 272 N CA 0.525 53.581 53.050 0.010 0.000 0.948 272 N CB 1.878 40.339 38.487 -0.044 0.000 1.102 272 N HN 0.925 nan 8.380 nan 0.000 0.496 273 T N -0.072 114.432 114.554 -0.083 0.000 3.067 273 T HA 0.020 4.371 4.350 0.000 0.000 0.261 273 T C 0.741 175.359 174.700 -0.137 0.000 1.110 273 T CA 0.596 62.648 62.100 -0.079 0.000 1.113 273 T CB 0.142 69.061 68.868 0.086 0.000 0.917 273 T HN 0.266 nan 8.240 nan 0.000 0.499 274 D N 2.295 122.600 120.400 -0.157 0.000 2.317 274 D HA 0.024 4.665 4.640 0.000 0.000 0.211 274 D C 1.109 177.332 176.300 -0.127 0.000 0.966 274 D CA 0.868 54.781 54.000 -0.145 0.000 0.876 274 D CB 0.022 40.722 40.800 -0.167 0.000 0.927 274 D HN 0.649 nan 8.370 nan 0.000 0.519 275 S N 0.002 115.626 115.700 -0.127 0.000 2.384 275 S HA 0.384 4.854 4.470 0.000 0.000 0.227 275 S C -0.027 174.506 174.600 -0.110 0.000 1.257 275 S CA -0.712 57.435 58.200 -0.088 0.000 1.249 275 S CB -0.268 62.908 63.200 -0.040 0.000 1.018 275 S HN -0.038 nan 8.310 nan 0.000 0.478 276 L N 1.471 122.558 121.223 -0.225 0.000 2.322 276 L HA 0.751 5.091 4.340 0.000 0.000 0.279 276 L C 0.261 177.028 176.870 -0.171 0.000 1.036 276 L CA -0.476 54.170 54.840 -0.324 0.000 0.807 276 L CB 1.860 43.420 42.059 -0.833 0.000 1.226 276 L HN 0.416 nan 8.230 nan 0.000 0.433 277 S N -0.043 115.691 115.700 0.055 0.000 2.568 277 S HA 0.353 4.823 4.470 0.000 0.000 0.293 277 S C 0.592 175.386 174.600 0.323 0.000 1.089 277 S CA -0.534 57.790 58.200 0.206 0.000 0.945 277 S CB 2.003 65.269 63.200 0.110 0.000 1.077 277 S HN 0.581 nan 8.310 nan 0.000 0.485 278 S N 1.688 117.544 115.700 0.261 0.000 2.461 278 S HA -0.017 4.453 4.470 0.000 0.000 0.228 278 S C 1.613 176.281 174.600 0.114 0.000 1.005 278 S CA 0.750 59.040 58.200 0.150 0.000 0.942 278 S CB -0.187 63.053 63.200 0.068 0.000 0.776 278 S HN 0.522 nan 8.310 nan 0.000 0.514 279 V N 0.906 120.882 119.914 0.102 0.000 2.267 279 V HA -0.029 4.091 4.120 0.000 0.000 0.228 279 V C 1.647 177.783 176.094 0.070 0.000 1.040 279 V CA 1.294 63.636 62.300 0.070 0.000 1.010 279 V CB -0.856 30.999 31.823 0.054 0.000 0.649 279 V HN 0.415 nan 8.190 nan 0.000 0.464 280 T N 0.621 115.212 114.554 0.063 0.000 2.813 280 T HA 0.083 4.433 4.350 0.000 0.000 0.297 280 T C 0.104 174.855 174.700 0.085 0.000 1.036 280 T CA -0.470 61.659 62.100 0.049 0.000 1.044 280 T CB -0.017 68.873 68.868 0.036 0.000 0.993 280 T HN 0.405 nan 8.240 nan 0.000 0.535 281 N N 1.371 120.110 118.700 0.065 0.000 2.524 281 N HA 0.448 5.188 4.740 0.000 0.000 0.283 281 N C -0.029 175.546 175.510 0.109 0.000 1.142 281 N CA -0.328 52.799 53.050 0.128 0.000 0.984 281 N CB 1.141 39.679 38.487 0.085 0.000 1.155 281 N HN 0.840 nan 8.380 nan 0.000 0.467 282 A N 0.993 123.890 122.820 0.129 0.000 2.492 282 A HA 0.254 4.575 4.320 0.000 0.000 0.236 282 A C 0.108 177.735 177.584 0.072 0.000 1.078 282 A CA 0.313 52.394 52.037 0.072 0.000 0.773 282 A CB -0.003 19.017 19.000 0.034 0.000 1.023 282 A HN 0.556 nan 8.150 nan 0.000 0.504 283 T N 1.918 116.515 114.554 0.072 0.000 2.786 283 T HA 0.480 4.830 4.350 0.000 0.000 0.283 283 T C -0.275 174.492 174.700 0.112 0.000 0.992 283 T CA -0.198 61.952 62.100 0.083 0.000 0.954 283 T CB 1.120 70.043 68.868 0.091 0.000 0.934 283 T HN 0.530 nan 8.240 nan 0.000 0.440 284 S N 2.891 118.647 115.700 0.093 0.000 2.442 284 S HA 0.514 4.984 4.470 0.000 0.000 0.297 284 S C -0.015 174.706 174.600 0.202 0.000 1.131 284 S CA -0.686 57.589 58.200 0.126 0.000 1.092 284 S CB 0.242 63.454 63.200 0.020 0.000 0.998 284 S HN 0.475 nan 8.310 nan 0.000 0.478 285 I N 3.121 123.843 120.570 0.252 0.000 2.342 285 I HA 0.285 4.455 4.170 0.000 0.000 0.291 285 I C 0.497 176.753 176.117 0.233 0.000 1.010 285 I CA -0.091 61.378 61.300 0.282 0.000 1.308 285 I CB 0.804 39.052 38.000 0.413 0.000 1.400 285 I HN 0.568 nan 8.210 nan 0.000 0.488 286 Q N 6.241 126.175 119.800 0.224 0.000 2.259 286 Q HA 0.569 4.909 4.340 0.000 0.000 0.246 286 Q C -1.068 174.912 176.000 -0.034 0.000 0.920 286 Q CA -0.456 55.335 55.803 -0.021 0.000 0.895 286 Q CB 1.135 29.833 28.738 -0.066 0.000 1.220 286 Q HN 0.630 nan 8.270 nan 0.000 0.439 287 I N 4.213 124.733 120.570 -0.084 0.000 2.428 287 I HA 0.175 4.345 4.170 0.000 0.000 0.279 287 I C 0.110 176.244 176.117 0.028 0.000 1.040 287 I CA -0.739 60.580 61.300 0.032 0.000 1.171 287 I CB 1.306 39.370 38.000 0.106 0.000 1.312 287 I HN 0.705 nan 8.210 nan 0.000 0.470 288 T N 2.642 117.166 114.554 -0.050 0.000 2.926 288 T HA 0.529 4.880 4.350 0.000 0.000 0.307 288 T C 0.655 175.181 174.700 -0.291 0.000 1.059 288 T CA -0.721 61.294 62.100 -0.141 0.000 1.122 288 T CB 1.441 70.221 68.868 -0.147 0.000 0.972 288 T HN 0.542 nan 8.240 nan 0.000 0.545 289 A N 3.715 126.115 122.820 -0.700 0.000 2.409 289 A HA 0.504 4.824 4.320 0.000 0.000 0.246 289 A C -2.068 175.007 177.584 -0.848 0.000 1.099 289 A CA -1.234 49.903 52.037 -1.500 0.000 0.789 289 A CB -1.025 16.630 19.000 -2.241 0.000 1.053 289 A HN 0.753 nan 8.150 nan 0.000 0.503 290 P HA 0.292 nan 4.420 nan 0.000 0.274 290 P C 0.582 177.652 177.300 -0.383 0.000 1.237 290 P CA 0.496 63.340 63.100 -0.426 0.000 0.793 290 P CB 0.763 32.286 31.700 -0.295 0.000 0.977 291 A N 1.599 124.273 122.820 -0.244 0.000 1.972 291 A HA -0.165 4.155 4.320 0.000 0.000 0.219 291 A C 2.029 179.493 177.584 -0.199 0.000 1.169 291 A CA 2.175 54.089 52.037 -0.205 0.000 0.635 291 A CB -1.728 17.188 19.000 -0.139 0.000 0.810 291 A HN 0.604 nan 8.150 nan 0.000 0.446 292 S N -1.442 114.159 115.700 -0.165 0.000 2.507 292 S HA -0.044 4.427 4.470 0.000 0.000 0.235 292 S C 1.677 176.165 174.600 -0.186 0.000 0.988 292 S CA 1.342 59.457 58.200 -0.141 0.000 0.944 292 S CB -0.255 62.925 63.200 -0.033 0.000 0.762 292 S HN 0.377 nan 8.310 nan 0.000 0.526 293 M N 0.825 120.249 119.600 -0.295 0.000 2.556 293 M HA 0.376 4.856 4.480 0.000 0.000 0.264 293 M C 1.834 177.794 176.300 -0.568 0.000 1.163 293 M CA 0.695 55.729 55.300 -0.444 0.000 1.186 293 M CB -1.162 31.012 32.600 -0.710 0.000 1.321 293 M HN 0.314 nan 8.290 nan 0.000 0.485 294 L N 1.252 122.165 121.223 -0.517 0.000 2.633 294 L HA -0.061 4.279 4.340 0.000 0.000 0.235 294 L C 1.975 178.750 176.870 -0.159 0.000 1.163 294 L CA 0.364 55.004 54.840 -0.334 0.000 0.859 294 L CB -0.787 41.107 42.059 -0.276 0.000 0.973 294 L HN 0.309 nan 8.230 nan 0.000 0.451 295 I N -2.931 117.547 120.570 -0.153 0.000 3.646 295 I HA 0.343 4.513 4.170 0.000 0.000 0.301 295 I C 0.808 176.889 176.117 -0.059 0.000 1.276 295 I CA 0.091 61.333 61.300 -0.098 0.000 1.254 295 I CB -0.379 37.556 38.000 -0.109 0.000 1.020 295 I HN 0.071 nan 8.210 nan 0.000 0.473 296 G N 0.137 108.922 108.800 -0.024 0.000 2.342 296 G HA2 0.119 4.079 3.960 0.000 0.000 0.297 296 G HA3 0.119 4.079 3.960 0.000 0.000 0.297 296 G C -1.847 173.112 174.900 0.097 0.000 1.313 296 G CA -0.767 44.339 45.100 0.011 0.000 0.830 296 G HN 0.062 nan 8.290 nan 0.000 0.506 297 D N 1.283 121.693 120.400 0.016 0.000 2.449 297 D HA 0.446 5.087 4.640 0.000 0.000 0.236 297 D C 0.577 176.838 176.300 -0.065 0.000 1.149 297 D CA 1.048 55.005 54.000 -0.072 0.000 0.878 297 D CB 0.316 41.027 40.800 -0.148 0.000 1.198 297 D HN 0.642 nan 8.370 nan 0.000 0.446 298 H N -1.304 117.606 119.070 -0.266 0.000 2.932 298 H HA 0.383 4.940 4.556 0.000 0.000 0.307 298 H C -1.501 173.687 175.328 -0.233 0.000 1.391 298 H CA -0.811 55.088 56.048 -0.249 0.000 1.130 298 H CB 0.125 29.882 29.762 -0.008 0.000 1.836 298 H HN 0.336 nan 8.280 nan 0.000 0.522 299 Y N 0.037 120.520 120.300 0.305 0.000 2.576 299 Y HA 0.452 5.003 4.550 0.000 0.000 0.346 299 Y C -0.348 175.786 175.900 0.391 0.000 1.018 299 Y CA -1.191 57.096 58.100 0.311 0.000 1.050 299 Y CB 1.871 40.364 38.460 0.054 0.000 1.280 299 Y HN 0.487 nan 8.280 nan 0.000 0.474 300 L N 2.689 124.229 121.223 0.527 0.000 2.276 300 L HA 0.452 4.793 4.340 0.000 0.000 0.286 300 L C 0.338 177.238 176.870 0.050 0.000 1.061 300 L CA -0.326 54.502 54.840 -0.020 0.000 0.807 300 L CB 0.609 42.611 42.059 -0.095 0.000 1.177 300 L HN 0.987 nan 8.230 nan 0.000 0.429 301 C N 1.229 120.427 119.300 -0.169 0.000 3.642 301 C HA 0.539 4.999 4.460 0.000 0.000 0.305 301 C C -0.008 174.867 174.990 -0.191 0.000 1.492 301 C CA -0.409 58.459 59.018 -0.250 0.000 1.809 301 C CB -0.792 26.853 27.740 -0.159 0.000 2.639 301 C HN 0.857 nan 8.230 nan 0.000 0.672 302 D N 0.417 120.714 120.400 -0.173 0.000 2.812 302 D HA 0.359 4.999 4.640 0.000 0.000 0.210 302 D C -1.869 174.160 176.300 -0.451 0.000 1.260 302 D CA 0.147 54.057 54.000 -0.150 0.000 0.817 302 D CB 2.585 43.293 40.800 -0.154 0.000 1.694 302 D HN 0.057 nan 8.370 nan 0.000 0.530 303 V N 2.594 122.155 119.914 -0.590 0.000 2.531 303 V HA 0.629 4.749 4.120 0.000 0.000 0.301 303 V C -0.344 175.349 176.094 -0.668 0.000 1.034 303 V CA -0.336 61.367 62.300 -0.995 0.000 0.865 303 V CB 1.943 32.587 31.823 -1.966 0.000 0.995 303 V HN 0.653 nan 8.190 nan 0.000 0.424 304 T N 3.529 117.760 114.554 -0.538 0.000 3.170 304 T HA 0.306 4.656 4.350 0.000 0.000 0.315 304 T C -0.936 173.595 174.700 -0.282 0.000 0.967 304 T CA -0.507 61.437 62.100 -0.259 0.000 1.024 304 T CB 0.624 69.424 68.868 -0.113 0.000 1.018 304 T HN 0.514 nan 8.240 nan 0.000 0.449 305 W N 2.191 123.408 121.300 -0.139 0.000 2.210 305 W HA 0.474 5.134 4.660 0.000 0.000 0.330 305 W C 1.199 177.563 176.519 -0.257 0.000 1.334 305 W CA -0.334 56.918 57.345 -0.154 0.000 1.227 305 W CB 0.459 29.917 29.460 -0.003 0.000 1.178 305 W HN 0.831 nan 8.180 nan 0.000 0.560 306 A N 2.003 124.652 122.820 -0.285 0.000 1.942 306 A HA 0.177 4.497 4.320 0.000 0.000 0.209 306 A C 1.039 178.569 177.584 -0.090 0.000 1.214 306 A CA 1.613 53.260 52.037 -0.650 0.000 0.686 306 A CB -0.404 17.765 19.000 -1.385 0.000 0.871 306 A HN 0.564 nan 8.150 nan 0.000 0.460 307 T N -5.591 109.001 114.554 0.062 0.000 2.572 307 T HA 0.322 4.673 4.350 0.000 0.000 0.274 307 T C 0.128 174.989 174.700 0.268 0.000 0.949 307 T CA -0.314 61.881 62.100 0.159 0.000 1.126 307 T CB 0.518 69.468 68.868 0.137 0.000 1.478 307 T HN -0.052 nan 8.240 nan 0.000 0.492 308 Q N 0.222 120.164 119.800 0.237 0.000 2.435 308 Q HA 0.186 4.526 4.340 0.000 0.000 0.207 308 Q C 0.681 176.950 176.000 0.448 0.000 0.956 308 Q CA 1.032 56.998 55.803 0.271 0.000 0.917 308 Q CB 0.169 29.026 28.738 0.198 0.000 0.997 308 Q HN 0.801 nan 8.270 nan 0.000 0.497 309 E N -0.161 120.283 120.200 0.406 0.000 2.789 309 E HA 0.167 4.517 4.350 0.000 0.000 0.217 309 E C -0.203 176.643 176.600 0.410 0.000 0.970 309 E CA -0.138 56.499 56.400 0.395 0.000 1.201 309 E CB 1.150 31.003 29.700 0.255 0.000 1.069 309 E HN -0.064 nan 8.360 nan 0.000 0.499 310 R N 1.800 122.524 120.500 0.374 0.000 2.476 310 R HA 0.529 4.869 4.340 0.000 0.000 0.305 310 R C -1.600 174.696 176.300 -0.008 0.000 0.965 310 R CA -0.414 55.795 56.100 0.181 0.000 0.867 310 R CB 1.145 31.462 30.300 0.028 0.000 1.176 310 R HN 0.050 nan 8.270 nan 0.000 0.447 311 I N 3.416 123.859 120.570 -0.212 0.000 2.509 311 I HA 0.416 4.586 4.170 0.000 0.000 0.293 311 I C -0.891 174.920 176.117 -0.510 0.000 1.020 311 I CA -0.487 60.434 61.300 -0.630 0.000 1.088 311 I CB 2.130 39.385 38.000 -1.242 0.000 1.267 311 I HN 0.841 nan 8.210 nan 0.000 0.430 312 S N 7.670 123.044 115.700 -0.543 0.000 2.501 312 S HA 0.798 5.268 4.470 0.000 0.000 0.301 312 S C -0.962 173.335 174.600 -0.504 0.000 1.096 312 S CA -0.718 57.245 58.200 -0.396 0.000 1.063 312 S CB 1.662 64.720 63.200 -0.237 0.000 1.042 312 S HN 0.570 nan 8.310 nan 0.000 0.494 313 L N 1.754 122.703 121.223 -0.458 0.000 2.422 313 L HA 0.550 4.891 4.340 0.000 0.000 0.264 313 L C -0.528 176.068 176.870 -0.456 0.000 0.984 313 L CA -0.715 53.746 54.840 -0.633 0.000 0.819 313 L CB 2.308 43.865 42.059 -0.837 0.000 1.330 313 L HN 0.683 nan 8.230 nan 0.000 0.410 314 Q N 1.444 120.930 119.800 -0.524 0.000 2.333 314 Q HA 0.449 4.789 4.340 0.000 0.000 0.267 314 Q C -1.777 173.992 176.000 -0.385 0.000 1.012 314 Q CA -0.611 55.012 55.803 -0.301 0.000 0.824 314 Q CB 2.561 31.180 28.738 -0.200 0.000 1.290 314 Q HN 0.414 nan 8.270 nan 0.000 0.449 315 W N 2.319 123.589 121.300 -0.050 0.000 2.706 315 W HA 0.634 5.294 4.660 0.000 0.000 0.346 315 W C -0.879 175.688 176.519 0.080 0.000 1.071 315 W CA -0.667 56.698 57.345 0.033 0.000 1.206 315 W CB 1.152 30.620 29.460 0.013 0.000 1.413 315 W HN 0.402 nan 8.180 nan 0.000 0.542 316 L N 2.590 124.052 121.223 0.398 0.000 2.410 316 L HA 0.576 4.916 4.340 0.000 0.000 0.270 316 L C -0.182 176.889 176.870 0.334 0.000 0.983 316 L CA -1.052 53.980 54.840 0.320 0.000 0.822 316 L CB 1.312 43.529 42.059 0.264 0.000 1.285 316 L HN 0.415 nan 8.230 nan 0.000 0.409 317 R N 2.487 123.144 120.500 0.261 0.000 2.694 317 R HA 0.218 4.558 4.340 0.000 0.000 0.268 317 R C 1.004 177.362 176.300 0.096 0.000 1.061 317 R CA -0.100 56.093 56.100 0.154 0.000 1.133 317 R CB 0.549 30.916 30.300 0.111 0.000 1.020 317 R HN 0.662 nan 8.270 nan 0.000 0.475 318 R N 1.347 121.813 120.500 -0.056 0.000 2.117 318 R HA -0.094 4.246 4.340 0.000 0.000 0.243 318 R C 0.449 176.796 176.300 0.080 0.000 1.143 318 R CA 1.255 57.311 56.100 -0.074 0.000 0.968 318 R CB 0.118 30.339 30.300 -0.131 0.000 0.863 318 R HN 0.393 nan 8.270 nan 0.000 0.444 319 I N 2.988 123.589 120.570 0.053 0.000 2.311 319 I HA -0.015 4.155 4.170 0.000 0.000 0.297 319 I C 0.215 176.391 176.117 0.099 0.000 1.131 319 I CA 0.510 61.846 61.300 0.060 0.000 1.289 319 I CB 0.779 38.799 38.000 0.034 0.000 1.446 319 I HN 0.343 nan 8.210 nan 0.000 0.524 320 Q N 4.439 124.301 119.800 0.103 0.000 2.294 320 Q HA -0.076 4.264 4.340 0.000 0.000 0.207 320 Q C 0.436 176.520 176.000 0.139 0.000 0.887 320 Q CA 0.151 56.029 55.803 0.125 0.000 0.987 320 Q CB -0.397 28.376 28.738 0.059 0.000 1.101 320 Q HN 0.630 nan 8.270 nan 0.000 0.447 321 N N -0.875 117.909 118.700 0.140 0.000 2.235 321 N HA -0.002 4.738 4.740 0.000 0.000 0.231 321 N C -1.129 174.493 175.510 0.187 0.000 1.177 321 N CA -0.276 52.848 53.050 0.124 0.000 0.874 321 N CB 0.312 38.846 38.487 0.077 0.000 1.097 321 N HN 0.173 nan 8.380 nan 0.000 0.518 322 Y N 1.062 121.392 120.300 0.049 0.000 2.330 322 Y HA 0.540 5.090 4.550 0.000 0.000 0.324 322 Y C -1.285 174.655 175.900 0.067 0.000 1.093 322 Y CA -0.984 57.144 58.100 0.047 0.000 1.103 322 Y CB 1.343 39.821 38.460 0.030 0.000 1.183 322 Y HN 0.170 nan 8.280 nan 0.000 0.433 323 S N 4.592 120.227 115.700 -0.109 0.000 2.599 323 S HA 0.877 5.347 4.470 0.000 0.000 0.287 323 S C -1.830 172.693 174.600 -0.129 0.000 1.105 323 S CA -0.791 57.410 58.200 0.001 0.000 0.899 323 S CB 1.822 65.039 63.200 0.028 0.000 1.100 323 S HN 1.004 nan 8.310 nan 0.000 0.482 324 V N 2.953 122.885 119.914 0.031 0.000 2.760 324 V HA 0.685 4.806 4.120 0.000 0.000 0.309 324 V C -1.076 175.070 176.094 0.088 0.000 1.077 324 V CA -0.979 61.336 62.300 0.025 0.000 0.910 324 V CB 1.920 33.783 31.823 0.067 0.000 1.008 324 V HN 1.123 nan 8.190 nan 0.000 0.424 325 M N 4.802 124.435 119.600 0.055 0.000 2.238 325 M HA 0.559 5.040 4.480 0.000 0.000 0.350 325 M C -1.327 175.012 176.300 0.066 0.000 1.138 325 M CA -0.244 55.076 55.300 0.033 0.000 1.040 325 M CB 1.243 33.838 32.600 -0.009 0.000 1.639 325 M HN 0.754 nan 8.290 nan 0.000 0.451 326 D N 4.816 125.240 120.400 0.040 0.000 2.256 326 D HA 0.540 5.180 4.640 0.000 0.000 0.246 326 D C -1.117 175.166 176.300 -0.028 0.000 1.042 326 D CA -0.073 53.947 54.000 0.033 0.000 0.841 326 D CB 1.733 42.583 40.800 0.083 0.000 1.223 326 D HN 0.568 nan 8.370 nan 0.000 0.470 327 I N 2.599 123.172 120.570 0.004 0.000 2.382 327 I HA 0.307 4.477 4.170 0.000 0.000 0.286 327 I C -0.618 175.500 176.117 0.001 0.000 1.002 327 I CA -0.670 60.620 61.300 -0.015 0.000 1.135 327 I CB 1.325 39.369 38.000 0.073 0.000 1.288 327 I HN 0.187 nan 8.210 nan 0.000 0.448 328 c N 4.079 122.668 118.600 -0.018 0.000 2.322 328 c HA 0.482 5.052 4.570 0.000 0.000 0.324 328 c C -0.180 174.058 174.090 0.246 0.000 1.284 328 c CA -0.810 55.582 56.329 0.105 0.000 1.606 328 c CB 0.643 43.219 42.510 0.110 0.000 2.251 328 c HN 0.580 nan 8.230 nan 0.000 0.502 329 D N 0.650 121.168 120.400 0.195 0.000 2.181 329 D HA 0.269 4.909 4.640 0.000 0.000 0.248 329 D C -0.555 175.695 176.300 -0.084 0.000 1.020 329 D CA -0.192 53.879 54.000 0.119 0.000 0.891 329 D CB 0.785 41.602 40.800 0.029 0.000 1.187 329 D HN 0.604 nan 8.370 nan 0.000 0.443 330 Y N 1.496 121.414 120.300 -0.637 0.000 2.393 330 Y HA 0.156 4.706 4.550 0.000 0.000 0.338 330 Y C -0.054 175.500 175.900 -0.577 0.000 1.029 330 Y CA -0.558 56.762 58.100 -1.301 0.000 1.239 330 Y CB 0.626 38.098 38.460 -1.646 0.000 1.170 330 Y HN 0.148 nan 8.280 nan 0.000 0.515 331 D N 5.740 125.498 120.400 -1.070 0.000 2.435 331 D HA -0.001 4.639 4.640 0.000 0.000 0.230 331 D C 1.078 176.743 176.300 -1.057 0.000 1.215 331 D CA 0.231 53.777 54.000 -0.756 0.000 0.947 331 D CB 0.332 40.862 40.800 -0.450 0.000 1.048 331 D HN 0.906 nan 8.370 nan 0.000 0.512 332 E N 1.603 121.321 120.200 -0.802 0.000 2.233 332 E HA -0.215 4.135 4.350 0.000 0.000 0.199 332 E C 1.026 177.479 176.600 -0.244 0.000 1.004 332 E CA 1.190 57.339 56.400 -0.420 0.000 0.819 332 E CB 0.419 30.099 29.700 -0.033 0.000 0.738 332 E HN 0.347 nan 8.360 nan 0.000 0.478 333 S N -0.456 115.104 115.700 -0.232 0.000 2.325 333 S HA -0.098 4.373 4.470 0.000 0.000 0.214 333 S C 1.979 176.498 174.600 -0.135 0.000 1.031 333 S CA 0.882 59.003 58.200 -0.132 0.000 0.972 333 S CB -0.223 62.915 63.200 -0.103 0.000 0.908 333 S HN 0.253 nan 8.310 nan 0.000 0.453 334 S N 0.108 115.700 115.700 -0.180 0.000 2.447 334 S HA 0.070 4.540 4.470 0.000 0.000 0.233 334 S C 1.612 176.134 174.600 -0.130 0.000 1.006 334 S CA 1.410 59.529 58.200 -0.134 0.000 0.957 334 S CB -0.684 62.436 63.200 -0.134 0.000 0.773 334 S HN 0.862 nan 8.310 nan 0.000 0.507 335 G N 0.851 109.491 108.800 -0.267 0.000 2.184 335 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 335 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 335 G C 0.277 175.147 174.900 -0.049 0.000 0.975 335 G CA 0.489 45.516 45.100 -0.122 0.000 0.642 335 G HN 0.572 nan 8.290 nan 0.000 0.536 336 R N -1.442 118.953 120.500 -0.175 0.000 2.606 336 R HA 0.623 4.963 4.340 0.000 0.000 0.249 336 R C -0.687 175.493 176.300 -0.201 0.000 1.127 336 R CA -0.592 55.497 56.100 -0.019 0.000 1.133 336 R CB 0.620 30.936 30.300 0.025 0.000 1.243 336 R HN 0.157 nan 8.270 nan 0.000 0.558 337 W N 0.333 121.650 121.300 0.029 0.000 2.532 337 W HA 0.373 5.033 4.660 0.000 0.000 0.321 337 W C -0.557 175.949 176.519 -0.021 0.000 1.037 337 W CA -0.369 56.983 57.345 0.013 0.000 1.220 337 W CB 1.176 30.650 29.460 0.023 0.000 1.361 337 W HN 0.415 nan 8.180 nan 0.000 0.468 338 N N 1.933 120.706 118.700 0.122 0.000 2.314 338 N HA 0.556 5.296 4.740 0.000 0.000 0.294 338 N C -1.554 173.999 175.510 0.071 0.000 1.029 338 N CA -0.611 52.478 53.050 0.065 0.000 0.845 338 N CB 1.250 39.735 38.487 -0.004 0.000 1.321 338 N HN 0.208 nan 8.380 nan 0.000 0.481 339 c N 2.863 121.493 118.600 0.050 0.000 2.301 339 c HA 0.387 4.957 4.570 0.000 0.000 0.313 339 c C 0.355 174.449 174.090 0.008 0.000 1.121 339 c CA -1.174 55.174 56.329 0.033 0.000 1.507 339 c CB -1.348 41.177 42.510 0.025 0.000 1.975 339 c HN 0.623 nan 8.230 nan 0.000 0.425 340 L N 2.884 124.111 121.223 0.007 0.000 2.559 340 L HA 0.014 4.354 4.340 0.000 0.000 0.274 340 L C 1.643 178.501 176.870 -0.021 0.000 1.205 340 L CA 0.130 54.966 54.840 -0.007 0.000 0.907 340 L CB 0.414 42.471 42.059 -0.002 0.000 1.153 340 L HN 0.641 nan 8.230 nan 0.000 0.490 341 V N 3.383 123.278 119.914 -0.032 0.000 2.220 341 V HA -0.401 3.719 4.120 0.000 0.000 0.250 341 V C 2.403 178.460 176.094 -0.062 0.000 1.056 341 V CA 2.203 64.475 62.300 -0.046 0.000 1.016 341 V CB -1.036 30.760 31.823 -0.044 0.000 0.639 341 V HN 1.060 nan 8.190 nan 0.000 0.446 342 A N -0.402 122.386 122.820 -0.053 0.000 2.214 342 A HA -0.260 4.060 4.320 0.000 0.000 0.221 342 A C 2.180 179.708 177.584 -0.093 0.000 1.167 342 A CA 1.966 53.965 52.037 -0.064 0.000 0.670 342 A CB -0.623 18.354 19.000 -0.038 0.000 0.797 342 A HN 0.644 nan 8.150 nan 0.000 0.477 343 R N -1.003 119.449 120.500 -0.080 0.000 2.393 343 R HA 0.151 4.492 4.340 0.000 0.000 0.244 343 R C 0.095 176.288 176.300 -0.179 0.000 0.920 343 R CA -0.182 55.874 56.100 -0.073 0.000 1.076 343 R CB 0.255 30.579 30.300 0.040 0.000 1.119 343 R HN 0.607 nan 8.270 nan 0.000 0.524 344 Q N 0.520 120.189 119.800 -0.218 0.000 2.327 344 Q HA 0.114 4.454 4.340 0.000 0.000 0.254 344 Q C -0.951 174.816 176.000 -0.388 0.000 0.952 344 Q CA 0.269 55.962 55.803 -0.183 0.000 0.884 344 Q CB 0.945 29.625 28.738 -0.097 0.000 1.224 344 Q HN 0.227 nan 8.270 nan 0.000 0.422 345 H N 1.676 120.757 119.070 0.019 0.000 2.727 345 H HA 0.378 4.934 4.556 0.000 0.000 0.330 345 H C -0.761 174.548 175.328 -0.033 0.000 0.986 345 H CA -0.411 55.650 56.048 0.023 0.000 1.251 345 H CB 0.946 30.733 29.762 0.042 0.000 1.493 345 H HN 0.451 nan 8.280 nan 0.000 0.515 346 I N 2.361 122.946 120.570 0.024 0.000 2.396 346 I HA 0.195 4.365 4.170 0.000 0.000 0.292 346 I C 0.131 176.183 176.117 -0.110 0.000 0.999 346 I CA -0.005 61.215 61.300 -0.132 0.000 1.310 346 I CB 1.131 39.018 38.000 -0.188 0.000 1.404 346 I HN 0.576 nan 8.210 nan 0.000 0.496 347 E N 7.576 127.652 120.200 -0.207 0.000 2.244 347 E HA 0.564 4.914 4.350 0.000 0.000 0.260 347 E C -1.454 175.038 176.600 -0.180 0.000 0.884 347 E CA -0.789 55.543 56.400 -0.114 0.000 0.777 347 E CB 1.500 31.177 29.700 -0.039 0.000 1.197 347 E HN 0.540 nan 8.360 nan 0.000 0.416 348 M N 1.232 120.768 119.600 -0.108 0.000 2.622 348 M HA 0.533 5.013 4.480 0.000 0.000 0.276 348 M C -0.964 175.337 176.300 0.001 0.000 1.265 348 M CA -0.871 54.401 55.300 -0.046 0.000 0.850 348 M CB 1.874 34.470 32.600 -0.008 0.000 1.720 348 M HN 0.094 nan 8.290 nan 0.000 0.465 349 S N -0.903 114.805 115.700 0.014 0.000 2.513 349 S HA 0.744 5.215 4.470 0.000 0.000 0.299 349 S C 0.332 174.931 174.600 -0.002 0.000 1.087 349 S CA 0.075 58.272 58.200 -0.004 0.000 1.012 349 S CB 1.331 64.505 63.200 -0.042 0.000 1.044 349 S HN 1.050 nan 8.310 nan 0.000 0.485 350 T N -0.306 114.246 114.554 -0.003 0.000 3.040 350 T HA 0.098 4.448 4.350 0.000 0.000 0.250 350 T C 1.370 176.057 174.700 -0.023 0.000 1.058 350 T CA 0.764 62.863 62.100 -0.002 0.000 0.988 350 T CB -0.276 68.596 68.868 0.006 0.000 0.993 350 T HN 0.699 nan 8.240 nan 0.000 0.519 351 T N -2.389 112.142 114.554 -0.037 0.000 2.971 351 T HA 0.622 4.972 4.350 0.000 0.000 0.252 351 T C 1.031 175.546 174.700 -0.309 0.000 1.022 351 T CA 0.357 62.432 62.100 -0.043 0.000 0.980 351 T CB 0.582 69.511 68.868 0.103 0.000 1.044 351 T HN 0.582 nan 8.240 nan 0.000 0.501 352 G N 0.391 108.830 108.800 -0.602 0.000 2.604 352 G HA2 0.486 4.446 3.960 0.000 0.000 0.242 352 G HA3 0.486 4.446 3.960 0.000 0.000 0.242 352 G C -1.588 173.028 174.900 -0.473 0.000 1.208 352 G CA -0.634 43.860 45.100 -1.010 0.000 0.912 352 G HN 0.476 nan 8.290 nan 0.000 0.502 353 W N -0.190 120.874 121.300 -0.393 0.000 2.166 353 W HA 0.724 5.384 4.660 0.000 0.000 0.364 353 W C -0.274 176.206 176.519 -0.065 0.000 1.344 353 W CA -1.212 56.022 57.345 -0.184 0.000 1.471 353 W CB 0.494 29.816 29.460 -0.230 0.000 1.220 353 W HN 0.249 nan 8.180 nan 0.000 0.666 354 V N 2.903 122.895 119.914 0.131 0.000 2.439 354 V HA 0.665 4.785 4.120 0.000 0.000 0.282 354 V C 0.821 176.981 176.094 0.111 0.000 1.039 354 V CA 0.359 62.691 62.300 0.053 0.000 0.913 354 V CB 0.089 31.947 31.823 0.058 0.000 0.983 354 V HN 1.251 nan 8.190 nan 0.000 0.460 355 G N 5.125 113.944 108.800 0.033 0.000 2.860 355 G HA2 -0.203 3.757 3.960 0.000 0.000 0.553 355 G HA3 -0.203 3.757 3.960 0.000 0.000 0.553 355 G C 0.417 175.392 174.900 0.125 0.000 1.439 355 G CA 0.260 45.404 45.100 0.073 0.000 0.879 355 G HN 0.671 nan 8.290 nan 0.000 0.545 356 R N -0.613 119.950 120.500 0.106 0.000 2.070 356 R HA 0.058 4.398 4.340 0.000 0.000 0.232 356 R C 2.060 178.340 176.300 -0.033 0.000 1.138 356 R CA 2.274 58.398 56.100 0.039 0.000 0.936 356 R CB -0.137 30.185 30.300 0.035 0.000 0.839 356 R HN 0.495 nan 8.270 nan 0.000 0.429 357 F N -0.891 119.192 119.950 0.221 0.000 2.789 357 F HA 0.260 4.787 4.527 0.000 0.000 0.320 357 F C 0.306 176.126 175.800 0.034 0.000 1.079 357 F CA -0.471 57.599 58.000 0.116 0.000 1.205 357 F CB 0.789 39.851 39.000 0.103 0.000 1.046 357 F HN -0.062 nan 8.300 nan 0.000 0.586 358 R N -1.091 119.539 120.500 0.217 0.000 2.739 358 R HA 0.350 4.690 4.340 0.000 0.000 0.266 358 R C -3.366 172.992 176.300 0.097 0.000 1.044 358 R CA -1.798 54.362 56.100 0.100 0.000 0.885 358 R CB -0.010 30.300 30.300 0.017 0.000 1.260 358 R HN -0.339 nan 8.270 nan 0.000 0.477 359 P HA -0.075 nan 4.420 nan 0.000 0.261 359 P C -0.132 177.195 177.300 0.045 0.000 1.173 359 P CA 0.402 63.526 63.100 0.041 0.000 0.760 359 P CB 0.603 32.306 31.700 0.005 0.000 0.783 360 S N 2.318 118.057 115.700 0.064 0.000 2.576 360 S HA 0.077 4.547 4.470 0.000 0.000 0.272 360 S C 0.271 174.905 174.600 0.056 0.000 1.352 360 S CA -0.719 57.536 58.200 0.090 0.000 1.021 360 S CB 0.397 63.667 63.200 0.117 0.000 0.887 360 S HN 0.546 nan 8.310 nan 0.000 0.542 361 E N 1.595 121.851 120.200 0.093 0.000 2.331 361 E HA 0.357 4.707 4.350 0.000 0.000 0.272 361 E C -2.707 173.925 176.600 0.055 0.000 1.036 361 E CA -2.045 54.374 56.400 0.032 0.000 0.864 361 E CB 0.421 30.142 29.700 0.035 0.000 1.035 361 E HN 0.476 nan 8.360 nan 0.000 0.408 362 P HA 0.239 nan 4.420 nan 0.000 0.284 362 P C -0.802 176.433 177.300 -0.110 0.000 1.258 362 P CA -0.451 62.564 63.100 -0.141 0.000 0.824 362 P CB 0.923 32.197 31.700 -0.711 0.000 1.038 363 H N 1.756 120.833 119.070 0.011 0.000 2.736 363 H HA 0.268 4.824 4.556 0.000 0.000 0.271 363 H C -0.094 175.340 175.328 0.176 0.000 1.184 363 H CA -0.390 55.748 56.048 0.151 0.000 1.378 363 H CB 0.065 29.947 29.762 0.200 0.000 1.428 363 H HN 0.299 nan 8.280 nan 0.000 0.500 364 F N 1.792 121.896 119.950 0.256 0.000 2.490 364 F HA -0.010 4.517 4.527 0.000 0.000 0.336 364 F C 1.801 177.781 175.800 0.300 0.000 1.178 364 F CA -0.030 58.137 58.000 0.279 0.000 1.301 364 F CB 0.703 39.794 39.000 0.152 0.000 1.175 364 F HN 0.344 nan 8.300 nan 0.000 0.593 365 T N -0.297 114.541 114.554 0.474 0.000 2.788 365 T HA 0.305 4.655 4.350 0.000 0.000 0.280 365 T C 1.186 176.071 174.700 0.308 0.000 0.984 365 T CA -0.797 61.523 62.100 0.367 0.000 0.972 365 T CB 0.621 69.691 68.868 0.338 0.000 1.039 365 T HN 0.372 nan 8.240 nan 0.000 0.530 366 L N 1.221 122.585 121.223 0.235 0.000 1.997 366 L HA -0.085 4.255 4.340 0.000 0.000 0.216 366 L C 2.376 179.357 176.870 0.185 0.000 1.074 366 L CA 2.187 57.141 54.840 0.191 0.000 0.763 366 L CB -1.307 40.843 42.059 0.152 0.000 0.890 366 L HN 0.889 nan 8.230 nan 0.000 0.434 367 D N -0.989 119.521 120.400 0.183 0.000 2.363 367 D HA 0.067 4.707 4.640 0.000 0.000 0.220 367 D C 1.698 178.110 176.300 0.187 0.000 0.994 367 D CA 0.764 54.863 54.000 0.164 0.000 0.890 367 D CB -0.412 40.474 40.800 0.144 0.000 0.906 367 D HN 0.352 nan 8.370 nan 0.000 0.530 368 G N 0.439 109.391 108.800 0.253 0.000 2.166 368 G HA2 -0.376 3.584 3.960 0.000 0.000 0.260 368 G HA3 -0.376 3.584 3.960 0.000 0.000 0.260 368 G C 0.990 176.102 174.900 0.353 0.000 0.986 368 G CA 0.465 45.748 45.100 0.304 0.000 0.683 368 G HN 0.374 nan 8.290 nan 0.000 0.527 369 N N 0.129 119.001 118.700 0.286 0.000 2.446 369 N HA 0.115 4.855 4.740 0.000 0.000 0.179 369 N C 1.202 176.853 175.510 0.235 0.000 1.054 369 N CA 1.273 54.463 53.050 0.234 0.000 0.905 369 N CB 0.286 38.865 38.487 0.154 0.000 0.973 369 N HN 0.896 nan 8.380 nan 0.000 0.448 370 S N -0.413 115.450 115.700 0.273 0.000 2.685 370 S HA 0.789 5.259 4.470 0.000 0.000 0.282 370 S C -0.952 173.745 174.600 0.161 0.000 1.159 370 S CA -0.949 57.299 58.200 0.079 0.000 0.833 370 S CB 1.996 65.142 63.200 -0.091 0.000 1.151 370 S HN 0.148 nan 8.310 nan 0.000 0.485 371 F N -2.302 117.474 119.950 -0.291 0.000 2.744 371 F HA 0.739 5.266 4.527 0.000 0.000 0.311 371 F C -2.370 173.232 175.800 -0.330 0.000 1.144 371 F CA -1.533 56.232 58.000 -0.392 0.000 0.938 371 F CB 0.429 38.799 39.000 -1.049 0.000 1.292 371 F HN 0.599 nan 8.300 nan 0.000 0.444 372 Y N 1.486 121.930 120.300 0.239 0.000 2.360 372 Y HA 0.687 5.237 4.550 0.000 0.000 0.337 372 Y C -0.113 175.931 175.900 0.241 0.000 1.039 372 Y CA -0.781 57.439 58.100 0.199 0.000 1.109 372 Y CB 1.976 40.490 38.460 0.091 0.000 1.201 372 Y HN 0.708 nan 8.280 nan 0.000 0.458 373 K N 3.328 123.940 120.400 0.353 0.000 2.535 373 K HA 0.508 4.829 4.320 0.000 0.000 0.251 373 K C -1.577 175.163 176.600 0.234 0.000 0.942 373 K CA -0.555 55.893 56.287 0.268 0.000 0.798 373 K CB 1.444 34.027 32.500 0.139 0.000 1.267 373 K HN 0.714 nan 8.250 nan 0.000 0.434 374 I N 6.821 127.494 120.570 0.171 0.000 2.436 374 I HA 0.209 4.379 4.170 0.000 0.000 0.289 374 I C 0.311 176.515 176.117 0.145 0.000 1.083 374 I CA -0.257 61.125 61.300 0.136 0.000 1.372 374 I CB 0.102 38.158 38.000 0.095 0.000 1.408 374 I HN 0.485 nan 8.210 nan 0.000 0.516 375 I N 2.158 122.844 120.570 0.193 0.000 2.934 375 I HA 0.518 4.688 4.170 0.000 0.000 0.306 375 I C -0.178 176.046 176.117 0.177 0.000 1.110 375 I CA -0.764 60.643 61.300 0.178 0.000 1.019 375 I CB 2.139 40.267 38.000 0.214 0.000 1.227 375 I HN 0.341 nan 8.210 nan 0.000 0.434 376 S N 2.522 118.267 115.700 0.074 0.000 2.564 376 S HA 0.258 4.728 4.470 0.000 0.000 0.278 376 S C -0.135 174.500 174.600 0.058 0.000 1.333 376 S CA -0.439 57.749 58.200 -0.020 0.000 1.048 376 S CB -0.018 63.114 63.200 -0.114 0.000 0.900 376 S HN 0.863 nan 8.310 nan 0.000 0.505 377 N N 2.478 121.120 118.700 -0.098 0.000 2.604 377 N HA 0.226 4.966 4.740 0.000 0.000 0.297 377 N C 1.009 176.433 175.510 -0.144 0.000 1.266 377 N CA -0.194 52.712 53.050 -0.241 0.000 0.961 377 N CB -0.201 37.752 38.487 -0.891 0.000 1.166 377 N HN 0.726 nan 8.380 nan 0.000 0.601 378 E N -1.006 119.107 120.200 -0.145 0.000 2.108 378 E HA -0.271 4.079 4.350 0.000 0.000 0.203 378 E C 0.672 177.221 176.600 -0.085 0.000 1.022 378 E CA 1.456 57.807 56.400 -0.082 0.000 0.823 378 E CB -0.270 29.382 29.700 -0.081 0.000 0.744 378 E HN 0.570 nan 8.360 nan 0.000 0.456 379 E N 0.060 120.207 120.200 -0.089 0.000 2.489 379 E HA 0.034 4.384 4.350 0.000 0.000 0.193 379 E C 0.935 177.485 176.600 -0.084 0.000 1.057 379 E CA 0.645 57.031 56.400 -0.023 0.000 0.866 379 E CB 0.612 30.358 29.700 0.075 0.000 0.916 379 E HN 0.545 nan 8.360 nan 0.000 0.500 380 G N 0.796 109.498 108.800 -0.164 0.000 2.141 380 G HA2 -0.291 3.669 3.960 0.000 0.000 0.242 380 G HA3 -0.291 3.669 3.960 0.000 0.000 0.242 380 G C -0.202 174.411 174.900 -0.478 0.000 0.982 380 G CA 0.146 45.050 45.100 -0.326 0.000 0.662 380 G HN 0.222 nan 8.290 nan 0.000 0.527 381 Y N 0.212 120.361 120.300 -0.252 0.000 2.342 381 Y HA 0.620 5.171 4.550 0.000 0.000 0.334 381 Y C 1.200 176.873 175.900 -0.378 0.000 1.067 381 Y CA -0.853 57.061 58.100 -0.310 0.000 1.128 381 Y CB 1.025 39.316 38.460 -0.282 0.000 1.200 381 Y HN 0.088 nan 8.280 nan 0.000 0.464 382 R N 3.876 124.188 120.500 -0.313 0.000 2.288 382 R HA 0.241 4.581 4.340 0.000 0.000 0.330 382 R C -0.706 175.271 176.300 -0.538 0.000 1.069 382 R CA -0.027 55.902 56.100 -0.285 0.000 0.941 382 R CB 0.040 30.243 30.300 -0.161 0.000 0.998 382 R HN 0.648 nan 8.270 nan 0.000 0.452 383 H N 1.690 120.707 119.070 -0.088 0.000 2.908 383 H HA 0.367 4.923 4.556 0.000 0.000 0.350 383 H C -0.005 175.365 175.328 0.069 0.000 1.217 383 H CA -0.997 54.981 56.048 -0.117 0.000 1.168 383 H CB 1.549 31.142 29.762 -0.282 0.000 1.891 383 H HN 0.295 nan 8.280 nan 0.000 0.566 384 I N 1.153 121.800 120.570 0.128 0.000 2.416 384 I HA 0.070 4.240 4.170 0.000 0.000 0.288 384 I C 0.242 176.418 176.117 0.098 0.000 1.051 384 I CA 0.042 61.385 61.300 0.072 0.000 1.375 384 I CB 0.501 38.436 38.000 -0.109 0.000 1.407 384 I HN 0.139 nan 8.210 nan 0.000 0.516 385 c N 6.976 125.590 118.600 0.024 0.000 2.417 385 c HA 0.380 4.951 4.570 0.000 0.000 0.324 385 c C -0.332 173.649 174.090 -0.181 0.000 1.240 385 c CA -0.628 55.498 56.329 -0.338 0.000 1.632 385 c CB 0.870 42.885 42.510 -0.824 0.000 2.241 385 c HN 0.728 nan 8.230 nan 0.000 0.499 386 Y N 4.333 124.335 120.300 -0.497 0.000 2.313 386 Y HA 0.600 5.150 4.550 0.000 0.000 0.332 386 Y C -0.852 174.596 175.900 -0.753 0.000 1.071 386 Y CA -0.490 57.255 58.100 -0.592 0.000 1.169 386 Y CB 0.521 38.736 38.460 -0.409 0.000 1.192 386 Y HN 0.678 nan 8.280 nan 0.000 0.487 387 F N 3.853 123.099 119.950 -1.173 0.000 2.546 387 F HA 0.386 4.913 4.527 0.000 0.000 0.320 387 F C -0.516 174.536 175.800 -1.246 0.000 1.076 387 F CA -1.025 56.195 58.000 -1.299 0.000 0.928 387 F CB 1.804 39.640 39.000 -1.939 0.000 1.189 387 F HN 0.350 nan 8.300 nan 0.000 0.465 388 Q N 3.293 122.750 119.800 -0.572 0.000 2.282 388 Q HA 0.348 4.689 4.340 0.000 0.000 0.260 388 Q C 1.052 177.035 176.000 -0.029 0.000 0.964 388 Q CA -0.438 55.169 55.803 -0.326 0.000 0.880 388 Q CB 2.433 31.021 28.738 -0.250 0.000 1.286 388 Q HN 0.900 nan 8.270 nan 0.000 0.445 389 I N -2.054 118.595 120.570 0.133 0.000 2.614 389 I HA -0.147 4.023 4.170 0.000 0.000 0.258 389 I C 0.486 176.757 176.117 0.257 0.000 1.189 389 I CA 1.253 62.762 61.300 0.349 0.000 1.462 389 I CB 0.151 38.361 38.000 0.350 0.000 1.092 389 I HN 0.302 nan 8.210 nan 0.000 0.442 390 D N 1.383 121.859 120.400 0.126 0.000 2.324 390 D HA 0.108 4.748 4.640 0.000 0.000 0.212 390 D C 0.488 176.807 176.300 0.032 0.000 0.984 390 D CA 0.531 54.567 54.000 0.061 0.000 0.885 390 D CB 0.412 41.232 40.800 0.033 0.000 0.996 390 D HN 0.439 nan 8.370 nan 0.000 0.505 391 K N 0.937 121.356 120.400 0.032 0.000 2.118 391 K HA 0.268 4.588 4.320 0.000 0.000 0.267 391 K C 0.819 177.451 176.600 0.053 0.000 0.991 391 K CA -0.240 56.045 56.287 -0.002 0.000 0.916 391 K CB 1.781 34.243 32.500 -0.063 0.000 1.041 391 K HN -0.241 nan 8.250 nan 0.000 0.455 392 K N 0.865 121.268 120.400 0.005 0.000 2.404 392 K HA 0.043 4.364 4.320 0.000 0.000 0.194 392 K C -0.564 176.036 176.600 -0.001 0.000 1.023 392 K CA 0.429 56.736 56.287 0.032 0.000 1.094 392 K CB 0.408 32.895 32.500 -0.022 0.000 0.841 392 K HN 0.495 nan 8.250 nan 0.000 0.523 393 D N 1.212 121.556 120.400 -0.093 0.000 2.381 393 D HA 0.083 4.723 4.640 0.000 0.000 0.235 393 D C -0.049 176.031 176.300 -0.367 0.000 1.068 393 D CA -0.405 53.483 54.000 -0.187 0.000 0.832 393 D CB 1.170 41.882 40.800 -0.146 0.000 1.101 393 D HN 0.167 nan 8.370 nan 0.000 0.515 394 c N 1.252 119.473 118.600 -0.632 0.000 2.422 394 c HA 0.784 5.354 4.570 0.000 0.000 0.364 394 c C 0.413 174.054 174.090 -0.749 0.000 1.251 394 c CA -0.381 55.312 56.329 -1.060 0.000 2.441 394 c CB 0.730 41.878 42.510 -2.271 0.000 2.393 394 c HN 0.479 nan 8.230 nan 0.000 0.606 395 T N 2.130 116.296 114.554 -0.648 0.000 2.812 395 T HA 0.494 4.844 4.350 0.000 0.000 0.282 395 T C -0.735 173.726 174.700 -0.397 0.000 0.990 395 T CA 0.106 61.981 62.100 -0.375 0.000 0.960 395 T CB 0.552 69.358 68.868 -0.104 0.000 0.948 395 T HN 0.501 nan 8.240 nan 0.000 0.438 396 F N 3.227 123.061 119.950 -0.193 0.000 2.456 396 F HA 0.291 4.818 4.527 0.000 0.000 0.358 396 F C 1.598 177.221 175.800 -0.296 0.000 1.095 396 F CA -0.966 56.900 58.000 -0.224 0.000 1.216 396 F CB 0.446 39.314 39.000 -0.219 0.000 1.125 396 F HN 0.564 nan 8.300 nan 0.000 0.549 397 I N -0.538 119.881 120.570 -0.252 0.000 4.018 397 I HA 0.268 4.438 4.170 0.000 0.000 0.337 397 I C 0.041 175.923 176.117 -0.392 0.000 1.327 397 I CA 0.062 60.935 61.300 -0.711 0.000 1.100 397 I CB -0.029 37.265 38.000 -1.177 0.000 1.025 397 I HN 0.493 nan 8.210 nan 0.000 0.396 398 T N -0.137 114.269 114.554 -0.247 0.000 2.883 398 T HA 0.720 5.070 4.350 0.000 0.000 0.301 398 T C -0.781 173.515 174.700 -0.673 0.000 1.158 398 T CA -0.704 61.235 62.100 -0.268 0.000 1.007 398 T CB 2.718 71.496 68.868 -0.151 0.000 1.186 398 T HN 0.491 nan 8.240 nan 0.000 0.499 399 K N -0.228 119.649 120.400 -0.871 0.000 2.615 399 K HA 0.814 5.135 4.320 0.000 0.000 0.291 399 K C -0.417 175.577 176.600 -1.009 0.000 1.017 399 K CA -0.842 54.646 56.287 -1.331 0.000 0.882 399 K CB 1.264 33.353 32.500 -0.685 0.000 1.522 399 K HN 1.687 nan 8.250 nan 0.000 0.412 400 G N -0.087 108.164 108.800 -0.915 0.000 2.340 400 G HA2 0.082 4.042 3.960 0.000 0.000 0.527 400 G HA3 0.082 4.042 3.960 0.000 0.000 0.527 400 G C -0.692 173.656 174.900 -0.920 0.000 1.381 400 G CA -0.429 44.275 45.100 -0.660 0.000 1.001 400 G HN 1.088 nan 8.290 nan 0.000 0.626 401 T N -0.271 113.897 114.554 -0.642 0.000 4.313 401 T HA 0.554 4.904 4.350 0.000 0.000 0.272 401 T C 0.249 174.748 174.700 -0.334 0.000 1.298 401 T CA 0.653 62.165 62.100 -0.980 0.000 1.124 401 T CB -0.965 67.593 68.868 -0.517 0.000 1.352 401 T HN 1.635 nan 8.240 nan 0.000 1.013 402 W N -0.218 120.891 121.300 -0.319 0.000 2.926 402 W HA 0.592 5.252 4.660 0.000 0.000 0.361 402 W C -1.564 174.928 176.519 -0.045 0.000 1.195 402 W CA -0.953 56.361 57.345 -0.052 0.000 1.177 402 W CB 0.557 29.986 29.460 -0.051 0.000 1.453 402 W HN 0.233 nan 8.180 nan 0.000 0.571 403 E N 0.603 120.991 120.200 0.314 0.000 2.369 403 E HA 0.485 4.835 4.350 0.000 0.000 0.270 403 E C -1.316 175.421 176.600 0.228 0.000 0.909 403 E CA -1.221 55.177 56.400 -0.003 0.000 0.775 403 E CB 3.292 33.003 29.700 0.019 0.000 1.270 403 E HN 0.166 nan 8.360 nan 0.000 0.445 404 V N 3.497 123.428 119.914 0.028 0.000 2.368 404 V HA 0.025 4.145 4.120 0.000 0.000 0.266 404 V C 1.266 177.452 176.094 0.154 0.000 1.045 404 V CA -0.192 62.204 62.300 0.160 0.000 0.899 404 V CB 0.472 32.279 31.823 -0.027 0.000 1.006 404 V HN 0.675 nan 8.190 nan 0.000 0.470 405 I N 3.465 124.152 120.570 0.195 0.000 2.252 405 I HA 0.106 4.276 4.170 0.000 0.000 0.245 405 I C 1.181 177.408 176.117 0.183 0.000 1.102 405 I CA 1.324 62.734 61.300 0.182 0.000 1.385 405 I CB -1.005 37.044 38.000 0.082 0.000 1.064 405 I HN 0.738 nan 8.210 nan 0.000 0.414 406 G N 0.164 109.070 108.800 0.177 0.000 2.667 406 G HA2 0.527 4.488 3.960 0.000 0.000 0.294 406 G HA3 0.527 4.488 3.960 0.000 0.000 0.294 406 G C -1.298 173.682 174.900 0.133 0.000 1.467 406 G CA -0.603 44.592 45.100 0.158 0.000 0.852 406 G HN -0.031 nan 8.290 nan 0.000 0.521 407 I N 1.547 122.125 120.570 0.013 0.000 2.371 407 I HA 0.251 4.421 4.170 0.000 0.000 0.290 407 I C 0.796 176.857 176.117 -0.093 0.000 1.028 407 I CA -0.461 60.751 61.300 -0.146 0.000 1.345 407 I CB 1.655 39.312 38.000 -0.571 0.000 1.407 407 I HN 0.515 nan 8.210 nan 0.000 0.501 408 E N 5.078 125.281 120.200 0.005 0.000 2.290 408 E HA 0.343 4.694 4.350 0.000 0.000 0.197 408 E C 0.106 176.634 176.600 -0.121 0.000 0.948 408 E CA 0.193 56.630 56.400 0.062 0.000 0.895 408 E CB 0.831 30.652 29.700 0.203 0.000 0.865 408 E HN 0.644 nan 8.360 nan 0.000 0.486 409 A N 0.686 123.341 122.820 -0.275 0.000 2.604 409 A HA 0.627 4.948 4.320 0.000 0.000 0.295 409 A C -1.949 175.561 177.584 -0.124 0.000 1.067 409 A CA -0.622 51.175 52.037 -0.401 0.000 0.683 409 A CB 1.404 19.567 19.000 -1.396 0.000 1.281 409 A HN 0.040 nan 8.150 nan 0.000 0.407 410 L N 1.110 122.309 121.223 -0.040 0.000 2.464 410 L HA 0.867 5.207 4.340 0.000 0.000 0.266 410 L C -0.011 176.898 176.870 0.064 0.000 0.965 410 L CA 0.586 55.434 54.840 0.015 0.000 0.833 410 L CB 2.263 44.362 42.059 0.067 0.000 1.296 410 L HN 1.336 nan 8.230 nan 0.000 0.405 411 T N -0.634 113.962 114.554 0.069 0.000 2.831 411 T HA 0.415 4.765 4.350 0.000 0.000 0.287 411 T C 0.816 175.550 174.700 0.055 0.000 1.070 411 T CA 0.081 62.235 62.100 0.091 0.000 1.010 411 T CB 1.201 70.154 68.868 0.142 0.000 1.264 411 T HN 0.706 nan 8.240 nan 0.000 0.532 412 S N -0.595 115.138 115.700 0.054 0.000 2.481 412 S HA -0.027 4.444 4.470 0.000 0.000 0.231 412 S C 0.718 175.288 174.600 -0.050 0.000 0.996 412 S CA 0.941 59.158 58.200 0.028 0.000 0.942 412 S CB -0.496 62.727 63.200 0.040 0.000 0.768 412 S HN 0.683 nan 8.310 nan 0.000 0.520 413 D N -0.718 119.631 120.400 -0.084 0.000 2.431 413 D HA 0.295 4.935 4.640 0.000 0.000 0.227 413 D C -0.484 175.491 176.300 -0.542 0.000 1.030 413 D CA 0.634 54.457 54.000 -0.295 0.000 0.897 413 D CB 0.290 40.938 40.800 -0.254 0.000 1.058 413 D HN 0.424 nan 8.370 nan 0.000 0.500 414 Y N -0.436 119.779 120.300 -0.141 0.000 2.581 414 Y HA 0.516 5.067 4.550 0.000 0.000 0.345 414 Y C -0.799 174.887 175.900 -0.357 0.000 1.036 414 Y CA -1.050 56.870 58.100 -0.300 0.000 1.042 414 Y CB 2.257 40.417 38.460 -0.500 0.000 1.289 414 Y HN -0.305 nan 8.280 nan 0.000 0.471 415 L N 2.433 123.513 121.223 -0.240 0.000 2.372 415 L HA 0.586 4.926 4.340 0.000 0.000 0.274 415 L C -1.895 174.826 176.870 -0.247 0.000 0.988 415 L CA -0.549 54.131 54.840 -0.267 0.000 0.833 415 L CB 0.741 42.557 42.059 -0.405 0.000 1.236 415 L HN 0.597 nan 8.230 nan 0.000 0.410 416 Y N 4.890 125.096 120.300 -0.157 0.000 2.323 416 Y HA 0.539 5.089 4.550 0.000 0.000 0.331 416 Y C -0.254 175.639 175.900 -0.012 0.000 1.092 416 Y CA -0.220 57.790 58.100 -0.151 0.000 1.150 416 Y CB 1.147 39.403 38.460 -0.340 0.000 1.200 416 Y HN 0.550 nan 8.280 nan 0.000 0.472 417 Y N -0.208 120.140 120.300 0.079 0.000 2.689 417 Y HA 0.838 5.388 4.550 0.000 0.000 0.333 417 Y C -1.827 174.146 175.900 0.122 0.000 1.190 417 Y CA -2.003 56.134 58.100 0.061 0.000 1.063 417 Y CB 1.201 39.667 38.460 0.012 0.000 1.294 417 Y HN 0.390 nan 8.280 nan 0.000 0.466 418 I N 2.490 123.211 120.570 0.252 0.000 2.569 418 I HA 0.693 4.863 4.170 0.000 0.000 0.296 418 I C -0.609 175.669 176.117 0.268 0.000 1.028 418 I CA -0.593 60.800 61.300 0.154 0.000 1.082 418 I CB 2.245 40.295 38.000 0.083 0.000 1.264 418 I HN 0.892 nan 8.210 nan 0.000 0.429 419 S N 2.514 118.327 115.700 0.189 0.000 2.656 419 S HA 0.427 4.897 4.470 0.000 0.000 0.273 419 S C -0.792 173.849 174.600 0.069 0.000 1.168 419 S CA -0.912 57.396 58.200 0.179 0.000 0.817 419 S CB 1.670 64.997 63.200 0.211 0.000 1.146 419 S HN 0.650 nan 8.310 nan 0.000 0.475 420 N N -0.509 118.238 118.700 0.079 0.000 2.458 420 N HA 0.173 4.913 4.740 0.000 0.000 0.274 420 N C 0.406 175.893 175.510 -0.037 0.000 1.242 420 N CA -0.350 52.708 53.050 0.015 0.000 0.904 420 N CB 0.451 38.939 38.487 0.002 0.000 1.206 420 N HN 0.828 nan 8.380 nan 0.000 0.510 421 E N -0.085 119.951 120.200 -0.273 0.000 2.046 421 E HA -0.178 4.172 4.350 0.000 0.000 0.190 421 E C -0.259 176.198 176.600 -0.237 0.000 0.982 421 E CA 0.140 56.143 56.400 -0.662 0.000 0.800 421 E CB -0.098 28.610 29.700 -1.654 0.000 0.756 421 E HN 0.360 nan 8.360 nan 0.000 0.449 422 Y N 2.411 122.620 120.300 -0.151 0.000 2.881 422 Y HA -0.161 4.389 4.550 0.000 0.000 0.335 422 Y C 0.348 176.212 175.900 -0.060 0.000 1.263 422 Y CA 0.814 58.874 58.100 -0.066 0.000 1.572 422 Y CB -0.001 38.445 38.460 -0.022 0.000 1.237 422 Y HN 0.147 nan 8.280 nan 0.000 0.568 423 K N 3.374 123.521 120.400 -0.422 0.000 3.048 423 K HA -0.252 4.068 4.320 0.000 0.000 0.274 423 K C 0.839 177.364 176.600 -0.124 0.000 1.098 423 K CA 0.819 56.893 56.287 -0.354 0.000 0.807 423 K CB -1.801 30.389 32.500 -0.517 0.000 1.217 423 K HN 1.276 nan 8.250 nan 0.000 0.477 424 G N 0.889 109.638 108.800 -0.086 0.000 2.341 424 G HA2 -0.321 3.639 3.960 0.000 0.000 0.292 424 G HA3 -0.321 3.639 3.960 0.000 0.000 0.292 424 G C 0.006 174.901 174.900 -0.008 0.000 1.021 424 G CA 0.949 46.044 45.100 -0.007 0.000 0.905 424 G HN 0.356 nan 8.290 nan 0.000 0.508 425 M N -0.376 119.143 119.600 -0.135 0.000 2.066 425 M HA 0.252 4.732 4.480 0.000 0.000 0.340 425 M C -1.430 174.638 176.300 -0.388 0.000 1.053 425 M CA -2.085 52.973 55.300 -0.403 0.000 0.983 425 M CB 1.887 34.291 32.600 -0.327 0.000 1.520 425 M HN -0.141 nan 8.290 nan 0.000 0.428 426 P HA -0.074 nan 4.420 nan 0.000 0.220 426 P C 1.268 178.431 177.300 -0.229 0.000 1.148 426 P CA 1.000 63.937 63.100 -0.272 0.000 0.803 426 P CB 0.179 31.725 31.700 -0.257 0.000 0.782 427 G N -1.068 107.527 108.800 -0.342 0.000 2.920 427 G HA2 0.203 4.163 3.960 0.000 0.000 0.208 427 G HA3 0.203 4.163 3.960 0.000 0.000 0.208 427 G C 0.712 175.631 174.900 0.030 0.000 1.159 427 G CA 0.199 45.225 45.100 -0.122 0.000 0.784 427 G HN 0.401 nan 8.290 nan 0.000 0.535 428 G N -0.488 108.276 108.800 -0.060 0.000 2.471 428 G HA2 0.694 4.654 3.960 0.000 0.000 0.332 428 G HA3 0.694 4.654 3.960 0.000 0.000 0.332 428 G C -0.869 173.955 174.900 -0.126 0.000 1.176 428 G CA -0.942 44.164 45.100 0.010 0.000 0.949 428 G HN 0.221 nan 8.290 nan 0.000 0.488 429 R N 0.418 120.819 120.500 -0.165 0.000 2.535 429 R HA 0.351 4.691 4.340 0.000 0.000 0.274 429 R C -1.230 175.054 176.300 -0.027 0.000 1.090 429 R CA -0.773 55.199 56.100 -0.214 0.000 0.930 429 R CB 2.189 32.125 30.300 -0.606 0.000 1.223 429 R HN 0.559 nan 8.270 nan 0.000 0.441 430 N N 1.616 120.313 118.700 -0.004 0.000 2.455 430 N HA 0.340 5.081 4.740 0.000 0.000 0.278 430 N C -1.640 173.743 175.510 -0.211 0.000 1.291 430 N CA -0.861 52.089 53.050 -0.167 0.000 0.780 430 N CB 2.389 40.652 38.487 -0.374 0.000 1.520 430 N HN 0.204 nan 8.380 nan 0.000 0.486 431 L N 2.004 122.955 121.223 -0.453 0.000 2.265 431 L HA 0.446 4.786 4.340 0.000 0.000 0.288 431 L C -1.417 175.116 176.870 -0.562 0.000 1.058 431 L CA 0.055 54.664 54.840 -0.384 0.000 0.809 431 L CB -0.419 41.389 42.059 -0.418 0.000 1.179 431 L HN 0.401 nan 8.230 nan 0.000 0.429 432 Y N 3.679 123.629 120.300 -0.583 0.000 2.598 432 Y HA 0.682 5.232 4.550 0.000 0.000 0.340 432 Y C -0.391 175.158 175.900 -0.584 0.000 1.038 432 Y CA -0.849 56.846 58.100 -0.675 0.000 1.100 432 Y CB 1.717 39.547 38.460 -1.051 0.000 1.281 432 Y HN 0.575 nan 8.280 nan 0.000 0.488 433 K N 1.609 121.850 120.400 -0.264 0.000 2.501 433 K HA 0.733 5.053 4.320 0.000 0.000 0.252 433 K C -1.989 174.565 176.600 -0.076 0.000 0.934 433 K CA -0.729 55.346 56.287 -0.354 0.000 0.797 433 K CB 2.775 34.799 32.500 -0.794 0.000 1.270 433 K HN 0.743 nan 8.250 nan 0.000 0.431 434 I N 1.900 122.511 120.570 0.068 0.000 2.509 434 I HA 0.199 4.369 4.170 0.000 0.000 0.293 434 I C -0.807 175.435 176.117 0.209 0.000 1.020 434 I CA -0.839 60.568 61.300 0.179 0.000 1.088 434 I CB 2.137 40.245 38.000 0.180 0.000 1.267 434 I HN 0.851 nan 8.210 nan 0.000 0.430 435 Q N 5.841 125.757 119.800 0.193 0.000 2.286 435 Q HA 0.189 4.529 4.340 0.000 0.000 0.267 435 Q C 0.428 176.394 176.000 -0.057 0.000 1.028 435 Q CA -0.162 55.590 55.803 -0.085 0.000 0.901 435 Q CB 1.183 29.879 28.738 -0.070 0.000 1.183 435 Q HN 0.791 nan 8.270 nan 0.000 0.392 436 L N 2.300 123.420 121.223 -0.172 0.000 2.275 436 L HA -0.168 4.173 4.340 0.000 0.000 0.215 436 L C 2.194 178.960 176.870 -0.174 0.000 1.119 436 L CA 1.143 55.947 54.840 -0.061 0.000 0.790 436 L CB -0.315 41.669 42.059 -0.124 0.000 0.919 436 L HN 0.651 nan 8.230 nan 0.000 0.443 437 S N -2.467 113.097 115.700 -0.226 0.000 2.446 437 S HA -0.039 4.432 4.470 0.000 0.000 0.225 437 S C 0.693 175.108 174.600 -0.308 0.000 1.016 437 S CA 0.096 58.151 58.200 -0.243 0.000 0.943 437 S CB 0.095 63.187 63.200 -0.179 0.000 0.786 437 S HN 0.337 nan 8.310 nan 0.000 0.508 438 D N -0.180 120.064 120.400 -0.259 0.000 2.386 438 D HA 0.259 4.899 4.640 0.000 0.000 0.247 438 D C -0.491 175.769 176.300 -0.066 0.000 1.336 438 D CA -0.653 53.218 54.000 -0.215 0.000 0.976 438 D CB 0.638 41.373 40.800 -0.108 0.000 1.257 438 D HN 0.004 nan 8.370 nan 0.000 0.570 439 Y N 1.191 121.474 120.300 -0.027 0.000 2.421 439 Y HA -0.132 4.419 4.550 0.000 0.000 0.292 439 Y C 2.648 178.556 175.900 0.012 0.000 1.136 439 Y CA 1.371 59.465 58.100 -0.010 0.000 1.255 439 Y CB -1.042 37.411 38.460 -0.012 0.000 0.991 439 Y HN 0.451 nan 8.280 nan 0.000 0.552 440 T N -1.873 112.760 114.554 0.132 0.000 2.881 440 T HA -0.131 4.219 4.350 0.000 0.000 0.270 440 T C 0.773 175.525 174.700 0.086 0.000 1.068 440 T CA 0.642 62.797 62.100 0.090 0.000 1.131 440 T CB -0.292 68.603 68.868 0.045 0.000 0.871 440 T HN 0.153 nan 8.240 nan 0.000 0.479 441 K N 1.841 122.293 120.400 0.087 0.000 2.231 441 K HA 0.504 4.824 4.320 0.000 0.000 0.275 441 K C -1.304 175.367 176.600 0.119 0.000 1.105 441 K CA -0.386 55.953 56.287 0.086 0.000 0.931 441 K CB 1.298 33.840 32.500 0.071 0.000 1.296 441 K HN 0.121 nan 8.250 nan 0.000 0.446 442 V N 2.450 122.430 119.914 0.109 0.000 2.495 442 V HA 0.300 4.420 4.120 0.000 0.000 0.298 442 V C -0.122 176.017 176.094 0.075 0.000 1.031 442 V CA -0.676 61.699 62.300 0.126 0.000 0.871 442 V CB 2.019 33.939 31.823 0.161 0.000 0.988 442 V HN 0.615 nan 8.190 nan 0.000 0.432 443 T N 3.397 117.963 114.554 0.020 0.000 2.815 443 T HA 0.251 4.602 4.350 0.000 0.000 0.289 443 T C -0.402 174.177 174.700 -0.202 0.000 1.000 443 T CA -0.247 61.805 62.100 -0.080 0.000 0.958 443 T CB 1.125 69.916 68.868 -0.129 0.000 0.944 443 T HN 0.810 nan 8.240 nan 0.000 0.442 444 C N 4.699 123.802 119.300 -0.329 0.000 2.601 444 C HA 0.467 4.927 4.460 0.000 0.000 0.409 444 C C 1.415 176.067 174.990 -0.563 0.000 1.293 444 C CA -0.431 58.124 59.018 -0.772 0.000 2.101 444 C CB -1.264 25.908 27.740 -0.946 0.000 2.639 444 C HN 0.981 nan 8.230 nan 0.000 0.592 445 L N 4.548 125.403 121.223 -0.614 0.000 2.766 445 L HA 0.170 4.510 4.340 0.000 0.000 0.242 445 L C 1.770 178.327 176.870 -0.522 0.000 1.136 445 L CA 0.425 54.996 54.840 -0.449 0.000 0.933 445 L CB -0.111 41.731 42.059 -0.362 0.000 1.241 445 L HN 0.881 nan 8.230 nan 0.000 0.522 446 S N -3.131 112.153 115.700 -0.693 0.000 2.631 446 S HA -0.009 4.462 4.470 0.000 0.000 0.246 446 S C 1.758 175.996 174.600 -0.603 0.000 1.068 446 S CA 0.012 57.715 58.200 -0.828 0.000 0.995 446 S CB -0.188 62.118 63.200 -1.491 0.000 0.944 446 S HN 0.268 nan 8.310 nan 0.000 0.529 447 C N 2.902 121.795 119.300 -0.679 0.000 2.349 447 C HA -0.083 4.378 4.460 0.000 0.000 0.274 447 C C 2.523 177.252 174.990 -0.436 0.000 1.178 447 C CA 1.422 59.968 59.018 -0.786 0.000 1.769 447 C CB -0.952 26.011 27.740 -1.296 0.000 2.047 447 C HN 0.593 nan 8.230 nan 0.000 0.448 448 E N 0.480 120.480 120.200 -0.332 0.000 2.489 448 E HA 0.120 4.470 4.350 0.000 0.000 0.193 448 E C 1.984 178.539 176.600 -0.076 0.000 1.057 448 E CA 0.061 56.374 56.400 -0.145 0.000 0.866 448 E CB -0.400 29.227 29.700 -0.122 0.000 0.916 448 E HN 0.661 nan 8.360 nan 0.000 0.500 449 L N 0.614 121.785 121.223 -0.087 0.000 1.997 449 L HA -0.165 4.175 4.340 0.000 0.000 0.216 449 L C 1.177 178.063 176.870 0.027 0.000 1.074 449 L CA 1.181 56.012 54.840 -0.015 0.000 0.763 449 L CB -0.153 41.917 42.059 0.019 0.000 0.890 449 L HN 0.089 nan 8.230 nan 0.000 0.434 450 N N -1.678 117.056 118.700 0.057 0.000 2.946 450 N HA 0.086 4.826 4.740 0.000 0.000 0.213 450 N C -2.100 173.447 175.510 0.063 0.000 1.440 450 N CA -0.872 52.206 53.050 0.047 0.000 0.745 450 N CB 0.875 39.384 38.487 0.037 0.000 1.471 450 N HN -0.164 nan 8.380 nan 0.000 0.569 451 P HA -0.155 nan 4.420 nan 0.000 0.216 451 P C 0.692 178.039 177.300 0.079 0.000 1.150 451 P CA 1.346 64.513 63.100 0.110 0.000 0.843 451 P CB 0.661 32.438 31.700 0.128 0.000 0.787 452 E N -0.445 119.782 120.200 0.044 0.000 2.107 452 E HA -0.125 4.225 4.350 0.000 0.000 0.191 452 E C 2.427 179.029 176.600 0.004 0.000 0.982 452 E CA 0.649 57.063 56.400 0.023 0.000 0.809 452 E CB -0.196 29.511 29.700 0.011 0.000 0.756 452 E HN 0.222 nan 8.360 nan 0.000 0.459 453 R N -0.067 120.426 120.500 -0.011 0.000 2.156 453 R HA 0.092 4.432 4.340 0.000 0.000 0.207 453 R C -0.055 176.200 176.300 -0.075 0.000 1.040 453 R CA 0.456 56.526 56.100 -0.050 0.000 1.013 453 R CB 0.475 30.736 30.300 -0.066 0.000 0.931 453 R HN 0.061 nan 8.270 nan 0.000 0.465 454 c N 1.226 119.794 118.600 -0.053 0.000 2.293 454 c HA 0.425 4.995 4.570 0.000 0.000 0.323 454 c C 0.065 174.160 174.090 0.010 0.000 1.240 454 c CA -0.627 55.618 56.329 -0.140 0.000 1.497 454 c CB 1.236 43.605 42.510 -0.235 0.000 2.171 454 c HN 0.538 nan 8.230 nan 0.000 0.465 455 Q N 0.542 120.340 119.800 -0.003 0.000 2.103 455 Q HA 0.204 4.544 4.340 0.000 0.000 0.219 455 Q C -0.909 175.189 176.000 0.164 0.000 0.784 455 Q CA 0.105 55.989 55.803 0.136 0.000 1.014 455 Q CB 1.250 30.060 28.738 0.120 0.000 1.183 455 Q HN 0.838 nan 8.270 nan 0.000 0.469 456 Y N 0.432 120.662 120.300 -0.117 0.000 2.359 456 Y HA 0.349 4.899 4.550 0.000 0.000 0.336 456 Y C -1.635 174.167 175.900 -0.162 0.000 1.098 456 Y CA -0.954 57.102 58.100 -0.073 0.000 1.272 456 Y CB 0.838 39.249 38.460 -0.082 0.000 1.112 456 Y HN -0.076 nan 8.280 nan 0.000 0.481 457 Y N 1.973 122.226 120.300 -0.077 0.000 2.567 457 Y HA 0.716 5.266 4.550 0.000 0.000 0.333 457 Y C 0.185 176.042 175.900 -0.072 0.000 1.106 457 Y CA -0.714 57.352 58.100 -0.057 0.000 1.157 457 Y CB 2.223 40.619 38.460 -0.106 0.000 1.277 457 Y HN 0.466 nan 8.280 nan 0.000 0.490 458 S N 0.211 116.018 115.700 0.179 0.000 2.595 458 S HA 0.845 5.316 4.470 0.000 0.000 0.281 458 S C -1.716 172.965 174.600 0.134 0.000 1.117 458 S CA -0.706 57.573 58.200 0.132 0.000 0.873 458 S CB 1.716 65.007 63.200 0.151 0.000 1.108 458 S HN 0.666 nan 8.310 nan 0.000 0.477 459 V N 0.453 120.444 119.914 0.127 0.000 3.141 459 V HA 0.925 5.045 4.120 0.000 0.000 0.312 459 V C -1.129 175.063 176.094 0.162 0.000 1.157 459 V CA -0.331 62.023 62.300 0.090 0.000 1.041 459 V CB 2.336 34.146 31.823 -0.022 0.000 1.071 459 V HN 1.217 nan 8.190 nan 0.000 0.441 460 S N 2.898 118.674 115.700 0.127 0.000 2.737 460 S HA 0.641 5.111 4.470 0.000 0.000 0.269 460 S C -1.392 173.331 174.600 0.206 0.000 1.150 460 S CA -0.395 57.978 58.200 0.289 0.000 1.077 460 S CB 0.398 63.832 63.200 0.389 0.000 1.075 460 S HN 0.483 nan 8.310 nan 0.000 0.476 461 F N 2.974 122.951 119.950 0.046 0.000 2.377 461 F HA 0.505 5.032 4.527 0.000 0.000 0.328 461 F C 1.406 176.761 175.800 -0.742 0.000 1.094 461 F CA -0.350 57.500 58.000 -0.251 0.000 1.093 461 F CB 1.437 40.303 39.000 -0.223 0.000 1.214 461 F HN 0.610 nan 8.300 nan 0.000 0.518 462 S N 1.658 116.737 115.700 -1.035 0.000 2.626 462 S HA 0.174 4.645 4.470 0.000 0.000 0.257 462 S C 1.206 175.627 174.600 -0.298 0.000 1.288 462 S CA -0.677 56.816 58.200 -1.179 0.000 0.980 462 S CB 0.623 63.198 63.200 -1.041 0.000 0.975 462 S HN 0.663 nan 8.310 nan 0.000 0.577 463 K N 0.421 120.775 120.400 -0.076 0.000 2.059 463 K HA -0.160 4.161 4.320 0.000 0.000 0.212 463 K C 1.030 177.645 176.600 0.026 0.000 1.050 463 K CA 2.035 58.348 56.287 0.043 0.000 0.927 463 K CB -0.298 32.270 32.500 0.112 0.000 0.714 463 K HN 0.609 nan 8.250 nan 0.000 0.447 464 E N -1.351 118.844 120.200 -0.008 0.000 2.496 464 E HA 0.242 4.592 4.350 0.000 0.000 0.200 464 E C -0.382 176.210 176.600 -0.014 0.000 1.016 464 E CA 0.327 56.732 56.400 0.009 0.000 0.962 464 E CB 0.877 30.592 29.700 0.025 0.000 1.071 464 E HN 0.302 nan 8.360 nan 0.000 0.457 465 A N 0.466 123.266 122.820 -0.033 0.000 2.860 465 A HA -0.355 3.965 4.320 0.000 0.000 0.267 465 A C 1.535 179.119 177.584 0.001 0.000 1.421 465 A CA 1.524 53.578 52.037 0.028 0.000 0.831 465 A CB -2.049 16.902 19.000 -0.082 0.000 1.041 465 A HN 0.298 nan 8.150 nan 0.000 0.623 466 K N -1.801 118.532 120.400 -0.112 0.000 2.155 466 K HA 0.107 4.427 4.320 0.000 0.000 0.203 466 K C 0.152 176.418 176.600 -0.557 0.000 1.052 466 K CA 1.511 57.623 56.287 -0.291 0.000 0.948 466 K CB -0.018 32.301 32.500 -0.302 0.000 0.728 466 K HN 0.689 nan 8.250 nan 0.000 0.448 467 Y N -1.206 118.955 120.300 -0.231 0.000 2.609 467 Y HA 0.336 4.887 4.550 0.000 0.000 0.342 467 Y C -1.107 174.595 175.900 -0.331 0.000 1.058 467 Y CA -1.366 56.572 58.100 -0.271 0.000 1.055 467 Y CB 1.692 40.009 38.460 -0.238 0.000 1.292 467 Y HN -0.035 nan 8.280 nan 0.000 0.476 468 Y N -1.105 119.077 120.300 -0.197 0.000 2.482 468 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 468 Y C -1.243 174.620 175.900 -0.062 0.000 1.091 468 Y CA -1.398 56.425 58.100 -0.460 0.000 1.027 468 Y CB 1.394 38.981 38.460 -1.454 0.000 1.306 468 Y HN 0.614 nan 8.280 nan 0.000 0.446 469 Q N 3.829 123.757 119.800 0.212 0.000 2.257 469 Q HA 0.588 4.928 4.340 0.000 0.000 0.255 469 Q C -1.726 174.377 176.000 0.172 0.000 0.920 469 Q CA -0.725 55.194 55.803 0.193 0.000 0.927 469 Q CB 1.333 30.176 28.738 0.175 0.000 1.229 469 Q HN 0.959 nan 8.270 nan 0.000 0.433 470 L N 4.016 125.360 121.223 0.201 0.000 2.317 470 L HA 0.563 4.904 4.340 0.000 0.000 0.281 470 L C -0.261 176.701 176.870 0.153 0.000 1.024 470 L CA -0.592 54.356 54.840 0.181 0.000 0.810 470 L CB 1.677 43.835 42.059 0.164 0.000 1.240 470 L HN 0.607 nan 8.230 nan 0.000 0.427 471 R N 3.135 123.703 120.500 0.113 0.000 2.388 471 R HA 0.364 4.704 4.340 0.000 0.000 0.314 471 R C -1.148 175.026 176.300 -0.209 0.000 0.959 471 R CA -0.467 55.528 56.100 -0.174 0.000 0.851 471 R CB 1.395 31.643 30.300 -0.086 0.000 1.168 471 R HN 0.731 nan 8.270 nan 0.000 0.472 472 c N 3.915 122.248 118.600 -0.445 0.000 2.307 472 c HA 0.498 5.068 4.570 0.000 0.000 0.340 472 c C 1.129 174.979 174.090 -0.400 0.000 1.275 472 c CA -0.257 55.683 56.329 -0.649 0.000 1.811 472 c CB 0.656 42.706 42.510 -0.768 0.000 2.372 472 c HN 0.936 nan 8.230 nan 0.000 0.531 473 S N 3.539 119.095 115.700 -0.240 0.000 2.749 473 S HA 0.623 5.093 4.470 0.000 0.000 0.246 473 S C 0.287 174.837 174.600 -0.083 0.000 1.023 473 S CA 0.207 58.332 58.200 -0.126 0.000 1.012 473 S CB 0.054 63.220 63.200 -0.057 0.000 0.942 473 S HN 1.922 nan 8.310 nan 0.000 0.531 474 G N 1.863 110.598 108.800 -0.110 0.000 2.325 474 G HA2 0.404 4.364 3.960 0.000 0.000 0.297 474 G HA3 0.404 4.364 3.960 0.000 0.000 0.297 474 G C -2.989 171.883 174.900 -0.046 0.000 1.448 474 G CA -0.576 44.498 45.100 -0.043 0.000 0.838 474 G HN -0.131 nan 8.290 nan 0.000 0.579 475 P HA 0.094 nan 4.420 nan 0.000 0.225 475 P C 1.288 178.604 177.300 0.027 0.000 1.156 475 P CA 1.452 64.568 63.100 0.028 0.000 0.787 475 P CB 0.374 32.088 31.700 0.023 0.000 0.802 476 G N 0.331 109.082 108.800 -0.081 0.000 2.525 476 G HA2 0.419 4.379 3.960 0.000 0.000 0.287 476 G HA3 0.419 4.379 3.960 0.000 0.000 0.287 476 G C -0.257 174.401 174.900 -0.402 0.000 1.350 476 G CA -0.776 44.199 45.100 -0.208 0.000 1.039 476 G HN 0.042 nan 8.290 nan 0.000 0.513 477 L N 1.130 122.027 121.223 -0.543 0.000 2.485 477 L HA 0.134 4.475 4.340 0.000 0.000 0.275 477 L C -1.850 174.847 176.870 -0.288 0.000 1.207 477 L CA -1.190 53.306 54.840 -0.574 0.000 0.855 477 L CB 0.425 42.224 42.059 -0.433 0.000 1.114 477 L HN 0.238 nan 8.230 nan 0.000 0.485 478 P HA 0.001 nan 4.420 nan 0.000 0.264 478 P C -0.927 176.287 177.300 -0.143 0.000 1.179 478 P CA 0.102 63.107 63.100 -0.159 0.000 0.763 478 P CB 0.518 32.214 31.700 -0.008 0.000 0.806 479 L N 5.062 126.113 121.223 -0.287 0.000 2.438 479 L HA 0.488 4.829 4.340 0.000 0.000 0.270 479 L C -1.792 174.899 176.870 -0.298 0.000 0.972 479 L CA -0.715 54.026 54.840 -0.165 0.000 0.831 479 L CB 1.095 43.080 42.059 -0.124 0.000 1.273 479 L HN 0.258 nan 8.230 nan 0.000 0.405 480 Y N 2.615 122.878 120.300 -0.061 0.000 2.364 480 Y HA 0.774 5.325 4.550 0.000 0.000 0.340 480 Y C 0.342 176.147 175.900 -0.159 0.000 0.975 480 Y CA -0.495 57.553 58.100 -0.087 0.000 1.089 480 Y CB 2.324 40.702 38.460 -0.137 0.000 1.192 480 Y HN 0.676 nan 8.280 nan 0.000 0.454 481 T N 0.666 115.229 114.554 0.015 0.000 2.900 481 T HA 0.646 4.996 4.350 0.000 0.000 0.303 481 T C -1.618 172.989 174.700 -0.155 0.000 1.142 481 T CA -0.868 61.160 62.100 -0.119 0.000 1.007 481 T CB 1.927 70.733 68.868 -0.103 0.000 1.156 481 T HN 0.398 nan 8.240 nan 0.000 0.490 482 L N 1.876 122.897 121.223 -0.335 0.000 2.325 482 L HA 0.643 4.983 4.340 0.000 0.000 0.278 482 L C -0.652 175.891 176.870 -0.545 0.000 1.023 482 L CA -0.236 54.459 54.840 -0.242 0.000 0.811 482 L CB 1.009 42.993 42.059 -0.125 0.000 1.249 482 L HN 0.827 nan 8.230 nan 0.000 0.431 483 H N 1.268 120.098 119.070 -0.400 0.000 2.928 483 H HA 0.541 5.097 4.556 0.000 0.000 0.371 483 H C -0.988 174.001 175.328 -0.565 0.000 1.186 483 H CA -0.838 54.853 56.048 -0.594 0.000 1.134 483 H CB 2.063 31.161 29.762 -1.108 0.000 1.824 483 H HN 0.584 nan 8.280 nan 0.000 0.554 484 S N 0.232 115.763 115.700 -0.281 0.000 2.509 484 S HA 0.249 4.719 4.470 0.000 0.000 0.297 484 S C 0.590 175.079 174.600 -0.186 0.000 1.118 484 S CA -0.659 57.344 58.200 -0.329 0.000 1.074 484 S CB 1.960 64.996 63.200 -0.274 0.000 1.038 484 S HN 0.562 nan 8.310 nan 0.000 0.498 485 S N 1.895 117.522 115.700 -0.121 0.000 2.387 485 S HA -0.088 4.382 4.470 0.000 0.000 0.226 485 S C 1.939 176.572 174.600 0.055 0.000 1.026 485 S CA 0.848 59.114 58.200 0.110 0.000 0.972 485 S CB -0.508 62.776 63.200 0.139 0.000 0.814 485 S HN 0.698 nan 8.310 nan 0.000 0.477 486 V N 2.576 122.474 119.914 -0.027 0.000 2.324 486 V HA -0.232 3.888 4.120 0.000 0.000 0.250 486 V C 0.861 176.962 176.094 0.011 0.000 1.060 486 V CA 2.146 64.447 62.300 0.002 0.000 1.042 486 V CB -0.465 31.342 31.823 -0.027 0.000 0.650 486 V HN 0.547 nan 8.190 nan 0.000 0.450 487 N N -1.266 117.429 118.700 -0.008 0.000 2.170 487 N HA 0.149 4.889 4.740 0.000 0.000 0.222 487 N C -0.389 175.120 175.510 -0.001 0.000 1.218 487 N CA 0.345 53.393 53.050 -0.003 0.000 0.889 487 N CB 0.573 39.057 38.487 -0.006 0.000 1.083 487 N HN 0.328 nan 8.380 nan 0.000 0.520 488 D N 1.863 122.274 120.400 0.019 0.000 2.737 488 D HA -0.180 4.460 4.640 0.000 0.000 0.233 488 D C -0.279 176.038 176.300 0.027 0.000 1.155 488 D CA 1.187 55.220 54.000 0.056 0.000 0.667 488 D CB -0.827 39.996 40.800 0.039 0.000 1.060 488 D HN 0.592 nan 8.370 nan 0.000 0.427 489 K N -0.709 119.687 120.400 -0.007 0.000 2.118 489 K HA 0.533 4.853 4.320 0.000 0.000 0.264 489 K C 0.685 177.268 176.600 -0.028 0.000 1.000 489 K CA -0.531 55.749 56.287 -0.012 0.000 0.929 489 K CB 1.222 33.707 32.500 -0.025 0.000 1.021 489 K HN -0.024 nan 8.250 nan 0.000 0.463 490 G N 2.944 111.717 108.800 -0.045 0.000 2.391 490 G HA2 0.242 4.202 3.960 0.000 0.000 0.305 490 G HA3 0.242 4.202 3.960 0.000 0.000 0.305 490 G C 0.469 175.255 174.900 -0.191 0.000 1.072 490 G CA -0.751 44.242 45.100 -0.178 0.000 1.016 490 G HN 0.637 nan 8.290 nan 0.000 0.418 491 L N 1.824 122.895 121.223 -0.252 0.000 1.982 491 L HA 0.244 4.584 4.340 0.000 0.000 0.206 491 L C 1.752 178.537 176.870 -0.141 0.000 1.078 491 L CA 1.116 55.870 54.840 -0.143 0.000 0.749 491 L CB -0.182 41.821 42.059 -0.093 0.000 0.894 491 L HN 0.716 nan 8.230 nan 0.000 0.436 492 R N -1.884 118.495 120.500 -0.201 0.000 2.741 492 R HA 0.469 4.810 4.340 0.000 0.000 0.274 492 R C -1.694 174.484 176.300 -0.203 0.000 1.029 492 R CA -0.876 55.128 56.100 -0.160 0.000 0.880 492 R CB 1.578 31.818 30.300 -0.100 0.000 1.264 492 R HN -0.237 nan 8.270 nan 0.000 0.465 493 V N 2.888 122.708 119.914 -0.158 0.000 2.364 493 V HA 0.215 4.335 4.120 0.000 0.000 0.272 493 V C 1.294 177.257 176.094 -0.218 0.000 1.036 493 V CA -0.538 61.667 62.300 -0.159 0.000 0.880 493 V CB 1.121 32.886 31.823 -0.095 0.000 0.991 493 V HN 0.646 nan 8.190 nan 0.000 0.460 494 L N 2.519 123.529 121.223 -0.355 0.000 2.127 494 L HA 0.241 4.581 4.340 0.000 0.000 0.203 494 L C 0.787 177.415 176.870 -0.402 0.000 1.080 494 L CA 0.902 55.328 54.840 -0.690 0.000 0.768 494 L CB 0.138 41.288 42.059 -1.515 0.000 0.924 494 L HN 0.658 nan 8.230 nan 0.000 0.444 495 E N -0.188 119.914 120.200 -0.163 0.000 2.343 495 E HA 0.097 4.448 4.350 0.000 0.000 0.286 495 E C -1.191 175.476 176.600 0.112 0.000 0.915 495 E CA -0.348 56.066 56.400 0.023 0.000 0.784 495 E CB 1.177 30.908 29.700 0.052 0.000 1.251 495 E HN 0.168 nan 8.360 nan 0.000 0.407 496 D N 2.915 123.351 120.400 0.060 0.000 2.469 496 D HA 0.142 4.783 4.640 0.000 0.000 0.213 496 D C -0.377 175.939 176.300 0.028 0.000 1.135 496 D CA -0.234 53.787 54.000 0.036 0.000 0.834 496 D CB -0.012 40.788 40.800 -0.001 0.000 1.009 496 D HN 0.430 nan 8.370 nan 0.000 0.507 497 N N 0.369 119.102 118.700 0.055 0.000 2.740 497 N HA -0.184 4.557 4.740 0.000 0.000 0.248 497 N C 0.460 175.978 175.510 0.012 0.000 1.062 497 N CA 0.790 53.864 53.050 0.040 0.000 0.704 497 N CB -1.305 37.196 38.487 0.024 0.000 0.968 497 N HN 0.158 nan 8.380 nan 0.000 0.547 498 S N -0.068 115.642 115.700 0.016 0.000 2.356 498 S HA -0.110 4.360 4.470 0.000 0.000 0.223 498 S C 2.085 176.697 174.600 0.020 0.000 1.032 498 S CA 1.245 59.450 58.200 0.009 0.000 1.005 498 S CB 0.006 63.214 63.200 0.012 0.000 0.867 498 S HN 0.691 nan 8.310 nan 0.000 0.449 499 A N 1.830 124.673 122.820 0.037 0.000 1.842 499 A HA -0.141 4.179 4.320 0.000 0.000 0.217 499 A C 2.120 179.742 177.584 0.063 0.000 1.206 499 A CA 1.845 53.913 52.037 0.052 0.000 0.630 499 A CB -1.175 17.863 19.000 0.064 0.000 0.839 499 A HN 0.429 nan 8.150 nan 0.000 0.447 500 L N 0.435 121.702 121.223 0.073 0.000 2.051 500 L HA -0.249 4.091 4.340 0.000 0.000 0.214 500 L C 1.958 178.846 176.870 0.030 0.000 1.076 500 L CA 3.006 57.899 54.840 0.089 0.000 0.758 500 L CB -0.892 41.221 42.059 0.090 0.000 0.890 500 L HN 0.581 nan 8.230 nan 0.000 0.433 501 D N -0.839 119.557 120.400 -0.007 0.000 2.117 501 D HA -0.266 4.374 4.640 0.000 0.000 0.197 501 D C 2.266 178.557 176.300 -0.016 0.000 0.987 501 D CA 1.649 55.625 54.000 -0.039 0.000 0.829 501 D CB -0.110 40.660 40.800 -0.050 0.000 0.961 501 D HN 0.440 nan 8.370 nan 0.000 0.460 502 K N -0.487 119.919 120.400 0.011 0.000 2.026 502 K HA -0.147 4.174 4.320 0.000 0.000 0.208 502 K C 2.201 178.822 176.600 0.034 0.000 1.048 502 K CA 1.234 57.534 56.287 0.022 0.000 0.929 502 K CB -0.115 32.405 32.500 0.033 0.000 0.713 502 K HN 0.191 nan 8.250 nan 0.000 0.439 503 M N 0.409 120.046 119.600 0.062 0.000 2.132 503 M HA -0.155 4.326 4.480 0.000 0.000 0.263 503 M C 2.048 178.353 176.300 0.007 0.000 1.065 503 M CA 1.039 56.398 55.300 0.099 0.000 1.122 503 M CB -0.231 32.509 32.600 0.233 0.000 1.365 503 M HN 0.116 nan 8.290 nan 0.000 0.411 504 L N 0.638 121.814 121.223 -0.078 0.000 2.261 504 L HA -0.214 4.126 4.340 0.000 0.000 0.216 504 L C 2.574 179.396 176.870 -0.081 0.000 1.114 504 L CA 1.647 56.385 54.840 -0.171 0.000 0.777 504 L CB -0.855 41.120 42.059 -0.140 0.000 0.910 504 L HN 0.334 nan 8.230 nan 0.000 0.440 505 Q N -0.643 119.137 119.800 -0.033 0.000 2.224 505 Q HA -0.095 4.245 4.340 0.000 0.000 0.203 505 Q C 1.439 177.445 176.000 0.011 0.000 0.970 505 Q CA 0.905 56.703 55.803 -0.009 0.000 0.865 505 Q CB -0.358 28.381 28.738 0.002 0.000 0.922 505 Q HN 0.636 nan 8.270 nan 0.000 0.445 506 N N 0.290 119.004 118.700 0.023 0.000 2.461 506 N HA 0.025 4.765 4.740 0.000 0.000 0.188 506 N C -0.031 175.513 175.510 0.057 0.000 1.134 506 N CA 0.165 53.245 53.050 0.051 0.000 0.878 506 N CB 0.869 39.403 38.487 0.078 0.000 0.972 506 N HN -0.012 nan 8.380 nan 0.000 0.456 507 V N 0.711 120.638 119.914 0.022 0.000 2.815 507 V HA 0.218 4.338 4.120 0.000 0.000 0.314 507 V C 0.230 176.337 176.094 0.022 0.000 1.064 507 V CA -0.832 61.488 62.300 0.032 0.000 0.952 507 V CB 2.508 34.315 31.823 -0.027 0.000 1.020 507 V HN -0.037 nan 8.190 nan 0.000 0.439 508 Q N 2.722 122.549 119.800 0.044 0.000 3.006 508 Q HA 0.349 4.689 4.340 0.000 0.000 0.260 508 Q C -0.565 175.416 176.000 -0.032 0.000 1.356 508 Q CA -0.411 55.389 55.803 -0.005 0.000 1.070 508 Q CB 0.476 29.230 28.738 0.026 0.000 1.507 508 Q HN 0.526 nan 8.270 nan 0.000 0.568 509 M N 2.979 122.549 119.600 -0.050 0.000 2.245 509 M HA 0.204 4.684 4.480 0.000 0.000 0.344 509 M C -1.817 174.422 176.300 -0.101 0.000 1.170 509 M CA -1.997 53.261 55.300 -0.069 0.000 1.135 509 M CB -0.379 32.184 32.600 -0.063 0.000 1.574 509 M HN 0.255 nan 8.290 nan 0.000 0.452 510 P HA 0.282 nan 4.420 nan 0.000 0.277 510 P C -0.784 176.439 177.300 -0.129 0.000 1.271 510 P CA -0.367 62.649 63.100 -0.139 0.000 0.795 510 P CB 0.708 32.315 31.700 -0.156 0.000 1.101 511 S N -1.258 114.351 115.700 -0.151 0.000 2.726 511 S HA 0.658 5.128 4.470 0.000 0.000 0.308 511 S C -0.621 173.887 174.600 -0.152 0.000 1.115 511 S CA -0.770 57.353 58.200 -0.129 0.000 0.965 511 S CB 1.877 64.998 63.200 -0.132 0.000 1.145 511 S HN 0.536 nan 8.310 nan 0.000 0.532 512 K N 0.281 120.612 120.400 -0.114 0.000 2.378 512 K HA 0.462 4.782 4.320 0.000 0.000 0.252 512 K C -1.506 175.038 176.600 -0.093 0.000 0.931 512 K CA -0.579 55.645 56.287 -0.104 0.000 0.794 512 K CB 1.554 34.017 32.500 -0.063 0.000 1.181 512 K HN 0.736 nan 8.250 nan 0.000 0.425 513 K N 5.285 125.627 120.400 -0.096 0.000 2.450 513 K HA 0.305 4.625 4.320 0.000 0.000 0.257 513 K C -1.706 174.879 176.600 -0.024 0.000 0.953 513 K CA -0.801 55.442 56.287 -0.074 0.000 0.844 513 K CB 1.106 33.533 32.500 -0.123 0.000 1.103 513 K HN 0.458 nan 8.250 nan 0.000 0.429 514 L N 3.884 125.108 121.223 0.001 0.000 2.307 514 L HA 0.581 4.921 4.340 0.000 0.000 0.284 514 L C -0.996 175.894 176.870 0.033 0.000 1.023 514 L CA 0.344 55.219 54.840 0.058 0.000 0.810 514 L CB 1.411 43.550 42.059 0.132 0.000 1.231 514 L HN 0.893 nan 8.230 nan 0.000 0.423 515 D N 2.457 122.765 120.400 -0.154 0.000 2.865 515 D HA 0.450 5.090 4.640 0.000 0.000 0.343 515 D C -1.687 174.258 176.300 -0.591 0.000 1.372 515 D CA -0.018 53.760 54.000 -0.370 0.000 0.862 515 D CB 1.322 41.825 40.800 -0.495 0.000 1.425 515 D HN 0.247 nan 8.370 nan 0.000 0.501 516 F N -0.101 119.477 119.950 -0.619 0.000 2.643 516 F HA 0.758 5.286 4.527 0.000 0.000 0.314 516 F C -1.021 174.832 175.800 0.089 0.000 1.096 516 F CA -1.030 56.742 58.000 -0.381 0.000 0.953 516 F CB 1.090 39.494 39.000 -0.994 0.000 1.345 516 F HN 0.318 nan 8.300 nan 0.000 0.468 517 I N 0.184 121.073 120.570 0.532 0.000 2.934 517 I HA 0.690 4.860 4.170 0.000 0.000 0.306 517 I C -1.471 174.927 176.117 0.467 0.000 1.110 517 I CA -1.212 60.321 61.300 0.389 0.000 1.019 517 I CB 2.476 40.635 38.000 0.264 0.000 1.227 517 I HN 0.667 nan 8.210 nan 0.000 0.434 518 I N 4.347 125.113 120.570 0.326 0.000 2.437 518 I HA 0.478 4.648 4.170 0.000 0.000 0.298 518 I C -0.771 175.500 176.117 0.256 0.000 0.984 518 I CA -0.790 60.685 61.300 0.291 0.000 1.214 518 I CB 1.889 40.010 38.000 0.201 0.000 1.365 518 I HN 0.395 nan 8.210 nan 0.000 0.469 519 L N 5.680 127.101 121.223 0.331 0.000 2.491 519 L HA 0.368 4.708 4.340 0.000 0.000 0.267 519 L C -0.737 176.270 176.870 0.228 0.000 0.971 519 L CA -0.695 54.295 54.840 0.250 0.000 0.857 519 L CB 1.432 43.633 42.059 0.237 0.000 1.226 519 L HN 0.631 nan 8.230 nan 0.000 0.408 520 N N 2.977 121.746 118.700 0.116 0.000 2.727 520 N HA -0.232 4.508 4.740 0.000 0.000 0.251 520 N C 0.798 176.353 175.510 0.075 0.000 1.040 520 N CA 1.425 54.522 53.050 0.078 0.000 0.712 520 N CB -0.796 37.728 38.487 0.062 0.000 0.912 520 N HN 0.932 nan 8.380 nan 0.000 0.545 521 E N -3.536 116.704 120.200 0.066 0.000 4.067 521 E HA -0.335 4.015 4.350 0.000 0.000 0.346 521 E C -0.711 175.900 176.600 0.018 0.000 0.613 521 E CA 1.840 58.263 56.400 0.038 0.000 1.252 521 E CB -1.186 28.525 29.700 0.018 0.000 1.731 521 E HN 0.527 nan 8.360 nan 0.000 0.406 522 T N 0.981 115.561 114.554 0.043 0.000 2.909 522 T HA 0.345 4.695 4.350 0.000 0.000 0.289 522 T C -0.109 174.520 174.700 -0.119 0.000 1.005 522 T CA -0.178 61.870 62.100 -0.087 0.000 1.084 522 T CB 1.521 70.297 68.868 -0.153 0.000 0.975 522 T HN 0.175 nan 8.240 nan 0.000 0.509 523 K N 2.385 122.588 120.400 -0.328 0.000 2.240 523 K HA 0.448 4.768 4.320 0.000 0.000 0.271 523 K C -1.532 174.827 176.600 -0.402 0.000 1.018 523 K CA -0.464 55.638 56.287 -0.309 0.000 0.874 523 K CB 0.363 32.556 32.500 -0.511 0.000 1.098 523 K HN 0.419 nan 8.250 nan 0.000 0.458 524 F N 3.560 123.589 119.950 0.133 0.000 2.507 524 F HA 0.402 4.929 4.527 0.000 0.000 0.325 524 F C -0.671 175.325 175.800 0.327 0.000 1.116 524 F CA -0.691 57.437 58.000 0.214 0.000 0.930 524 F CB 0.993 40.134 39.000 0.235 0.000 1.146 524 F HN 0.473 nan 8.300 nan 0.000 0.447 525 W N 3.380 124.884 121.300 0.340 0.000 2.375 525 W HA 0.552 5.213 4.660 0.000 0.000 0.336 525 W C -0.687 176.112 176.519 0.468 0.000 1.160 525 W CA -0.729 56.827 57.345 0.351 0.000 1.266 525 W CB 0.674 30.247 29.460 0.189 0.000 1.195 525 W HN 0.437 nan 8.180 nan 0.000 0.599 526 Y N -0.541 120.168 120.300 0.681 0.000 2.615 526 Y HA 0.699 5.250 4.550 0.000 0.000 0.341 526 Y C -0.965 175.176 175.900 0.403 0.000 1.089 526 Y CA -1.927 56.533 58.100 0.601 0.000 1.049 526 Y CB 1.179 40.103 38.460 0.774 0.000 1.296 526 Y HN 0.559 nan 8.280 nan 0.000 0.470 527 Q N 1.808 121.890 119.800 0.470 0.000 2.421 527 Q HA 0.757 5.097 4.340 0.000 0.000 0.280 527 Q C -1.848 174.284 176.000 0.220 0.000 1.085 527 Q CA -1.150 54.798 55.803 0.243 0.000 0.807 527 Q CB 3.310 32.140 28.738 0.153 0.000 1.405 527 Q HN 0.862 nan 8.270 nan 0.000 0.419 528 M N 2.367 122.017 119.600 0.084 0.000 2.327 528 M HA 0.441 4.922 4.480 0.000 0.000 0.298 528 M C -1.243 174.983 176.300 -0.123 0.000 1.065 528 M CA -0.940 54.334 55.300 -0.043 0.000 0.916 528 M CB 2.198 34.728 32.600 -0.116 0.000 1.630 528 M HN 0.600 nan 8.290 nan 0.000 0.442 529 I N 5.104 125.596 120.570 -0.130 0.000 2.291 529 I HA 0.336 4.506 4.170 0.000 0.000 0.292 529 I C -0.398 175.573 176.117 -0.243 0.000 1.064 529 I CA -0.233 60.968 61.300 -0.164 0.000 1.269 529 I CB 0.147 38.070 38.000 -0.129 0.000 1.418 529 I HN 0.628 nan 8.210 nan 0.000 0.485 530 L N 8.810 129.838 121.223 -0.325 0.000 2.307 530 L HA 0.461 4.801 4.340 0.000 0.000 0.282 530 L C -1.963 174.727 176.870 -0.300 0.000 1.051 530 L CA -1.773 52.791 54.840 -0.459 0.000 0.804 530 L CB 1.259 42.840 42.059 -0.797 0.000 1.197 530 L HN 0.314 nan 8.230 nan 0.000 0.431 531 P HA 0.118 nan 4.420 nan 0.000 0.270 531 P C -2.613 174.642 177.300 -0.075 0.000 1.223 531 P CA -1.292 61.742 63.100 -0.111 0.000 0.785 531 P CB -0.314 31.377 31.700 -0.016 0.000 0.923 532 P HA -0.082 nan 4.420 nan 0.000 0.269 532 P C 0.097 177.313 177.300 -0.140 0.000 1.217 532 P CA 0.648 63.600 63.100 -0.246 0.000 0.783 532 P CB -0.188 31.288 31.700 -0.374 0.000 0.898 533 H N -1.884 117.232 119.070 0.076 0.000 2.741 533 H HA -0.208 4.348 4.556 0.000 0.000 0.305 533 H C 0.188 175.587 175.328 0.119 0.000 1.169 533 H CA 0.166 56.262 56.048 0.080 0.000 1.144 533 H CB -2.569 27.231 29.762 0.063 0.000 1.397 533 H HN 0.414 nan 8.280 nan 0.000 0.409 534 F N 2.462 122.419 119.950 0.010 0.000 2.623 534 F HA 0.107 4.634 4.527 0.000 0.000 0.386 534 F C 0.563 176.386 175.800 0.039 0.000 1.068 534 F CA 0.103 58.072 58.000 -0.053 0.000 1.265 534 F CB 0.476 39.336 39.000 -0.233 0.000 1.026 534 F HN 0.166 nan 8.300 nan 0.000 0.568 535 D N 5.740 125.808 120.400 -0.554 0.000 2.505 535 D HA 0.136 4.777 4.640 0.000 0.000 0.250 535 D C 0.508 176.413 176.300 -0.658 0.000 1.164 535 D CA -0.500 53.233 54.000 -0.445 0.000 0.870 535 D CB 1.457 42.175 40.800 -0.136 0.000 1.160 535 D HN 0.692 nan 8.370 nan 0.000 0.549 536 K N 1.566 121.594 120.400 -0.620 0.000 2.442 536 K HA -0.083 4.237 4.320 0.000 0.000 0.198 536 K C 1.231 177.817 176.600 -0.025 0.000 1.042 536 K CA 1.069 57.181 56.287 -0.291 0.000 0.958 536 K CB 0.245 32.716 32.500 -0.049 0.000 0.766 536 K HN 0.365 nan 8.250 nan 0.000 0.474 537 S N -0.283 115.372 115.700 -0.074 0.000 2.501 537 S HA 0.075 4.545 4.470 0.000 0.000 0.220 537 S C 0.368 174.942 174.600 -0.044 0.000 0.997 537 S CA -0.157 58.023 58.200 -0.033 0.000 0.919 537 S CB 0.110 63.283 63.200 -0.046 0.000 0.778 537 S HN 0.028 nan 8.310 nan 0.000 0.523 538 K N 1.567 121.922 120.400 -0.075 0.000 2.109 538 K HA 0.495 4.815 4.320 0.000 0.000 0.243 538 K C -0.668 175.881 176.600 -0.084 0.000 1.006 538 K CA -0.385 55.805 56.287 -0.161 0.000 0.917 538 K CB 0.637 32.925 32.500 -0.354 0.000 1.081 538 K HN 0.105 nan 8.250 nan 0.000 0.468 539 K N 1.561 121.849 120.400 -0.187 0.000 2.450 539 K HA 0.297 4.617 4.320 0.000 0.000 0.257 539 K C -1.161 175.357 176.600 -0.137 0.000 0.953 539 K CA -0.472 55.790 56.287 -0.042 0.000 0.844 539 K CB 0.891 33.359 32.500 -0.054 0.000 1.103 539 K HN 0.345 nan 8.250 nan 0.000 0.429 540 Y N 2.930 123.264 120.300 0.058 0.000 2.419 540 Y HA 0.335 4.885 4.550 0.000 0.000 0.328 540 Y C -1.928 173.921 175.900 -0.085 0.000 1.162 540 Y CA -2.644 55.465 58.100 0.015 0.000 1.174 540 Y CB 0.464 38.989 38.460 0.108 0.000 1.228 540 Y HN 0.469 nan 8.280 nan 0.000 0.473 541 P HA 0.256 nan 4.420 nan 0.000 0.274 541 P C -1.166 176.022 177.300 -0.187 0.000 1.246 541 P CA -0.328 62.525 63.100 -0.413 0.000 0.795 541 P CB 1.729 32.815 31.700 -1.023 0.000 1.006 542 L N 1.253 122.379 121.223 -0.161 0.000 2.408 542 L HA 0.556 4.896 4.340 0.000 0.000 0.268 542 L C -1.508 175.543 176.870 0.301 0.000 0.986 542 L CA -1.193 53.695 54.840 0.080 0.000 0.820 542 L CB 1.959 44.049 42.059 0.051 0.000 1.303 542 L HN 0.140 nan 8.230 nan 0.000 0.411 543 L N 5.213 126.625 121.223 0.315 0.000 2.316 543 L HA 0.485 4.825 4.340 0.000 0.000 0.280 543 L C -1.239 175.846 176.870 0.359 0.000 1.006 543 L CA -0.313 54.761 54.840 0.390 0.000 0.836 543 L CB 1.501 43.732 42.059 0.286 0.000 1.221 543 L HN 0.645 nan 8.230 nan 0.000 0.418 544 L N 5.117 126.599 121.223 0.432 0.000 2.295 544 L HA 0.350 4.690 4.340 0.000 0.000 0.288 544 L C -0.306 176.793 176.870 0.380 0.000 1.079 544 L CA 0.201 55.278 54.840 0.396 0.000 0.830 544 L CB 0.248 42.590 42.059 0.472 0.000 1.200 544 L HN 0.605 nan 8.230 nan 0.000 0.438 545 D N 4.205 124.806 120.400 0.335 0.000 2.343 545 D HA 0.267 4.907 4.640 0.000 0.000 0.255 545 D C -0.869 175.506 176.300 0.125 0.000 1.187 545 D CA 0.124 54.249 54.000 0.208 0.000 0.875 545 D CB 0.906 41.873 40.800 0.277 0.000 1.136 545 D HN 0.265 nan 8.370 nan 0.000 0.469 546 V N 5.296 125.208 119.914 -0.004 0.000 2.823 546 V HA 0.326 4.446 4.120 0.000 0.000 0.312 546 V C -0.293 175.886 176.094 0.141 0.000 1.072 546 V CA -0.685 61.680 62.300 0.108 0.000 0.937 546 V CB 1.745 33.639 31.823 0.119 0.000 1.013 546 V HN 0.682 nan 8.190 nan 0.000 0.430 547 Y N 2.846 123.214 120.300 0.113 0.000 3.312 547 Y HA 0.517 5.067 4.550 0.000 0.000 0.180 547 Y C 1.608 177.650 175.900 0.236 0.000 0.891 547 Y CA 1.035 59.231 58.100 0.160 0.000 1.762 547 Y CB 0.259 38.792 38.460 0.122 0.000 1.441 547 Y HN 0.754 nan 8.280 nan 0.000 0.362 548 A N 1.221 124.154 122.820 0.188 0.000 2.816 548 A HA -0.178 4.142 4.320 0.000 0.000 0.270 548 A C 0.890 178.308 177.584 -0.277 0.000 1.413 548 A CA 0.968 53.047 52.037 0.071 0.000 0.866 548 A CB -2.464 16.633 19.000 0.163 0.000 1.032 548 A HN 0.957 nan 8.150 nan 0.000 0.642 549 G N -1.002 107.401 108.800 -0.662 0.000 2.684 549 G HA2 0.451 4.411 3.960 0.000 0.000 0.255 549 G HA3 0.451 4.411 3.960 0.000 0.000 0.255 549 G C -2.256 172.324 174.900 -0.534 0.000 1.219 549 G CA -0.696 43.657 45.100 -1.246 0.000 0.901 549 G HN 0.322 nan 8.290 nan 0.000 0.548 550 P HA 0.121 nan 4.420 nan 0.000 0.267 550 P C 0.466 177.628 177.300 -0.229 0.000 1.209 550 P CA 0.140 62.945 63.100 -0.492 0.000 0.763 550 P CB 0.728 31.687 31.700 -1.236 0.000 0.816 551 C N 2.785 122.022 119.300 -0.104 0.000 4.456 551 C HA -0.147 4.314 4.460 0.000 0.000 0.288 551 C C 0.972 175.989 174.990 0.045 0.000 1.374 551 C CA 1.056 59.988 59.018 -0.142 0.000 1.956 551 C CB -2.728 24.788 27.740 -0.372 0.000 1.255 551 C HN 0.773 nan 8.230 nan 0.000 0.788 552 S N -0.138 115.654 115.700 0.153 0.000 2.681 552 S HA 0.629 5.099 4.470 0.000 0.000 0.270 552 S C -0.531 174.245 174.600 0.293 0.000 1.209 552 S CA 0.157 58.542 58.200 0.308 0.000 0.988 552 S CB 1.618 65.075 63.200 0.428 0.000 1.006 552 S HN 0.864 nan 8.310 nan 0.000 0.558 553 Q N -0.307 119.681 119.800 0.314 0.000 2.567 553 Q HA 0.283 4.623 4.340 0.000 0.000 0.233 553 Q C -0.910 175.217 176.000 0.211 0.000 0.833 553 Q CA -0.508 55.466 55.803 0.285 0.000 0.844 553 Q CB 0.774 29.735 28.738 0.372 0.000 1.423 553 Q HN 0.613 nan 8.270 nan 0.000 0.442 554 K N 0.651 121.177 120.400 0.210 0.000 2.374 554 K HA 0.319 4.640 4.320 0.000 0.000 0.196 554 K C -0.193 176.513 176.600 0.176 0.000 1.023 554 K CA 0.375 56.772 56.287 0.184 0.000 1.103 554 K CB 1.293 33.926 32.500 0.222 0.000 0.848 554 K HN 0.454 nan 8.250 nan 0.000 0.528 555 A N 2.632 125.566 122.820 0.190 0.000 2.511 555 A HA 0.386 4.706 4.320 0.000 0.000 0.340 555 A C -0.814 176.836 177.584 0.110 0.000 1.396 555 A CA -0.649 51.502 52.037 0.191 0.000 0.887 555 A CB -0.055 19.125 19.000 0.299 0.000 1.145 555 A HN 0.213 nan 8.150 nan 0.000 0.497 556 D N -0.381 120.053 120.400 0.057 0.000 2.732 556 D HA 0.470 5.110 4.640 0.000 0.000 0.292 556 D C 0.552 176.842 176.300 -0.016 0.000 1.135 556 D CA 0.218 54.228 54.000 0.016 0.000 1.071 556 D CB 0.387 41.189 40.800 0.002 0.000 1.457 556 D HN 0.093 nan 8.370 nan 0.000 0.547 557 T N -2.377 112.173 114.554 -0.006 0.000 3.206 557 T HA 0.301 4.651 4.350 0.000 0.000 0.253 557 T C 0.352 174.994 174.700 -0.097 0.000 1.042 557 T CA -0.445 61.651 62.100 -0.007 0.000 0.931 557 T CB -0.763 68.146 68.868 0.070 0.000 1.029 557 T HN 0.238 nan 8.240 nan 0.000 0.564 558 V N 2.562 122.317 119.914 -0.265 0.000 2.614 558 V HA 0.350 4.470 4.120 0.000 0.000 0.291 558 V C 0.038 176.065 176.094 -0.112 0.000 1.049 558 V CA -1.014 61.097 62.300 -0.314 0.000 1.038 558 V CB 0.250 31.762 31.823 -0.518 0.000 0.980 558 V HN 0.587 nan 8.190 nan 0.000 0.481 559 F N 6.501 126.350 119.950 -0.169 0.000 2.420 559 F HA 0.583 5.110 4.527 0.000 0.000 0.352 559 F C 0.447 176.190 175.800 -0.095 0.000 1.108 559 F CA -0.186 57.743 58.000 -0.118 0.000 1.162 559 F CB 0.298 39.237 39.000 -0.102 0.000 1.118 559 F HN 0.423 nan 8.300 nan 0.000 0.510 560 R N 6.490 126.488 120.500 -0.837 0.000 2.673 560 R HA 0.535 4.876 4.340 0.000 0.000 0.281 560 R C -1.640 174.236 176.300 -0.707 0.000 0.991 560 R CA -1.075 54.682 56.100 -0.573 0.000 0.896 560 R CB 2.180 32.318 30.300 -0.271 0.000 1.201 560 R HN 0.674 nan 8.270 nan 0.000 0.457 561 L N 4.023 125.022 121.223 -0.373 0.000 2.301 561 L HA 0.433 4.773 4.340 0.000 0.000 0.278 561 L C -0.183 176.681 176.870 -0.010 0.000 1.022 561 L CA -0.241 54.451 54.840 -0.246 0.000 0.854 561 L CB 0.465 42.532 42.059 0.014 0.000 1.226 561 L HN 0.834 nan 8.230 nan 0.000 0.429 562 N N -0.248 118.378 118.700 -0.124 0.000 3.522 562 N HA 0.156 4.896 4.740 0.000 0.000 0.328 562 N C 0.174 175.393 175.510 -0.486 0.000 1.623 562 N CA -0.903 51.987 53.050 -0.266 0.000 0.812 562 N CB 0.565 38.986 38.487 -0.110 0.000 2.008 562 N HN 0.272 nan 8.380 nan 0.000 0.601 563 W N 0.958 121.660 121.300 -0.997 0.000 2.335 563 W HA 0.007 4.667 4.660 0.000 0.000 0.311 563 W C 2.421 178.886 176.519 -0.090 0.000 1.213 563 W CA 2.707 59.711 57.345 -0.568 0.000 1.274 563 W CB -0.911 28.347 29.460 -0.337 0.000 1.148 563 W HN 0.711 nan 8.180 nan 0.000 0.498 564 A N -0.569 122.238 122.820 -0.021 0.000 1.940 564 A HA -0.239 4.082 4.320 0.000 0.000 0.219 564 A C 1.945 179.425 177.584 -0.173 0.000 1.176 564 A CA 2.647 54.605 52.037 -0.130 0.000 0.631 564 A CB -1.341 17.662 19.000 0.004 0.000 0.814 564 A HN 0.314 nan 8.150 nan 0.000 0.446 565 T N -1.370 113.093 114.554 -0.151 0.000 2.720 565 T HA -0.210 4.140 4.350 0.000 0.000 0.268 565 T C 1.771 176.478 174.700 0.012 0.000 1.037 565 T CA 1.748 63.729 62.100 -0.199 0.000 1.144 565 T CB -0.472 68.105 68.868 -0.485 0.000 0.864 565 T HN 0.737 nan 8.240 nan 0.000 0.444 566 Y N 1.646 122.009 120.300 0.103 0.000 2.220 566 Y HA 0.058 4.608 4.550 0.000 0.000 0.291 566 Y C 1.971 177.862 175.900 -0.015 0.000 1.129 566 Y CA 0.871 59.086 58.100 0.193 0.000 1.161 566 Y CB -0.517 38.055 38.460 0.186 0.000 0.997 566 Y HN 0.075 nan 8.280 nan 0.000 0.522 567 L N 0.443 121.228 121.223 -0.729 0.000 2.127 567 L HA -0.203 4.137 4.340 0.000 0.000 0.211 567 L C 2.761 179.376 176.870 -0.425 0.000 1.089 567 L CA 1.264 55.617 54.840 -0.812 0.000 0.757 567 L CB -0.792 40.831 42.059 -0.726 0.000 0.899 567 L HN 0.466 nan 8.230 nan 0.000 0.434 568 A N -1.495 121.159 122.820 -0.276 0.000 1.943 568 A HA -0.117 4.203 4.320 0.000 0.000 0.213 568 A C 2.479 179.997 177.584 -0.110 0.000 1.181 568 A CA 1.357 53.293 52.037 -0.168 0.000 0.653 568 A CB -0.326 18.573 19.000 -0.168 0.000 0.833 568 A HN 0.304 nan 8.150 nan 0.000 0.451 569 S N -1.129 114.522 115.700 -0.082 0.000 2.387 569 S HA -0.079 4.391 4.470 0.000 0.000 0.226 569 S C 1.857 176.475 174.600 0.030 0.000 1.026 569 S CA 2.150 60.352 58.200 0.004 0.000 0.972 569 S CB -0.216 63.049 63.200 0.107 0.000 0.814 569 S HN 0.544 nan 8.310 nan 0.000 0.477 570 T N 0.954 115.494 114.554 -0.024 0.000 3.045 570 T HA 0.209 4.559 4.350 0.000 0.000 0.239 570 T C 1.274 175.946 174.700 -0.047 0.000 1.008 570 T CA 0.287 62.394 62.100 0.012 0.000 1.143 570 T CB -0.062 68.884 68.868 0.130 0.000 0.894 570 T HN 0.256 nan 8.240 nan 0.000 0.451 571 E N 1.487 121.569 120.200 -0.197 0.000 2.489 571 E HA 0.147 4.498 4.350 0.000 0.000 0.193 571 E C -0.031 176.563 176.600 -0.011 0.000 1.057 571 E CA -0.042 56.292 56.400 -0.110 0.000 0.866 571 E CB -0.356 29.219 29.700 -0.209 0.000 0.916 571 E HN 0.407 nan 8.360 nan 0.000 0.500 572 N N 0.514 119.217 118.700 0.005 0.000 2.727 572 N HA -0.192 4.548 4.740 0.000 0.000 0.249 572 N C -0.933 174.678 175.510 0.168 0.000 1.048 572 N CA 0.480 53.606 53.050 0.126 0.000 0.714 572 N CB -1.335 37.276 38.487 0.206 0.000 0.959 572 N HN 0.254 nan 8.380 nan 0.000 0.544 573 I N 0.598 121.193 120.570 0.042 0.000 2.359 573 I HA 0.312 4.482 4.170 0.000 0.000 0.294 573 I C 0.659 176.773 176.117 -0.005 0.000 0.987 573 I CA -0.799 60.543 61.300 0.070 0.000 1.225 573 I CB 1.140 39.181 38.000 0.069 0.000 1.366 573 I HN 0.017 nan 8.210 nan 0.000 0.466 574 I N 6.620 127.198 120.570 0.013 0.000 2.416 574 I HA 0.132 4.302 4.170 0.000 0.000 0.288 574 I C -0.312 175.791 176.117 -0.024 0.000 1.051 574 I CA -0.330 60.927 61.300 -0.070 0.000 1.375 574 I CB 0.986 38.945 38.000 -0.069 0.000 1.407 574 I HN 0.229 nan 8.210 nan 0.000 0.516 575 V N 6.997 126.879 119.914 -0.053 0.000 2.328 575 V HA 0.598 4.718 4.120 0.000 0.000 0.278 575 V C 0.405 176.510 176.094 0.018 0.000 1.021 575 V CA -0.410 61.901 62.300 0.019 0.000 0.838 575 V CB 1.047 32.876 31.823 0.010 0.000 0.999 575 V HN 0.846 nan 8.190 nan 0.000 0.447 576 A N 4.072 126.923 122.820 0.053 0.000 2.322 576 A HA 0.978 5.298 4.320 0.000 0.000 0.327 576 A C -0.177 177.525 177.584 0.197 0.000 1.134 576 A CA -0.554 51.505 52.037 0.038 0.000 0.831 576 A CB 1.798 20.660 19.000 -0.229 0.000 1.288 576 A HN 0.691 nan 8.150 nan 0.000 0.472 577 S N -0.676 115.195 115.700 0.284 0.000 2.541 577 S HA 0.693 5.163 4.470 0.000 0.000 0.271 577 S C -1.633 173.312 174.600 0.575 0.000 1.133 577 S CA -0.308 58.118 58.200 0.376 0.000 0.876 577 S CB 1.322 64.693 63.200 0.285 0.000 1.105 577 S HN 0.814 nan 8.310 nan 0.000 0.470 578 F N 1.870 122.044 119.950 0.374 0.000 2.569 578 F HA 0.511 5.038 4.527 0.000 0.000 0.312 578 F C -1.502 174.506 175.800 0.348 0.000 1.109 578 F CA -0.856 57.395 58.000 0.418 0.000 0.919 578 F CB 1.541 40.772 39.000 0.385 0.000 1.211 578 F HN 0.408 nan 8.300 nan 0.000 0.446 579 D N 4.393 124.640 120.400 -0.255 0.000 2.454 579 D HA 0.376 5.017 4.640 0.000 0.000 0.225 579 D C 0.333 176.336 176.300 -0.495 0.000 1.081 579 D CA 0.108 54.004 54.000 -0.173 0.000 0.864 579 D CB 1.497 42.345 40.800 0.080 0.000 1.040 579 D HN 0.767 nan 8.370 nan 0.000 0.517 580 G N 1.360 109.939 108.800 -0.367 0.000 2.695 580 G HA2 0.305 4.265 3.960 0.000 0.000 0.213 580 G HA3 0.305 4.265 3.960 0.000 0.000 0.213 580 G C 0.190 175.158 174.900 0.114 0.000 1.406 580 G CA -0.684 44.243 45.100 -0.289 0.000 1.049 580 G HN 0.283 nan 8.290 nan 0.000 0.573 581 R N -0.825 119.741 120.500 0.111 0.000 2.679 581 R HA 0.368 4.708 4.340 0.000 0.000 0.268 581 R C 1.275 177.685 176.300 0.184 0.000 1.044 581 R CA 1.397 57.640 56.100 0.238 0.000 1.105 581 R CB 0.429 30.846 30.300 0.196 0.000 0.989 581 R HN 1.070 nan 8.270 nan 0.000 0.447 582 G N 0.860 109.759 108.800 0.165 0.000 2.217 582 G HA2 -0.336 3.624 3.960 0.000 0.000 0.246 582 G HA3 -0.336 3.624 3.960 0.000 0.000 0.246 582 G C 0.179 175.115 174.900 0.061 0.000 0.990 582 G CA 0.275 45.447 45.100 0.119 0.000 0.627 582 G HN 0.737 nan 8.290 nan 0.000 0.522 583 S N 0.164 115.911 115.700 0.079 0.000 2.600 583 S HA 0.687 5.157 4.470 0.000 0.000 0.265 583 S C 0.840 175.435 174.600 -0.008 0.000 1.325 583 S CA 0.517 58.755 58.200 0.063 0.000 1.002 583 S CB 1.819 65.083 63.200 0.108 0.000 0.921 583 S HN 1.676 nan 8.310 nan 0.000 0.554 584 G N -1.078 107.684 108.800 -0.063 0.000 2.705 584 G HA2 0.510 4.470 3.960 0.000 0.000 0.299 584 G HA3 0.510 4.470 3.960 0.000 0.000 0.299 584 G C -1.049 173.716 174.900 -0.226 0.000 1.315 584 G CA -1.073 43.836 45.100 -0.320 0.000 1.045 584 G HN 0.937 nan 8.290 nan 0.000 0.517 585 Y N -2.134 118.169 120.300 0.005 0.000 4.409 585 Y HA -0.219 4.331 4.550 0.000 0.000 0.228 585 Y C 1.338 177.245 175.900 0.011 0.000 1.108 585 Y CA 1.117 59.223 58.100 0.011 0.000 1.955 585 Y CB -2.233 36.250 38.460 0.039 0.000 1.615 585 Y HN 0.543 nan 8.280 nan 0.000 0.665 586 Q N -0.260 119.551 119.800 0.019 0.000 2.057 586 Q HA 0.497 4.837 4.340 0.000 0.000 0.216 586 Q C 0.887 176.771 176.000 -0.193 0.000 0.788 586 Q CA 0.166 55.990 55.803 0.036 0.000 1.053 586 Q CB 1.729 30.482 28.738 0.025 0.000 1.210 586 Q HN 0.601 nan 8.270 nan 0.000 0.455 587 G N 0.938 109.495 108.800 -0.406 0.000 2.692 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 587 G C -0.387 174.135 174.900 -0.629 0.000 1.243 587 G CA -0.506 44.083 45.100 -0.851 0.000 0.782 587 G HN 0.124 nan 8.290 nan 0.000 0.625 588 D N 0.278 120.259 120.400 -0.699 0.000 2.263 588 D HA -0.088 4.552 4.640 0.000 0.000 0.208 588 D C 2.121 178.131 176.300 -0.483 0.000 0.971 588 D CA 1.272 54.799 54.000 -0.788 0.000 0.867 588 D CB 0.103 40.258 40.800 -1.075 0.000 0.929 588 D HN 0.642 nan 8.370 nan 0.000 0.492 589 K N 0.586 120.761 120.400 -0.375 0.000 2.147 589 K HA -0.106 4.214 4.320 0.000 0.000 0.205 589 K C 2.024 178.552 176.600 -0.121 0.000 1.049 589 K CA 0.781 56.947 56.287 -0.202 0.000 0.936 589 K CB 0.063 32.455 32.500 -0.179 0.000 0.722 589 K HN 0.104 nan 8.250 nan 0.000 0.446 590 I N 0.053 120.532 120.570 -0.153 0.000 2.385 590 I HA -0.167 4.003 4.170 0.000 0.000 0.244 590 I C 2.554 178.670 176.117 -0.003 0.000 1.089 590 I CA 0.546 61.826 61.300 -0.033 0.000 1.410 590 I CB -0.090 37.880 38.000 -0.050 0.000 1.117 590 I HN 0.222 nan 8.210 nan 0.000 0.429 591 M N 0.230 119.763 119.600 -0.112 0.000 2.080 591 M HA -0.271 4.209 4.480 0.000 0.000 0.260 591 M C 2.062 178.419 176.300 0.096 0.000 1.068 591 M CA 2.069 57.336 55.300 -0.055 0.000 1.109 591 M CB -0.368 32.105 32.600 -0.212 0.000 1.342 591 M HN 0.280 nan 8.290 nan 0.000 0.405 592 H N -0.830 118.138 119.070 -0.171 0.000 2.556 592 H HA 0.105 4.661 4.556 0.000 0.000 0.268 592 H C 1.911 177.261 175.328 0.037 0.000 0.996 592 H CA 0.151 56.105 56.048 -0.158 0.000 1.157 592 H CB 0.099 29.683 29.762 -0.296 0.000 1.355 592 H HN 0.542 nan 8.280 nan 0.000 0.597 593 A N 1.685 124.621 122.820 0.194 0.000 2.032 593 A HA -0.183 4.137 4.320 0.000 0.000 0.221 593 A C 1.773 179.575 177.584 0.363 0.000 1.165 593 A CA 1.460 53.647 52.037 0.251 0.000 0.645 593 A CB -0.547 18.584 19.000 0.218 0.000 0.807 593 A HN 0.435 nan 8.150 nan 0.000 0.453 594 I N -2.366 118.377 120.570 0.288 0.000 3.874 594 I HA 0.274 4.445 4.170 0.000 0.000 0.331 594 I C -0.030 176.178 176.117 0.152 0.000 1.489 594 I CA -1.424 59.991 61.300 0.191 0.000 1.187 594 I CB -1.260 36.829 38.000 0.150 0.000 1.150 594 I HN 0.109 nan 8.210 nan 0.000 0.412 595 N N 2.272 121.087 118.700 0.192 0.000 2.468 595 N HA 0.149 4.889 4.740 0.000 0.000 0.265 595 N C 0.591 176.130 175.510 0.048 0.000 1.199 595 N CA 0.127 53.290 53.050 0.189 0.000 0.928 595 N CB 0.224 38.775 38.487 0.105 0.000 1.059 595 N HN 0.304 nan 8.380 nan 0.000 0.467 596 R N 0.370 120.887 120.500 0.029 0.000 4.000 596 R HA -0.218 4.122 4.340 0.000 0.000 0.362 596 R C -0.222 175.991 176.300 -0.145 0.000 1.183 596 R CA 0.804 56.887 56.100 -0.029 0.000 1.011 596 R CB -1.063 29.225 30.300 -0.019 0.000 1.501 596 R HN 0.491 nan 8.270 nan 0.000 0.553 597 R N 0.380 120.778 120.500 -0.170 0.000 2.668 597 R HA 0.261 4.601 4.340 0.000 0.000 0.435 597 R C -0.811 175.496 176.300 0.012 0.000 1.059 597 R CA -0.492 55.367 56.100 -0.402 0.000 1.073 597 R CB 0.463 30.493 30.300 -0.450 0.000 1.401 597 R HN -0.063 nan 8.270 nan 0.000 0.590 598 L N 0.028 121.334 121.223 0.138 0.000 2.543 598 L HA 0.154 4.494 4.340 0.000 0.000 0.285 598 L C 1.511 178.595 176.870 0.358 0.000 1.236 598 L CA 1.911 56.832 54.840 0.135 0.000 0.871 598 L CB 0.298 42.194 42.059 -0.271 0.000 1.121 598 L HN 0.674 nan 8.230 nan 0.000 0.501 599 G N 0.876 109.898 108.800 0.370 0.000 2.137 599 G HA2 -0.289 3.671 3.960 0.000 0.000 0.237 599 G HA3 -0.289 3.671 3.960 0.000 0.000 0.237 599 G C 0.530 175.502 174.900 0.119 0.000 1.002 599 G CA 0.988 46.249 45.100 0.268 0.000 0.702 599 G HN 0.959 nan 8.290 nan 0.000 0.515 600 T N -3.675 110.915 114.554 0.060 0.000 3.257 600 T HA 0.418 4.768 4.350 0.000 0.000 0.176 600 T C 1.759 176.477 174.700 0.029 0.000 0.892 600 T CA 0.747 62.804 62.100 -0.072 0.000 1.147 600 T CB -0.081 68.554 68.868 -0.388 0.000 1.840 600 T HN 0.138 nan 8.240 nan 0.000 0.375 601 F N 3.132 123.126 119.950 0.074 0.000 2.161 601 F HA -0.053 4.474 4.527 0.000 0.000 0.300 601 F C 3.023 178.863 175.800 0.066 0.000 1.089 601 F CA 1.192 59.226 58.000 0.058 0.000 1.282 601 F CB -0.196 38.838 39.000 0.056 0.000 1.010 601 F HN 0.476 nan 8.300 nan 0.000 0.485 602 E N 0.933 121.293 120.200 0.268 0.000 2.106 602 E HA -0.144 4.206 4.350 0.000 0.000 0.192 602 E C 2.129 178.840 176.600 0.184 0.000 0.984 602 E CA 1.499 58.027 56.400 0.214 0.000 0.806 602 E CB -0.937 28.896 29.700 0.222 0.000 0.750 602 E HN 0.317 nan 8.360 nan 0.000 0.458 603 V N 1.838 121.838 119.914 0.142 0.000 2.379 603 V HA -0.200 3.920 4.120 0.000 0.000 0.245 603 V C 2.339 178.485 176.094 0.087 0.000 1.044 603 V CA 2.075 64.419 62.300 0.072 0.000 1.036 603 V CB -0.505 31.314 31.823 -0.006 0.000 0.664 603 V HN 0.241 nan 8.190 nan 0.000 0.453 604 E N 0.153 120.424 120.200 0.118 0.000 2.031 604 E HA -0.239 4.112 4.350 0.000 0.000 0.193 604 E C 1.941 178.594 176.600 0.088 0.000 0.994 604 E CA 1.526 57.991 56.400 0.109 0.000 0.800 604 E CB -0.270 29.528 29.700 0.163 0.000 0.752 604 E HN 0.557 nan 8.360 nan 0.000 0.447 605 D N 0.637 121.105 120.400 0.113 0.000 2.182 605 D HA -0.156 4.484 4.640 0.000 0.000 0.201 605 D C 2.012 178.397 176.300 0.143 0.000 0.986 605 D CA 0.881 54.947 54.000 0.110 0.000 0.847 605 D CB -0.141 40.747 40.800 0.147 0.000 0.942 605 D HN 0.150 nan 8.370 nan 0.000 0.467 606 Q N 0.095 120.015 119.800 0.200 0.000 2.083 606 Q HA -0.016 4.324 4.340 0.000 0.000 0.198 606 Q C 2.633 178.720 176.000 0.145 0.000 0.969 606 Q CA 0.440 56.374 55.803 0.218 0.000 0.838 606 Q CB -0.106 28.762 28.738 0.218 0.000 0.900 606 Q HN 0.420 nan 8.270 nan 0.000 0.436 607 I N 0.889 121.547 120.570 0.146 0.000 2.142 607 I HA -0.280 3.891 4.170 0.000 0.000 0.240 607 I C 2.418 178.523 176.117 -0.020 0.000 1.078 607 I CA 1.397 62.804 61.300 0.178 0.000 1.343 607 I CB -0.264 37.819 38.000 0.138 0.000 1.046 607 I HN 0.173 nan 8.210 nan 0.000 0.405 608 E N 1.432 121.575 120.200 -0.094 0.000 2.153 608 E HA -0.201 4.150 4.350 0.000 0.000 0.194 608 E C 1.988 178.332 176.600 -0.426 0.000 0.988 608 E CA 1.561 57.836 56.400 -0.209 0.000 0.811 608 E CB -0.098 29.497 29.700 -0.175 0.000 0.746 608 E HN 0.444 nan 8.360 nan 0.000 0.466 609 A N 0.715 123.197 122.820 -0.563 0.000 1.873 609 A HA 0.057 4.377 4.320 0.000 0.000 0.215 609 A C 2.463 179.444 177.584 -1.005 0.000 1.186 609 A CA 1.856 53.251 52.037 -1.072 0.000 0.616 609 A CB -1.062 17.240 19.000 -1.164 0.000 0.823 609 A HN 0.388 nan 8.150 nan 0.000 0.442 610 A N -0.206 122.395 122.820 -0.365 0.000 1.877 610 A HA -0.191 4.129 4.320 0.000 0.000 0.216 610 A C 2.248 179.649 177.584 -0.305 0.000 1.186 610 A CA 1.841 53.781 52.037 -0.163 0.000 0.620 610 A CB -0.589 18.327 19.000 -0.140 0.000 0.822 610 A HN 0.546 nan 8.150 nan 0.000 0.443 611 R N -0.511 119.803 120.500 -0.311 0.000 2.133 611 R HA -0.227 4.113 4.340 0.000 0.000 0.247 611 R C 2.276 178.404 176.300 -0.287 0.000 1.151 611 R CA 2.103 58.044 56.100 -0.266 0.000 0.971 611 R CB -0.277 29.897 30.300 -0.210 0.000 0.866 611 R HN 0.708 nan 8.270 nan 0.000 0.447 612 Q N -1.131 118.415 119.800 -0.424 0.000 2.187 612 Q HA -0.082 4.259 4.340 0.000 0.000 0.199 612 Q C 1.748 177.545 176.000 -0.338 0.000 0.957 612 Q CA 0.937 56.496 55.803 -0.408 0.000 0.857 612 Q CB 0.121 28.554 28.738 -0.509 0.000 0.929 612 Q HN 0.316 nan 8.270 nan 0.000 0.453 613 F N 0.481 120.263 119.950 -0.280 0.000 2.259 613 F HA -0.122 4.405 4.527 0.000 0.000 0.298 613 F C 2.644 178.274 175.800 -0.283 0.000 1.088 613 F CA 1.181 59.005 58.000 -0.293 0.000 1.358 613 F CB -0.830 38.022 39.000 -0.246 0.000 1.040 613 F HN 0.048 nan 8.300 nan 0.000 0.505 614 S N -0.351 115.301 115.700 -0.079 0.000 2.447 614 S HA -0.133 4.337 4.470 0.000 0.000 0.233 614 S C 1.678 176.190 174.600 -0.148 0.000 1.006 614 S CA 0.736 58.859 58.200 -0.127 0.000 0.957 614 S CB -0.490 62.616 63.200 -0.156 0.000 0.773 614 S HN 0.382 nan 8.310 nan 0.000 0.507 615 K N 0.152 120.458 120.400 -0.157 0.000 2.426 615 K HA 0.304 4.624 4.320 0.000 0.000 0.193 615 K C 0.317 176.817 176.600 -0.167 0.000 1.028 615 K CA 0.083 56.282 56.287 -0.146 0.000 1.047 615 K CB -0.037 32.381 32.500 -0.136 0.000 0.821 615 K HN 0.462 nan 8.250 nan 0.000 0.513 616 M N -0.618 118.839 119.600 -0.239 0.000 2.255 616 M HA 0.094 4.574 4.480 0.000 0.000 0.336 616 M C 1.579 177.646 176.300 -0.388 0.000 1.135 616 M CA -0.126 54.954 55.300 -0.366 0.000 1.145 616 M CB 1.124 33.333 32.600 -0.652 0.000 1.473 616 M HN 0.135 nan 8.290 nan 0.000 0.462 617 G N 1.401 110.027 108.800 -0.290 0.000 2.432 617 G HA2 -0.188 3.772 3.960 0.000 0.000 0.219 617 G HA3 -0.188 3.772 3.960 0.000 0.000 0.219 617 G C 0.834 175.700 174.900 -0.058 0.000 1.135 617 G CA 0.741 45.769 45.100 -0.121 0.000 0.767 617 G HN 0.783 nan 8.290 nan 0.000 0.550 618 F N 0.096 120.106 119.950 0.101 0.000 2.732 618 F HA 0.576 5.103 4.527 0.000 0.000 0.303 618 F C -0.052 175.872 175.800 0.205 0.000 1.110 618 F CA -1.267 56.838 58.000 0.176 0.000 1.355 618 F CB -0.329 38.848 39.000 0.296 0.000 1.081 618 F HN -0.178 nan 8.300 nan 0.000 0.565 619 V N 1.380 121.254 119.914 -0.068 0.000 2.435 619 V HA 0.206 4.326 4.120 0.000 0.000 0.290 619 V C -0.702 175.362 176.094 -0.050 0.000 1.030 619 V CA -0.847 61.445 62.300 -0.014 0.000 0.881 619 V CB 1.592 33.342 31.823 -0.121 0.000 0.983 619 V HN 0.046 nan 8.190 nan 0.000 0.445 620 D N 3.421 123.791 120.400 -0.050 0.000 2.441 620 D HA 0.094 4.734 4.640 0.000 0.000 0.221 620 D C 1.182 177.411 176.300 -0.119 0.000 1.156 620 D CA -0.398 53.544 54.000 -0.096 0.000 0.896 620 D CB 0.527 41.251 40.800 -0.126 0.000 1.028 620 D HN 0.667 nan 8.370 nan 0.000 0.509 621 N N 2.932 121.567 118.700 -0.108 0.000 2.588 621 N HA -0.191 4.549 4.740 0.000 0.000 0.190 621 N C 0.802 176.249 175.510 -0.105 0.000 1.094 621 N CA 1.011 53.991 53.050 -0.116 0.000 0.921 621 N CB -0.050 38.370 38.487 -0.112 0.000 0.959 621 N HN 0.316 nan 8.380 nan 0.000 0.448 622 K N -0.699 119.643 120.400 -0.097 0.000 2.393 622 K HA 0.177 4.497 4.320 0.000 0.000 0.193 622 K C -0.086 176.471 176.600 -0.072 0.000 1.026 622 K CA 0.137 56.382 56.287 -0.070 0.000 1.064 622 K CB 0.386 32.851 32.500 -0.059 0.000 0.833 622 K HN 0.157 nan 8.250 nan 0.000 0.521 623 R N 1.177 121.586 120.500 -0.152 0.000 2.629 623 R HA 0.384 4.724 4.340 0.000 0.000 0.275 623 R C -1.178 174.935 176.300 -0.312 0.000 1.719 623 R CA -0.073 55.855 56.100 -0.287 0.000 1.472 623 R CB 0.841 30.781 30.300 -0.601 0.000 1.237 623 R HN -0.030 nan 8.270 nan 0.000 0.589 624 I N 1.530 122.117 120.570 0.028 0.000 2.468 624 I HA 0.541 4.712 4.170 0.000 0.000 0.285 624 I C -0.133 176.266 176.117 0.470 0.000 1.039 624 I CA -0.739 60.652 61.300 0.153 0.000 1.074 624 I CB 1.956 39.911 38.000 -0.075 0.000 1.228 624 I HN 0.470 nan 8.210 nan 0.000 0.436 625 A N 6.901 130.127 122.820 0.676 0.000 2.452 625 A HA 0.955 5.275 4.320 0.000 0.000 0.285 625 A C -0.848 177.111 177.584 0.624 0.000 1.209 625 A CA -0.681 51.726 52.037 0.617 0.000 0.940 625 A CB 1.892 21.130 19.000 0.397 0.000 1.440 625 A HN 0.714 nan 8.150 nan 0.000 0.480 626 I N -0.587 120.254 120.570 0.453 0.000 2.753 626 I HA 0.551 4.721 4.170 0.000 0.000 0.291 626 I C -2.235 174.141 176.117 0.432 0.000 1.425 626 I CA -0.502 61.004 61.300 0.343 0.000 1.039 626 I CB 1.612 39.547 38.000 -0.109 0.000 1.349 626 I HN 0.971 nan 8.210 nan 0.000 0.430 627 W N 7.017 128.441 121.300 0.206 0.000 3.213 627 W HA 0.848 5.509 4.660 0.000 0.000 0.318 627 W C -1.452 175.212 176.519 0.241 0.000 1.248 627 W CA -0.914 56.561 57.345 0.215 0.000 1.187 627 W CB 1.045 30.680 29.460 0.291 0.000 1.403 627 W HN 0.832 nan 8.180 nan 0.000 0.556 628 G N 0.839 109.607 108.800 -0.052 0.000 2.623 628 G HA2 0.529 4.490 3.960 0.000 0.000 0.290 628 G HA3 0.529 4.490 3.960 0.000 0.000 0.290 628 G C -2.766 172.120 174.900 -0.023 0.000 1.437 628 G CA -0.709 44.234 45.100 -0.262 0.000 0.798 628 G HN 0.588 nan 8.290 nan 0.000 0.488 629 W N 0.925 122.149 121.300 -0.126 0.000 2.736 629 W HA 0.555 5.215 4.660 0.000 0.000 0.335 629 W C 0.774 177.359 176.519 0.111 0.000 1.059 629 W CA 0.336 57.675 57.345 -0.009 0.000 1.226 629 W CB 1.607 31.048 29.460 -0.032 0.000 1.416 629 W HN 1.053 nan 8.180 nan 0.000 0.505 630 S N 2.034 117.996 115.700 0.437 0.000 4.140 630 S HA -0.433 4.037 4.470 0.000 0.000 0.618 630 S C 0.835 175.542 174.600 0.178 0.000 1.896 630 S CA 1.658 60.097 58.200 0.398 0.000 4.240 630 S CB -1.533 62.039 63.200 0.620 0.000 0.208 630 S HN 0.743 nan 8.310 nan 0.000 0.487 631 Y N 3.220 123.543 120.300 0.039 0.000 2.224 631 Y HA 0.023 4.573 4.550 0.000 0.000 0.289 631 Y C 2.456 178.303 175.900 -0.089 0.000 1.146 631 Y CA 2.207 60.239 58.100 -0.113 0.000 1.182 631 Y CB -1.014 37.196 38.460 -0.416 0.000 0.983 631 Y HN 0.540 nan 8.280 nan 0.000 0.524 632 G N -0.887 107.969 108.800 0.093 0.000 2.422 632 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 632 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 632 G C 1.923 176.864 174.900 0.068 0.000 1.146 632 G CA 0.763 45.927 45.100 0.107 0.000 0.769 632 G HN 0.578 nan 8.290 nan 0.000 0.547 633 G N -0.199 108.647 108.800 0.077 0.000 2.418 633 G HA2 -0.236 3.725 3.960 0.000 0.000 0.217 633 G HA3 -0.236 3.725 3.960 0.000 0.000 0.217 633 G C 1.537 176.454 174.900 0.029 0.000 1.158 633 G CA 1.019 46.143 45.100 0.040 0.000 0.771 633 G HN 0.490 nan 8.290 nan 0.000 0.545 634 Y N 0.962 121.151 120.300 -0.184 0.000 2.070 634 Y HA -0.200 4.350 4.550 0.000 0.000 0.280 634 Y C 2.889 178.677 175.900 -0.185 0.000 1.148 634 Y CA 1.890 59.817 58.100 -0.288 0.000 1.125 634 Y CB -0.283 37.836 38.460 -0.570 0.000 0.975 634 Y HN 0.036 nan 8.280 nan 0.000 0.492 635 V N 0.125 119.883 119.914 -0.260 0.000 2.287 635 V HA -0.368 3.752 4.120 0.000 0.000 0.248 635 V C 2.287 178.268 176.094 -0.188 0.000 1.053 635 V CA 2.474 64.627 62.300 -0.246 0.000 1.027 635 V CB -1.143 30.687 31.823 0.012 0.000 0.646 635 V HN 0.556 nan 8.190 nan 0.000 0.447 636 T N -0.346 114.156 114.554 -0.086 0.000 2.699 636 T HA -0.209 4.141 4.350 0.000 0.000 0.268 636 T C 2.118 176.773 174.700 -0.076 0.000 1.036 636 T CA 2.008 64.073 62.100 -0.059 0.000 1.147 636 T CB -0.265 68.646 68.868 0.071 0.000 0.862 636 T HN 0.509 nan 8.240 nan 0.000 0.446 637 S N 0.760 116.441 115.700 -0.032 0.000 2.371 637 S HA 0.042 4.512 4.470 0.000 0.000 0.224 637 S C 2.123 176.651 174.600 -0.120 0.000 1.029 637 S CA 0.785 58.993 58.200 0.014 0.000 0.978 637 S CB -0.227 63.023 63.200 0.085 0.000 0.833 637 S HN 0.313 nan 8.310 nan 0.000 0.466 638 M N 0.920 120.360 119.600 -0.267 0.000 2.159 638 M HA -0.017 4.463 4.480 0.000 0.000 0.263 638 M C 2.154 178.311 176.300 -0.237 0.000 1.063 638 M CA 1.017 56.145 55.300 -0.287 0.000 1.110 638 M CB -1.323 31.000 32.600 -0.462 0.000 1.374 638 M HN 0.170 nan 8.290 nan 0.000 0.411 639 V N 0.492 120.253 119.914 -0.256 0.000 2.358 639 V HA -0.225 3.895 4.120 0.000 0.000 0.246 639 V C 2.486 178.389 176.094 -0.318 0.000 1.047 639 V CA 1.286 63.429 62.300 -0.261 0.000 1.035 639 V CB -0.503 31.099 31.823 -0.368 0.000 0.658 639 V HN 0.397 nan 8.190 nan 0.000 0.452 640 L N 0.257 121.223 121.223 -0.429 0.000 2.131 640 L HA -0.057 4.283 4.340 0.000 0.000 0.210 640 L C 2.155 178.497 176.870 -0.881 0.000 1.092 640 L CA 1.534 56.004 54.840 -0.617 0.000 0.759 640 L CB -0.695 40.909 42.059 -0.759 0.000 0.903 640 L HN 0.495 nan 8.230 nan 0.000 0.435 641 G N -1.463 106.874 108.800 -0.771 0.000 3.371 641 G HA2 -0.028 3.932 3.960 0.000 0.000 0.248 641 G HA3 -0.028 3.932 3.960 0.000 0.000 0.248 641 G C 1.412 176.188 174.900 -0.206 0.000 1.161 641 G CA 0.555 45.356 45.100 -0.499 0.000 0.796 641 G HN 0.415 nan 8.290 nan 0.000 0.539 642 S N -0.693 114.893 115.700 -0.191 0.000 2.496 642 S HA 0.304 4.774 4.470 0.000 0.000 0.224 642 S C 1.902 176.468 174.600 -0.056 0.000 0.996 642 S CA 1.012 59.158 58.200 -0.090 0.000 0.927 642 S CB -0.090 63.073 63.200 -0.062 0.000 0.774 642 S HN 1.361 nan 8.310 nan 0.000 0.524 643 G N 1.392 110.147 108.800 -0.075 0.000 2.160 643 G HA2 -0.322 3.638 3.960 0.000 0.000 0.251 643 G HA3 -0.322 3.638 3.960 0.000 0.000 0.251 643 G C 0.871 175.765 174.900 -0.011 0.000 1.008 643 G CA 0.833 45.910 45.100 -0.039 0.000 0.724 643 G HN 1.293 nan 8.290 nan 0.000 0.514 644 S N -0.975 114.730 115.700 0.009 0.000 2.461 644 S HA 0.349 4.819 4.470 0.000 0.000 0.228 644 S C 2.460 177.067 174.600 0.012 0.000 1.005 644 S CA 1.488 59.702 58.200 0.023 0.000 0.942 644 S CB -0.039 63.199 63.200 0.064 0.000 0.776 644 S HN 2.360 nan 8.310 nan 0.000 0.514 645 G N 0.346 109.160 108.800 0.024 0.000 2.189 645 G HA2 -0.295 3.665 3.960 0.000 0.000 0.267 645 G HA3 -0.295 3.665 3.960 0.000 0.000 0.267 645 G C 0.746 175.634 174.900 -0.020 0.000 0.975 645 G CA 0.430 45.535 45.100 0.008 0.000 0.644 645 G HN 0.702 nan 8.290 nan 0.000 0.537 646 V N -0.701 119.187 119.914 -0.042 0.000 2.719 646 V HA 0.275 4.395 4.120 0.000 0.000 0.252 646 V C 1.056 176.892 176.094 -0.430 0.000 1.065 646 V CA 1.371 63.511 62.300 -0.266 0.000 1.086 646 V CB -0.362 31.204 31.823 -0.429 0.000 0.700 646 V HN 0.322 nan 8.190 nan 0.000 0.467 647 F N -0.292 119.672 119.950 0.022 0.000 2.469 647 F HA 0.419 4.946 4.527 0.000 0.000 0.332 647 F C 1.018 176.862 175.800 0.074 0.000 1.103 647 F CA -0.684 57.356 58.000 0.067 0.000 0.979 647 F CB 1.733 40.777 39.000 0.073 0.000 1.137 647 F HN -0.282 nan 8.300 nan 0.000 0.463 648 K N 1.613 122.180 120.400 0.277 0.000 2.137 648 K HA 0.122 4.442 4.320 0.000 0.000 0.202 648 K C -0.143 176.600 176.600 0.238 0.000 1.052 648 K CA 0.868 57.283 56.287 0.214 0.000 0.961 648 K CB 0.269 32.889 32.500 0.200 0.000 0.741 648 K HN 0.770 nan 8.250 nan 0.000 0.452 649 c N -2.054 116.730 118.600 0.308 0.000 3.239 649 c HA 0.894 5.464 4.570 0.000 0.000 0.317 649 c C -0.208 174.117 174.090 0.391 0.000 1.310 649 c CA -0.693 55.835 56.329 0.331 0.000 1.371 649 c CB 1.103 43.739 42.510 0.210 0.000 1.714 649 c HN 0.335 nan 8.230 nan 0.000 0.473 650 G N 0.367 109.446 108.800 0.465 0.000 2.704 650 G HA2 0.756 4.716 3.960 0.000 0.000 0.293 650 G HA3 0.756 4.716 3.960 0.000 0.000 0.293 650 G C -1.858 173.271 174.900 0.383 0.000 1.421 650 G CA -0.720 44.621 45.100 0.401 0.000 0.870 650 G HN 0.973 nan 8.290 nan 0.000 0.492 651 I N 0.883 121.642 120.570 0.316 0.000 2.466 651 I HA 0.582 4.752 4.170 0.000 0.000 0.289 651 I C 0.042 176.272 176.117 0.189 0.000 1.026 651 I CA -0.960 60.410 61.300 0.116 0.000 1.078 651 I CB 2.207 40.256 38.000 0.081 0.000 1.249 651 I HN 0.615 nan 8.210 nan 0.000 0.429 652 A N 6.698 129.515 122.820 -0.005 0.000 2.291 652 A HA 0.732 5.052 4.320 0.000 0.000 0.311 652 A C -0.761 176.720 177.584 -0.171 0.000 1.224 652 A CA -0.483 51.557 52.037 0.006 0.000 0.821 652 A CB 1.072 20.132 19.000 0.100 0.000 1.172 652 A HN 0.434 nan 8.150 nan 0.000 0.494 653 V N 2.335 122.103 119.914 -0.243 0.000 2.370 653 V HA 0.544 4.664 4.120 0.000 0.000 0.283 653 V C 0.974 176.666 176.094 -0.669 0.000 1.023 653 V CA 0.419 62.350 62.300 -0.614 0.000 0.857 653 V CB 0.658 31.762 31.823 -1.198 0.000 0.985 653 V HN 2.064 nan 8.190 nan 0.000 0.443 654 A N 5.869 128.281 122.820 -0.680 0.000 2.560 654 A HA -0.104 4.217 4.320 0.000 0.000 0.299 654 A C -1.624 175.780 177.584 -0.300 0.000 1.484 654 A CA 0.438 51.951 52.037 -0.873 0.000 0.749 654 A CB -1.572 17.101 19.000 -0.544 0.000 1.072 654 A HN 0.627 nan 8.150 nan 0.000 0.426 655 P HA 0.425 nan 4.420 nan 0.000 0.276 655 P C 0.106 177.328 177.300 -0.129 0.000 1.244 655 P CA -0.203 62.845 63.100 -0.086 0.000 0.801 655 P CB 1.268 32.949 31.700 -0.032 0.000 1.006 656 V N 1.761 121.505 119.914 -0.284 0.000 2.607 656 V HA 0.139 4.259 4.120 0.000 0.000 0.289 656 V C 1.609 177.446 176.094 -0.428 0.000 1.053 656 V CA 0.710 62.673 62.300 -0.561 0.000 0.996 656 V CB 1.027 32.119 31.823 -1.219 0.000 0.995 656 V HN 0.840 nan 8.190 nan 0.000 0.476 657 S N 3.954 119.444 115.700 -0.351 0.000 2.575 657 S HA 0.296 4.766 4.470 0.000 0.000 0.230 657 S C 0.597 175.008 174.600 -0.316 0.000 1.062 657 S CA -0.346 57.742 58.200 -0.188 0.000 0.913 657 S CB 0.342 63.507 63.200 -0.058 0.000 0.837 657 S HN 0.646 nan 8.310 nan 0.000 0.487 658 R N -0.622 119.577 120.500 -0.500 0.000 2.510 658 R HA 0.328 4.669 4.340 0.000 0.000 0.287 658 R C -0.923 175.044 176.300 -0.555 0.000 1.084 658 R CA -0.672 55.083 56.100 -0.576 0.000 0.934 658 R CB 0.622 30.426 30.300 -0.827 0.000 1.201 658 R HN 0.295 nan 8.270 nan 0.000 0.431 659 W N 2.183 123.357 121.300 -0.209 0.000 2.364 659 W HA -0.108 4.552 4.660 0.000 0.000 0.281 659 W C 1.235 177.857 176.519 0.171 0.000 1.219 659 W CA 0.785 58.091 57.345 -0.065 0.000 1.220 659 W CB 0.294 29.617 29.460 -0.229 0.000 1.127 659 W HN 0.661 nan 8.180 nan 0.000 0.556 660 E N -1.087 119.300 120.200 0.312 0.000 2.472 660 E HA -0.172 4.178 4.350 0.000 0.000 0.200 660 E C 1.222 177.980 176.600 0.264 0.000 1.046 660 E CA 0.752 57.306 56.400 0.257 0.000 0.871 660 E CB -0.347 29.399 29.700 0.077 0.000 0.806 660 E HN 0.547 nan 8.360 nan 0.000 0.533 661 Y N -1.302 119.088 120.300 0.149 0.000 2.490 661 Y HA -0.000 4.550 4.550 0.000 0.000 0.285 661 Y C 1.125 177.120 175.900 0.159 0.000 1.117 661 Y CA -0.464 57.690 58.100 0.089 0.000 1.262 661 Y CB 0.372 38.823 38.460 -0.014 0.000 1.043 661 Y HN 0.046 nan 8.280 nan 0.000 0.553 662 Y N 2.158 122.589 120.300 0.218 0.000 2.289 662 Y HA 0.048 4.598 4.550 0.000 0.000 0.332 662 Y C 0.412 176.495 175.900 0.305 0.000 1.324 662 Y CA -1.454 56.775 58.100 0.216 0.000 1.478 662 Y CB 0.560 39.175 38.460 0.258 0.000 1.378 662 Y HN 0.126 nan 8.280 nan 0.000 0.558 663 D N -0.029 119.996 120.400 -0.625 0.000 2.399 663 D HA 0.014 4.654 4.640 0.000 0.000 0.241 663 D C 0.882 177.088 176.300 -0.157 0.000 1.133 663 D CA 0.260 53.971 54.000 -0.483 0.000 0.890 663 D CB 1.338 41.636 40.800 -0.837 0.000 1.201 663 D HN 0.537 nan 8.370 nan 0.000 0.432 664 S N 1.531 117.181 115.700 -0.083 0.000 2.354 664 S HA -0.248 4.222 4.470 0.000 0.000 0.219 664 S C 2.008 176.605 174.600 -0.005 0.000 1.035 664 S CA 1.398 59.612 58.200 0.024 0.000 1.037 664 S CB -1.205 62.028 63.200 0.055 0.000 0.956 664 S HN 0.440 nan 8.310 nan 0.000 0.428 665 V N 0.755 120.602 119.914 -0.111 0.000 2.370 665 V HA -0.209 3.911 4.120 0.000 0.000 0.252 665 V C 2.338 178.316 176.094 -0.193 0.000 1.068 665 V CA 2.402 64.541 62.300 -0.269 0.000 1.061 665 V CB -1.196 30.314 31.823 -0.520 0.000 0.656 665 V HN 0.650 nan 8.190 nan 0.000 0.455 666 Y N 0.936 121.135 120.300 -0.168 0.000 2.301 666 Y HA -0.085 4.465 4.550 0.000 0.000 0.295 666 Y C 2.605 178.511 175.900 0.009 0.000 1.119 666 Y CA 1.824 59.909 58.100 -0.025 0.000 1.162 666 Y CB -0.322 38.284 38.460 0.244 0.000 1.046 666 Y HN 0.195 nan 8.280 nan 0.000 0.538 667 T N 0.268 115.024 114.554 0.336 0.000 2.732 667 T HA -0.148 4.202 4.350 0.000 0.000 0.261 667 T C 1.583 176.268 174.700 -0.025 0.000 1.040 667 T CA 1.776 64.026 62.100 0.249 0.000 1.145 667 T CB -0.261 68.877 68.868 0.450 0.000 0.866 667 T HN 0.364 nan 8.240 nan 0.000 0.427 668 E N 0.762 120.976 120.200 0.023 0.000 2.160 668 E HA -0.161 4.189 4.350 0.000 0.000 0.195 668 E C 2.355 178.846 176.600 -0.181 0.000 0.991 668 E CA 0.653 57.057 56.400 0.007 0.000 0.810 668 E CB -0.135 29.605 29.700 0.067 0.000 0.742 668 E HN 0.323 nan 8.360 nan 0.000 0.466 669 R N 0.100 120.339 120.500 -0.435 0.000 2.103 669 R HA -0.210 4.130 4.340 0.000 0.000 0.242 669 R C 1.429 177.206 176.300 -0.871 0.000 1.142 669 R CA 1.753 57.400 56.100 -0.755 0.000 0.960 669 R CB -0.077 29.432 30.300 -1.318 0.000 0.858 669 R HN 0.303 nan 8.270 nan 0.000 0.439 670 Y N -1.958 118.037 120.300 -0.507 0.000 2.522 670 Y HA 0.157 4.707 4.550 0.000 0.000 0.277 670 Y C 2.123 177.852 175.900 -0.285 0.000 1.104 670 Y CA -0.172 57.627 58.100 -0.502 0.000 1.260 670 Y CB 0.280 38.313 38.460 -0.711 0.000 1.151 670 Y HN -0.053 nan 8.280 nan 0.000 0.539 671 M N -0.307 119.195 119.600 -0.164 0.000 2.516 671 M HA 0.322 4.802 4.480 0.000 0.000 0.259 671 M C 1.179 177.517 176.300 0.064 0.000 1.146 671 M CA 1.040 56.250 55.300 -0.149 0.000 1.122 671 M CB -0.521 31.773 32.600 -0.510 0.000 1.341 671 M HN 0.392 nan 8.290 nan 0.000 0.478 672 G N 1.474 110.324 108.800 0.083 0.000 2.568 672 G HA2 -0.213 3.747 3.960 0.000 0.000 0.222 672 G HA3 -0.213 3.747 3.960 0.000 0.000 0.222 672 G C -0.662 174.377 174.900 0.231 0.000 1.321 672 G CA -0.800 44.379 45.100 0.130 0.000 0.893 672 G HN 0.315 nan 8.290 nan 0.000 0.569 673 L N 2.114 123.429 121.223 0.152 0.000 2.325 673 L HA 0.452 4.792 4.340 0.000 0.000 0.279 673 L C -1.452 175.374 176.870 -0.073 0.000 1.054 673 L CA -1.792 53.077 54.840 0.049 0.000 0.804 673 L CB 2.079 44.140 42.059 0.004 0.000 1.200 673 L HN 0.460 nan 8.230 nan 0.000 0.436 674 P HA 0.061 nan 4.420 nan 0.000 0.220 674 P C -0.381 176.744 177.300 -0.292 0.000 1.778 674 P CA -0.140 62.495 63.100 -0.775 0.000 0.912 674 P CB -0.414 30.433 31.700 -1.422 0.000 1.861 675 T N -3.126 111.350 114.554 -0.131 0.000 2.940 675 T HA 0.463 4.813 4.350 0.000 0.000 0.288 675 T C -2.137 172.549 174.700 -0.022 0.000 1.033 675 T CA -2.433 59.629 62.100 -0.064 0.000 1.033 675 T CB 1.740 70.585 68.868 -0.039 0.000 1.079 675 T HN -0.275 nan 8.240 nan 0.000 0.496 676 P HA -0.015 nan 4.420 nan 0.000 0.216 676 P C 0.964 178.274 177.300 0.016 0.000 1.150 676 P CA 0.828 63.932 63.100 0.007 0.000 0.837 676 P CB 0.113 31.815 31.700 0.003 0.000 0.786 677 E N -1.592 118.614 120.200 0.009 0.000 2.403 677 E HA -0.025 4.326 4.350 0.000 0.000 0.187 677 E C 0.818 177.430 176.600 0.019 0.000 1.073 677 E CA 0.256 56.664 56.400 0.012 0.000 0.888 677 E CB -0.388 29.315 29.700 0.005 0.000 1.035 677 E HN 0.131 nan 8.360 nan 0.000 0.471 678 D N -1.050 119.367 120.400 0.030 0.000 3.000 678 D HA 0.107 4.747 4.640 0.000 0.000 0.190 678 D C 0.210 176.558 176.300 0.081 0.000 1.503 678 D CA 0.077 54.105 54.000 0.047 0.000 1.496 678 D CB 0.035 40.861 40.800 0.044 0.000 1.163 678 D HN 0.078 nan 8.370 nan 0.000 0.231 679 N N 0.063 118.838 118.700 0.126 0.000 2.381 679 N HA 0.027 4.767 4.740 0.000 0.000 0.257 679 N C 1.004 176.699 175.510 0.308 0.000 1.409 679 N CA -0.032 53.143 53.050 0.209 0.000 0.836 679 N CB 0.934 39.571 38.487 0.250 0.000 1.384 679 N HN 0.010 nan 8.380 nan 0.000 0.490 680 L N 1.236 122.555 121.223 0.161 0.000 2.042 680 L HA -0.108 4.232 4.340 0.000 0.000 0.210 680 L C 1.438 178.415 176.870 0.179 0.000 1.076 680 L CA 2.048 56.958 54.840 0.115 0.000 0.749 680 L CB -0.434 41.630 42.059 0.008 0.000 0.893 680 L HN 0.136 nan 8.230 nan 0.000 0.432 681 D N -1.308 119.180 120.400 0.148 0.000 2.116 681 D HA -0.264 4.377 4.640 0.000 0.000 0.193 681 D C 2.118 178.524 176.300 0.177 0.000 0.998 681 D CA 1.797 55.877 54.000 0.134 0.000 0.836 681 D CB -0.236 40.629 40.800 0.109 0.000 0.951 681 D HN 0.564 nan 8.370 nan 0.000 0.449 682 H N -0.946 118.192 119.070 0.114 0.000 2.423 682 H HA -0.077 4.479 4.556 0.000 0.000 0.297 682 H C 1.683 177.079 175.328 0.113 0.000 1.075 682 H CA 1.222 57.317 56.048 0.078 0.000 1.342 682 H CB -0.344 29.431 29.762 0.021 0.000 1.395 682 H HN 0.176 nan 8.280 nan 0.000 0.530 683 Y N 0.328 120.620 120.300 -0.013 0.000 2.165 683 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 683 Y C 2.315 178.183 175.900 -0.054 0.000 1.155 683 Y CA 1.518 59.605 58.100 -0.021 0.000 1.164 683 Y CB 0.122 38.601 38.460 0.032 0.000 0.978 683 Y HN 0.121 nan 8.280 nan 0.000 0.513 684 R N -0.119 120.460 120.500 0.132 0.000 2.236 684 R HA -0.013 4.327 4.340 0.000 0.000 0.208 684 R C 0.966 177.272 176.300 0.009 0.000 1.036 684 R CA 0.583 56.714 56.100 0.051 0.000 1.001 684 R CB -0.467 29.864 30.300 0.052 0.000 0.896 684 R HN 0.443 nan 8.270 nan 0.000 0.464 685 N N 0.132 118.824 118.700 -0.014 0.000 2.254 685 N HA -0.019 4.721 4.740 0.000 0.000 0.190 685 N C 0.381 175.859 175.510 -0.054 0.000 1.107 685 N CA 0.388 53.432 53.050 -0.010 0.000 0.869 685 N CB 0.559 39.082 38.487 0.061 0.000 0.983 685 N HN 0.106 nan 8.380 nan 0.000 0.487 686 S N -0.255 115.362 115.700 -0.137 0.000 2.561 686 S HA 0.087 4.557 4.470 0.000 0.000 0.245 686 S C 0.653 175.298 174.600 0.076 0.000 1.001 686 S CA -0.704 57.468 58.200 -0.046 0.000 1.002 686 S CB -0.364 62.746 63.200 -0.151 0.000 0.805 686 S HN 0.154 nan 8.310 nan 0.000 0.458 687 T N -1.777 112.777 114.554 0.000 0.000 2.918 687 T HA 0.530 4.880 4.350 0.000 0.000 0.283 687 T C 1.277 175.969 174.700 -0.014 0.000 1.001 687 T CA -0.642 61.442 62.100 -0.028 0.000 1.041 687 T CB 1.320 70.138 68.868 -0.084 0.000 1.028 687 T HN -0.035 nan 8.240 nan 0.000 0.511 688 V N 1.414 121.312 119.914 -0.026 0.000 2.488 688 V HA -0.086 4.034 4.120 0.000 0.000 0.246 688 V C 2.622 178.681 176.094 -0.059 0.000 1.046 688 V CA 1.315 63.591 62.300 -0.040 0.000 1.053 688 V CB -0.976 30.816 31.823 -0.052 0.000 0.679 688 V HN 0.784 nan 8.190 nan 0.000 0.458 689 M N 1.488 121.043 119.600 -0.075 0.000 2.089 689 M HA -0.203 4.277 4.480 0.000 0.000 0.257 689 M C 2.427 178.698 176.300 -0.049 0.000 1.071 689 M CA 2.368 57.621 55.300 -0.079 0.000 1.096 689 M CB -1.215 31.350 32.600 -0.058 0.000 1.330 689 M HN 0.543 nan 8.290 nan 0.000 0.403 690 S N -0.190 115.492 115.700 -0.028 0.000 2.465 690 S HA -0.133 4.338 4.470 0.000 0.000 0.241 690 S C 1.747 176.352 174.600 0.008 0.000 1.000 690 S CA 0.933 59.127 58.200 -0.009 0.000 0.964 690 S CB -0.539 62.657 63.200 -0.005 0.000 0.763 690 S HN 0.575 nan 8.310 nan 0.000 0.512 691 R N 0.380 120.894 120.500 0.022 0.000 2.393 691 R HA 0.456 4.796 4.340 0.000 0.000 0.244 691 R C 2.236 178.627 176.300 0.151 0.000 0.920 691 R CA 0.404 56.547 56.100 0.072 0.000 1.076 691 R CB -0.260 30.088 30.300 0.079 0.000 1.119 691 R HN 0.466 nan 8.270 nan 0.000 0.524 692 A N 2.184 125.035 122.820 0.051 0.000 1.881 692 A HA -0.300 4.021 4.320 0.000 0.000 0.219 692 A C 1.876 179.541 177.584 0.134 0.000 1.215 692 A CA 1.818 53.853 52.037 -0.004 0.000 0.648 692 A CB -0.394 18.553 19.000 -0.089 0.000 0.832 692 A HN 0.356 nan 8.150 nan 0.000 0.455 693 E N -0.422 119.834 120.200 0.094 0.000 2.130 693 E HA -0.214 4.136 4.350 0.000 0.000 0.196 693 E C 1.529 178.203 176.600 0.123 0.000 0.998 693 E CA 1.338 57.795 56.400 0.096 0.000 0.806 693 E CB -0.346 29.390 29.700 0.059 0.000 0.738 693 E HN 0.778 nan 8.360 nan 0.000 0.459 694 N N -0.548 118.225 118.700 0.121 0.000 2.609 694 N HA -0.092 4.648 4.740 0.000 0.000 0.190 694 N C 0.528 176.043 175.510 0.008 0.000 1.157 694 N CA 0.005 53.082 53.050 0.045 0.000 0.918 694 N CB 0.066 38.541 38.487 -0.020 0.000 0.978 694 N HN 0.079 nan 8.380 nan 0.000 0.448 695 F N 0.577 120.499 119.950 -0.046 0.000 2.776 695 F HA 0.133 4.660 4.527 0.000 0.000 0.300 695 F C 2.045 177.859 175.800 0.025 0.000 1.116 695 F CA 0.191 58.163 58.000 -0.047 0.000 1.375 695 F CB 0.165 39.100 39.000 -0.108 0.000 1.109 695 F HN -0.115 nan 8.300 nan 0.000 0.585 696 K N 0.613 121.123 120.400 0.184 0.000 2.218 696 K HA -0.182 4.138 4.320 0.000 0.000 0.205 696 K C 1.117 177.785 176.600 0.113 0.000 1.046 696 K CA 1.520 57.891 56.287 0.140 0.000 0.933 696 K CB -0.068 32.492 32.500 0.099 0.000 0.728 696 K HN 0.300 nan 8.250 nan 0.000 0.454 697 Q N 0.603 120.452 119.800 0.082 0.000 2.189 697 Q HA 0.135 4.476 4.340 0.000 0.000 0.221 697 Q C -0.829 175.217 176.000 0.077 0.000 0.848 697 Q CA -0.300 55.544 55.803 0.068 0.000 1.007 697 Q CB 1.232 29.994 28.738 0.041 0.000 1.116 697 Q HN 0.207 nan 8.270 nan 0.000 0.481 698 V N -3.420 116.559 119.914 0.108 0.000 3.078 698 V HA 0.527 4.647 4.120 0.000 0.000 0.311 698 V C -1.126 175.116 176.094 0.246 0.000 1.138 698 V CA -1.248 61.136 62.300 0.139 0.000 1.007 698 V CB 2.403 34.258 31.823 0.054 0.000 1.045 698 V HN 0.037 nan 8.190 nan 0.000 0.432 699 E N 1.902 122.277 120.200 0.291 0.000 2.146 699 E HA 0.470 4.820 4.350 0.000 0.000 0.282 699 E C -1.821 175.154 176.600 0.624 0.000 0.989 699 E CA -0.373 56.272 56.400 0.409 0.000 0.799 699 E CB 1.756 31.624 29.700 0.280 0.000 1.088 699 E HN 0.697 nan 8.360 nan 0.000 0.397 700 Y N 3.481 124.050 120.300 0.449 0.000 2.393 700 Y HA 0.479 5.029 4.550 0.000 0.000 0.341 700 Y C -1.603 174.392 175.900 0.157 0.000 0.988 700 Y CA -1.511 56.799 58.100 0.349 0.000 1.078 700 Y CB 1.060 39.777 38.460 0.428 0.000 1.203 700 Y HN 0.409 nan 8.280 nan 0.000 0.453 701 L N 7.853 128.790 121.223 -0.478 0.000 2.372 701 L HA 0.564 4.904 4.340 0.000 0.000 0.274 701 L C -2.245 174.167 176.870 -0.763 0.000 0.988 701 L CA -0.822 53.584 54.840 -0.722 0.000 0.833 701 L CB 1.276 42.538 42.059 -1.328 0.000 1.236 701 L HN 0.639 nan 8.230 nan 0.000 0.410 702 L N 6.585 127.437 121.223 -0.618 0.000 2.305 702 L HA 0.697 5.038 4.340 0.000 0.000 0.284 702 L C -1.066 175.661 176.870 -0.237 0.000 1.013 702 L CA 0.016 54.544 54.840 -0.520 0.000 0.819 702 L CB 1.115 42.858 42.059 -0.526 0.000 1.227 702 L HN 0.590 nan 8.230 nan 0.000 0.417 703 I N 4.465 124.907 120.570 -0.213 0.000 2.689 703 I HA 0.531 4.701 4.170 0.000 0.000 0.299 703 I C -1.009 175.094 176.117 -0.024 0.000 1.059 703 I CA -0.750 60.486 61.300 -0.106 0.000 1.055 703 I CB 2.081 39.990 38.000 -0.153 0.000 1.243 703 I HN 0.690 nan 8.210 nan 0.000 0.425 704 H N 1.629 120.740 119.070 0.068 0.000 3.094 704 H HA 0.424 4.980 4.556 0.000 0.000 0.335 704 H C -0.666 174.912 175.328 0.417 0.000 1.254 704 H CA -0.717 55.431 56.048 0.166 0.000 1.240 704 H CB 1.799 31.570 29.762 0.014 0.000 1.936 704 H HN 0.762 nan 8.280 nan 0.000 0.536 705 G N 0.815 110.052 108.800 0.729 0.000 2.372 705 G HA2 0.255 4.215 3.960 0.000 0.000 0.283 705 G HA3 0.255 4.215 3.960 0.000 0.000 0.283 705 G C 1.151 176.321 174.900 0.450 0.000 1.177 705 G CA 0.125 45.558 45.100 0.555 0.000 0.842 705 G HN 0.725 nan 8.290 nan 0.000 0.503 706 T N -0.562 114.098 114.554 0.176 0.000 2.962 706 T HA 0.032 4.382 4.350 0.000 0.000 0.270 706 T C 1.772 176.424 174.700 -0.081 0.000 1.088 706 T CA 1.365 63.355 62.100 -0.183 0.000 1.127 706 T CB 0.113 68.817 68.868 -0.274 0.000 0.883 706 T HN 0.669 nan 8.240 nan 0.000 0.493 707 A N 0.969 123.832 122.820 0.072 0.000 2.577 707 A HA 0.298 4.618 4.320 0.000 0.000 0.280 707 A C 0.477 178.058 177.584 -0.005 0.000 1.331 707 A CA -0.467 51.623 52.037 0.088 0.000 0.935 707 A CB -0.321 18.944 19.000 0.441 0.000 1.082 707 A HN 0.392 nan 8.150 nan 0.000 0.525 708 D N 1.254 121.651 120.400 -0.004 0.000 2.344 708 D HA 0.096 4.737 4.640 0.000 0.000 0.253 708 D C 0.500 176.769 176.300 -0.053 0.000 1.255 708 D CA 0.177 54.269 54.000 0.152 0.000 0.894 708 D CB 0.781 41.830 40.800 0.414 0.000 1.067 708 D HN 0.575 nan 8.370 nan 0.000 0.492 709 D N 1.844 122.268 120.400 0.040 0.000 2.323 709 D HA -0.080 4.560 4.640 0.000 0.000 0.209 709 D C 1.261 177.583 176.300 0.037 0.000 0.973 709 D CA 0.333 54.312 54.000 -0.035 0.000 0.874 709 D CB 0.102 40.853 40.800 -0.081 0.000 0.930 709 D HN 0.390 nan 8.370 nan 0.000 0.521 710 N N -0.255 118.560 118.700 0.193 0.000 2.255 710 N HA -0.029 4.712 4.740 0.000 0.000 0.192 710 N C -0.442 175.067 175.510 -0.002 0.000 1.049 710 N CA 0.397 53.608 53.050 0.270 0.000 0.886 710 N CB 0.441 39.039 38.487 0.184 0.000 1.064 710 N HN -0.103 nan 8.380 nan 0.000 0.457 711 V N 2.378 122.223 119.914 -0.116 0.000 2.288 711 V HA 0.192 4.312 4.120 0.000 0.000 0.266 711 V C -0.843 175.295 176.094 0.073 0.000 1.048 711 V CA -0.341 61.901 62.300 -0.098 0.000 0.842 711 V CB -0.078 31.670 31.823 -0.125 0.000 1.064 711 V HN 0.335 nan 8.190 nan 0.000 0.472 712 H N 3.310 122.335 119.070 -0.075 0.000 2.972 712 H HA -0.024 4.533 4.556 0.000 0.000 0.343 712 H C 0.832 175.996 175.328 -0.273 0.000 1.054 712 H CA -0.120 55.806 56.048 -0.203 0.000 1.412 712 H CB 0.762 30.331 29.762 -0.322 0.000 1.385 712 H HN 0.624 nan 8.280 nan 0.000 0.600 713 F N 2.301 121.999 119.950 -0.419 0.000 2.184 713 F HA -0.335 4.192 4.527 0.000 0.000 0.301 713 F C 2.623 178.159 175.800 -0.441 0.000 1.076 713 F CA 1.921 59.485 58.000 -0.726 0.000 1.295 713 F CB -0.204 38.540 39.000 -0.427 0.000 1.026 713 F HN 0.679 nan 8.300 nan 0.000 0.494 714 Q N 0.136 119.822 119.800 -0.190 0.000 2.197 714 Q HA -0.327 4.013 4.340 0.000 0.000 0.211 714 Q C 2.025 177.805 176.000 -0.367 0.000 0.993 714 Q CA 2.351 57.987 55.803 -0.279 0.000 0.883 714 Q CB -0.387 28.141 28.738 -0.349 0.000 0.916 714 Q HN 0.617 nan 8.270 nan 0.000 0.418 715 Q N -0.433 119.193 119.800 -0.290 0.000 2.119 715 Q HA -0.093 4.247 4.340 0.000 0.000 0.201 715 Q C 2.254 178.158 176.000 -0.160 0.000 0.972 715 Q CA 1.589 57.325 55.803 -0.111 0.000 0.847 715 Q CB 0.030 28.766 28.738 -0.003 0.000 0.903 715 Q HN 0.339 nan 8.270 nan 0.000 0.433 716 S N 0.746 116.251 115.700 -0.326 0.000 2.395 716 S HA -0.019 4.452 4.470 0.000 0.000 0.225 716 S C 2.072 176.416 174.600 -0.427 0.000 1.027 716 S CA 0.734 58.720 58.200 -0.355 0.000 0.965 716 S CB -0.099 62.848 63.200 -0.422 0.000 0.812 716 S HN 0.462 nan 8.310 nan 0.000 0.482 717 A N 1.542 124.030 122.820 -0.553 0.000 1.940 717 A HA -0.156 4.165 4.320 0.000 0.000 0.219 717 A C 2.117 179.602 177.584 -0.165 0.000 1.176 717 A CA 1.227 53.083 52.037 -0.301 0.000 0.631 717 A CB -0.465 18.440 19.000 -0.158 0.000 0.814 717 A HN 0.387 nan 8.150 nan 0.000 0.446 718 Q N -0.573 119.139 119.800 -0.146 0.000 2.172 718 Q HA -0.011 4.329 4.340 0.000 0.000 0.200 718 Q C 2.133 178.078 176.000 -0.091 0.000 0.964 718 Q CA 0.967 56.735 55.803 -0.060 0.000 0.855 718 Q CB -0.282 28.496 28.738 0.066 0.000 0.918 718 Q HN 0.775 nan 8.270 nan 0.000 0.444 719 I N 1.166 121.651 120.570 -0.142 0.000 2.202 719 I HA -0.271 3.899 4.170 0.000 0.000 0.242 719 I C 2.541 178.479 176.117 -0.299 0.000 1.091 719 I CA 1.424 62.599 61.300 -0.208 0.000 1.368 719 I CB -0.355 37.525 38.000 -0.201 0.000 1.058 719 I HN 0.197 nan 8.210 nan 0.000 0.410 720 S N 0.932 116.455 115.700 -0.294 0.000 2.356 720 S HA -0.282 4.188 4.470 0.000 0.000 0.223 720 S C 2.010 176.544 174.600 -0.110 0.000 1.032 720 S CA 1.450 59.464 58.200 -0.312 0.000 1.005 720 S CB -0.503 62.650 63.200 -0.078 0.000 0.867 720 S HN 0.350 nan 8.310 nan 0.000 0.449 721 K N 1.893 122.255 120.400 -0.064 0.000 2.103 721 K HA -0.011 4.310 4.320 0.000 0.000 0.207 721 K C 2.204 178.785 176.600 -0.033 0.000 1.048 721 K CA 1.199 57.475 56.287 -0.017 0.000 0.930 721 K CB -0.681 31.809 32.500 -0.016 0.000 0.716 721 K HN 0.456 nan 8.250 nan 0.000 0.444 722 A N 0.894 123.664 122.820 -0.083 0.000 1.898 722 A HA -0.085 4.236 4.320 0.000 0.000 0.216 722 A C 2.074 179.601 177.584 -0.094 0.000 1.181 722 A CA 1.265 53.250 52.037 -0.087 0.000 0.620 722 A CB -0.540 18.388 19.000 -0.119 0.000 0.819 722 A HN 0.314 nan 8.150 nan 0.000 0.442 723 L N -0.649 120.478 121.223 -0.159 0.000 2.056 723 L HA -0.143 4.197 4.340 0.000 0.000 0.207 723 L C 2.514 179.416 176.870 0.054 0.000 1.078 723 L CA 0.968 55.740 54.840 -0.113 0.000 0.749 723 L CB -0.638 41.266 42.059 -0.258 0.000 0.901 723 L HN 0.226 nan 8.230 nan 0.000 0.433 724 V N -0.083 119.893 119.914 0.102 0.000 2.332 724 V HA -0.306 3.814 4.120 0.000 0.000 0.248 724 V C 2.161 178.293 176.094 0.062 0.000 1.055 724 V CA 1.928 64.300 62.300 0.121 0.000 1.038 724 V CB -0.550 31.345 31.823 0.120 0.000 0.651 724 V HN 0.447 nan 8.190 nan 0.000 0.450 725 D N 0.454 120.873 120.400 0.033 0.000 2.158 725 D HA -0.133 4.507 4.640 0.000 0.000 0.197 725 D C 1.752 178.067 176.300 0.025 0.000 0.995 725 D CA 1.954 55.968 54.000 0.022 0.000 0.846 725 D CB -0.214 40.590 40.800 0.007 0.000 0.941 725 D HN 0.569 nan 8.370 nan 0.000 0.456 726 V N -3.245 116.685 119.914 0.026 0.000 3.342 726 V HA 0.512 4.632 4.120 0.000 0.000 0.322 726 V C 1.114 177.239 176.094 0.051 0.000 1.370 726 V CA 0.191 62.512 62.300 0.034 0.000 1.170 726 V CB -0.144 31.698 31.823 0.031 0.000 1.101 726 V HN 0.166 nan 8.190 nan 0.000 0.442 727 G N 0.443 109.279 108.800 0.060 0.000 2.295 727 G HA2 -0.184 3.777 3.960 0.000 0.000 0.287 727 G HA3 -0.184 3.777 3.960 0.000 0.000 0.287 727 G C -0.122 174.836 174.900 0.097 0.000 1.055 727 G CA 0.361 45.504 45.100 0.072 0.000 0.922 727 G HN 0.876 nan 8.290 nan 0.000 0.503 728 V N 0.479 120.473 119.914 0.133 0.000 2.370 728 V HA 0.434 4.555 4.120 0.000 0.000 0.283 728 V C 0.427 176.680 176.094 0.264 0.000 1.023 728 V CA -0.568 61.840 62.300 0.181 0.000 0.857 728 V CB 1.759 33.693 31.823 0.184 0.000 0.985 728 V HN 0.495 nan 8.190 nan 0.000 0.443 729 D N 4.016 124.536 120.400 0.200 0.000 2.339 729 D HA 0.562 5.202 4.640 0.000 0.000 0.245 729 D C -0.553 175.911 176.300 0.273 0.000 1.115 729 D CA 0.272 54.351 54.000 0.131 0.000 0.917 729 D CB 0.762 41.599 40.800 0.062 0.000 1.192 729 D HN 0.377 nan 8.370 nan 0.000 0.428 730 F N -0.661 119.363 119.950 0.122 0.000 2.773 730 F HA 0.431 4.958 4.527 0.000 0.000 0.314 730 F C -1.675 174.179 175.800 0.090 0.000 1.160 730 F CA -1.171 56.925 58.000 0.161 0.000 0.920 730 F CB 0.725 39.851 39.000 0.211 0.000 1.323 730 F HN 0.082 nan 8.300 nan 0.000 0.457 731 Q N 1.525 121.441 119.800 0.193 0.000 2.245 731 Q HA 0.820 5.161 4.340 0.000 0.000 0.256 731 Q C -0.781 175.279 176.000 0.100 0.000 0.942 731 Q CA -0.667 55.153 55.803 0.027 0.000 0.896 731 Q CB 1.930 30.671 28.738 0.005 0.000 1.272 731 Q HN 1.049 nan 8.270 nan 0.000 0.442 732 A N 1.847 124.686 122.820 0.031 0.000 2.556 732 A HA 0.861 5.181 4.320 0.000 0.000 0.294 732 A C -1.328 176.231 177.584 -0.041 0.000 1.091 732 A CA -0.585 51.499 52.037 0.078 0.000 0.704 732 A CB 1.960 21.122 19.000 0.269 0.000 1.300 732 A HN 0.615 nan 8.150 nan 0.000 0.406 733 M N 1.383 120.930 119.600 -0.088 0.000 2.294 733 M HA 0.583 5.064 4.480 0.000 0.000 0.280 733 M C -2.122 174.030 176.300 -0.248 0.000 1.085 733 M CA -0.511 54.582 55.300 -0.345 0.000 0.969 733 M CB 1.195 33.528 32.600 -0.446 0.000 1.770 733 M HN 1.014 nan 8.290 nan 0.000 0.485 734 W N 4.437 125.565 121.300 -0.287 0.000 2.639 734 W HA 0.808 5.468 4.660 0.000 0.000 0.347 734 W C -2.174 174.078 176.519 -0.445 0.000 1.067 734 W CA -0.959 56.310 57.345 -0.126 0.000 1.218 734 W CB 0.510 29.985 29.460 0.025 0.000 1.393 734 W HN 0.601 nan 8.180 nan 0.000 0.557 735 Y N 2.165 122.627 120.300 0.269 0.000 2.338 735 Y HA 0.335 4.885 4.550 0.000 0.000 0.328 735 Y C 0.516 176.543 175.900 0.212 0.000 0.965 735 Y CA -1.193 56.973 58.100 0.110 0.000 1.208 735 Y CB 1.579 40.072 38.460 0.054 0.000 1.132 735 Y HN 0.426 nan 8.280 nan 0.000 0.469 736 T N 4.585 119.324 114.554 0.309 0.000 2.871 736 T HA -0.014 4.337 4.350 0.000 0.000 0.296 736 T C 0.170 174.937 174.700 0.112 0.000 0.998 736 T CA 0.581 62.796 62.100 0.191 0.000 1.162 736 T CB -0.097 68.831 68.868 0.101 0.000 0.947 736 T HN 0.704 nan 8.240 nan 0.000 0.536 737 D N 0.885 121.302 120.400 0.028 0.000 3.077 737 D HA -0.126 4.514 4.640 0.000 0.000 0.217 737 D C 0.295 176.698 176.300 0.172 0.000 1.162 737 D CA 1.174 55.108 54.000 -0.109 0.000 0.943 737 D CB -0.365 40.161 40.800 -0.455 0.000 1.122 737 D HN 0.556 nan 8.370 nan 0.000 0.413 738 E N 0.737 121.074 120.200 0.227 0.000 2.283 738 E HA 0.364 4.715 4.350 0.000 0.000 0.271 738 E C 0.724 177.513 176.600 0.314 0.000 1.031 738 E CA -0.360 56.199 56.400 0.265 0.000 0.868 738 E CB 1.321 31.171 29.700 0.249 0.000 1.094 738 E HN 0.315 nan 8.360 nan 0.000 0.401 739 D N -0.674 119.923 120.400 0.329 0.000 2.541 739 D HA 0.010 4.650 4.640 0.000 0.000 0.276 739 D C 1.075 177.625 176.300 0.418 0.000 1.190 739 D CA -0.229 53.993 54.000 0.368 0.000 1.095 739 D CB -0.195 40.840 40.800 0.393 0.000 1.173 739 D HN 0.400 nan 8.370 nan 0.000 0.604 740 H N -1.520 117.744 119.070 0.323 0.000 2.457 740 H HA 0.077 4.633 4.556 0.000 0.000 0.297 740 H C 1.815 177.389 175.328 0.410 0.000 1.092 740 H CA 2.143 58.405 56.048 0.357 0.000 1.309 740 H CB -0.372 29.574 29.762 0.307 0.000 1.382 740 H HN 0.491 nan 8.280 nan 0.000 0.535 741 G N -0.437 108.511 108.800 0.248 0.000 3.042 741 G HA2 0.060 4.020 3.960 0.000 0.000 0.212 741 G HA3 0.060 4.020 3.960 0.000 0.000 0.212 741 G C 0.576 175.587 174.900 0.185 0.000 1.166 741 G CA 0.160 45.293 45.100 0.056 0.000 0.767 741 G HN 0.496 nan 8.290 nan 0.000 0.546 742 I N 0.308 121.060 120.570 0.303 0.000 3.140 742 I HA -0.348 3.822 4.170 0.000 0.000 0.126 742 I C 1.652 177.870 176.117 0.168 0.000 0.942 742 I CA 0.231 61.668 61.300 0.228 0.000 2.770 742 I CB -1.035 37.110 38.000 0.241 0.000 0.936 742 I HN 0.270 nan 8.210 nan 0.000 0.348 743 A N 1.551 124.437 122.820 0.109 0.000 2.348 743 A HA 0.213 4.533 4.320 0.000 0.000 0.224 743 A C 1.238 178.845 177.584 0.039 0.000 1.227 743 A CA 0.540 52.598 52.037 0.035 0.000 0.885 743 A CB 0.119 19.101 19.000 -0.029 0.000 0.933 743 A HN 0.650 nan 8.150 nan 0.000 0.506 744 S N 0.011 115.755 115.700 0.073 0.000 2.558 744 S HA 0.096 4.566 4.470 0.000 0.000 0.287 744 S C 1.239 175.885 174.600 0.077 0.000 1.321 744 S CA 0.351 58.593 58.200 0.070 0.000 1.048 744 S CB 0.894 64.143 63.200 0.081 0.000 0.844 744 S HN 0.622 nan 8.310 nan 0.000 0.512 745 S N 2.646 118.382 115.700 0.061 0.000 2.380 745 S HA -0.243 4.227 4.470 0.000 0.000 0.229 745 S C 2.128 176.782 174.600 0.090 0.000 1.050 745 S CA 2.577 60.820 58.200 0.072 0.000 1.100 745 S CB -1.746 61.479 63.200 0.042 0.000 0.984 745 S HN 1.107 nan 8.310 nan 0.000 0.434 746 T N 0.021 114.614 114.554 0.066 0.000 2.737 746 T HA 0.117 4.467 4.350 0.000 0.000 0.265 746 T C 2.043 176.781 174.700 0.063 0.000 1.038 746 T CA 1.583 63.721 62.100 0.063 0.000 1.144 746 T CB -1.184 67.717 68.868 0.055 0.000 0.866 746 T HN 0.555 nan 8.240 nan 0.000 0.434 747 A N 1.614 124.445 122.820 0.018 0.000 1.933 747 A HA -0.144 4.177 4.320 0.000 0.000 0.218 747 A C 2.234 179.749 177.584 -0.116 0.000 1.175 747 A CA 2.211 54.169 52.037 -0.132 0.000 0.628 747 A CB -1.307 17.574 19.000 -0.198 0.000 0.814 747 A HN 0.791 nan 8.150 nan 0.000 0.444 748 H N -0.137 118.899 119.070 -0.057 0.000 2.319 748 H HA -0.138 4.418 4.556 0.000 0.000 0.299 748 H C 2.076 177.464 175.328 0.100 0.000 1.092 748 H CA 2.363 58.437 56.048 0.043 0.000 1.302 748 H CB -0.283 29.511 29.762 0.052 0.000 1.373 748 H HN 0.589 nan 8.280 nan 0.000 0.497 749 Q N -1.104 118.644 119.800 -0.088 0.000 2.119 749 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 749 Q C 2.210 178.172 176.000 -0.064 0.000 0.972 749 Q CA 1.252 56.969 55.803 -0.142 0.000 0.847 749 Q CB -0.165 28.535 28.738 -0.063 0.000 0.903 749 Q HN 0.623 nan 8.270 nan 0.000 0.433 750 H N 0.833 119.856 119.070 -0.078 0.000 2.357 750 H HA -0.067 4.489 4.556 0.000 0.000 0.301 750 H C 1.992 177.310 175.328 -0.016 0.000 1.082 750 H CA 1.285 57.322 56.048 -0.019 0.000 1.342 750 H CB -0.021 29.771 29.762 0.051 0.000 1.389 750 H HN 0.291 nan 8.280 nan 0.000 0.511 751 I N -0.014 120.565 120.570 0.015 0.000 2.252 751 I HA -0.315 3.855 4.170 0.000 0.000 0.245 751 I C 1.801 177.738 176.117 -0.301 0.000 1.102 751 I CA 1.225 62.473 61.300 -0.086 0.000 1.385 751 I CB -0.311 37.473 38.000 -0.360 0.000 1.064 751 I HN 0.096 nan 8.210 nan 0.000 0.414 752 Y N 1.138 121.276 120.300 -0.271 0.000 2.293 752 Y HA -0.201 4.349 4.550 0.000 0.000 0.291 752 Y C 2.709 178.425 175.900 -0.306 0.000 1.137 752 Y CA 1.866 59.704 58.100 -0.437 0.000 1.202 752 Y CB -0.859 37.362 38.460 -0.397 0.000 0.990 752 Y HN 0.184 nan 8.280 nan 0.000 0.537 753 T N -1.728 112.747 114.554 -0.131 0.000 2.737 753 T HA -0.216 4.134 4.350 0.000 0.000 0.265 753 T C 1.575 176.096 174.700 -0.299 0.000 1.038 753 T CA 1.819 63.774 62.100 -0.242 0.000 1.144 753 T CB -0.461 68.253 68.868 -0.258 0.000 0.866 753 T HN 0.375 nan 8.240 nan 0.000 0.434 754 H N 0.909 119.826 119.070 -0.254 0.000 2.321 754 H HA 0.091 4.647 4.556 0.000 0.000 0.300 754 H C 2.200 177.505 175.328 -0.040 0.000 1.087 754 H CA 1.622 57.611 56.048 -0.098 0.000 1.319 754 H CB -0.307 29.421 29.762 -0.057 0.000 1.379 754 H HN 0.242 nan 8.280 nan 0.000 0.501 755 M N -0.856 118.673 119.600 -0.118 0.000 2.159 755 M HA -0.179 4.301 4.480 0.000 0.000 0.263 755 M C 2.433 178.816 176.300 0.138 0.000 1.063 755 M CA 1.591 56.814 55.300 -0.129 0.000 1.110 755 M CB -0.032 32.268 32.600 -0.500 0.000 1.374 755 M HN 0.211 nan 8.290 nan 0.000 0.411 756 S N -0.647 115.158 115.700 0.174 0.000 2.356 756 S HA -0.165 4.306 4.470 0.000 0.000 0.223 756 S C 1.664 176.363 174.600 0.165 0.000 1.032 756 S CA 1.054 59.452 58.200 0.329 0.000 1.005 756 S CB -0.612 62.787 63.200 0.331 0.000 0.867 756 S HN 0.460 nan 8.310 nan 0.000 0.449 757 H N 0.022 119.147 119.070 0.090 0.000 2.353 757 H HA -0.088 4.468 4.556 0.000 0.000 0.298 757 H C 1.959 177.290 175.328 0.006 0.000 1.103 757 H CA 1.419 57.481 56.048 0.023 0.000 1.293 757 H CB -0.814 28.921 29.762 -0.046 0.000 1.372 757 H HN 0.429 nan 8.280 nan 0.000 0.501 758 F N 0.823 120.758 119.950 -0.026 0.000 2.051 758 F HA -0.177 4.351 4.527 0.000 0.000 0.296 758 F C 2.495 178.244 175.800 -0.086 0.000 1.122 758 F CA 0.938 58.889 58.000 -0.081 0.000 1.201 758 F CB -0.573 38.348 39.000 -0.131 0.000 0.978 758 F HN -0.030 nan 8.300 nan 0.000 0.472 759 I N 0.584 121.154 120.570 0.000 0.000 2.264 759 I HA -0.265 3.906 4.170 0.000 0.000 0.248 759 I C 2.246 178.131 176.117 -0.386 0.000 1.111 759 I CA 1.398 62.516 61.300 -0.304 0.000 1.382 759 I CB -0.601 37.290 38.000 -0.182 0.000 1.060 759 I HN 0.018 nan 8.210 nan 0.000 0.418 760 K N 0.137 120.464 120.400 -0.122 0.000 2.026 760 K HA -0.202 4.118 4.320 0.000 0.000 0.208 760 K C 2.143 178.716 176.600 -0.045 0.000 1.048 760 K CA 1.318 57.589 56.287 -0.028 0.000 0.929 760 K CB -0.472 32.074 32.500 0.077 0.000 0.713 760 K HN 0.314 nan 8.250 nan 0.000 0.439 761 Q N 0.281 120.021 119.800 -0.100 0.000 2.124 761 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 761 Q C 2.198 178.107 176.000 -0.152 0.000 0.977 761 Q CA 1.934 57.668 55.803 -0.114 0.000 0.850 761 Q CB -0.747 27.905 28.738 -0.144 0.000 0.901 761 Q HN 0.452 nan 8.270 nan 0.000 0.429 762 c N 0.123 118.536 118.600 -0.312 0.000 2.432 762 c HA -0.027 4.543 4.570 0.000 0.000 0.280 762 c C 1.982 176.151 174.090 0.131 0.000 1.353 762 c CA 0.265 56.451 56.329 -0.238 0.000 1.766 762 c CB -1.237 40.979 42.510 -0.489 0.000 1.924 762 c HN 0.515 nan 8.230 nan 0.000 0.509 763 F N 1.241 121.150 119.950 -0.069 0.000 2.695 763 F HA 0.326 4.853 4.527 0.000 0.000 0.303 763 F C 1.446 177.230 175.800 -0.027 0.000 1.091 763 F CA -0.425 57.556 58.000 -0.032 0.000 1.300 763 F CB -0.995 37.996 39.000 -0.016 0.000 1.071 763 F HN -0.004 nan 8.300 nan 0.000 0.578 764 S N 2.432 118.218 115.700 0.144 0.000 2.555 764 S HA 0.099 4.569 4.470 0.000 0.000 0.293 764 S C 0.412 175.041 174.600 0.049 0.000 1.248 764 S CA -0.167 58.077 58.200 0.074 0.000 1.096 764 S CB -0.184 63.038 63.200 0.036 0.000 0.881 764 S HN 0.096 nan 8.310 nan 0.000 0.498 765 L N 6.435 127.677 121.223 0.031 0.000 2.530 765 L HA 0.174 4.514 4.340 0.000 0.000 0.273 765 L C -0.762 176.111 176.870 0.005 0.000 1.141 765 L CA -1.297 53.547 54.840 0.007 0.000 0.905 765 L CB -0.570 41.483 42.059 -0.010 0.000 1.202 765 L HN 0.497 nan 8.230 nan 0.000 0.473 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.101 63.100 0.002 0.000 0.800 766 P CB 0.000 31.702 31.700 0.003 0.000 0.726