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 1wcy_1_A DATA FIRST_RESID 38 DATA SEQUENCE DSRKTYTLTD YLKNTYRLKL YSLRWISDHE YLYKQENNIL VFNAEYGNSS DATA SEQUENCE VFLENSTFDE FGHSINDYSI SPDGQFILLE YNYVKQWRHS YTASYDIYDL DATA SEQUENCE NKRQLITEER IPNNTQWVTW SPVGHKLAYV WNNDIYVKIE PNLPSYRITW DATA SEQUENCE TGKEDIIYNG ITDWVYEEEV FSAYSALWWS PNGTFLAYAQ FNDTEVPLIE DATA SEQUENCE YSFYSDESLQ YPKTVRVPYP KAGAVNPTVK FFVVNTDSLS SVTNATSIQI DATA SEQUENCE TAPASMLIGD HYLCDVTWAT QERISLQWLR RIQNYSVMDI cDYDESSGRW DATA SEQUENCE NcLVARQHIE MSTTGWVGRF RPSEPHFTLD GNSFYKIISN EEGYRHIcYF DATA SEQUENCE QIDKKDcTFI TKGTWEVIGI EALTSDYLYY ISNEYKGMPG GRNLYKIQLS DATA SEQUENCE DYTKVTCLSC ELNPERcQYY SVSFSKEAKY YQLRcSGPGL PLYTLHSSVN DATA SEQUENCE DKGLRVLEDN SALDKMLQNV QMPSKKLDFI ILNETKFWYQ MILPPHFDKS DATA SEQUENCE KKYPLLLDVY AGPCSQKADT VFRLNWATYL ASTENIIVAS FDGRGSGYQG DATA SEQUENCE DKIMHAINRR LGTFEVEDQI EAARQFSKMG FVDNKRIAIW GWSYGGYVTS DATA SEQUENCE MVLGSGSGVF KcGIAVAPVS RWEYYDSVYT ERYMGLPTPE DNLDHYRNST DATA SEQUENCE VMSRAENFKQ VEYLLIHGTA DDNVHFQQSA QISKALVDVG VDFQAMWYTD DATA SEQUENCE EDHGIASSTA HQHIYTHMSH FIKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.329 176.300 0.049 0.000 2.045 38 D CA 0.000 54.021 54.000 0.035 0.000 0.868 38 D CB 0.000 40.858 40.800 0.096 0.000 0.688 39 S N 2.307 118.036 115.700 0.048 0.000 2.572 39 S HA 0.282 4.751 4.470 -0.002 0.000 0.228 39 S C 0.810 175.446 174.600 0.060 0.000 0.963 39 S CA -0.495 57.733 58.200 0.047 0.000 0.939 39 S CB 0.161 63.382 63.200 0.035 0.000 0.804 39 S HN 0.311 nan 8.310 nan 0.000 0.480 40 R N 2.603 123.147 120.500 0.073 0.000 2.594 40 R HA 0.235 4.574 4.340 -0.002 0.000 0.272 40 R C 0.483 176.832 176.300 0.082 0.000 1.074 40 R CA -0.311 55.835 56.100 0.076 0.000 1.105 40 R CB 0.596 30.943 30.300 0.078 0.000 1.008 40 R HN 0.538 nan 8.270 nan 0.000 0.472 41 K N 0.397 120.848 120.400 0.085 0.000 2.286 41 K HA 0.065 4.384 4.320 -0.002 0.000 0.256 41 K C -0.045 176.612 176.600 0.096 0.000 0.999 41 K CA -0.292 56.050 56.287 0.092 0.000 0.908 41 K CB 0.451 33.016 32.500 0.107 0.000 0.981 41 K HN 0.631 nan 8.250 nan 0.000 0.500 42 T N -1.918 112.698 114.554 0.103 0.000 2.948 42 T HA 0.167 4.515 4.350 -0.002 0.000 0.285 42 T C -0.775 174.016 174.700 0.153 0.000 1.019 42 T CA -0.841 61.327 62.100 0.113 0.000 1.013 42 T CB 0.603 69.534 68.868 0.105 0.000 1.117 42 T HN 0.556 nan 8.240 nan 0.000 0.533 43 Y N 2.669 122.992 120.300 0.038 0.000 2.585 43 Y HA 0.364 4.913 4.550 -0.002 0.000 0.354 43 Y C 0.996 177.017 175.900 0.202 0.000 1.024 43 Y CA -0.409 57.732 58.100 0.068 0.000 1.321 43 Y CB -0.314 38.136 38.460 -0.017 0.000 1.151 43 Y HN 1.004 nan 8.280 nan 0.000 0.525 44 T N 2.142 116.701 114.554 0.008 0.000 2.816 44 T HA 0.090 4.439 4.350 -0.002 0.000 0.282 44 T C 1.033 175.694 174.700 -0.066 0.000 0.993 44 T CA -0.706 61.465 62.100 0.119 0.000 0.994 44 T CB 1.174 70.073 68.868 0.052 0.000 1.025 44 T HN 0.684 nan 8.240 nan 0.000 0.529 45 L N 1.104 122.152 121.223 -0.290 0.000 2.046 45 L HA 0.011 4.349 4.340 -0.002 0.000 0.208 45 L C 2.638 179.391 176.870 -0.195 0.000 1.077 45 L CA 2.129 56.645 54.840 -0.539 0.000 0.747 45 L CB -1.472 40.117 42.059 -0.782 0.000 0.896 45 L HN 0.963 nan 8.230 nan 0.000 0.432 46 T N -0.677 113.788 114.554 -0.149 0.000 2.833 46 T HA -0.149 4.200 4.350 -0.002 0.000 0.269 46 T C 1.469 176.109 174.700 -0.099 0.000 1.054 46 T CA 1.343 63.383 62.100 -0.101 0.000 1.135 46 T CB -0.367 68.462 68.868 -0.065 0.000 0.869 46 T HN 0.384 nan 8.240 nan 0.000 0.466 47 D N 0.241 120.552 120.400 -0.147 0.000 2.104 47 D HA -0.093 4.546 4.640 -0.002 0.000 0.194 47 D C 1.742 177.993 176.300 -0.082 0.000 0.994 47 D CA 1.060 54.953 54.000 -0.179 0.000 0.830 47 D CB -0.430 40.099 40.800 -0.452 0.000 0.959 47 D HN 0.407 nan 8.370 nan 0.000 0.452 48 Y N 1.555 121.725 120.300 -0.217 0.000 2.114 48 Y HA -0.113 4.436 4.550 -0.002 0.000 0.284 48 Y C 2.171 178.105 175.900 0.057 0.000 1.143 48 Y CA 1.286 59.423 58.100 0.062 0.000 1.135 48 Y CB -0.671 37.879 38.460 0.150 0.000 0.980 48 Y HN -0.091 nan 8.280 nan 0.000 0.499 49 L N 0.016 121.087 121.223 -0.253 0.000 2.201 49 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 49 L C 1.890 178.676 176.870 -0.140 0.000 1.105 49 L CA 1.208 55.869 54.840 -0.298 0.000 0.775 49 L CB -0.450 41.486 42.059 -0.205 0.000 0.913 49 L HN 0.100 nan 8.230 nan 0.000 0.440 50 K N -0.344 120.001 120.400 -0.091 0.000 2.367 50 K HA 0.061 4.380 4.320 -0.002 0.000 0.194 50 K C 0.233 176.810 176.600 -0.038 0.000 1.027 50 K CA -0.050 56.203 56.287 -0.058 0.000 1.075 50 K CB -0.269 32.198 32.500 -0.056 0.000 0.845 50 K HN 0.276 nan 8.250 nan 0.000 0.529 51 N N 1.486 120.180 118.700 -0.010 0.000 2.738 51 N HA -0.201 4.538 4.740 -0.002 0.000 0.249 51 N C -0.028 175.499 175.510 0.028 0.000 1.047 51 N CA 0.317 53.400 53.050 0.055 0.000 0.707 51 N CB -0.474 38.030 38.487 0.029 0.000 0.937 51 N HN 0.074 nan 8.380 nan 0.000 0.545 52 T N -0.311 114.230 114.554 -0.023 0.000 2.746 52 T HA -0.164 4.185 4.350 -0.002 0.000 0.267 52 T C 0.313 174.827 174.700 -0.310 0.000 1.039 52 T CA 1.360 63.331 62.100 -0.215 0.000 1.142 52 T CB -0.136 68.512 68.868 -0.366 0.000 0.866 52 T HN 0.376 nan 8.240 nan 0.000 0.444 53 Y N 1.855 122.245 120.300 0.150 0.000 2.595 53 Y HA 0.443 4.992 4.550 -0.002 0.000 0.336 53 Y C 0.495 176.506 175.900 0.185 0.000 0.996 53 Y CA -1.059 57.156 58.100 0.191 0.000 1.260 53 Y CB 0.302 38.943 38.460 0.301 0.000 1.108 53 Y HN -0.060 nan 8.280 nan 0.000 0.509 54 R N 3.836 124.456 120.500 0.200 0.000 2.265 54 R HA 0.488 4.827 4.340 -0.002 0.000 0.319 54 R C -1.138 175.262 176.300 0.166 0.000 1.006 54 R CA -0.582 55.618 56.100 0.165 0.000 0.880 54 R CB 0.611 30.966 30.300 0.092 0.000 1.077 54 R HN 0.698 nan 8.270 nan 0.000 0.454 55 L N 5.183 126.512 121.223 0.177 0.000 2.361 55 L HA 0.218 4.557 4.340 -0.002 0.000 0.278 55 L C 0.370 177.325 176.870 0.141 0.000 1.113 55 L CA 0.062 55.003 54.840 0.169 0.000 0.849 55 L CB 0.730 42.905 42.059 0.194 0.000 1.155 55 L HN 0.526 nan 8.230 nan 0.000 0.452 56 K N 3.653 124.134 120.400 0.135 0.000 2.185 56 K HA 0.545 4.864 4.320 -0.002 0.000 0.271 56 K C -0.779 175.903 176.600 0.136 0.000 1.013 56 K CA -0.635 55.719 56.287 0.111 0.000 0.943 56 K CB 1.138 33.696 32.500 0.098 0.000 0.998 56 K HN 0.235 nan 8.250 nan 0.000 0.468 57 L N 1.330 122.567 121.223 0.024 0.000 2.271 57 L HA 0.441 4.780 4.340 -0.002 0.000 0.265 57 L C -0.908 175.741 176.870 -0.368 0.000 1.013 57 L CA -0.719 54.029 54.840 -0.152 0.000 0.820 57 L CB 0.461 42.500 42.059 -0.033 0.000 1.352 57 L HN 0.494 nan 8.230 nan 0.000 0.443 58 Y N -0.037 119.736 120.300 -0.878 0.000 2.517 58 Y HA 0.448 4.997 4.550 -0.002 0.000 0.346 58 Y C -0.753 174.931 175.900 -0.361 0.000 1.113 58 Y CA -0.341 57.403 58.100 -0.593 0.000 1.295 58 Y CB 1.160 39.098 38.460 -0.870 0.000 1.094 58 Y HN 0.520 nan 8.280 nan 0.000 0.608 59 S N 5.658 121.261 115.700 -0.163 0.000 2.439 59 S HA 0.540 5.009 4.470 -0.002 0.000 0.282 59 S C -0.692 173.859 174.600 -0.081 0.000 1.170 59 S CA -0.526 57.623 58.200 -0.085 0.000 1.054 59 S CB 0.031 63.194 63.200 -0.061 0.000 0.956 59 S HN 0.552 nan 8.310 nan 0.000 0.490 60 L N 1.571 122.708 121.223 -0.144 0.000 2.323 60 L HA 0.780 5.119 4.340 -0.002 0.000 0.265 60 L C -0.389 176.365 176.870 -0.194 0.000 1.012 60 L CA -0.931 53.775 54.840 -0.223 0.000 0.820 60 L CB 1.008 42.620 42.059 -0.745 0.000 1.334 60 L HN 0.359 nan 8.230 nan 0.000 0.427 61 R N 1.166 121.599 120.500 -0.111 0.000 2.435 61 R HA 0.370 4.709 4.340 -0.002 0.000 0.308 61 R C -1.689 174.633 176.300 0.036 0.000 0.975 61 R CA -0.309 55.782 56.100 -0.014 0.000 0.867 61 R CB 1.041 31.367 30.300 0.042 0.000 1.171 61 R HN 0.674 nan 8.270 nan 0.000 0.470 62 W N 4.337 125.734 121.300 0.161 0.000 2.251 62 W HA 0.107 4.765 4.660 -0.002 0.000 0.327 62 W C 1.564 178.167 176.519 0.139 0.000 1.361 62 W CA -0.400 57.055 57.345 0.183 0.000 1.234 62 W CB 0.456 30.015 29.460 0.164 0.000 1.212 62 W HN 0.644 nan 8.180 nan 0.000 0.557 63 I N 0.472 121.265 120.570 0.372 0.000 4.082 63 I HA 0.346 4.515 4.170 -0.002 0.000 0.337 63 I C 0.493 176.748 176.117 0.230 0.000 1.352 63 I CA -0.126 61.310 61.300 0.227 0.000 1.097 63 I CB -0.194 37.887 38.000 0.136 0.000 1.048 63 I HN 0.279 nan 8.210 nan 0.000 0.393 64 S N -0.606 115.277 115.700 0.304 0.000 2.671 64 S HA 0.211 4.680 4.470 -0.002 0.000 0.270 64 S C -0.292 174.416 174.600 0.179 0.000 1.166 64 S CA -0.233 58.099 58.200 0.221 0.000 0.868 64 S CB 1.297 64.635 63.200 0.230 0.000 1.190 64 S HN 0.069 nan 8.310 nan 0.000 0.494 65 D N -0.870 119.542 120.400 0.020 0.000 2.349 65 D HA 0.208 4.847 4.640 -0.002 0.000 0.224 65 D C 1.007 177.170 176.300 -0.229 0.000 1.029 65 D CA 0.877 54.762 54.000 -0.191 0.000 0.879 65 D CB 0.034 40.644 40.800 -0.316 0.000 0.906 65 D HN 0.554 nan 8.370 nan 0.000 0.528 66 H N -1.011 118.221 119.070 0.270 0.000 3.091 66 H HA 0.248 4.803 4.556 -0.002 0.000 0.249 66 H C 0.192 175.654 175.328 0.223 0.000 0.985 66 H CA 0.242 56.436 56.048 0.242 0.000 1.177 66 H CB 0.818 30.686 29.762 0.177 0.000 1.456 66 H HN 0.319 nan 8.280 nan 0.000 0.467 67 E N 0.524 120.974 120.200 0.417 0.000 2.416 67 E HA 0.482 4.831 4.350 -0.002 0.000 0.273 67 E C -1.304 175.500 176.600 0.341 0.000 0.935 67 E CA -1.229 55.337 56.400 0.277 0.000 0.784 67 E CB 2.751 32.527 29.700 0.126 0.000 1.301 67 E HN 0.126 nan 8.360 nan 0.000 0.454 68 Y N -1.109 119.218 120.300 0.046 0.000 2.588 68 Y HA 0.620 5.169 4.550 -0.002 0.000 0.343 68 Y C -1.515 174.371 175.900 -0.025 0.000 1.065 68 Y CA -1.504 56.520 58.100 -0.126 0.000 1.038 68 Y CB 1.244 39.308 38.460 -0.660 0.000 1.297 68 Y HN 0.405 nan 8.280 nan 0.000 0.467 69 L N 3.237 124.548 121.223 0.148 0.000 2.307 69 L HA 0.436 4.774 4.340 -0.002 0.000 0.282 69 L C -1.270 175.750 176.870 0.250 0.000 1.051 69 L CA -0.890 53.992 54.840 0.072 0.000 0.804 69 L CB 1.325 43.284 42.059 -0.166 0.000 1.197 69 L HN 0.756 nan 8.230 nan 0.000 0.431 70 Y N 3.016 123.387 120.300 0.119 0.000 2.421 70 Y HA 0.296 4.845 4.550 -0.002 0.000 0.339 70 Y C -0.506 175.401 175.900 0.011 0.000 0.996 70 Y CA -1.278 56.834 58.100 0.020 0.000 1.046 70 Y CB 1.644 40.100 38.460 -0.006 0.000 1.226 70 Y HN 0.445 nan 8.280 nan 0.000 0.445 71 K N 5.498 125.471 120.400 -0.712 0.000 2.276 71 K HA 0.328 4.647 4.320 -0.002 0.000 0.285 71 K C -1.132 175.064 176.600 -0.673 0.000 1.062 71 K CA -0.279 55.702 56.287 -0.509 0.000 0.918 71 K CB 0.589 32.881 32.500 -0.345 0.000 1.055 71 K HN 0.860 nan 8.250 nan 0.000 0.477 72 Q N 4.002 123.635 119.800 -0.279 0.000 2.271 72 Q HA 0.106 4.445 4.340 -0.002 0.000 0.268 72 Q C -1.286 174.687 176.000 -0.044 0.000 1.021 72 Q CA -0.277 55.450 55.803 -0.128 0.000 0.802 72 Q CB 1.284 30.081 28.738 0.097 0.000 1.282 72 Q HN 0.804 nan 8.270 nan 0.000 0.431 73 E N 3.228 123.406 120.200 -0.037 0.000 2.416 73 E HA -0.330 4.019 4.350 -0.002 0.000 0.249 73 E C -0.351 176.236 176.600 -0.022 0.000 1.124 73 E CA 0.553 56.943 56.400 -0.017 0.000 0.732 73 E CB -1.180 28.521 29.700 0.003 0.000 1.286 73 E HN 0.939 nan 8.360 nan 0.000 0.394 74 N N -1.628 117.051 118.700 -0.036 0.000 2.900 74 N HA -0.212 4.527 4.740 -0.002 0.000 0.240 74 N C -0.273 175.234 175.510 -0.005 0.000 0.953 74 N CA 2.078 55.119 53.050 -0.016 0.000 0.950 74 N CB -1.261 37.227 38.487 0.000 0.000 1.102 74 N HN 0.700 nan 8.380 nan 0.000 0.593 75 N N 0.466 119.153 118.700 -0.023 0.000 2.384 75 N HA 0.590 5.329 4.740 -0.002 0.000 0.301 75 N C -0.405 175.083 175.510 -0.037 0.000 1.133 75 N CA -0.635 52.402 53.050 -0.022 0.000 0.853 75 N CB 1.112 39.590 38.487 -0.016 0.000 1.241 75 N HN 0.108 nan 8.380 nan 0.000 0.502 76 I N 1.303 121.851 120.570 -0.037 0.000 2.337 76 I HA 0.194 4.363 4.170 -0.002 0.000 0.291 76 I C -0.285 175.860 176.117 0.046 0.000 1.046 76 I CA -0.563 60.715 61.300 -0.038 0.000 1.324 76 I CB 0.197 38.135 38.000 -0.104 0.000 1.409 76 I HN 0.318 nan 8.210 nan 0.000 0.494 77 L N 6.839 128.098 121.223 0.061 0.000 2.344 77 L HA 0.621 4.959 4.340 -0.002 0.000 0.272 77 L C -0.294 176.614 176.870 0.062 0.000 1.035 77 L CA -0.960 53.908 54.840 0.047 0.000 0.807 77 L CB 2.114 44.190 42.059 0.027 0.000 1.237 77 L HN 0.304 nan 8.230 nan 0.000 0.442 78 V N 2.077 121.957 119.914 -0.057 0.000 2.448 78 V HA 0.518 4.637 4.120 -0.002 0.000 0.295 78 V C -1.026 174.899 176.094 -0.283 0.000 1.025 78 V CA -0.233 62.040 62.300 -0.046 0.000 0.859 78 V CB 1.425 33.311 31.823 0.106 0.000 0.988 78 V HN 0.439 nan 8.190 nan 0.000 0.431 79 F N 5.120 124.792 119.950 -0.463 0.000 2.480 79 F HA 0.492 5.018 4.527 -0.002 0.000 0.329 79 F C 0.536 176.053 175.800 -0.472 0.000 1.091 79 F CA -0.628 57.033 58.000 -0.566 0.000 0.972 79 F CB 1.532 39.932 39.000 -0.999 0.000 1.150 79 F HN 0.497 nan 8.300 nan 0.000 0.467 80 N N 2.118 120.768 118.700 -0.083 0.000 2.420 80 N HA 0.214 4.953 4.740 -0.002 0.000 0.249 80 N C 0.648 176.113 175.510 -0.075 0.000 1.033 80 N CA 0.160 53.186 53.050 -0.040 0.000 0.944 80 N CB 1.584 40.096 38.487 0.042 0.000 1.113 80 N HN 0.817 nan 8.380 nan 0.000 0.502 81 A N 4.126 126.861 122.820 -0.141 0.000 1.892 81 A HA -0.224 4.094 4.320 -0.002 0.000 0.218 81 A C 1.910 179.278 177.584 -0.359 0.000 1.188 81 A CA 1.831 53.718 52.037 -0.251 0.000 0.631 81 A CB -0.603 18.051 19.000 -0.576 0.000 0.822 81 A HN 0.874 nan 8.150 nan 0.000 0.447 82 E N -1.833 118.092 120.200 -0.459 0.000 2.077 82 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 82 E C 1.357 177.675 176.600 -0.471 0.000 0.989 82 E CA 1.664 57.805 56.400 -0.431 0.000 0.800 82 E CB -0.166 29.167 29.700 -0.611 0.000 0.746 82 E HN 0.761 nan 8.360 nan 0.000 0.452 83 Y N -1.714 118.596 120.300 0.018 0.000 2.442 83 Y HA 0.354 4.903 4.550 -0.001 0.000 0.250 83 Y C 1.557 177.468 175.900 0.019 0.000 1.113 83 Y CA 0.271 58.382 58.100 0.019 0.000 1.273 83 Y CB 1.075 39.543 38.460 0.013 0.000 1.138 83 Y HN 0.217 nan 8.280 nan 0.000 0.522 84 G N 0.878 109.753 108.800 0.125 0.000 2.179 84 G HA2 -0.333 3.625 3.960 -0.002 0.000 0.260 84 G HA3 -0.333 3.625 3.960 -0.002 0.000 0.260 84 G C 0.228 175.235 174.900 0.178 0.000 0.977 84 G CA 0.292 45.481 45.100 0.149 0.000 0.641 84 G HN 0.465 nan 8.290 nan 0.000 0.533 85 N N 0.651 119.419 118.700 0.113 0.000 2.467 85 N HA 0.586 5.325 4.740 -0.002 0.000 0.262 85 N C 0.119 175.549 175.510 -0.133 0.000 1.234 85 N CA 0.728 53.785 53.050 0.011 0.000 0.952 85 N CB 1.542 40.038 38.487 0.016 0.000 1.158 85 N HN 0.995 nan 8.380 nan 0.000 0.463 86 S N -0.733 114.792 115.700 -0.291 0.000 2.705 86 S HA 0.752 5.221 4.470 -0.002 0.000 0.280 86 S C -1.017 173.385 174.600 -0.331 0.000 1.174 86 S CA -0.835 57.050 58.200 -0.525 0.000 0.823 86 S CB 1.414 63.790 63.200 -1.374 0.000 1.162 86 S HN 0.650 nan 8.310 nan 0.000 0.487 87 S N -0.280 115.237 115.700 -0.304 0.000 2.607 87 S HA 0.576 5.045 4.470 -0.002 0.000 0.273 87 S C -1.137 173.386 174.600 -0.129 0.000 1.148 87 S CA -0.757 57.341 58.200 -0.171 0.000 0.833 87 S CB 1.653 64.786 63.200 -0.111 0.000 1.130 87 S HN 0.775 nan 8.310 nan 0.000 0.470 88 V N 3.254 123.118 119.914 -0.084 0.000 2.370 88 V HA 0.138 4.257 4.120 -0.002 0.000 0.257 88 V C 0.691 176.785 176.094 0.001 0.000 1.064 88 V CA 0.130 62.407 62.300 -0.038 0.000 0.975 88 V CB -0.662 31.131 31.823 -0.049 0.000 1.067 88 V HN 0.908 nan 8.190 nan 0.000 0.485 89 F N 5.514 125.408 119.950 -0.092 0.000 2.163 89 F HA 0.143 4.669 4.527 -0.002 0.000 0.297 89 F C 0.672 176.432 175.800 -0.067 0.000 1.094 89 F CA 1.255 59.211 58.000 -0.072 0.000 1.290 89 F CB 0.428 39.392 39.000 -0.060 0.000 1.017 89 F HN 0.363 nan 8.300 nan 0.000 0.483 90 L N 0.959 122.303 121.223 0.201 0.000 2.555 90 L HA 0.253 4.591 4.340 -0.002 0.000 0.264 90 L C -0.607 176.260 176.870 -0.004 0.000 0.972 90 L CA -0.555 54.332 54.840 0.079 0.000 0.876 90 L CB 1.087 43.240 42.059 0.157 0.000 1.216 90 L HN 0.008 nan 8.230 nan 0.000 0.415 91 E N 1.738 121.907 120.200 -0.053 0.000 2.465 91 E HA -0.067 4.282 4.350 -0.002 0.000 0.260 91 E C 0.669 177.236 176.600 -0.054 0.000 0.980 91 E CA 0.168 56.532 56.400 -0.059 0.000 0.927 91 E CB 0.769 30.420 29.700 -0.082 0.000 0.934 91 E HN 0.704 nan 8.360 nan 0.000 0.459 92 N N 2.077 120.761 118.700 -0.027 0.000 2.635 92 N HA -0.127 4.612 4.740 -0.002 0.000 0.191 92 N C 0.514 176.024 175.510 0.000 0.000 1.155 92 N CA 0.846 53.898 53.050 0.002 0.000 0.927 92 N CB 0.313 38.803 38.487 0.004 0.000 0.976 92 N HN 0.113 nan 8.380 nan 0.000 0.448 93 S N -1.627 114.046 115.700 -0.045 0.000 2.540 93 S HA 0.083 4.552 4.470 -0.002 0.000 0.218 93 S C 1.336 175.855 174.600 -0.135 0.000 0.977 93 S CA -0.131 58.034 58.200 -0.058 0.000 0.918 93 S CB 0.021 63.187 63.200 -0.057 0.000 0.806 93 S HN 0.385 nan 8.310 nan 0.000 0.496 94 T N 1.837 116.244 114.554 -0.245 0.000 2.699 94 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 94 T C 0.313 174.543 174.700 -0.783 0.000 1.036 94 T CA 1.320 63.063 62.100 -0.595 0.000 1.147 94 T CB -0.309 67.999 68.868 -0.934 0.000 0.862 94 T HN 0.464 nan 8.240 nan 0.000 0.446 95 F N 1.168 121.048 119.950 -0.116 0.000 2.798 95 F HA 0.378 4.904 4.527 -0.002 0.000 0.333 95 F C 0.891 176.698 175.800 0.010 0.000 1.324 95 F CA -0.990 56.968 58.000 -0.070 0.000 1.183 95 F CB 0.261 39.139 39.000 -0.203 0.000 1.132 95 F HN -0.027 nan 8.300 nan 0.000 0.521 96 D N 0.256 120.710 120.400 0.089 0.000 2.194 96 D HA -0.061 4.578 4.640 -0.002 0.000 0.204 96 D C 1.339 177.686 176.300 0.079 0.000 0.964 96 D CA 1.064 55.108 54.000 0.072 0.000 0.846 96 D CB 0.284 41.096 40.800 0.019 0.000 0.962 96 D HN 0.354 nan 8.370 nan 0.000 0.490 97 E N -0.036 120.214 120.200 0.082 0.000 2.437 97 E HA 0.023 4.372 4.350 -0.002 0.000 0.195 97 E C 1.012 177.667 176.600 0.091 0.000 1.029 97 E CA -0.373 56.060 56.400 0.054 0.000 0.948 97 E CB -0.143 29.569 29.700 0.021 0.000 1.082 97 E HN 0.214 nan 8.360 nan 0.000 0.456 98 F N 1.656 121.611 119.950 0.008 0.000 2.216 98 F HA -0.023 4.503 4.527 -0.002 0.000 0.300 98 F C 1.690 177.419 175.800 -0.118 0.000 1.085 98 F CA 1.865 59.865 58.000 0.000 0.000 1.326 98 F CB 0.164 39.183 39.000 0.033 0.000 1.027 98 F HN 0.264 nan 8.300 nan 0.000 0.497 99 G N -0.929 107.762 108.800 -0.182 0.000 2.175 99 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.244 99 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.244 99 G C 0.020 174.494 174.900 -0.710 0.000 0.982 99 G CA 0.266 45.093 45.100 -0.456 0.000 0.641 99 G HN 0.564 nan 8.290 nan 0.000 0.527 100 H N -0.654 118.396 119.070 -0.032 0.000 2.996 100 H HA 0.563 5.117 4.556 -0.002 0.000 0.368 100 H C -0.670 174.746 175.328 0.146 0.000 1.185 100 H CA -0.047 56.029 56.048 0.046 0.000 1.160 100 H CB 1.477 31.188 29.762 -0.086 0.000 1.820 100 H HN 0.178 nan 8.280 nan 0.000 0.547 101 S N 2.270 118.104 115.700 0.223 0.000 2.448 101 S HA 0.265 4.734 4.470 -0.002 0.000 0.279 101 S C 0.325 174.963 174.600 0.064 0.000 1.195 101 S CA -0.676 57.588 58.200 0.107 0.000 1.051 101 S CB -0.591 62.649 63.200 0.067 0.000 0.948 101 S HN 0.366 nan 8.310 nan 0.000 0.493 102 I N 5.687 126.215 120.570 -0.069 0.000 2.436 102 I HA 0.085 4.254 4.170 -0.002 0.000 0.289 102 I C 1.487 177.429 176.117 -0.291 0.000 1.083 102 I CA -0.293 60.862 61.300 -0.241 0.000 1.372 102 I CB 0.599 38.293 38.000 -0.511 0.000 1.408 102 I HN 0.727 nan 8.210 nan 0.000 0.516 103 N N 4.140 122.698 118.700 -0.236 0.000 2.216 103 N HA -0.094 4.645 4.740 -0.002 0.000 0.183 103 N C 0.038 175.329 175.510 -0.364 0.000 1.017 103 N CA 1.265 54.148 53.050 -0.279 0.000 0.861 103 N CB 0.351 38.689 38.487 -0.249 0.000 0.986 103 N HN 0.680 nan 8.380 nan 0.000 0.428 104 D N -3.037 117.108 120.400 -0.424 0.000 2.671 104 D HA 0.227 4.866 4.640 -0.002 0.000 0.273 104 D C -1.714 174.307 176.300 -0.466 0.000 1.264 104 D CA -0.496 53.267 54.000 -0.395 0.000 0.788 104 D CB 0.464 41.167 40.800 -0.162 0.000 1.324 104 D HN -0.089 nan 8.370 nan 0.000 0.424 105 Y N -0.272 120.029 120.300 0.002 0.000 2.602 105 Y HA 0.645 5.194 4.550 -0.002 0.000 0.342 105 Y C 0.009 175.976 175.900 0.111 0.000 1.029 105 Y CA -0.826 57.295 58.100 0.035 0.000 1.080 105 Y CB 2.361 40.818 38.460 -0.005 0.000 1.284 105 Y HN 0.156 nan 8.280 nan 0.000 0.485 106 S N 1.708 117.634 115.700 0.376 0.000 2.614 106 S HA 0.512 4.981 4.470 -0.002 0.000 0.259 106 S C -1.709 173.164 174.600 0.455 0.000 1.118 106 S CA -0.442 57.990 58.200 0.387 0.000 1.065 106 S CB -0.183 63.262 63.200 0.408 0.000 1.121 106 S HN 0.453 nan 8.310 nan 0.000 0.458 107 I N 4.490 125.187 120.570 0.211 0.000 2.441 107 I HA 0.298 4.466 4.170 -0.002 0.000 0.287 107 I C 1.039 176.966 176.117 -0.318 0.000 1.049 107 I CA 0.200 61.527 61.300 0.044 0.000 1.381 107 I CB 1.477 39.483 38.000 0.010 0.000 1.409 107 I HN 0.710 nan 8.210 nan 0.000 0.523 108 S N 6.235 121.454 115.700 -0.802 0.000 2.573 108 S HA 0.192 4.660 4.470 -0.002 0.000 0.277 108 S C -1.798 172.515 174.600 -0.477 0.000 1.346 108 S CA -0.798 56.596 58.200 -1.342 0.000 1.034 108 S CB 0.348 62.693 63.200 -1.424 0.000 0.879 108 S HN 0.465 nan 8.310 nan 0.000 0.528 109 P HA -0.156 nan 4.420 nan 0.000 0.217 109 P C 0.614 177.874 177.300 -0.066 0.000 1.151 109 P CA 1.659 64.690 63.100 -0.116 0.000 0.849 109 P CB -0.171 31.476 31.700 -0.088 0.000 0.787 110 D N -2.179 118.174 120.400 -0.079 0.000 2.325 110 D HA 0.118 4.757 4.640 -0.002 0.000 0.234 110 D C 1.353 177.653 176.300 0.000 0.000 1.122 110 D CA 0.245 54.236 54.000 -0.014 0.000 0.850 110 D CB -1.312 39.498 40.800 0.016 0.000 0.921 110 D HN 0.160 nan 8.370 nan 0.000 0.513 111 G N 0.577 109.369 108.800 -0.013 0.000 2.219 111 G HA2 -0.446 3.512 3.960 -0.002 0.000 0.271 111 G HA3 -0.446 3.512 3.960 -0.002 0.000 0.271 111 G C 0.976 175.861 174.900 -0.024 0.000 0.991 111 G CA 0.925 46.053 45.100 0.046 0.000 0.685 111 G HN 0.497 nan 8.290 nan 0.000 0.531 112 Q N -1.729 118.024 119.800 -0.079 0.000 2.331 112 Q HA 0.315 4.654 4.340 -0.002 0.000 0.203 112 Q C 0.329 175.958 176.000 -0.620 0.000 0.944 112 Q CA 0.660 56.276 55.803 -0.311 0.000 0.892 112 Q CB 0.352 28.944 28.738 -0.245 0.000 0.983 112 Q HN 0.594 nan 8.270 nan 0.000 0.482 113 F N -0.562 119.317 119.950 -0.119 0.000 2.613 113 F HA 0.520 5.046 4.527 -0.002 0.000 0.314 113 F C -0.602 175.240 175.800 0.070 0.000 1.075 113 F CA -1.244 56.744 58.000 -0.019 0.000 0.945 113 F CB 1.794 40.817 39.000 0.040 0.000 1.310 113 F HN -0.212 nan 8.300 nan 0.000 0.467 114 I N 2.795 123.667 120.570 0.503 0.000 2.499 114 I HA 0.483 4.652 4.170 -0.002 0.000 0.288 114 I C -1.854 174.612 176.117 0.582 0.000 1.048 114 I CA -1.063 60.534 61.300 0.494 0.000 1.062 114 I CB 1.555 39.811 38.000 0.427 0.000 1.238 114 I HN 0.541 nan 8.210 nan 0.000 0.426 115 L N 8.485 130.085 121.223 0.629 0.000 2.261 115 L HA 0.451 4.789 4.340 -0.002 0.000 0.289 115 L C -1.069 176.002 176.870 0.333 0.000 1.059 115 L CA -0.019 55.086 54.840 0.442 0.000 0.816 115 L CB 0.719 42.953 42.059 0.292 0.000 1.191 115 L HN 0.495 nan 8.230 nan 0.000 0.431 116 L N 5.041 126.409 121.223 0.242 0.000 2.276 116 L HA 0.464 4.803 4.340 -0.002 0.000 0.286 116 L C 0.128 177.090 176.870 0.152 0.000 1.061 116 L CA -0.292 54.586 54.840 0.063 0.000 0.807 116 L CB 1.190 43.096 42.059 -0.254 0.000 1.177 116 L HN 0.616 nan 8.230 nan 0.000 0.429 117 E N 3.740 123.944 120.200 0.006 0.000 2.158 117 E HA 0.466 4.814 4.350 -0.002 0.000 0.271 117 E C -1.629 174.931 176.600 -0.066 0.000 0.911 117 E CA -0.537 55.778 56.400 -0.141 0.000 0.767 117 E CB 1.351 31.031 29.700 -0.034 0.000 1.120 117 E HN 0.451 nan 8.360 nan 0.000 0.405 118 Y N 1.532 121.636 120.300 -0.327 0.000 2.829 118 Y HA 0.456 5.005 4.550 -0.002 0.000 0.322 118 Y C 0.027 175.815 175.900 -0.187 0.000 1.357 118 Y CA -1.626 56.362 58.100 -0.185 0.000 1.081 118 Y CB 0.340 38.767 38.460 -0.054 0.000 1.339 118 Y HN 0.520 nan 8.280 nan 0.000 0.469 119 N N -0.762 117.893 118.700 -0.076 0.000 2.714 119 N HA -0.296 4.443 4.740 -0.002 0.000 0.250 119 N C -0.873 174.572 175.510 -0.108 0.000 1.117 119 N CA 1.055 54.013 53.050 -0.154 0.000 0.719 119 N CB -1.581 36.678 38.487 -0.379 0.000 1.081 119 N HN 0.854 nan 8.380 nan 0.000 0.557 120 Y N 0.625 120.826 120.300 -0.164 0.000 2.632 120 Y HA 0.253 4.802 4.550 -0.002 0.000 0.329 120 Y C -0.019 175.831 175.900 -0.085 0.000 1.174 120 Y CA 0.071 58.088 58.100 -0.138 0.000 1.469 120 Y CB 0.643 38.974 38.460 -0.215 0.000 1.242 120 Y HN -0.024 nan 8.280 nan 0.000 0.540 121 V N 8.238 127.789 119.914 -0.605 0.000 2.398 121 V HA 0.183 4.302 4.120 -0.002 0.000 0.282 121 V C -0.171 175.533 176.094 -0.650 0.000 1.014 121 V CA -1.413 60.586 62.300 -0.502 0.000 0.838 121 V CB 1.056 32.731 31.823 -0.248 0.000 1.018 121 V HN 0.778 nan 8.190 nan 0.000 0.432 122 K N 3.666 123.623 120.400 -0.737 0.000 2.469 122 K HA 0.141 4.460 4.320 -0.002 0.000 0.274 122 K C 0.431 176.845 176.600 -0.309 0.000 0.983 122 K CA 0.387 56.421 56.287 -0.421 0.000 0.974 122 K CB 1.172 33.611 32.500 -0.101 0.000 0.913 122 K HN 0.810 nan 8.250 nan 0.000 0.493 123 Q N 2.792 122.394 119.800 -0.330 0.000 2.362 123 Q HA 0.171 4.510 4.340 -0.002 0.000 0.190 123 Q C -0.007 175.731 176.000 -0.436 0.000 0.763 123 Q CA -0.434 54.975 55.803 -0.656 0.000 0.681 123 Q CB 0.124 28.285 28.738 -0.962 0.000 2.020 123 Q HN 0.743 nan 8.270 nan 0.000 0.483 124 W N 0.254 121.542 121.300 -0.019 0.000 1.836 124 W HA 0.397 5.056 4.660 -0.002 0.000 0.628 124 W C 1.822 178.318 176.519 -0.039 0.000 1.626 124 W CA -0.742 56.617 57.345 0.023 0.000 1.714 124 W CB -0.120 29.318 29.460 -0.036 0.000 3.166 124 W HN 0.261 nan 8.180 nan 0.000 0.772 125 R N -0.619 119.963 120.500 0.137 0.000 2.115 125 R HA -0.136 4.203 4.340 -0.002 0.000 0.230 125 R C 1.627 177.738 176.300 -0.315 0.000 1.111 125 R CA 1.634 57.632 56.100 -0.169 0.000 0.976 125 R CB -0.287 29.764 30.300 -0.415 0.000 0.870 125 R HN 0.497 nan 8.270 nan 0.000 0.445 126 H N -1.619 117.528 119.070 0.128 0.000 2.926 126 H HA 0.155 4.710 4.556 -0.002 0.000 0.249 126 H C 0.609 176.031 175.328 0.156 0.000 0.963 126 H CA 0.435 56.581 56.048 0.163 0.000 1.158 126 H CB 0.234 30.071 29.762 0.125 0.000 1.445 126 H HN 0.114 nan 8.280 nan 0.000 0.452 127 S N 1.299 116.991 115.700 -0.014 0.000 2.585 127 S HA 0.393 4.862 4.470 -0.002 0.000 0.273 127 S C -0.253 174.206 174.600 -0.236 0.000 1.339 127 S CA -0.430 57.450 58.200 -0.533 0.000 1.028 127 S CB 0.706 63.041 63.200 -1.442 0.000 0.906 127 S HN 0.471 nan 8.310 nan 0.000 0.528 128 Y N -2.480 117.622 120.300 -0.330 0.000 2.765 128 Y HA 0.604 5.153 4.550 -0.002 0.000 0.350 128 Y C -0.895 174.938 175.900 -0.112 0.000 1.196 128 Y CA -0.938 56.985 58.100 -0.295 0.000 1.119 128 Y CB 0.439 38.694 38.460 -0.342 0.000 1.368 128 Y HN 0.884 nan 8.280 nan 0.000 0.463 129 T N 0.084 114.642 114.554 0.006 0.000 2.912 129 T HA 1.012 5.361 4.350 -0.002 0.000 0.288 129 T C -0.480 174.264 174.700 0.074 0.000 1.030 129 T CA -0.140 61.981 62.100 0.034 0.000 1.020 129 T CB 1.785 70.634 68.868 -0.032 0.000 1.056 129 T HN 1.859 nan 8.240 nan 0.000 0.480 130 A N 1.073 123.907 122.820 0.025 0.000 2.586 130 A HA 0.783 5.102 4.320 -0.002 0.000 0.290 130 A C -0.560 176.738 177.584 -0.477 0.000 1.086 130 A CA -0.992 50.909 52.037 -0.228 0.000 0.665 130 A CB 1.092 19.957 19.000 -0.225 0.000 1.279 130 A HN 0.862 nan 8.150 nan 0.000 0.423 131 S N -0.745 114.443 115.700 -0.853 0.000 2.651 131 S HA 0.831 5.300 4.470 -0.002 0.000 0.291 131 S C -1.477 172.444 174.600 -1.130 0.000 1.141 131 S CA -0.095 57.551 58.200 -0.923 0.000 1.027 131 S CB 0.713 63.126 63.200 -1.313 0.000 1.043 131 S HN 0.469 nan 8.310 nan 0.000 0.530 132 Y N -0.084 120.036 120.300 -0.300 0.000 2.504 132 Y HA 0.449 4.998 4.550 -0.002 0.000 0.344 132 Y C -0.595 175.384 175.900 0.131 0.000 1.023 132 Y CA -0.914 57.161 58.100 -0.042 0.000 1.020 132 Y CB 1.839 40.201 38.460 -0.163 0.000 1.282 132 Y HN 0.497 nan 8.280 nan 0.000 0.454 133 D N 2.784 123.430 120.400 0.411 0.000 2.780 133 D HA 0.506 5.144 4.640 -0.002 0.000 0.242 133 D C -0.883 175.590 176.300 0.290 0.000 1.135 133 D CA -0.320 53.887 54.000 0.346 0.000 0.859 133 D CB 2.696 43.781 40.800 0.475 0.000 1.530 133 D HN 0.407 nan 8.370 nan 0.000 0.493 134 I N 2.021 122.750 120.570 0.265 0.000 2.359 134 I HA 0.216 4.384 4.170 -0.002 0.000 0.294 134 I C -0.745 175.634 176.117 0.436 0.000 0.987 134 I CA -0.884 60.614 61.300 0.328 0.000 1.225 134 I CB 1.091 39.225 38.000 0.225 0.000 1.366 134 I HN 0.239 nan 8.210 nan 0.000 0.466 135 Y N 5.668 126.182 120.300 0.358 0.000 2.335 135 Y HA 0.283 4.832 4.550 -0.002 0.000 0.338 135 Y C -0.223 175.862 175.900 0.309 0.000 0.977 135 Y CA -0.977 57.324 58.100 0.335 0.000 1.114 135 Y CB 1.107 39.791 38.460 0.375 0.000 1.182 135 Y HN 0.477 nan 8.280 nan 0.000 0.463 136 D N 6.565 126.784 120.400 -0.301 0.000 2.374 136 D HA 0.083 4.722 4.640 -0.002 0.000 0.240 136 D C 0.873 176.723 176.300 -0.750 0.000 1.229 136 D CA 0.318 54.040 54.000 -0.464 0.000 0.895 136 D CB 0.677 41.300 40.800 -0.295 0.000 1.046 136 D HN 0.872 nan 8.370 nan 0.000 0.498 137 L N 3.388 124.291 121.223 -0.533 0.000 2.127 137 L HA -0.188 4.151 4.340 -0.002 0.000 0.211 137 L C 2.021 178.681 176.870 -0.351 0.000 1.089 137 L CA 0.699 55.326 54.840 -0.354 0.000 0.757 137 L CB -0.287 41.645 42.059 -0.211 0.000 0.899 137 L HN 0.397 nan 8.230 nan 0.000 0.434 138 N N 0.628 119.096 118.700 -0.387 0.000 2.109 138 N HA -0.131 4.608 4.740 -0.002 0.000 0.188 138 N C 1.557 176.921 175.510 -0.244 0.000 1.034 138 N CA 1.236 54.114 53.050 -0.286 0.000 0.846 138 N CB -0.133 38.188 38.487 -0.276 0.000 1.010 138 N HN 0.349 nan 8.380 nan 0.000 0.425 139 K N 1.004 121.241 120.400 -0.270 0.000 2.525 139 K HA 0.161 4.480 4.320 -0.002 0.000 0.192 139 K C -0.100 176.369 176.600 -0.219 0.000 1.029 139 K CA -0.106 56.061 56.287 -0.200 0.000 1.029 139 K CB 0.205 32.608 32.500 -0.163 0.000 0.814 139 K HN 0.112 nan 8.250 nan 0.000 0.503 140 R N 1.559 121.866 120.500 -0.322 0.000 3.266 140 R HA -0.231 4.108 4.340 -0.002 0.000 0.245 140 R C -0.417 175.763 176.300 -0.199 0.000 0.941 140 R CA 0.647 56.578 56.100 -0.281 0.000 0.638 140 R CB -1.535 28.728 30.300 -0.062 0.000 1.019 140 R HN 0.431 nan 8.270 nan 0.000 0.462 141 Q N 0.406 119.961 119.800 -0.408 0.000 2.379 141 Q HA 0.443 4.782 4.340 -0.002 0.000 0.278 141 Q C -1.434 174.570 176.000 0.007 0.000 1.068 141 Q CA -0.983 54.783 55.803 -0.062 0.000 0.816 141 Q CB 1.605 30.323 28.738 -0.035 0.000 1.387 141 Q HN 0.155 nan 8.270 nan 0.000 0.413 142 L N 3.292 124.700 121.223 0.309 0.000 2.371 142 L HA 0.445 4.784 4.340 -0.002 0.000 0.272 142 L C -0.748 176.263 176.870 0.234 0.000 1.124 142 L CA 0.092 55.178 54.840 0.409 0.000 0.816 142 L CB 1.027 43.363 42.059 0.462 0.000 1.129 142 L HN 0.628 nan 8.230 nan 0.000 0.448 143 I N 3.717 124.428 120.570 0.234 0.000 2.352 143 I HA 0.158 4.327 4.170 -0.002 0.000 0.290 143 I C 0.759 176.955 176.117 0.131 0.000 1.036 143 I CA 0.032 61.426 61.300 0.158 0.000 1.336 143 I CB 1.023 39.114 38.000 0.151 0.000 1.407 143 I HN 0.777 nan 8.210 nan 0.000 0.497 144 T N 0.674 115.282 114.554 0.090 0.000 3.085 144 T HA 0.304 4.653 4.350 -0.002 0.000 0.264 144 T C 0.306 175.023 174.700 0.029 0.000 1.019 144 T CA -0.400 61.738 62.100 0.064 0.000 0.910 144 T CB -0.106 68.796 68.868 0.058 0.000 1.059 144 T HN 0.525 nan 8.240 nan 0.000 0.542 145 E N 1.831 122.045 120.200 0.022 0.000 2.195 145 E HA 0.396 4.745 4.350 -0.002 0.000 0.271 145 E C -0.518 176.069 176.600 -0.023 0.000 0.923 145 E CA -0.975 55.423 56.400 -0.002 0.000 0.790 145 E CB 0.896 30.599 29.700 0.004 0.000 1.155 145 E HN 0.056 nan 8.360 nan 0.000 0.402 146 E N 1.650 121.823 120.200 -0.046 0.000 2.228 146 E HA -0.241 4.108 4.350 -0.002 0.000 0.213 146 E C -0.654 175.890 176.600 -0.094 0.000 1.282 146 E CA 0.746 57.102 56.400 -0.073 0.000 0.707 146 E CB -1.212 28.453 29.700 -0.059 0.000 1.150 146 E HN 0.505 nan 8.360 nan 0.000 0.362 147 R N -0.234 120.205 120.500 -0.102 0.000 2.694 147 R HA 0.304 4.643 4.340 -0.002 0.000 0.268 147 R C 1.160 177.315 176.300 -0.242 0.000 1.061 147 R CA -0.447 55.581 56.100 -0.120 0.000 1.133 147 R CB 0.494 30.751 30.300 -0.072 0.000 1.020 147 R HN 0.139 nan 8.270 nan 0.000 0.475 148 I N 4.718 125.112 120.570 -0.294 0.000 2.618 148 I HA 0.006 4.175 4.170 -0.002 0.000 0.284 148 I C -1.429 174.407 176.117 -0.468 0.000 1.146 148 I CA -1.333 59.632 61.300 -0.559 0.000 1.425 148 I CB 0.449 38.125 38.000 -0.539 0.000 1.383 148 I HN 0.341 nan 8.210 nan 0.000 0.562 149 P HA 0.032 nan 4.420 nan 0.000 0.270 149 P C -0.940 176.161 177.300 -0.332 0.000 1.223 149 P CA -0.315 62.430 63.100 -0.591 0.000 0.785 149 P CB 0.508 31.495 31.700 -1.189 0.000 0.923 150 N N 1.300 119.881 118.700 -0.199 0.000 2.444 150 N HA 0.018 4.757 4.740 -0.002 0.000 0.255 150 N C 0.356 175.908 175.510 0.070 0.000 1.255 150 N CA 0.068 53.056 53.050 -0.103 0.000 0.933 150 N CB -0.557 37.875 38.487 -0.092 0.000 1.143 150 N HN 0.429 nan 8.380 nan 0.000 0.453 151 N N -1.717 117.001 118.700 0.029 0.000 2.776 151 N HA -0.159 4.580 4.740 -0.002 0.000 0.249 151 N C -1.056 174.580 175.510 0.210 0.000 1.111 151 N CA 0.570 53.676 53.050 0.092 0.000 0.711 151 N CB -1.347 37.207 38.487 0.112 0.000 1.065 151 N HN 0.447 nan 8.380 nan 0.000 0.556 152 T N 0.317 114.992 114.554 0.202 0.000 2.851 152 T HA 0.087 4.436 4.350 -0.002 0.000 0.298 152 T C 1.447 176.277 174.700 0.216 0.000 0.977 152 T CA -0.031 62.221 62.100 0.254 0.000 1.126 152 T CB 1.238 70.189 68.868 0.139 0.000 0.916 152 T HN 0.176 nan 8.240 nan 0.000 0.529 153 Q N 1.819 121.748 119.800 0.216 0.000 2.212 153 Q HA 0.133 4.472 4.340 -0.002 0.000 0.199 153 Q C 0.181 176.365 176.000 0.308 0.000 0.950 153 Q CA 0.542 56.499 55.803 0.257 0.000 0.863 153 Q CB 0.666 29.532 28.738 0.213 0.000 0.944 153 Q HN 0.703 nan 8.270 nan 0.000 0.465 154 W N -0.515 120.767 121.300 -0.030 0.000 3.419 154 W HA 0.491 5.150 4.660 -0.002 0.000 0.298 154 W C -2.361 174.091 176.519 -0.112 0.000 1.260 154 W CA -0.722 56.559 57.345 -0.106 0.000 1.199 154 W CB 1.178 30.518 29.460 -0.200 0.000 1.349 154 W HN -0.287 nan 8.180 nan 0.000 0.557 155 V N 4.467 123.660 119.914 -1.202 0.000 2.932 155 V HA 0.791 4.910 4.120 -0.002 0.000 0.307 155 V C -1.593 173.815 176.094 -1.144 0.000 1.147 155 V CA -0.039 61.693 62.300 -0.948 0.000 0.951 155 V CB 2.269 33.500 31.823 -0.987 0.000 1.031 155 V HN 0.639 nan 8.190 nan 0.000 0.426 156 T N 5.417 119.631 114.554 -0.565 0.000 2.982 156 T HA 0.529 4.878 4.350 -0.002 0.000 0.321 156 T C -1.344 173.353 174.700 -0.005 0.000 1.229 156 T CA -0.305 61.647 62.100 -0.247 0.000 1.044 156 T CB 0.924 69.880 68.868 0.147 0.000 1.184 156 T HN 0.708 nan 8.240 nan 0.000 0.477 157 W N 2.824 124.145 121.300 0.036 0.000 2.129 157 W HA 0.467 5.126 4.660 -0.002 0.000 0.349 157 W C 1.185 177.558 176.519 -0.243 0.000 1.279 157 W CA -0.530 56.791 57.345 -0.039 0.000 1.306 157 W CB 0.581 30.021 29.460 -0.033 0.000 1.140 157 W HN 0.768 nan 8.180 nan 0.000 0.613 158 S N 0.927 116.412 115.700 -0.358 0.000 2.603 158 S HA 0.175 4.644 4.470 -0.002 0.000 0.268 158 S C -1.902 172.425 174.600 -0.455 0.000 1.317 158 S CA -1.034 56.425 58.200 -1.234 0.000 1.012 158 S CB 1.003 63.383 63.200 -1.367 0.000 0.926 158 S HN 0.251 nan 8.310 nan 0.000 0.539 159 P HA 0.007 nan 4.420 nan 0.000 0.218 159 P C -0.216 177.026 177.300 -0.097 0.000 1.148 159 P CA 0.832 63.874 63.100 -0.097 0.000 0.822 159 P CB 0.068 31.747 31.700 -0.035 0.000 0.784 160 V N -2.864 116.946 119.914 -0.172 0.000 2.962 160 V HA 0.682 4.800 4.120 -0.002 0.000 0.313 160 V C 0.789 176.767 176.094 -0.194 0.000 1.099 160 V CA -0.125 62.092 62.300 -0.138 0.000 0.971 160 V CB 1.047 32.805 31.823 -0.108 0.000 1.028 160 V HN 0.392 nan 8.190 nan 0.000 0.430 161 G N 2.121 110.818 108.800 -0.172 0.000 2.514 161 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.265 161 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.265 161 G C 0.132 174.908 174.900 -0.207 0.000 1.150 161 G CA 0.646 45.588 45.100 -0.263 0.000 0.959 161 G HN 1.926 nan 8.290 nan 0.000 0.556 162 H N -0.743 118.314 119.070 -0.021 0.000 3.204 162 H HA 0.418 4.972 4.556 -0.002 0.000 0.240 162 H C 0.291 175.769 175.328 0.250 0.000 1.259 162 H CA -0.186 55.908 56.048 0.076 0.000 0.991 162 H CB -0.175 29.603 29.762 0.026 0.000 2.583 162 H HN 0.499 nan 8.280 nan 0.000 0.638 163 K N 1.648 122.134 120.400 0.143 0.000 2.219 163 K HA 0.479 4.798 4.320 -0.002 0.000 0.258 163 K C -0.428 176.289 176.600 0.196 0.000 1.008 163 K CA -0.302 56.056 56.287 0.119 0.000 0.928 163 K CB 1.499 33.929 32.500 -0.117 0.000 0.983 163 K HN 0.152 nan 8.250 nan 0.000 0.484 164 L N 0.958 122.317 121.223 0.227 0.000 2.408 164 L HA 0.557 4.896 4.340 -0.002 0.000 0.268 164 L C -1.037 176.021 176.870 0.314 0.000 0.986 164 L CA -0.872 54.057 54.840 0.148 0.000 0.820 164 L CB 2.173 44.159 42.059 -0.122 0.000 1.303 164 L HN 0.689 nan 8.230 nan 0.000 0.411 165 A N 2.697 125.698 122.820 0.302 0.000 2.356 165 A HA 0.840 5.159 4.320 -0.002 0.000 0.310 165 A C -1.583 176.016 177.584 0.024 0.000 1.075 165 A CA -0.377 51.710 52.037 0.083 0.000 0.746 165 A CB 1.146 20.103 19.000 -0.072 0.000 1.221 165 A HN 0.645 nan 8.150 nan 0.000 0.443 166 Y N -0.517 119.740 120.300 -0.071 0.000 2.588 166 Y HA 0.764 5.313 4.550 -0.002 0.000 0.343 166 Y C -1.239 174.677 175.900 0.026 0.000 1.065 166 Y CA -1.663 56.377 58.100 -0.099 0.000 1.038 166 Y CB 1.095 39.432 38.460 -0.206 0.000 1.297 166 Y HN 0.383 nan 8.280 nan 0.000 0.467 167 V N 2.141 122.216 119.914 0.269 0.000 2.448 167 V HA 0.355 4.474 4.120 -0.002 0.000 0.295 167 V C -1.465 174.845 176.094 0.360 0.000 1.025 167 V CA -0.604 61.825 62.300 0.216 0.000 0.859 167 V CB 1.272 33.129 31.823 0.058 0.000 0.988 167 V HN 0.870 nan 8.190 nan 0.000 0.431 168 W N 5.197 126.600 121.300 0.171 0.000 2.900 168 W HA 0.478 5.137 4.660 -0.002 0.000 0.336 168 W C 0.302 176.864 176.519 0.072 0.000 1.064 168 W CA -0.756 56.638 57.345 0.083 0.000 1.237 168 W CB 1.214 30.661 29.460 -0.021 0.000 1.391 168 W HN 0.792 nan 8.180 nan 0.000 0.468 169 N N 5.114 123.437 118.700 -0.630 0.000 2.735 169 N HA -0.330 4.409 4.740 -0.002 0.000 0.248 169 N C -0.039 175.293 175.510 -0.298 0.000 1.083 169 N CA 0.945 53.611 53.050 -0.639 0.000 0.703 169 N CB -0.965 36.874 38.487 -1.079 0.000 1.005 169 N HN 0.728 nan 8.380 nan 0.000 0.550 170 N N -1.452 117.143 118.700 -0.176 0.000 2.828 170 N HA -0.156 4.583 4.740 -0.002 0.000 0.248 170 N C -1.459 173.979 175.510 -0.119 0.000 1.044 170 N CA 1.688 54.657 53.050 -0.135 0.000 0.851 170 N CB -0.473 37.891 38.487 -0.205 0.000 1.136 170 N HN 0.537 nan 8.380 nan 0.000 0.572 171 D N -0.255 120.093 120.400 -0.085 0.000 2.433 171 D HA 0.488 5.127 4.640 -0.002 0.000 0.236 171 D C 0.397 176.572 176.300 -0.208 0.000 1.026 171 D CA -0.464 53.415 54.000 -0.201 0.000 0.884 171 D CB 1.408 42.034 40.800 -0.290 0.000 1.384 171 D HN -0.020 nan 8.370 nan 0.000 0.477 172 I N 1.584 121.862 120.570 -0.486 0.000 2.396 172 I HA 0.237 4.406 4.170 -0.002 0.000 0.292 172 I C -0.691 174.982 176.117 -0.739 0.000 0.999 172 I CA -0.382 60.611 61.300 -0.511 0.000 1.310 172 I CB 0.563 38.158 38.000 -0.675 0.000 1.404 172 I HN 0.165 nan 8.210 nan 0.000 0.496 173 Y N 3.926 123.853 120.300 -0.621 0.000 2.512 173 Y HA 0.645 5.194 4.550 -0.002 0.000 0.348 173 Y C -0.408 175.101 175.900 -0.651 0.000 0.990 173 Y CA -0.921 56.750 58.100 -0.715 0.000 1.033 173 Y CB 2.094 39.884 38.460 -1.117 0.000 1.259 173 Y HN 0.100 nan 8.280 nan 0.000 0.461 174 V N 2.599 122.400 119.914 -0.188 0.000 2.638 174 V HA 0.475 4.594 4.120 -0.002 0.000 0.306 174 V C -1.016 175.179 176.094 0.168 0.000 1.052 174 V CA -1.461 60.832 62.300 -0.012 0.000 0.885 174 V CB 2.059 33.899 31.823 0.029 0.000 0.999 174 V HN 0.618 nan 8.190 nan 0.000 0.424 175 K N 4.607 125.124 120.400 0.195 0.000 2.394 175 K HA 0.512 4.831 4.320 -0.002 0.000 0.260 175 K C 0.345 177.082 176.600 0.228 0.000 0.967 175 K CA -0.751 55.662 56.287 0.210 0.000 0.855 175 K CB 1.988 34.576 32.500 0.147 0.000 1.101 175 K HN 0.402 nan 8.250 nan 0.000 0.433 176 I N 1.063 121.793 120.570 0.267 0.000 2.286 176 I HA -0.089 4.080 4.170 -0.002 0.000 0.245 176 I C 0.418 176.658 176.117 0.206 0.000 1.104 176 I CA 1.513 62.943 61.300 0.216 0.000 1.397 176 I CB -0.231 37.894 38.000 0.210 0.000 1.072 176 I HN 0.584 nan 8.210 nan 0.000 0.417 177 E N 0.940 121.236 120.200 0.161 0.000 2.248 177 E HA 0.252 4.600 4.350 -0.002 0.000 0.267 177 E C -1.762 174.819 176.600 -0.031 0.000 0.877 177 E CA -1.974 54.474 56.400 0.079 0.000 0.759 177 E CB 2.084 31.834 29.700 0.082 0.000 1.182 177 E HN -0.061 nan 8.360 nan 0.000 0.418 178 P HA -0.190 nan 4.420 nan 0.000 0.218 178 P C 0.595 177.831 177.300 -0.106 0.000 1.146 178 P CA 1.404 64.368 63.100 -0.228 0.000 0.813 178 P CB 0.373 31.736 31.700 -0.563 0.000 0.778 179 N N -1.077 117.583 118.700 -0.066 0.000 2.205 179 N HA 0.055 4.794 4.740 -0.002 0.000 0.201 179 N C 0.519 176.023 175.510 -0.010 0.000 1.128 179 N CA -0.034 53.007 53.050 -0.015 0.000 0.867 179 N CB -0.187 38.311 38.487 0.017 0.000 0.996 179 N HN 0.186 nan 8.380 nan 0.000 0.503 180 L N 0.793 122.012 121.223 -0.007 0.000 2.387 180 L HA 0.508 4.846 4.340 -0.002 0.000 0.266 180 L C -2.249 174.598 176.870 -0.039 0.000 1.059 180 L CA -2.125 52.711 54.840 -0.007 0.000 0.801 180 L CB 0.867 42.944 42.059 0.030 0.000 1.223 180 L HN -0.217 nan 8.230 nan 0.000 0.456 181 P HA 0.063 nan 4.420 nan 0.000 0.269 181 P C -0.878 176.293 177.300 -0.215 0.000 1.209 181 P CA -0.001 63.014 63.100 -0.143 0.000 0.776 181 P CB 0.681 32.279 31.700 -0.171 0.000 0.876 182 S N 1.415 117.035 115.700 -0.133 0.000 2.592 182 S HA 0.290 4.759 4.470 -0.002 0.000 0.271 182 S C -0.517 173.964 174.600 -0.200 0.000 1.326 182 S CA -0.035 58.126 58.200 -0.066 0.000 1.024 182 S CB -0.043 63.209 63.200 0.087 0.000 0.921 182 S HN 0.251 nan 8.310 nan 0.000 0.527 183 Y N 1.046 121.356 120.300 0.017 0.000 2.331 183 Y HA 0.406 4.954 4.550 -0.002 0.000 0.338 183 Y C 0.615 176.419 175.900 -0.160 0.000 0.976 183 Y CA -0.671 57.418 58.100 -0.019 0.000 1.137 183 Y CB 0.786 39.239 38.460 -0.013 0.000 1.172 183 Y HN 0.512 nan 8.280 nan 0.000 0.478 184 R N 3.397 123.806 120.500 -0.150 0.000 2.389 184 R HA 0.251 4.590 4.340 -0.002 0.000 0.295 184 R C 0.125 176.034 176.300 -0.653 0.000 1.075 184 R CA -0.026 55.622 56.100 -0.752 0.000 1.005 184 R CB 0.378 30.076 30.300 -1.003 0.000 0.987 184 R HN 0.769 nan 8.270 nan 0.000 0.452 185 I N 1.971 122.079 120.570 -0.771 0.000 3.172 185 I HA 0.021 4.190 4.170 -0.002 0.000 0.278 185 I C 0.872 176.763 176.117 -0.376 0.000 1.174 185 I CA 0.757 61.796 61.300 -0.434 0.000 1.445 185 I CB -0.385 37.337 38.000 -0.462 0.000 1.175 185 I HN 0.676 nan 8.210 nan 0.000 0.447 186 T N -3.782 110.373 114.554 -0.665 0.000 2.907 186 T HA 0.396 4.745 4.350 -0.002 0.000 0.292 186 T C -0.195 174.225 174.700 -0.466 0.000 1.043 186 T CA -0.531 61.365 62.100 -0.339 0.000 1.003 186 T CB 2.210 70.872 68.868 -0.342 0.000 1.084 186 T HN 0.223 nan 8.240 nan 0.000 0.483 187 W N 0.744 121.943 121.300 -0.168 0.000 2.714 187 W HA 0.109 4.768 4.660 -0.002 0.000 0.353 187 W C 1.496 177.965 176.519 -0.083 0.000 0.999 187 W CA -0.000 57.279 57.345 -0.110 0.000 1.629 187 W CB 0.568 29.981 29.460 -0.080 0.000 1.106 187 W HN 0.955 nan 8.180 nan 0.000 0.545 188 T N -2.165 112.439 114.554 0.082 0.000 3.067 188 T HA 0.119 4.468 4.350 -0.002 0.000 0.257 188 T C 1.401 176.096 174.700 -0.009 0.000 1.105 188 T CA 0.380 62.506 62.100 0.043 0.000 1.104 188 T CB -0.145 68.746 68.868 0.038 0.000 0.925 188 T HN -0.022 nan 8.240 nan 0.000 0.498 189 G N 1.421 110.184 108.800 -0.061 0.000 2.163 189 G HA2 0.232 4.191 3.960 -0.002 0.000 0.239 189 G HA3 0.232 4.191 3.960 -0.002 0.000 0.239 189 G C -0.505 174.332 174.900 -0.106 0.000 1.148 189 G CA -0.198 44.841 45.100 -0.102 0.000 0.880 189 G HN 0.604 nan 8.290 nan 0.000 0.466 190 K N 2.009 122.323 120.400 -0.142 0.000 2.616 190 K HA 0.146 4.465 4.320 -0.002 0.000 0.255 190 K C -0.120 176.355 176.600 -0.209 0.000 0.995 190 K CA -0.644 55.561 56.287 -0.136 0.000 0.860 190 K CB 1.382 33.839 32.500 -0.072 0.000 1.264 190 K HN 0.660 nan 8.250 nan 0.000 0.451 191 E N 3.168 123.249 120.200 -0.198 0.000 2.765 191 E HA -0.178 4.171 4.350 -0.002 0.000 0.256 191 E C -0.498 175.997 176.600 -0.176 0.000 0.935 191 E CA 1.119 57.396 56.400 -0.205 0.000 0.954 191 E CB 0.252 29.869 29.700 -0.137 0.000 0.908 191 E HN 0.637 nan 8.360 nan 0.000 0.500 192 D N 2.433 122.700 120.400 -0.222 0.000 3.067 192 D HA -0.246 4.393 4.640 -0.002 0.000 0.216 192 D C 0.555 176.874 176.300 0.032 0.000 1.162 192 D CA 1.285 55.276 54.000 -0.015 0.000 0.960 192 D CB -0.412 40.430 40.800 0.070 0.000 1.129 192 D HN 0.405 nan 8.370 nan 0.000 0.408 193 I N -0.954 119.547 120.570 -0.116 0.000 3.623 193 I HA 0.100 4.268 4.170 -0.002 0.000 0.253 193 I C 0.774 176.949 176.117 0.097 0.000 1.144 193 I CA 0.422 61.746 61.300 0.040 0.000 1.461 193 I CB 0.166 38.175 38.000 0.013 0.000 1.575 193 I HN -0.132 nan 8.210 nan 0.000 0.445 194 I N 1.804 122.350 120.570 -0.041 0.000 2.389 194 I HA 0.259 4.428 4.170 -0.002 0.000 0.288 194 I C -1.249 174.859 176.117 -0.014 0.000 0.999 194 I CA -0.589 60.757 61.300 0.075 0.000 1.129 194 I CB 0.873 38.901 38.000 0.047 0.000 1.288 194 I HN 0.029 nan 8.210 nan 0.000 0.444 195 Y N 4.721 125.106 120.300 0.142 0.000 2.334 195 Y HA 0.405 4.953 4.550 -0.002 0.000 0.336 195 Y C 0.424 176.380 175.900 0.093 0.000 0.960 195 Y CA -0.805 57.376 58.100 0.134 0.000 1.164 195 Y CB 0.993 39.601 38.460 0.246 0.000 1.155 195 Y HN 0.406 nan 8.280 nan 0.000 0.478 196 N N 2.174 120.938 118.700 0.106 0.000 2.444 196 N HA 0.354 5.093 4.740 -0.002 0.000 0.262 196 N C 0.837 176.284 175.510 -0.105 0.000 0.974 196 N CA 0.432 53.477 53.050 -0.008 0.000 0.933 196 N CB 1.866 40.261 38.487 -0.153 0.000 1.137 196 N HN 0.971 nan 8.380 nan 0.000 0.498 197 G N 1.618 110.368 108.800 -0.084 0.000 2.179 197 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.260 197 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.260 197 G C 0.108 174.839 174.900 -0.282 0.000 0.977 197 G CA 0.733 45.707 45.100 -0.210 0.000 0.641 197 G HN 0.662 nan 8.290 nan 0.000 0.533 198 I N -1.857 118.612 120.570 -0.168 0.000 2.865 198 I HA 0.792 4.961 4.170 -0.002 0.000 0.302 198 I C 0.263 176.366 176.117 -0.023 0.000 1.140 198 I CA -0.656 60.438 61.300 -0.345 0.000 1.021 198 I CB 1.985 39.598 38.000 -0.644 0.000 1.233 198 I HN 0.185 nan 8.210 nan 0.000 0.427 199 T N -0.353 114.114 114.554 -0.146 0.000 2.874 199 T HA 0.396 4.745 4.350 -0.002 0.000 0.281 199 T C -0.183 174.307 174.700 -0.350 0.000 0.994 199 T CA -0.599 61.309 62.100 -0.320 0.000 1.015 199 T CB 1.296 70.050 68.868 -0.189 0.000 1.028 199 T HN 0.773 nan 8.240 nan 0.000 0.523 200 D N -0.006 119.949 120.400 -0.743 0.000 2.506 200 D HA 0.061 4.700 4.640 -0.002 0.000 0.272 200 D C 0.982 177.217 176.300 -0.109 0.000 1.214 200 D CA -1.111 52.465 54.000 -0.706 0.000 1.067 200 D CB 0.077 40.386 40.800 -0.818 0.000 1.117 200 D HN 0.702 nan 8.370 nan 0.000 0.578 201 W N 0.166 121.429 121.300 -0.061 0.000 2.315 201 W HA -0.242 4.417 4.660 -0.002 0.000 0.323 201 W C 2.220 178.641 176.519 -0.162 0.000 1.233 201 W CA 2.504 59.801 57.345 -0.079 0.000 1.267 201 W CB -0.542 28.807 29.460 -0.184 0.000 1.160 201 W HN 0.179 nan 8.180 nan 0.000 0.474 202 V N -0.100 119.915 119.914 0.169 0.000 2.407 202 V HA -0.310 3.809 4.120 -0.002 0.000 0.248 202 V C 1.888 177.825 176.094 -0.262 0.000 1.055 202 V CA 2.085 64.359 62.300 -0.043 0.000 1.049 202 V CB -0.757 31.030 31.823 -0.060 0.000 0.662 202 V HN 0.327 nan 8.190 nan 0.000 0.455 203 Y N 0.516 120.650 120.300 -0.277 0.000 2.314 203 Y HA -0.156 4.393 4.550 -0.002 0.000 0.293 203 Y C 2.568 178.384 175.900 -0.140 0.000 1.129 203 Y CA 2.042 59.992 58.100 -0.249 0.000 1.201 203 Y CB -0.024 38.140 38.460 -0.494 0.000 0.999 203 Y HN 0.409 nan 8.280 nan 0.000 0.541 204 E N 0.337 120.506 120.200 -0.052 0.000 2.047 204 E HA -0.276 4.073 4.350 -0.002 0.000 0.191 204 E C 2.003 178.566 176.600 -0.063 0.000 0.987 204 E CA 1.535 57.933 56.400 -0.002 0.000 0.799 204 E CB -0.007 29.696 29.700 0.005 0.000 0.752 204 E HN 0.393 nan 8.360 nan 0.000 0.449 205 E N 0.357 120.327 120.200 -0.383 0.000 2.051 205 E HA -0.147 4.201 4.350 -0.002 0.000 0.189 205 E C 1.715 178.197 176.600 -0.197 0.000 0.979 205 E CA 1.561 57.722 56.400 -0.397 0.000 0.803 205 E CB 0.118 29.223 29.700 -0.992 0.000 0.761 205 E HN 0.240 nan 8.360 nan 0.000 0.451 206 E N -0.626 119.435 120.200 -0.231 0.000 2.415 206 E HA 0.078 4.427 4.350 -0.002 0.000 0.197 206 E C 1.779 178.254 176.600 -0.207 0.000 1.007 206 E CA 0.376 56.689 56.400 -0.145 0.000 0.890 206 E CB 0.886 30.503 29.700 -0.139 0.000 0.891 206 E HN 0.209 nan 8.360 nan 0.000 0.496 207 V N -0.640 119.115 119.914 -0.265 0.000 2.721 207 V HA 0.072 4.191 4.120 -0.002 0.000 0.236 207 V C 1.438 177.320 176.094 -0.355 0.000 1.116 207 V CA 0.731 62.801 62.300 -0.384 0.000 1.148 207 V CB -0.247 31.239 31.823 -0.560 0.000 0.886 207 V HN 0.041 nan 8.190 nan 0.000 0.490 208 F N 0.304 120.277 119.950 0.040 0.000 2.721 208 F HA 0.272 4.798 4.527 -0.002 0.000 0.301 208 F C 1.544 177.330 175.800 -0.023 0.000 1.096 208 F CA 0.466 58.507 58.000 0.068 0.000 1.308 208 F CB 0.124 39.212 39.000 0.147 0.000 1.086 208 F HN 0.045 nan 8.300 nan 0.000 0.587 209 S N 0.608 116.353 115.700 0.075 0.000 3.581 209 S HA -0.076 4.393 4.470 -0.002 0.000 0.354 209 S C 0.037 174.324 174.600 -0.522 0.000 1.059 209 S CA 0.408 58.551 58.200 -0.096 0.000 1.060 209 S CB -1.678 61.495 63.200 -0.044 0.000 0.908 209 S HN 0.608 nan 8.310 nan 0.000 0.475 210 A N -0.690 122.018 122.820 -0.188 0.000 2.612 210 A HA 0.713 5.032 4.320 -0.002 0.000 0.293 210 A C -0.329 177.240 177.584 -0.026 0.000 1.075 210 A CA -0.477 51.436 52.037 -0.206 0.000 0.680 210 A CB 0.397 19.293 19.000 -0.174 0.000 1.279 210 A HN 0.336 nan 8.150 nan 0.000 0.411 211 Y N 1.745 121.894 120.300 -0.252 0.000 2.448 211 Y HA 0.149 4.698 4.550 -0.002 0.000 0.289 211 Y C 1.517 177.120 175.900 -0.495 0.000 1.114 211 Y CA 0.765 58.716 58.100 -0.249 0.000 1.235 211 Y CB 0.008 38.373 38.460 -0.158 0.000 1.045 211 Y HN 0.740 nan 8.280 nan 0.000 0.554 212 S N 0.596 115.749 115.700 -0.911 0.000 2.564 212 S HA 0.509 4.978 4.470 -0.002 0.000 0.278 212 S C 0.319 174.351 174.600 -0.948 0.000 1.333 212 S CA -0.124 57.290 58.200 -1.309 0.000 1.048 212 S CB 1.430 63.447 63.200 -1.971 0.000 0.900 212 S HN 0.453 nan 8.310 nan 0.000 0.505 213 A N 2.338 124.608 122.820 -0.917 0.000 2.806 213 A HA 0.535 4.854 4.320 -0.002 0.000 0.266 213 A C -0.486 176.415 177.584 -1.139 0.000 0.926 213 A CA -0.710 50.736 52.037 -0.984 0.000 1.068 213 A CB -0.548 18.293 19.000 -0.265 0.000 1.189 213 A HN 1.090 nan 8.150 nan 0.000 0.481 214 L N -4.791 115.614 121.223 -1.362 0.000 2.422 214 L HA 0.905 5.244 4.340 -0.002 0.000 0.264 214 L C -1.300 175.093 176.870 -0.795 0.000 0.984 214 L CA -1.131 53.259 54.840 -0.750 0.000 0.819 214 L CB 1.121 42.949 42.059 -0.385 0.000 1.330 214 L HN 0.216 nan 8.230 nan 0.000 0.410 215 W N 1.893 123.252 121.300 0.099 0.000 2.687 215 W HA 0.326 4.985 4.660 -0.002 0.000 0.328 215 W C -1.437 175.321 176.519 0.398 0.000 1.012 215 W CA -0.760 56.761 57.345 0.293 0.000 1.262 215 W CB 1.519 31.204 29.460 0.375 0.000 1.331 215 W HN 0.620 nan 8.180 nan 0.000 0.433 216 W N 2.359 123.870 121.300 0.351 0.000 2.170 216 W HA 0.214 4.873 4.660 -0.002 0.000 0.336 216 W C 1.317 177.677 176.519 -0.264 0.000 1.283 216 W CA 0.386 57.800 57.345 0.116 0.000 1.224 216 W CB 0.771 30.270 29.460 0.065 0.000 1.132 216 W HN 0.183 nan 8.180 nan 0.000 0.571 217 S N 2.238 117.695 115.700 -0.404 0.000 2.614 217 S HA 0.226 4.695 4.470 -0.002 0.000 0.265 217 S C -1.791 172.539 174.600 -0.449 0.000 1.303 217 S CA -1.039 56.345 58.200 -1.360 0.000 1.000 217 S CB 1.098 63.551 63.200 -1.244 0.000 0.935 217 S HN 0.273 nan 8.310 nan 0.000 0.551 218 P HA -0.200 nan 4.420 nan 0.000 0.217 218 P C 0.885 178.144 177.300 -0.067 0.000 1.162 218 P CA 1.879 64.931 63.100 -0.080 0.000 0.901 218 P CB -0.223 31.475 31.700 -0.004 0.000 0.793 219 N N -2.073 116.579 118.700 -0.081 0.000 2.268 219 N HA 0.132 4.871 4.740 -0.002 0.000 0.204 219 N C 1.040 176.478 175.510 -0.120 0.000 1.124 219 N CA 0.556 53.557 53.050 -0.081 0.000 0.838 219 N CB -0.762 37.691 38.487 -0.056 0.000 0.994 219 N HN 0.223 nan 8.380 nan 0.000 0.489 220 G N -1.087 107.647 108.800 -0.110 0.000 2.159 220 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.256 220 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.256 220 G C 0.945 175.882 174.900 0.062 0.000 0.977 220 G CA 0.764 45.816 45.100 -0.080 0.000 0.652 220 G HN 0.380 nan 8.290 nan 0.000 0.531 221 T N -0.035 114.478 114.554 -0.069 0.000 2.701 221 T HA 0.198 4.547 4.350 -0.002 0.000 0.263 221 T C 0.966 175.534 174.700 -0.220 0.000 1.040 221 T CA 1.248 63.212 62.100 -0.228 0.000 1.147 221 T CB -0.093 68.483 68.868 -0.486 0.000 0.865 221 T HN 0.328 nan 8.240 nan 0.000 0.426 222 F N 0.454 120.432 119.950 0.047 0.000 2.397 222 F HA 0.599 5.125 4.527 -0.002 0.000 0.331 222 F C -0.205 175.658 175.800 0.105 0.000 1.090 222 F CA -1.376 56.685 58.000 0.102 0.000 1.065 222 F CB 1.065 40.196 39.000 0.218 0.000 1.184 222 F HN -0.074 nan 8.300 nan 0.000 0.499 223 L N 2.847 124.223 121.223 0.255 0.000 2.342 223 L HA 0.773 5.111 4.340 -0.002 0.000 0.276 223 L C -0.641 176.326 176.870 0.162 0.000 0.997 223 L CA -0.526 54.292 54.840 -0.036 0.000 0.838 223 L CB 0.731 42.503 42.059 -0.478 0.000 1.224 223 L HN 0.660 nan 8.230 nan 0.000 0.416 224 A N 4.602 127.594 122.820 0.286 0.000 2.295 224 A HA 0.848 5.167 4.320 -0.002 0.000 0.318 224 A C -1.426 176.258 177.584 0.166 0.000 1.134 224 A CA -0.237 51.851 52.037 0.085 0.000 0.827 224 A CB 0.760 19.861 19.000 0.168 0.000 1.136 224 A HN 0.931 nan 8.150 nan 0.000 0.493 225 Y N -2.377 117.749 120.300 -0.289 0.000 2.641 225 Y HA 0.728 5.277 4.550 -0.002 0.000 0.333 225 Y C -0.431 175.393 175.900 -0.127 0.000 1.174 225 Y CA -0.893 57.146 58.100 -0.103 0.000 1.057 225 Y CB 0.738 39.082 38.460 -0.194 0.000 1.322 225 Y HN 0.980 nan 8.280 nan 0.000 0.457 226 A N 1.964 124.891 122.820 0.180 0.000 2.320 226 A HA 0.713 5.032 4.320 -0.002 0.000 0.334 226 A C -1.195 176.262 177.584 -0.211 0.000 1.147 226 A CA -0.836 51.151 52.037 -0.084 0.000 0.820 226 A CB 1.768 20.656 19.000 -0.187 0.000 1.218 226 A HN 0.803 nan 8.150 nan 0.000 0.482 227 Q N 1.242 120.831 119.800 -0.351 0.000 2.310 227 Q HA 0.582 4.921 4.340 -0.002 0.000 0.270 227 Q C -2.080 173.692 176.000 -0.380 0.000 1.025 227 Q CA -0.313 55.394 55.803 -0.161 0.000 0.772 227 Q CB 1.024 29.895 28.738 0.222 0.000 1.253 227 Q HN 0.612 nan 8.270 nan 0.000 0.450 228 F N 2.343 122.378 119.950 0.141 0.000 2.443 228 F HA 0.421 4.947 4.527 -0.002 0.000 0.335 228 F C 0.505 176.445 175.800 0.233 0.000 1.104 228 F CA -0.917 57.147 58.000 0.107 0.000 1.013 228 F CB 1.318 40.283 39.000 -0.058 0.000 1.136 228 F HN 0.427 nan 8.300 nan 0.000 0.470 229 N N 2.000 120.914 118.700 0.356 0.000 2.476 229 N HA 0.213 4.952 4.740 -0.002 0.000 0.257 229 N C -0.951 174.732 175.510 0.288 0.000 0.970 229 N CA -0.332 52.892 53.050 0.290 0.000 0.938 229 N CB 1.110 39.716 38.487 0.199 0.000 1.144 229 N HN 0.579 nan 8.380 nan 0.000 0.500 230 D N 1.441 122.033 120.400 0.319 0.000 2.424 230 D HA 0.130 4.769 4.640 -0.002 0.000 0.220 230 D C 1.207 177.626 176.300 0.198 0.000 1.150 230 D CA 0.085 54.250 54.000 0.275 0.000 0.831 230 D CB 0.558 41.575 40.800 0.360 0.000 0.981 230 D HN 0.464 nan 8.370 nan 0.000 0.500 231 T N 0.457 115.109 114.554 0.164 0.000 2.649 231 T HA -0.236 4.112 4.350 -0.002 0.000 0.268 231 T C 1.298 176.056 174.700 0.096 0.000 1.036 231 T CA 1.419 63.587 62.100 0.115 0.000 1.157 231 T CB -0.067 68.858 68.868 0.095 0.000 0.861 231 T HN 0.333 nan 8.240 nan 0.000 0.445 232 E N 0.190 120.448 120.200 0.098 0.000 2.501 232 E HA 0.188 4.537 4.350 -0.002 0.000 0.200 232 E C -0.459 176.192 176.600 0.085 0.000 1.016 232 E CA -0.248 56.199 56.400 0.079 0.000 0.921 232 E CB 0.644 30.384 29.700 0.067 0.000 1.034 232 E HN 0.205 nan 8.360 nan 0.000 0.468 233 V N 3.502 123.481 119.914 0.108 0.000 2.508 233 V HA 0.100 4.219 4.120 -0.002 0.000 0.281 233 V C -1.987 174.164 176.094 0.096 0.000 1.041 233 V CA -1.487 60.880 62.300 0.112 0.000 1.016 233 V CB 0.430 32.339 31.823 0.143 0.000 0.984 233 V HN 0.038 nan 8.190 nan 0.000 0.478 234 P HA 0.245 nan 4.420 nan 0.000 0.270 234 P C -0.759 176.576 177.300 0.058 0.000 1.223 234 P CA -0.197 62.939 63.100 0.059 0.000 0.785 234 P CB 0.500 32.232 31.700 0.054 0.000 0.923 235 L N 1.952 123.185 121.223 0.016 0.000 2.317 235 L HA 0.474 4.813 4.340 -0.002 0.000 0.281 235 L C 0.204 177.014 176.870 -0.101 0.000 1.024 235 L CA -1.017 53.812 54.840 -0.019 0.000 0.810 235 L CB 1.237 43.280 42.059 -0.026 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.380 122.836 120.570 -0.190 0.000 2.396 236 I HA 0.282 4.451 4.170 -0.002 0.000 0.292 236 I C -0.377 175.564 176.117 -0.294 0.000 0.999 236 I CA 0.250 61.332 61.300 -0.362 0.000 1.310 236 I CB 0.937 38.453 38.000 -0.807 0.000 1.404 236 I HN 0.577 nan 8.210 nan 0.000 0.496 237 E N 7.006 127.058 120.200 -0.247 0.000 2.248 237 E HA 0.548 4.897 4.350 -0.002 0.000 0.267 237 E C -1.823 174.685 176.600 -0.153 0.000 0.877 237 E CA -0.598 55.651 56.400 -0.252 0.000 0.759 237 E CB 2.195 31.791 29.700 -0.174 0.000 1.182 237 E HN 0.555 nan 8.360 nan 0.000 0.418 238 Y N -1.859 118.349 120.300 -0.153 0.000 2.624 238 Y HA 0.522 5.071 4.550 -0.002 0.000 0.334 238 Y C -0.827 174.996 175.900 -0.128 0.000 1.155 238 Y CA -1.258 56.757 58.100 -0.141 0.000 1.046 238 Y CB 0.659 39.038 38.460 -0.136 0.000 1.316 238 Y HN 0.224 nan 8.280 nan 0.000 0.457 239 S N 1.781 117.478 115.700 -0.005 0.000 2.584 239 S HA 0.529 4.998 4.470 -0.002 0.000 0.273 239 S C -1.424 173.035 174.600 -0.235 0.000 1.311 239 S CA -0.334 57.724 58.200 -0.237 0.000 1.034 239 S CB 0.510 63.416 63.200 -0.490 0.000 0.939 239 S HN 0.533 nan 8.310 nan 0.000 0.513 240 F N 2.081 121.767 119.950 -0.440 0.000 2.499 240 F HA 0.437 4.963 4.527 -0.002 0.000 0.333 240 F C -0.377 175.190 175.800 -0.387 0.000 1.138 240 F CA -0.972 56.858 58.000 -0.285 0.000 0.945 240 F CB 0.785 39.750 39.000 -0.059 0.000 1.181 240 F HN 0.619 nan 8.300 nan 0.000 0.435 241 Y N 2.668 122.744 120.300 -0.373 0.000 2.420 241 Y HA 0.126 4.675 4.550 -0.002 0.000 0.292 241 Y C 1.719 177.508 175.900 -0.185 0.000 1.119 241 Y CA 1.080 59.047 58.100 -0.221 0.000 1.229 241 Y CB -0.716 37.615 38.460 -0.215 0.000 1.026 241 Y HN 0.717 nan 8.280 nan 0.000 0.554 242 S N -0.265 115.265 115.700 -0.284 0.000 3.513 242 S HA -0.220 4.249 4.470 -0.002 0.000 0.636 242 S C -0.522 174.094 174.600 0.027 0.000 2.452 242 S CA 0.190 58.389 58.200 -0.002 0.000 2.644 242 S CB -1.087 62.242 63.200 0.214 0.000 0.331 242 S HN 0.458 nan 8.310 nan 0.000 1.787 243 D N 1.609 122.054 120.400 0.074 0.000 2.419 243 D HA 0.122 4.761 4.640 -0.002 0.000 0.236 243 D C 1.407 177.731 176.300 0.039 0.000 1.165 243 D CA 0.583 54.614 54.000 0.052 0.000 0.882 243 D CB 0.184 41.019 40.800 0.059 0.000 1.201 243 D HN 0.649 nan 8.370 nan 0.000 0.443 244 E N 0.706 120.919 120.200 0.022 0.000 2.233 244 E HA -0.257 4.091 4.350 -0.002 0.000 0.199 244 E C 1.457 178.066 176.600 0.015 0.000 1.004 244 E CA 1.497 57.903 56.400 0.010 0.000 0.819 244 E CB 0.133 29.833 29.700 0.000 0.000 0.738 244 E HN 0.450 nan 8.360 nan 0.000 0.478 245 S N 0.166 115.881 115.700 0.025 0.000 2.447 245 S HA -0.140 4.329 4.470 -0.002 0.000 0.233 245 S C 0.934 175.556 174.600 0.037 0.000 1.006 245 S CA 0.084 58.301 58.200 0.027 0.000 0.957 245 S CB -0.227 62.992 63.200 0.032 0.000 0.773 245 S HN 0.254 nan 8.310 nan 0.000 0.507 246 L N 2.601 123.855 121.223 0.051 0.000 2.433 246 L HA 0.263 4.602 4.340 -0.002 0.000 0.275 246 L C 1.416 178.317 176.870 0.052 0.000 1.128 246 L CA 0.134 55.015 54.840 0.069 0.000 0.875 246 L CB 0.530 42.644 42.059 0.092 0.000 1.171 246 L HN 0.285 nan 8.230 nan 0.000 0.463 247 Q N 3.977 123.811 119.800 0.056 0.000 2.079 247 Q HA -0.090 4.249 4.340 -0.002 0.000 0.200 247 Q C -0.494 175.433 176.000 -0.122 0.000 0.974 247 Q CA 1.320 57.106 55.803 -0.028 0.000 0.840 247 Q CB 0.117 28.857 28.738 0.004 0.000 0.898 247 Q HN 0.666 nan 8.270 nan 0.000 0.430 248 Y N 0.637 120.951 120.300 0.023 0.000 2.352 248 Y HA 0.393 4.942 4.550 -0.002 0.000 0.339 248 Y C -2.052 173.861 175.900 0.021 0.000 0.992 248 Y CA -2.902 55.209 58.100 0.019 0.000 1.100 248 Y CB 1.350 39.813 38.460 0.005 0.000 1.192 248 Y HN 0.148 nan 8.280 nan 0.000 0.458 249 P HA 0.037 nan 4.420 nan 0.000 0.269 249 P C -0.795 176.523 177.300 0.030 0.000 1.209 249 P CA -0.454 62.675 63.100 0.049 0.000 0.776 249 P CB 0.663 32.356 31.700 -0.011 0.000 0.876 250 K N 1.274 121.676 120.400 0.004 0.000 2.143 250 K HA 0.342 4.661 4.320 -0.002 0.000 0.272 250 K C -0.723 175.844 176.600 -0.055 0.000 1.001 250 K CA -0.323 55.968 56.287 0.008 0.000 0.915 250 K CB 0.534 33.070 32.500 0.061 0.000 1.047 250 K HN 0.308 nan 8.250 nan 0.000 0.458 251 T N 3.250 117.755 114.554 -0.081 0.000 2.753 251 T HA 0.211 4.560 4.350 -0.002 0.000 0.297 251 T C -0.597 173.987 174.700 -0.194 0.000 0.981 251 T CA -0.600 61.416 62.100 -0.140 0.000 0.956 251 T CB 0.885 69.681 68.868 -0.120 0.000 0.936 251 T HN 0.303 nan 8.240 nan 0.000 0.463 252 V N 5.784 125.500 119.914 -0.330 0.000 2.530 252 V HA 0.389 4.508 4.120 -0.002 0.000 0.282 252 V C 0.497 176.313 176.094 -0.462 0.000 1.048 252 V CA -0.373 61.678 62.300 -0.415 0.000 0.997 252 V CB 0.664 32.119 31.823 -0.615 0.000 0.987 252 V HN 0.707 nan 8.190 nan 0.000 0.477 253 R N 3.582 123.936 120.500 -0.243 0.000 2.513 253 R HA 0.765 5.104 4.340 -0.002 0.000 0.301 253 R C -1.708 174.561 176.300 -0.052 0.000 0.968 253 R CA -0.643 55.354 56.100 -0.171 0.000 0.872 253 R CB 2.286 32.524 30.300 -0.104 0.000 1.177 253 R HN 0.497 nan 8.270 nan 0.000 0.444 254 V N 3.762 123.644 119.914 -0.053 0.000 2.623 254 V HA 0.312 4.431 4.120 -0.002 0.000 0.304 254 V C -2.440 173.700 176.094 0.078 0.000 1.054 254 V CA -2.362 59.979 62.300 0.069 0.000 0.882 254 V CB 2.308 34.141 31.823 0.016 0.000 1.002 254 V HN 0.624 nan 8.190 nan 0.000 0.424 255 P HA 0.159 nan 4.420 nan 0.000 0.264 255 P C -1.374 176.040 177.300 0.190 0.000 1.229 255 P CA 0.376 63.586 63.100 0.183 0.000 0.780 255 P CB -0.211 31.645 31.700 0.260 0.000 0.808 256 Y N 6.619 126.899 120.300 -0.033 0.000 2.307 256 Y HA 0.372 4.921 4.550 -0.002 0.000 0.323 256 Y C -2.768 173.103 175.900 -0.049 0.000 1.100 256 Y CA -2.921 55.113 58.100 -0.110 0.000 1.140 256 Y CB 1.786 40.051 38.460 -0.325 0.000 1.159 256 Y HN 0.276 nan 8.280 nan 0.000 0.436 257 P HA 0.261 nan 4.420 nan 0.000 0.287 257 P C -0.892 176.483 177.300 0.124 0.000 1.307 257 P CA -0.204 62.956 63.100 0.100 0.000 0.777 257 P CB 1.563 33.298 31.700 0.059 0.000 0.883 258 K N 2.030 122.564 120.400 0.223 0.000 2.117 258 K HA 0.513 4.832 4.320 -0.002 0.000 0.240 258 K C 0.543 177.240 176.600 0.162 0.000 1.031 258 K CA -0.751 55.681 56.287 0.241 0.000 0.909 258 K CB 0.491 33.133 32.500 0.238 0.000 1.097 258 K HN 0.448 nan 8.250 nan 0.000 0.492 259 A N 0.630 123.565 122.820 0.191 0.000 2.561 259 A HA 0.283 4.602 4.320 -0.002 0.000 0.251 259 A C 1.135 178.742 177.584 0.039 0.000 1.062 259 A CA 1.019 53.149 52.037 0.154 0.000 0.761 259 A CB -1.315 17.835 19.000 0.250 0.000 0.986 259 A HN 0.885 nan 8.150 nan 0.000 0.510 260 G N 0.954 109.777 108.800 0.037 0.000 2.179 260 G HA2 0.104 4.063 3.960 -0.002 0.000 0.260 260 G HA3 0.104 4.063 3.960 -0.002 0.000 0.260 260 G C 0.666 175.578 174.900 0.021 0.000 0.977 260 G CA 0.742 45.842 45.100 -0.000 0.000 0.641 260 G HN 2.140 nan 8.290 nan 0.000 0.533 261 A N -0.473 122.376 122.820 0.048 0.000 2.249 261 A HA 0.761 5.080 4.320 -0.002 0.000 0.281 261 A C 0.831 178.449 177.584 0.057 0.000 1.127 261 A CA 0.286 52.356 52.037 0.054 0.000 0.833 261 A CB 0.660 19.706 19.000 0.076 0.000 1.140 261 A HN 1.137 nan 8.150 nan 0.000 0.502 262 V N 1.886 121.835 119.914 0.058 0.000 2.529 262 V HA 0.017 4.136 4.120 -0.002 0.000 0.292 262 V C 0.621 176.764 176.094 0.082 0.000 1.028 262 V CA 0.266 62.602 62.300 0.061 0.000 1.074 262 V CB -0.319 31.540 31.823 0.060 0.000 0.958 262 V HN 0.854 nan 8.190 nan 0.000 0.481 263 N N 6.035 124.785 118.700 0.084 0.000 2.476 263 N HA 0.432 5.171 4.740 -0.002 0.000 0.275 263 N C -2.431 173.169 175.510 0.151 0.000 1.190 263 N CA -1.261 51.862 53.050 0.123 0.000 0.977 263 N CB 1.248 39.807 38.487 0.121 0.000 1.200 263 N HN 0.472 nan 8.380 nan 0.000 0.515 264 P HA 0.078 nan 4.420 nan 0.000 0.276 264 P C -0.810 176.651 177.300 0.269 0.000 1.244 264 P CA -0.217 63.041 63.100 0.263 0.000 0.801 264 P CB 0.807 32.706 31.700 0.330 0.000 1.006 265 T N -1.797 112.893 114.554 0.227 0.000 2.944 265 T HA 0.597 4.946 4.350 -0.002 0.000 0.284 265 T C -0.219 174.614 174.700 0.220 0.000 1.010 265 T CA -0.815 61.378 62.100 0.156 0.000 1.025 265 T CB 1.443 70.372 68.868 0.101 0.000 1.079 265 T HN 0.363 nan 8.240 nan 0.000 0.516 266 V N 0.194 120.209 119.914 0.167 0.000 3.007 266 V HA 0.764 4.883 4.120 -0.002 0.000 0.311 266 V C -1.608 174.556 176.094 0.118 0.000 1.120 266 V CA -0.884 61.477 62.300 0.101 0.000 0.980 266 V CB 2.149 34.058 31.823 0.144 0.000 1.033 266 V HN 1.063 nan 8.190 nan 0.000 0.429 267 K N 3.924 124.323 120.400 -0.002 0.000 2.443 267 K HA 0.591 4.910 4.320 -0.002 0.000 0.251 267 K C -1.995 174.500 176.600 -0.174 0.000 0.972 267 K CA -0.518 55.733 56.287 -0.060 0.000 0.833 267 K CB 2.795 35.235 32.500 -0.101 0.000 1.317 267 K HN 0.554 nan 8.250 nan 0.000 0.441 268 F N 2.012 121.633 119.950 -0.549 0.000 2.540 268 F HA 0.583 5.109 4.527 -0.002 0.000 0.317 268 F C -1.529 173.721 175.800 -0.917 0.000 1.104 268 F CA -0.707 56.961 58.000 -0.554 0.000 0.913 268 F CB 0.899 39.705 39.000 -0.324 0.000 1.170 268 F HN 0.393 nan 8.300 nan 0.000 0.450 269 F N 3.781 122.970 119.950 -1.268 0.000 2.613 269 F HA 0.767 5.293 4.527 -0.002 0.000 0.314 269 F C -1.027 174.090 175.800 -1.139 0.000 1.075 269 F CA -1.206 56.162 58.000 -1.053 0.000 0.945 269 F CB 2.143 40.470 39.000 -1.121 0.000 1.310 269 F HN 0.138 nan 8.300 nan 0.000 0.467 270 V N 2.417 122.092 119.914 -0.399 0.000 2.623 270 V HA 0.619 4.738 4.120 -0.002 0.000 0.304 270 V C -1.223 174.938 176.094 0.112 0.000 1.054 270 V CA -0.802 61.347 62.300 -0.250 0.000 0.882 270 V CB 1.984 33.461 31.823 -0.576 0.000 1.002 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 4.160 124.212 119.914 0.231 0.000 2.680 271 V HA 0.590 4.709 4.120 -0.002 0.000 0.309 271 V C -0.412 175.890 176.094 0.346 0.000 1.052 271 V CA -0.624 61.842 62.300 0.276 0.000 0.908 271 V CB 2.221 34.155 31.823 0.185 0.000 1.001 271 V HN 0.924 nan 8.190 nan 0.000 0.431 272 N N 3.500 122.381 118.700 0.302 0.000 2.439 272 N HA 0.110 4.849 4.740 -0.002 0.000 0.243 272 N C 1.160 176.665 175.510 -0.009 0.000 1.088 272 N CA 0.574 53.691 53.050 0.112 0.000 0.940 272 N CB 1.547 40.067 38.487 0.055 0.000 1.180 272 N HN 0.916 nan 8.380 nan 0.000 0.505 273 T N -0.073 114.469 114.554 -0.020 0.000 2.962 273 T HA -0.073 4.276 4.350 -0.002 0.000 0.270 273 T C 0.878 175.526 174.700 -0.087 0.000 1.088 273 T CA 0.867 62.951 62.100 -0.026 0.000 1.127 273 T CB 0.069 69.011 68.868 0.124 0.000 0.883 273 T HN 0.242 nan 8.240 nan 0.000 0.493 274 D N 1.803 122.134 120.400 -0.116 0.000 2.310 274 D HA -0.017 4.622 4.640 -0.002 0.000 0.212 274 D C 2.223 178.459 176.300 -0.108 0.000 0.965 274 D CA 1.249 55.179 54.000 -0.117 0.000 0.879 274 D CB -0.149 40.562 40.800 -0.148 0.000 0.921 274 D HN 0.699 nan 8.370 nan 0.000 0.510 275 S N -0.823 114.815 115.700 -0.102 0.000 2.535 275 S HA 0.104 4.572 4.470 -0.002 0.000 0.214 275 S C 2.003 176.534 174.600 -0.116 0.000 0.980 275 S CA -0.254 57.903 58.200 -0.073 0.000 0.907 275 S CB -0.150 63.038 63.200 -0.020 0.000 0.790 275 S HN 0.151 nan 8.310 nan 0.000 0.510 276 L N 2.418 123.503 121.223 -0.230 0.000 2.013 276 L HA -0.123 4.216 4.340 -0.002 0.000 0.212 276 L C 2.911 179.517 176.870 -0.441 0.000 1.073 276 L CA 1.734 56.304 54.840 -0.449 0.000 0.753 276 L CB -0.847 40.678 42.059 -0.890 0.000 0.890 276 L HN 0.600 nan 8.230 nan 0.000 0.432 277 S N -2.537 112.964 115.700 -0.332 0.000 2.607 277 S HA -0.002 4.466 4.470 -0.002 0.000 0.224 277 S C 1.664 176.284 174.600 0.032 0.000 0.969 277 S CA 0.724 58.905 58.200 -0.032 0.000 0.927 277 S CB 0.197 63.424 63.200 0.045 0.000 0.772 277 S HN 0.279 nan 8.310 nan 0.000 0.533 278 S N 0.521 116.216 115.700 -0.008 0.000 2.506 278 S HA 0.335 4.804 4.470 -0.002 0.000 0.219 278 S C 0.522 175.141 174.600 0.031 0.000 1.031 278 S CA 0.133 58.344 58.200 0.018 0.000 0.911 278 S CB 0.645 63.848 63.200 0.005 0.000 0.812 278 S HN 0.647 nan 8.310 nan 0.000 0.497 279 V N 0.351 120.281 119.914 0.028 0.000 2.864 279 V HA 0.586 4.705 4.120 -0.002 0.000 0.314 279 V C 1.235 177.373 176.094 0.072 0.000 1.073 279 V CA -0.335 61.991 62.300 0.043 0.000 0.956 279 V CB 1.102 32.947 31.823 0.036 0.000 1.023 279 V HN 0.261 nan 8.190 nan 0.000 0.435 280 T N -0.964 113.633 114.554 0.072 0.000 2.867 280 T HA -0.041 4.308 4.350 -0.002 0.000 0.268 280 T C 0.780 175.549 174.700 0.114 0.000 1.057 280 T CA 1.749 63.905 62.100 0.093 0.000 1.136 280 T CB -0.384 68.517 68.868 0.056 0.000 0.874 280 T HN 0.834 nan 8.240 nan 0.000 0.466 281 N N 0.978 119.726 118.700 0.079 0.000 2.685 281 N HA 0.504 5.243 4.740 -0.002 0.000 0.252 281 N C -0.955 174.600 175.510 0.076 0.000 1.261 281 N CA -0.197 52.907 53.050 0.089 0.000 0.768 281 N CB 1.086 39.569 38.487 -0.006 0.000 1.304 281 N HN 0.542 nan 8.380 nan 0.000 0.536 282 A N 1.711 124.581 122.820 0.084 0.000 2.546 282 A HA 0.270 4.589 4.320 -0.002 0.000 0.243 282 A C 0.414 178.055 177.584 0.094 0.000 1.063 282 A CA 0.423 52.504 52.037 0.072 0.000 0.757 282 A CB -0.239 18.786 19.000 0.042 0.000 0.991 282 A HN 0.522 nan 8.150 nan 0.000 0.503 283 T N 2.823 117.439 114.554 0.103 0.000 2.884 283 T HA 0.289 4.638 4.350 -0.002 0.000 0.298 283 T C 0.498 175.290 174.700 0.153 0.000 0.998 283 T CA 0.169 62.338 62.100 0.115 0.000 1.124 283 T CB 0.583 69.523 68.868 0.120 0.000 0.931 283 T HN 0.549 nan 8.240 nan 0.000 0.531 284 S N 3.691 119.471 115.700 0.133 0.000 2.411 284 S HA 0.300 4.769 4.470 -0.002 0.000 0.294 284 S C 0.332 175.075 174.600 0.239 0.000 1.115 284 S CA -0.769 57.525 58.200 0.157 0.000 1.071 284 S CB -0.062 63.156 63.200 0.031 0.000 0.967 284 S HN 0.425 nan 8.310 nan 0.000 0.488 285 I N 3.673 124.400 120.570 0.262 0.000 2.396 285 I HA 0.191 4.360 4.170 -0.002 0.000 0.289 285 I C 0.714 176.952 176.117 0.201 0.000 1.056 285 I CA -0.061 61.405 61.300 0.277 0.000 1.365 285 I CB 0.336 38.580 38.000 0.406 0.000 1.407 285 I HN 0.640 nan 8.210 nan 0.000 0.509 286 Q N 6.316 126.216 119.800 0.168 0.000 2.259 286 Q HA 0.484 4.823 4.340 -0.002 0.000 0.249 286 Q C -1.078 174.872 176.000 -0.084 0.000 0.914 286 Q CA -0.462 55.254 55.803 -0.145 0.000 0.904 286 Q CB 1.339 29.932 28.738 -0.241 0.000 1.213 286 Q HN 0.571 nan 8.270 nan 0.000 0.428 287 I N 4.122 124.624 120.570 -0.113 0.000 2.359 287 I HA 0.186 4.355 4.170 -0.002 0.000 0.284 287 I C 0.159 176.287 176.117 0.020 0.000 1.018 287 I CA -0.679 60.636 61.300 0.025 0.000 1.173 287 I CB 1.527 39.593 38.000 0.109 0.000 1.326 287 I HN 0.700 nan 8.210 nan 0.000 0.462 288 T N 3.047 117.571 114.554 -0.050 0.000 2.899 288 T HA 0.608 4.957 4.350 -0.002 0.000 0.295 288 T C 0.437 174.970 174.700 -0.279 0.000 1.033 288 T CA -0.788 61.228 62.100 -0.140 0.000 1.084 288 T CB 1.583 70.362 68.868 -0.147 0.000 0.979 288 T HN 0.568 nan 8.240 nan 0.000 0.532 289 A N 3.447 125.867 122.820 -0.666 0.000 2.406 289 A HA 0.553 4.871 4.320 -0.002 0.000 0.243 289 A C -2.105 175.004 177.584 -0.792 0.000 1.082 289 A CA -1.444 49.767 52.037 -1.376 0.000 0.786 289 A CB -0.920 16.773 19.000 -2.178 0.000 1.029 289 A HN 0.738 nan 8.150 nan 0.000 0.495 290 P HA 0.177 nan 4.420 nan 0.000 0.269 290 P C 0.691 177.778 177.300 -0.355 0.000 1.217 290 P CA 0.654 63.521 63.100 -0.389 0.000 0.783 290 P CB 0.601 32.133 31.700 -0.279 0.000 0.898 291 A N 1.863 124.548 122.820 -0.225 0.000 1.972 291 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 291 A C 2.050 179.530 177.584 -0.174 0.000 1.169 291 A CA 2.026 53.950 52.037 -0.187 0.000 0.635 291 A CB -1.687 17.238 19.000 -0.125 0.000 0.810 291 A HN 0.611 nan 8.150 nan 0.000 0.446 292 S N -1.255 114.361 115.700 -0.139 0.000 2.469 292 S HA -0.091 4.378 4.470 -0.002 0.000 0.238 292 S C 1.695 176.223 174.600 -0.120 0.000 0.998 292 S CA 1.509 59.657 58.200 -0.087 0.000 0.957 292 S CB -0.269 62.958 63.200 0.044 0.000 0.764 292 S HN 0.402 nan 8.310 nan 0.000 0.514 293 M N 0.685 120.137 119.600 -0.247 0.000 2.691 293 M HA 0.378 4.856 4.480 -0.002 0.000 0.261 293 M C 1.990 178.019 176.300 -0.451 0.000 1.227 293 M CA 0.596 55.674 55.300 -0.369 0.000 1.197 293 M CB -1.133 31.072 32.600 -0.659 0.000 1.294 293 M HN 0.301 nan 8.290 nan 0.000 0.508 294 L N 1.217 122.167 121.223 -0.455 0.000 2.349 294 L HA -0.155 4.184 4.340 -0.002 0.000 0.220 294 L C 2.296 179.090 176.870 -0.127 0.000 1.130 294 L CA 0.749 55.414 54.840 -0.292 0.000 0.791 294 L CB -0.954 40.955 42.059 -0.251 0.000 0.918 294 L HN 0.329 nan 8.230 nan 0.000 0.444 295 I N -2.566 117.931 120.570 -0.122 0.000 2.700 295 I HA 0.068 4.237 4.170 -0.002 0.000 0.261 295 I C 1.052 177.145 176.117 -0.040 0.000 1.219 295 I CA 0.799 62.053 61.300 -0.076 0.000 1.463 295 I CB -0.519 37.430 38.000 -0.085 0.000 1.092 295 I HN 0.128 nan 8.210 nan 0.000 0.452 296 G N 0.055 108.848 108.800 -0.011 0.000 2.634 296 G HA2 0.251 4.210 3.960 -0.002 0.000 0.309 296 G HA3 0.251 4.210 3.960 -0.002 0.000 0.309 296 G C -1.825 173.133 174.900 0.097 0.000 1.299 296 G CA -0.584 44.529 45.100 0.021 0.000 0.798 296 G HN 0.031 nan 8.290 nan 0.000 0.490 297 D N 1.189 121.602 120.400 0.022 0.000 2.443 297 D HA 0.439 5.078 4.640 -0.002 0.000 0.239 297 D C 0.397 176.659 176.300 -0.063 0.000 1.136 297 D CA 0.764 54.727 54.000 -0.062 0.000 0.879 297 D CB 0.437 41.161 40.800 -0.126 0.000 1.195 297 D HN 0.555 nan 8.370 nan 0.000 0.443 298 H N -0.907 118.020 119.070 -0.240 0.000 2.918 298 H HA 0.432 4.987 4.556 -0.002 0.000 0.303 298 H C -1.420 173.756 175.328 -0.253 0.000 1.380 298 H CA -0.793 55.114 56.048 -0.237 0.000 1.134 298 H CB 0.287 30.044 29.762 -0.008 0.000 1.842 298 H HN 0.303 nan 8.280 nan 0.000 0.533 299 Y N -0.032 120.492 120.300 0.374 0.000 2.545 299 Y HA 0.419 4.968 4.550 -0.002 0.000 0.348 299 Y C -0.457 175.724 175.900 0.469 0.000 1.002 299 Y CA -1.163 57.160 58.100 0.371 0.000 1.039 299 Y CB 1.995 40.527 38.460 0.121 0.000 1.271 299 Y HN 0.494 nan 8.280 nan 0.000 0.467 300 L N 2.981 124.548 121.223 0.574 0.000 2.257 300 L HA 0.430 4.769 4.340 -0.002 0.000 0.290 300 L C 0.356 177.268 176.870 0.069 0.000 1.044 300 L CA -0.330 54.494 54.840 -0.026 0.000 0.810 300 L CB 0.406 42.370 42.059 -0.158 0.000 1.193 300 L HN 0.974 nan 8.230 nan 0.000 0.425 301 C N 0.896 120.090 119.300 -0.177 0.000 3.230 301 C HA 0.589 5.048 4.460 -0.002 0.000 0.300 301 C C 0.310 175.060 174.990 -0.400 0.000 1.292 301 C CA -0.150 58.673 59.018 -0.324 0.000 1.707 301 C CB -1.154 26.475 27.740 -0.184 0.000 2.181 301 C HN 0.882 nan 8.230 nan 0.000 0.655 302 D N -0.525 119.682 120.400 -0.322 0.000 2.803 302 D HA 0.593 5.232 4.640 -0.002 0.000 0.218 302 D C -1.598 174.428 176.300 -0.456 0.000 1.245 302 D CA -0.189 53.657 54.000 -0.256 0.000 0.821 302 D CB 2.305 42.963 40.800 -0.238 0.000 1.626 302 D HN 0.000 nan 8.370 nan 0.000 0.487 303 V N 2.337 121.937 119.914 -0.522 0.000 2.569 303 V HA 0.689 4.808 4.120 -0.002 0.000 0.301 303 V C -0.773 174.946 176.094 -0.625 0.000 1.044 303 V CA -0.439 61.317 62.300 -0.907 0.000 0.874 303 V CB 2.022 32.766 31.823 -1.798 0.000 1.002 303 V HN 0.737 nan 8.190 nan 0.000 0.424 304 T N 3.392 117.657 114.554 -0.482 0.000 3.237 304 T HA 0.344 4.693 4.350 -0.002 0.000 0.319 304 T C -1.029 173.537 174.700 -0.223 0.000 1.037 304 T CA -0.533 61.450 62.100 -0.195 0.000 1.048 304 T CB 0.890 69.725 68.868 -0.055 0.000 1.081 304 T HN 0.501 nan 8.240 nan 0.000 0.455 305 W N 1.879 123.115 121.300 -0.106 0.000 2.218 305 W HA 0.527 5.186 4.660 -0.002 0.000 0.326 305 W C 1.115 177.457 176.519 -0.295 0.000 1.276 305 W CA -0.301 56.958 57.345 -0.142 0.000 1.210 305 W CB 0.652 30.120 29.460 0.012 0.000 1.143 305 W HN 0.840 nan 8.180 nan 0.000 0.563 306 A N 1.433 124.098 122.820 -0.258 0.000 1.944 306 A HA 0.230 4.549 4.320 -0.002 0.000 0.207 306 A C 0.827 178.356 177.584 -0.091 0.000 1.265 306 A CA 1.432 53.078 52.037 -0.652 0.000 0.712 306 A CB -0.351 17.872 19.000 -1.295 0.000 0.915 306 A HN 0.531 nan 8.150 nan 0.000 0.470 307 T N -5.372 109.235 114.554 0.088 0.000 2.654 307 T HA 0.344 4.693 4.350 -0.002 0.000 0.289 307 T C 0.124 174.983 174.700 0.265 0.000 1.062 307 T CA -0.350 61.848 62.100 0.163 0.000 1.041 307 T CB 0.698 69.652 68.868 0.144 0.000 1.417 307 T HN -0.045 nan 8.240 nan 0.000 0.510 308 Q N 0.334 120.260 119.800 0.210 0.000 2.291 308 Q HA 0.042 4.381 4.340 -0.002 0.000 0.205 308 Q C 0.702 176.961 176.000 0.432 0.000 0.970 308 Q CA 1.372 57.307 55.803 0.221 0.000 0.876 308 Q CB -0.087 28.744 28.738 0.155 0.000 0.935 308 Q HN 0.826 nan 8.270 nan 0.000 0.455 309 E N -0.062 120.392 120.200 0.424 0.000 2.968 309 E HA 0.212 4.561 4.350 -0.002 0.000 0.202 309 E C -0.277 176.599 176.600 0.459 0.000 0.979 309 E CA -0.171 56.503 56.400 0.456 0.000 1.192 309 E CB 1.001 30.876 29.700 0.292 0.000 1.059 309 E HN -0.032 nan 8.360 nan 0.000 0.470 310 R N 1.666 122.467 120.500 0.501 0.000 2.515 310 R HA 0.503 4.842 4.340 -0.002 0.000 0.291 310 R C -1.830 174.525 176.300 0.093 0.000 1.046 310 R CA -0.439 55.833 56.100 0.287 0.000 0.914 310 R CB 1.323 31.686 30.300 0.106 0.000 1.191 310 R HN 0.108 nan 8.270 nan 0.000 0.435 311 I N 3.330 123.787 120.570 -0.188 0.000 2.608 311 I HA 0.444 4.613 4.170 -0.002 0.000 0.295 311 I C -0.896 174.923 176.117 -0.496 0.000 1.049 311 I CA -0.520 60.388 61.300 -0.654 0.000 1.063 311 I CB 2.251 39.392 38.000 -1.432 0.000 1.248 311 I HN 0.860 nan 8.210 nan 0.000 0.424 312 S N 7.674 123.071 115.700 -0.505 0.000 2.509 312 S HA 0.778 5.247 4.470 -0.002 0.000 0.297 312 S C -0.987 173.308 174.600 -0.508 0.000 1.118 312 S CA -0.705 57.274 58.200 -0.369 0.000 1.074 312 S CB 1.615 64.708 63.200 -0.178 0.000 1.038 312 S HN 0.572 nan 8.310 nan 0.000 0.498 313 L N 1.869 122.804 121.223 -0.479 0.000 2.401 313 L HA 0.554 4.893 4.340 -0.002 0.000 0.266 313 L C -0.490 176.083 176.870 -0.494 0.000 0.991 313 L CA -0.679 53.761 54.840 -0.667 0.000 0.818 313 L CB 2.295 43.844 42.059 -0.849 0.000 1.321 313 L HN 0.698 nan 8.230 nan 0.000 0.413 314 Q N 1.521 120.982 119.800 -0.566 0.000 2.340 314 Q HA 0.448 4.787 4.340 -0.002 0.000 0.268 314 Q C -1.769 173.992 176.000 -0.398 0.000 1.031 314 Q CA -0.602 54.999 55.803 -0.336 0.000 0.804 314 Q CB 2.629 31.221 28.738 -0.244 0.000 1.286 314 Q HN 0.411 nan 8.270 nan 0.000 0.448 315 W N 2.231 123.480 121.300 -0.086 0.000 2.706 315 W HA 0.648 5.307 4.660 -0.002 0.000 0.346 315 W C -0.898 175.647 176.519 0.043 0.000 1.071 315 W CA -0.670 56.676 57.345 0.001 0.000 1.206 315 W CB 1.149 30.597 29.460 -0.021 0.000 1.413 315 W HN 0.386 nan 8.180 nan 0.000 0.542 316 L N 2.349 123.802 121.223 0.383 0.000 2.410 316 L HA 0.572 4.911 4.340 -0.002 0.000 0.270 316 L C -0.255 176.804 176.870 0.315 0.000 0.983 316 L CA -1.183 53.839 54.840 0.302 0.000 0.822 316 L CB 1.449 43.667 42.059 0.265 0.000 1.285 316 L HN 0.408 nan 8.230 nan 0.000 0.409 317 R N 2.472 123.119 120.500 0.245 0.000 2.641 317 R HA 0.248 4.587 4.340 -0.002 0.000 0.269 317 R C 1.006 177.360 176.300 0.089 0.000 1.074 317 R CA -0.188 56.004 56.100 0.153 0.000 1.133 317 R CB 0.629 31.015 30.300 0.142 0.000 1.029 317 R HN 0.651 nan 8.270 nan 0.000 0.488 318 R N 1.572 122.032 120.500 -0.067 0.000 2.139 318 R HA -0.099 4.240 4.340 -0.002 0.000 0.243 318 R C 0.386 176.738 176.300 0.088 0.000 1.145 318 R CA 1.195 57.248 56.100 -0.077 0.000 0.976 318 R CB 0.160 30.380 30.300 -0.134 0.000 0.866 318 R HN 0.397 nan 8.270 nan 0.000 0.449 319 I N 2.888 123.497 120.570 0.065 0.000 2.260 319 I HA 0.008 4.177 4.170 -0.002 0.000 0.297 319 I C 0.230 176.409 176.117 0.103 0.000 1.143 319 I CA 0.327 61.668 61.300 0.068 0.000 1.271 319 I CB 0.713 38.738 38.000 0.042 0.000 1.461 319 I HN 0.278 nan 8.210 nan 0.000 0.530 320 Q N 3.891 123.753 119.800 0.104 0.000 2.285 320 Q HA -0.124 4.215 4.340 -0.002 0.000 0.191 320 Q C 0.531 176.605 176.000 0.124 0.000 0.860 320 Q CA 0.269 56.142 55.803 0.116 0.000 1.015 320 Q CB -0.428 28.341 28.738 0.050 0.000 1.118 320 Q HN 0.625 nan 8.270 nan 0.000 0.455 321 N N -0.927 117.853 118.700 0.132 0.000 2.282 321 N HA -0.006 4.733 4.740 -0.002 0.000 0.240 321 N C -1.198 174.428 175.510 0.193 0.000 1.182 321 N CA -0.288 52.835 53.050 0.121 0.000 0.874 321 N CB 0.290 38.825 38.487 0.080 0.000 1.126 321 N HN 0.189 nan 8.380 nan 0.000 0.516 322 Y N 0.986 121.314 120.300 0.046 0.000 2.323 322 Y HA 0.472 5.020 4.550 -0.002 0.000 0.322 322 Y C -1.291 174.647 175.900 0.063 0.000 1.133 322 Y CA -0.826 57.300 58.100 0.044 0.000 1.093 322 Y CB 1.310 39.788 38.460 0.029 0.000 1.203 322 Y HN 0.174 nan 8.280 nan 0.000 0.427 323 S N 4.184 119.747 115.700 -0.229 0.000 2.542 323 S HA 0.923 5.392 4.470 -0.002 0.000 0.293 323 S C -1.748 172.720 174.600 -0.219 0.000 1.089 323 S CA -0.760 57.377 58.200 -0.105 0.000 0.961 323 S CB 2.067 65.247 63.200 -0.034 0.000 1.062 323 S HN 0.414 nan 8.310 nan 0.000 0.483 324 V N 3.286 123.174 119.914 -0.043 0.000 2.588 324 V HA 0.533 4.652 4.120 -0.002 0.000 0.304 324 V C -0.492 175.633 176.094 0.052 0.000 1.042 324 V CA -0.636 61.651 62.300 -0.022 0.000 0.877 324 V CB 1.771 33.611 31.823 0.028 0.000 0.996 324 V HN 1.033 nan 8.190 nan 0.000 0.425 325 M N 3.986 123.594 119.600 0.013 0.000 2.149 325 M HA 0.525 5.004 4.480 -0.002 0.000 0.342 325 M C -1.403 174.907 176.300 0.018 0.000 1.068 325 M CA -0.339 54.949 55.300 -0.020 0.000 0.991 325 M CB 1.165 33.709 32.600 -0.093 0.000 1.596 325 M HN 0.589 nan 8.290 nan 0.000 0.439 326 D N 5.280 125.683 120.400 0.005 0.000 2.163 326 D HA 0.529 5.168 4.640 -0.002 0.000 0.248 326 D C -0.856 175.416 176.300 -0.047 0.000 1.035 326 D CA -0.032 53.971 54.000 0.005 0.000 0.872 326 D CB 1.948 42.773 40.800 0.041 0.000 1.183 326 D HN 0.616 nan 8.370 nan 0.000 0.445 327 I N 2.307 122.874 120.570 -0.004 0.000 2.411 327 I HA 0.261 4.430 4.170 -0.002 0.000 0.284 327 I C -0.624 175.502 176.117 0.014 0.000 1.012 327 I CA -0.607 60.689 61.300 -0.008 0.000 1.119 327 I CB 1.207 39.257 38.000 0.084 0.000 1.261 327 I HN 0.164 nan 8.210 nan 0.000 0.448 328 c N 3.716 122.318 118.600 0.003 0.000 2.351 328 c HA 0.556 5.125 4.570 -0.002 0.000 0.326 328 c C -0.213 174.033 174.090 0.260 0.000 1.272 328 c CA -0.785 55.614 56.329 0.116 0.000 1.650 328 c CB 0.968 43.553 42.510 0.125 0.000 2.257 328 c HN 0.573 nan 8.230 nan 0.000 0.505 329 D N 0.249 120.774 120.400 0.208 0.000 2.198 329 D HA 0.317 4.956 4.640 -0.002 0.000 0.247 329 D C -0.636 175.589 176.300 -0.124 0.000 1.010 329 D CA -0.228 53.847 54.000 0.124 0.000 0.880 329 D CB 0.805 41.631 40.800 0.043 0.000 1.209 329 D HN 0.585 nan 8.370 nan 0.000 0.451 330 Y N 1.520 121.423 120.300 -0.662 0.000 2.377 330 Y HA 0.162 4.711 4.550 -0.002 0.000 0.330 330 Y C -0.077 175.524 175.900 -0.499 0.000 1.108 330 Y CA -0.123 57.278 58.100 -1.166 0.000 1.308 330 Y CB 0.675 38.390 38.460 -1.241 0.000 1.216 330 Y HN 0.164 nan 8.280 nan 0.000 0.518 331 D N 5.984 125.784 120.400 -1.000 0.000 2.467 331 D HA 0.045 4.684 4.640 -0.002 0.000 0.220 331 D C 0.744 176.487 176.300 -0.927 0.000 1.103 331 D CA -0.041 53.553 54.000 -0.676 0.000 0.886 331 D CB 0.709 41.266 40.800 -0.406 0.000 1.025 331 D HN 0.939 nan 8.370 nan 0.000 0.514 332 E N 1.866 121.659 120.200 -0.678 0.000 2.209 332 E HA -0.202 4.147 4.350 -0.002 0.000 0.196 332 E C 1.437 177.899 176.600 -0.231 0.000 0.993 332 E CA 1.145 57.302 56.400 -0.405 0.000 0.819 332 E CB 0.405 30.062 29.700 -0.071 0.000 0.745 332 E HN 0.474 nan 8.360 nan 0.000 0.477 333 S N -0.544 115.031 115.700 -0.210 0.000 2.425 333 S HA -0.073 4.396 4.470 -0.002 0.000 0.225 333 S C 2.014 176.544 174.600 -0.117 0.000 1.024 333 S CA 0.911 59.038 58.200 -0.121 0.000 0.951 333 S CB 0.139 63.284 63.200 -0.092 0.000 0.796 333 S HN 0.248 nan 8.310 nan 0.000 0.498 334 S N -0.206 115.391 115.700 -0.172 0.000 2.511 334 S HA 0.482 4.951 4.470 -0.002 0.000 0.214 334 S C 1.639 176.168 174.600 -0.118 0.000 0.997 334 S CA 0.517 58.645 58.200 -0.120 0.000 0.908 334 S CB -0.295 62.839 63.200 -0.110 0.000 0.803 334 S HN 1.449 nan 8.310 nan 0.000 0.504 335 G N 1.953 110.611 108.800 -0.236 0.000 2.175 335 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.265 335 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.265 335 G C 0.131 175.002 174.900 -0.048 0.000 0.979 335 G CA 0.319 45.351 45.100 -0.114 0.000 0.663 335 G HN 0.537 nan 8.290 nan 0.000 0.533 336 R N -1.354 119.035 120.500 -0.186 0.000 2.691 336 R HA 0.633 4.972 4.340 -0.002 0.000 0.259 336 R C -0.695 175.500 176.300 -0.175 0.000 1.048 336 R CA -1.093 54.984 56.100 -0.039 0.000 1.086 336 R CB 0.501 30.797 30.300 -0.007 0.000 1.166 336 R HN 0.190 nan 8.270 nan 0.000 0.526 337 W N 0.728 122.044 121.300 0.026 0.000 2.361 337 W HA 0.400 5.059 4.660 -0.002 0.000 0.314 337 W C -0.217 176.292 176.519 -0.017 0.000 1.041 337 W CA -0.365 56.990 57.345 0.016 0.000 1.241 337 W CB 0.853 30.323 29.460 0.018 0.000 1.279 337 W HN 0.405 nan 8.180 nan 0.000 0.436 338 N N 2.311 121.087 118.700 0.126 0.000 2.362 338 N HA 0.546 5.285 4.740 -0.002 0.000 0.298 338 N C -1.421 174.134 175.510 0.075 0.000 1.048 338 N CA -0.719 52.372 53.050 0.069 0.000 0.858 338 N CB 1.245 39.733 38.487 0.002 0.000 1.218 338 N HN 0.177 nan 8.380 nan 0.000 0.488 339 c N 2.885 121.514 118.600 0.049 0.000 2.258 339 c HA 0.367 4.936 4.570 -0.002 0.000 0.321 339 c C 0.383 174.478 174.090 0.008 0.000 1.168 339 c CA -1.098 55.250 56.329 0.032 0.000 1.531 339 c CB -1.289 41.233 42.510 0.021 0.000 2.095 339 c HN 0.610 nan 8.230 nan 0.000 0.449 340 L N 2.850 124.079 121.223 0.010 0.000 2.455 340 L HA 0.069 4.408 4.340 -0.002 0.000 0.272 340 L C 1.488 178.345 176.870 -0.020 0.000 1.174 340 L CA 0.045 54.882 54.840 -0.005 0.000 0.869 340 L CB 0.615 42.675 42.059 0.002 0.000 1.130 340 L HN 0.593 nan 8.230 nan 0.000 0.474 341 V N 3.008 122.903 119.914 -0.032 0.000 2.568 341 V HA -0.291 3.828 4.120 -0.002 0.000 0.253 341 V C 2.284 178.338 176.094 -0.067 0.000 1.072 341 V CA 1.933 64.204 62.300 -0.048 0.000 1.084 341 V CB -0.784 31.013 31.823 -0.043 0.000 0.676 341 V HN 1.014 nan 8.190 nan 0.000 0.469 342 A N -0.137 122.653 122.820 -0.051 0.000 2.172 342 A HA -0.105 4.214 4.320 -0.002 0.000 0.216 342 A C 2.152 179.688 177.584 -0.081 0.000 1.154 342 A CA 1.116 53.119 52.037 -0.057 0.000 0.701 342 A CB -0.346 18.637 19.000 -0.028 0.000 0.789 342 A HN 0.575 nan 8.150 nan 0.000 0.465 343 R N -0.978 119.480 120.500 -0.070 0.000 2.546 343 R HA 0.175 4.514 4.340 -0.002 0.000 0.320 343 R C 0.274 176.496 176.300 -0.130 0.000 1.021 343 R CA -0.154 55.920 56.100 -0.043 0.000 1.088 343 R CB 0.328 30.670 30.300 0.070 0.000 1.278 343 R HN 0.567 nan 8.270 nan 0.000 0.557 344 Q N 1.215 120.884 119.800 -0.218 0.000 2.274 344 Q HA 0.133 4.472 4.340 -0.002 0.000 0.256 344 Q C -0.974 174.817 176.000 -0.348 0.000 0.927 344 Q CA -0.301 55.401 55.803 -0.169 0.000 0.939 344 Q CB 0.806 29.489 28.738 -0.093 0.000 1.201 344 Q HN 0.258 nan 8.270 nan 0.000 0.426 345 H N 4.630 123.706 119.070 0.009 0.000 2.489 345 H HA 0.400 4.955 4.556 -0.002 0.000 0.343 345 H C -0.483 174.821 175.328 -0.039 0.000 1.086 345 H CA -0.517 55.544 56.048 0.022 0.000 1.198 345 H CB 1.188 30.982 29.762 0.054 0.000 1.490 345 H HN 0.592 nan 8.280 nan 0.000 0.504 346 I N 1.975 122.566 120.570 0.036 0.000 2.392 346 I HA 0.181 4.350 4.170 -0.002 0.000 0.295 346 I C 0.254 176.322 176.117 -0.083 0.000 0.985 346 I CA -0.236 60.996 61.300 -0.113 0.000 1.221 346 I CB 1.641 39.546 38.000 -0.157 0.000 1.366 346 I HN 0.481 nan 8.210 nan 0.000 0.467 347 E N 7.967 128.059 120.200 -0.180 0.000 2.283 347 E HA 0.477 4.826 4.350 -0.002 0.000 0.258 347 E C -1.213 175.304 176.600 -0.138 0.000 0.893 347 E CA -0.613 55.734 56.400 -0.088 0.000 0.798 347 E CB 1.365 31.045 29.700 -0.034 0.000 1.242 347 E HN 0.590 nan 8.360 nan 0.000 0.414 348 M N 0.981 120.542 119.600 -0.064 0.000 2.755 348 M HA 0.690 5.169 4.480 -0.002 0.000 0.298 348 M C -0.903 175.413 176.300 0.026 0.000 1.251 348 M CA -0.970 54.330 55.300 0.000 0.000 0.817 348 M CB 2.182 34.840 32.600 0.098 0.000 1.760 348 M HN 0.255 nan 8.290 nan 0.000 0.473 349 S N -0.619 115.103 115.700 0.036 0.000 2.541 349 S HA 0.557 5.026 4.470 -0.002 0.000 0.280 349 S C 0.186 174.789 174.600 0.006 0.000 1.112 349 S CA 0.044 58.247 58.200 0.006 0.000 0.925 349 S CB 1.873 65.048 63.200 -0.041 0.000 1.067 349 S HN 0.916 nan 8.310 nan 0.000 0.479 350 T N -0.263 114.293 114.554 0.002 0.000 3.023 350 T HA 0.057 4.406 4.350 -0.002 0.000 0.249 350 T C 1.560 176.251 174.700 -0.015 0.000 1.050 350 T CA 0.987 63.088 62.100 0.001 0.000 1.088 350 T CB -0.541 68.331 68.868 0.007 0.000 0.946 350 T HN 0.675 nan 8.240 nan 0.000 0.480 351 T N -1.608 112.939 114.554 -0.011 0.000 3.051 351 T HA 0.580 4.929 4.350 -0.002 0.000 0.255 351 T C 1.186 175.792 174.700 -0.157 0.000 1.085 351 T CA 0.402 62.505 62.100 0.006 0.000 1.109 351 T CB 0.231 69.160 68.868 0.102 0.000 0.921 351 T HN 0.643 nan 8.240 nan 0.000 0.488 352 G N 0.315 108.858 108.800 -0.428 0.000 2.791 352 G HA2 0.485 4.444 3.960 -0.002 0.000 0.158 352 G HA3 0.485 4.444 3.960 -0.002 0.000 0.158 352 G C -1.601 173.009 174.900 -0.485 0.000 1.193 352 G CA -0.595 43.971 45.100 -0.889 0.000 1.032 352 G HN 0.482 nan 8.290 nan 0.000 0.557 353 W N -0.160 120.849 121.300 -0.486 0.000 2.225 353 W HA 0.757 5.416 4.660 -0.002 0.000 0.377 353 W C -0.390 176.064 176.519 -0.109 0.000 1.418 353 W CA -1.284 55.917 57.345 -0.240 0.000 1.562 353 W CB 0.588 29.875 29.460 -0.288 0.000 1.297 353 W HN 0.260 nan 8.180 nan 0.000 0.686 354 V N 2.927 122.922 119.914 0.135 0.000 2.407 354 V HA 0.683 4.802 4.120 -0.002 0.000 0.278 354 V C 0.770 176.953 176.094 0.148 0.000 1.037 354 V CA 0.391 62.733 62.300 0.069 0.000 0.900 354 V CB 0.007 31.867 31.823 0.062 0.000 0.983 354 V HN 1.272 nan 8.190 nan 0.000 0.459 355 G N 5.239 114.084 108.800 0.075 0.000 2.795 355 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.664 355 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.664 355 G C 0.349 175.358 174.900 0.181 0.000 1.381 355 G CA 0.164 45.333 45.100 0.115 0.000 0.853 355 G HN 0.634 nan 8.290 nan 0.000 0.545 356 R N -0.798 119.787 120.500 0.142 0.000 2.062 356 R HA 0.117 4.456 4.340 -0.002 0.000 0.231 356 R C 1.896 178.156 176.300 -0.068 0.000 1.136 356 R CA 2.120 58.249 56.100 0.047 0.000 0.948 356 R CB -0.100 30.213 30.300 0.023 0.000 0.845 356 R HN 0.465 nan 8.270 nan 0.000 0.430 357 F N -0.764 119.334 119.950 0.247 0.000 2.817 357 F HA 0.270 4.796 4.527 -0.002 0.000 0.333 357 F C 0.189 176.020 175.800 0.051 0.000 1.085 357 F CA -0.418 57.669 58.000 0.145 0.000 1.170 357 F CB 0.776 39.863 39.000 0.146 0.000 1.066 357 F HN -0.070 nan 8.300 nan 0.000 0.564 358 R N -1.710 118.919 120.500 0.216 0.000 3.033 358 R HA 0.325 4.664 4.340 -0.002 0.000 0.284 358 R C -3.380 172.973 176.300 0.088 0.000 0.997 358 R CA -1.716 54.442 56.100 0.097 0.000 0.851 358 R CB -0.137 30.170 30.300 0.011 0.000 1.297 358 R HN -0.358 nan 8.270 nan 0.000 0.518 359 P HA -0.023 nan 4.420 nan 0.000 0.262 359 P C -0.275 177.036 177.300 0.018 0.000 1.182 359 P CA 0.238 63.350 63.100 0.021 0.000 0.761 359 P CB 0.709 32.397 31.700 -0.019 0.000 0.795 360 S N 2.331 118.057 115.700 0.043 0.000 2.579 360 S HA 0.113 4.582 4.470 -0.002 0.000 0.275 360 S C 0.274 174.882 174.600 0.012 0.000 1.345 360 S CA -0.725 57.515 58.200 0.067 0.000 1.031 360 S CB 0.425 63.690 63.200 0.109 0.000 0.892 360 S HN 0.529 nan 8.310 nan 0.000 0.529 361 E N 1.628 121.845 120.200 0.028 0.000 2.343 361 E HA 0.371 4.720 4.350 -0.002 0.000 0.269 361 E C -2.766 173.768 176.600 -0.111 0.000 1.047 361 E CA -2.159 54.199 56.400 -0.071 0.000 0.874 361 E CB 0.363 30.015 29.700 -0.079 0.000 1.033 361 E HN 0.457 nan 8.360 nan 0.000 0.409 362 P HA 0.248 nan 4.420 nan 0.000 0.286 362 P C -0.813 176.305 177.300 -0.303 0.000 1.261 362 P CA -0.392 62.535 63.100 -0.288 0.000 0.821 362 P CB 0.858 32.076 31.700 -0.804 0.000 1.013 363 H N 2.174 121.261 119.070 0.028 0.000 2.792 363 H HA 0.290 4.845 4.556 -0.002 0.000 0.298 363 H C -0.274 175.191 175.328 0.229 0.000 1.042 363 H CA -0.333 55.824 56.048 0.182 0.000 1.300 363 H CB 0.237 30.124 29.762 0.208 0.000 1.431 363 H HN 0.302 nan 8.280 nan 0.000 0.496 364 F N 1.328 121.471 119.950 0.322 0.000 2.418 364 F HA 0.076 4.602 4.527 -0.002 0.000 0.341 364 F C 1.537 177.541 175.800 0.340 0.000 1.120 364 F CA -0.032 58.167 58.000 0.333 0.000 1.232 364 F CB 0.837 39.962 39.000 0.208 0.000 1.175 364 F HN 0.258 nan 8.300 nan 0.000 0.569 365 T N 3.796 118.674 114.554 0.540 0.000 2.898 365 T HA 0.021 4.370 4.350 -0.002 0.000 0.301 365 T C 1.271 176.178 174.700 0.344 0.000 1.049 365 T CA -0.504 61.848 62.100 0.420 0.000 1.095 365 T CB 0.751 69.855 68.868 0.393 0.000 0.976 365 T HN 0.563 nan 8.240 nan 0.000 0.539 366 L N 2.427 123.802 121.223 0.255 0.000 2.034 366 L HA -0.194 4.145 4.340 -0.002 0.000 0.217 366 L C 2.174 179.157 176.870 0.189 0.000 1.077 366 L CA 2.178 57.138 54.840 0.201 0.000 0.769 366 L CB -0.675 41.475 42.059 0.153 0.000 0.890 366 L HN 0.852 nan 8.230 nan 0.000 0.435 367 D N -1.293 119.221 120.400 0.189 0.000 2.363 367 D HA 0.013 4.652 4.640 -0.002 0.000 0.220 367 D C 1.615 178.027 176.300 0.185 0.000 0.994 367 D CA 0.819 54.918 54.000 0.166 0.000 0.890 367 D CB -0.603 40.285 40.800 0.148 0.000 0.906 367 D HN 0.497 nan 8.370 nan 0.000 0.530 368 G N 0.854 109.805 108.800 0.251 0.000 2.168 368 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.257 368 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.257 368 G C 0.773 175.870 174.900 0.329 0.000 0.997 368 G CA 0.394 45.663 45.100 0.281 0.000 0.708 368 G HN 0.408 nan 8.290 nan 0.000 0.520 369 N N 0.016 118.889 118.700 0.288 0.000 2.280 369 N HA 0.203 4.942 4.740 -0.002 0.000 0.192 369 N C 0.729 176.364 175.510 0.209 0.000 1.109 369 N CA 1.035 54.223 53.050 0.229 0.000 0.855 369 N CB 0.617 39.196 38.487 0.153 0.000 0.974 369 N HN 0.919 nan 8.380 nan 0.000 0.482 370 S N -0.320 115.541 115.700 0.268 0.000 2.565 370 S HA 0.728 5.197 4.470 -0.002 0.000 0.269 370 S C -1.006 173.688 174.600 0.157 0.000 1.153 370 S CA -0.983 57.244 58.200 0.045 0.000 0.835 370 S CB 1.563 64.667 63.200 -0.159 0.000 1.122 370 S HN 0.109 nan 8.310 nan 0.000 0.462 371 F N -1.558 118.213 119.950 -0.297 0.000 2.685 371 F HA 0.869 5.395 4.527 -0.002 0.000 0.315 371 F C -2.079 173.552 175.800 -0.282 0.000 1.126 371 F CA -1.567 56.212 58.000 -0.368 0.000 0.950 371 F CB 0.578 38.934 39.000 -1.073 0.000 1.360 371 F HN 0.597 nan 8.300 nan 0.000 0.469 372 Y N 0.837 121.268 120.300 0.217 0.000 2.409 372 Y HA 0.698 5.247 4.550 -0.002 0.000 0.339 372 Y C -0.267 175.782 175.900 0.249 0.000 1.033 372 Y CA -0.990 57.235 58.100 0.207 0.000 1.094 372 Y CB 2.174 40.723 38.460 0.147 0.000 1.210 372 Y HN 0.673 nan 8.280 nan 0.000 0.456 373 K N 2.812 123.419 120.400 0.345 0.000 2.525 373 K HA 0.521 4.840 4.320 -0.002 0.000 0.254 373 K C -1.631 175.111 176.600 0.238 0.000 0.934 373 K CA -0.553 55.899 56.287 0.274 0.000 0.802 373 K CB 1.609 34.197 32.500 0.147 0.000 1.295 373 K HN 0.697 nan 8.250 nan 0.000 0.433 374 I N 6.647 127.335 120.570 0.196 0.000 2.379 374 I HA 0.243 4.411 4.170 -0.002 0.000 0.290 374 I C 0.174 176.386 176.117 0.159 0.000 1.063 374 I CA -0.249 61.145 61.300 0.157 0.000 1.351 374 I CB 0.222 38.295 38.000 0.123 0.000 1.410 374 I HN 0.462 nan 8.210 nan 0.000 0.505 375 I N 2.076 122.769 120.570 0.206 0.000 2.969 375 I HA 0.472 4.641 4.170 -0.002 0.000 0.307 375 I C -0.292 175.950 176.117 0.208 0.000 1.149 375 I CA -0.813 60.605 61.300 0.197 0.000 1.008 375 I CB 2.140 40.275 38.000 0.224 0.000 1.232 375 I HN 0.321 nan 8.210 nan 0.000 0.435 376 S N 2.858 118.618 115.700 0.099 0.000 2.510 376 S HA 0.237 4.706 4.470 -0.002 0.000 0.279 376 S C 0.022 174.653 174.600 0.052 0.000 1.284 376 S CA -0.483 57.717 58.200 -0.000 0.000 1.059 376 S CB -0.271 62.869 63.200 -0.099 0.000 0.901 376 S HN 0.807 nan 8.310 nan 0.000 0.491 377 N N 3.934 122.560 118.700 -0.124 0.000 2.374 377 N HA 0.171 4.910 4.740 -0.002 0.000 0.284 377 N C 0.748 176.169 175.510 -0.148 0.000 1.280 377 N CA -0.313 52.551 53.050 -0.310 0.000 0.963 377 N CB -0.157 37.774 38.487 -0.927 0.000 1.141 377 N HN 0.671 nan 8.380 nan 0.000 0.565 378 E N -0.679 119.436 120.200 -0.141 0.000 2.209 378 E HA -0.182 4.167 4.350 -0.002 0.000 0.196 378 E C 0.818 177.363 176.600 -0.092 0.000 0.993 378 E CA 1.176 57.527 56.400 -0.081 0.000 0.819 378 E CB -0.157 29.506 29.700 -0.063 0.000 0.745 378 E HN 0.652 nan 8.360 nan 0.000 0.477 379 E N -0.672 119.467 120.200 -0.101 0.000 2.481 379 E HA 0.022 4.371 4.350 -0.002 0.000 0.195 379 E C 1.005 177.543 176.600 -0.104 0.000 1.047 379 E CA 0.315 56.694 56.400 -0.035 0.000 0.867 379 E CB 0.443 30.183 29.700 0.066 0.000 0.858 379 E HN 0.364 nan 8.360 nan 0.000 0.513 380 G N 0.698 109.390 108.800 -0.180 0.000 2.141 380 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.231 380 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.231 380 G C -0.406 174.203 174.900 -0.484 0.000 0.984 380 G CA -0.208 44.687 45.100 -0.341 0.000 0.660 380 G HN 0.218 nan 8.290 nan 0.000 0.525 381 Y N 0.491 120.659 120.300 -0.219 0.000 2.330 381 Y HA 0.626 5.175 4.550 -0.002 0.000 0.336 381 Y C 1.168 176.900 175.900 -0.280 0.000 1.036 381 Y CA -0.881 57.071 58.100 -0.247 0.000 1.125 381 Y CB 1.030 39.359 38.460 -0.219 0.000 1.194 381 Y HN 0.086 nan 8.280 nan 0.000 0.469 382 R N 3.931 124.300 120.500 -0.219 0.000 2.296 382 R HA 0.248 4.587 4.340 -0.002 0.000 0.323 382 R C -0.734 175.285 176.300 -0.467 0.000 1.067 382 R CA 0.002 55.975 56.100 -0.210 0.000 0.946 382 R CB 0.079 30.309 30.300 -0.117 0.000 0.991 382 R HN 0.657 nan 8.270 nan 0.000 0.448 383 H N 1.711 120.741 119.070 -0.068 0.000 2.949 383 H HA 0.334 4.889 4.556 -0.002 0.000 0.356 383 H C -0.064 175.328 175.328 0.107 0.000 1.212 383 H CA -0.979 55.009 56.048 -0.100 0.000 1.136 383 H CB 1.662 31.251 29.762 -0.287 0.000 1.869 383 H HN 0.314 nan 8.280 nan 0.000 0.556 384 I N 1.348 122.008 120.570 0.150 0.000 2.471 384 I HA 0.030 4.199 4.170 -0.002 0.000 0.286 384 I C 0.348 176.545 176.117 0.133 0.000 1.079 384 I CA 0.183 61.550 61.300 0.112 0.000 1.398 384 I CB 0.291 38.272 38.000 -0.033 0.000 1.403 384 I HN 0.138 nan 8.210 nan 0.000 0.530 385 c N 7.079 125.699 118.600 0.035 0.000 2.417 385 c HA 0.385 4.954 4.570 -0.002 0.000 0.324 385 c C -0.352 173.634 174.090 -0.174 0.000 1.240 385 c CA -0.623 55.508 56.329 -0.329 0.000 1.632 385 c CB 0.840 42.866 42.510 -0.807 0.000 2.241 385 c HN 0.719 nan 8.230 nan 0.000 0.499 386 Y N 4.480 124.481 120.300 -0.499 0.000 2.341 386 Y HA 0.602 5.151 4.550 -0.002 0.000 0.340 386 Y C -0.842 174.637 175.900 -0.703 0.000 0.997 386 Y CA -0.573 57.173 58.100 -0.590 0.000 1.149 386 Y CB 0.486 38.674 38.460 -0.453 0.000 1.171 386 Y HN 0.675 nan 8.280 nan 0.000 0.494 387 F N 4.094 123.306 119.950 -1.230 0.000 2.480 387 F HA 0.370 4.896 4.527 -0.002 0.000 0.329 387 F C -0.342 174.757 175.800 -1.169 0.000 1.091 387 F CA -1.058 56.178 58.000 -1.274 0.000 0.972 387 F CB 1.542 39.382 39.000 -1.933 0.000 1.150 387 F HN 0.347 nan 8.300 nan 0.000 0.467 388 Q N 3.373 122.863 119.800 -0.516 0.000 2.241 388 Q HA 0.292 4.631 4.340 -0.002 0.000 0.254 388 Q C 1.220 177.211 176.000 -0.014 0.000 0.917 388 Q CA -0.356 55.274 55.803 -0.289 0.000 0.919 388 Q CB 1.886 30.506 28.738 -0.197 0.000 1.237 388 Q HN 0.872 nan 8.270 nan 0.000 0.434 389 I N -0.884 119.776 120.570 0.149 0.000 2.423 389 I HA -0.218 3.951 4.170 -0.002 0.000 0.254 389 I C 0.611 176.951 176.117 0.373 0.000 1.151 389 I CA 1.606 63.143 61.300 0.395 0.000 1.421 389 I CB -0.147 38.075 38.000 0.371 0.000 1.079 389 I HN 0.353 nan 8.210 nan 0.000 0.431 390 D N 0.761 121.270 120.400 0.181 0.000 2.559 390 D HA 0.219 4.857 4.640 -0.002 0.000 0.234 390 D C -0.142 176.189 176.300 0.052 0.000 1.226 390 D CA -0.309 53.747 54.000 0.093 0.000 0.830 390 D CB -0.007 40.827 40.800 0.055 0.000 1.028 390 D HN 0.407 nan 8.370 nan 0.000 0.492 391 K N 0.474 120.934 120.400 0.100 0.000 2.471 391 K HA 0.259 4.578 4.320 -0.002 0.000 0.252 391 K C 0.429 177.104 176.600 0.124 0.000 0.938 391 K CA -0.830 55.482 56.287 0.040 0.000 0.796 391 K CB 2.166 34.647 32.500 -0.033 0.000 1.161 391 K HN -0.309 nan 8.250 nan 0.000 0.425 392 K N 0.605 121.034 120.400 0.048 0.000 2.288 392 K HA 0.017 4.335 4.320 -0.002 0.000 0.201 392 K C -0.081 176.544 176.600 0.042 0.000 1.048 392 K CA 0.973 57.316 56.287 0.094 0.000 0.956 392 K CB 0.081 32.586 32.500 0.007 0.000 0.746 392 K HN 0.547 nan 8.250 nan 0.000 0.461 393 D N 1.279 121.632 120.400 -0.079 0.000 2.274 393 D HA 0.079 4.718 4.640 -0.002 0.000 0.239 393 D C 0.328 176.389 176.300 -0.398 0.000 1.104 393 D CA -0.313 53.569 54.000 -0.196 0.000 0.840 393 D CB 1.222 41.937 40.800 -0.143 0.000 1.100 393 D HN 0.139 nan 8.370 nan 0.000 0.477 394 c N 0.950 119.131 118.600 -0.698 0.000 2.325 394 c HA 0.783 5.351 4.570 -0.002 0.000 0.370 394 c C 0.380 174.040 174.090 -0.715 0.000 1.217 394 c CA -0.528 55.164 56.329 -1.062 0.000 2.254 394 c CB 0.922 42.113 42.510 -2.198 0.000 2.282 394 c HN 0.470 nan 8.230 nan 0.000 0.564 395 T N 1.933 116.126 114.554 -0.602 0.000 2.791 395 T HA 0.456 4.805 4.350 -0.002 0.000 0.288 395 T C -0.679 173.825 174.700 -0.326 0.000 0.999 395 T CA 0.137 62.040 62.100 -0.328 0.000 0.952 395 T CB 0.271 69.085 68.868 -0.090 0.000 0.938 395 T HN 0.479 nan 8.240 nan 0.000 0.444 396 F N 3.475 123.322 119.950 -0.171 0.000 2.538 396 F HA 0.222 4.747 4.527 -0.002 0.000 0.371 396 F C 1.673 177.342 175.800 -0.219 0.000 1.087 396 F CA -0.836 57.055 58.000 -0.182 0.000 1.250 396 F CB 0.355 39.243 39.000 -0.186 0.000 1.110 396 F HN 0.578 nan 8.300 nan 0.000 0.570 397 I N -0.565 119.932 120.570 -0.122 0.000 3.968 397 I HA 0.229 4.397 4.170 -0.002 0.000 0.328 397 I C 0.207 176.170 176.117 -0.257 0.000 1.290 397 I CA 0.125 61.165 61.300 -0.434 0.000 1.163 397 I CB 0.001 37.471 38.000 -0.883 0.000 1.024 397 I HN 0.497 nan 8.210 nan 0.000 0.413 398 T N 0.079 114.537 114.554 -0.159 0.000 2.896 398 T HA 0.713 5.061 4.350 -0.002 0.000 0.297 398 T C -0.723 173.632 174.700 -0.574 0.000 1.108 398 T CA -0.675 61.314 62.100 -0.185 0.000 1.004 398 T CB 2.783 71.612 68.868 -0.065 0.000 1.159 398 T HN 0.508 nan 8.240 nan 0.000 0.499 399 K N -0.330 119.547 120.400 -0.872 0.000 2.658 399 K HA 0.751 5.070 4.320 -0.002 0.000 0.293 399 K C -0.469 175.463 176.600 -1.113 0.000 1.026 399 K CA -0.750 54.640 56.287 -1.495 0.000 0.871 399 K CB 1.174 33.211 32.500 -0.772 0.000 1.524 399 K HN 1.705 nan 8.250 nan 0.000 0.400 400 G N -0.149 108.042 108.800 -1.015 0.000 2.353 400 G HA2 0.094 4.053 3.960 -0.002 0.000 0.424 400 G HA3 0.094 4.053 3.960 -0.002 0.000 0.424 400 G C -0.745 173.615 174.900 -0.900 0.000 1.320 400 G CA -0.346 44.336 45.100 -0.695 0.000 0.995 400 G HN 1.087 nan 8.290 nan 0.000 0.580 401 T N -0.516 113.646 114.554 -0.655 0.000 3.783 401 T HA 0.564 4.913 4.350 -0.002 0.000 0.262 401 T C 0.235 174.669 174.700 -0.445 0.000 1.381 401 T CA 0.555 62.062 62.100 -0.988 0.000 1.155 401 T CB -0.950 67.618 68.868 -0.500 0.000 1.256 401 T HN 1.474 nan 8.240 nan 0.000 0.807 402 W N -0.418 120.649 121.300 -0.389 0.000 2.895 402 W HA 0.666 5.325 4.660 -0.002 0.000 0.377 402 W C -1.484 174.996 176.519 -0.065 0.000 1.191 402 W CA -1.000 56.288 57.345 -0.094 0.000 1.179 402 W CB 0.685 30.102 29.460 -0.072 0.000 1.469 402 W HN 0.160 nan 8.180 nan 0.000 0.577 403 E N 0.729 121.122 120.200 0.321 0.000 2.317 403 E HA 0.432 4.781 4.350 -0.002 0.000 0.270 403 E C -1.218 175.497 176.600 0.193 0.000 0.885 403 E CA -1.127 55.274 56.400 0.002 0.000 0.760 403 E CB 3.465 33.199 29.700 0.057 0.000 1.227 403 E HN 0.156 nan 8.360 nan 0.000 0.434 404 V N 4.016 123.907 119.914 -0.038 0.000 2.488 404 V HA 0.011 4.130 4.120 -0.002 0.000 0.277 404 V C 1.179 177.349 176.094 0.127 0.000 1.046 404 V CA 0.064 62.424 62.300 0.101 0.000 0.986 404 V CB 0.641 32.419 31.823 -0.075 0.000 0.989 404 V HN 0.700 nan 8.190 nan 0.000 0.475 405 I N 3.175 123.849 120.570 0.172 0.000 2.400 405 I HA 0.254 4.423 4.170 -0.002 0.000 0.248 405 I C 1.102 177.325 176.117 0.176 0.000 1.109 405 I CA 1.233 62.629 61.300 0.160 0.000 1.425 405 I CB -0.622 37.417 38.000 0.066 0.000 1.094 405 I HN 0.751 nan 8.210 nan 0.000 0.425 406 G N 0.601 109.505 108.800 0.174 0.000 2.632 406 G HA2 0.526 4.484 3.960 -0.002 0.000 0.292 406 G HA3 0.526 4.484 3.960 -0.002 0.000 0.292 406 G C -1.341 173.641 174.900 0.136 0.000 1.465 406 G CA -0.554 44.644 45.100 0.163 0.000 0.824 406 G HN -0.044 nan 8.290 nan 0.000 0.509 407 I N 1.674 122.254 120.570 0.017 0.000 2.304 407 I HA 0.251 4.420 4.170 -0.002 0.000 0.291 407 I C 0.674 176.733 176.117 -0.097 0.000 1.018 407 I CA -0.630 60.580 61.300 -0.151 0.000 1.260 407 I CB 1.787 39.397 38.000 -0.650 0.000 1.390 407 I HN 0.498 nan 8.210 nan 0.000 0.475 408 E N 4.962 125.165 120.200 0.005 0.000 2.216 408 E HA 0.285 4.634 4.350 -0.002 0.000 0.192 408 E C 0.291 176.798 176.600 -0.155 0.000 0.973 408 E CA 0.285 56.712 56.400 0.044 0.000 0.851 408 E CB 0.585 30.408 29.700 0.205 0.000 0.804 408 E HN 0.677 nan 8.360 nan 0.000 0.477 409 A N 0.384 123.020 122.820 -0.306 0.000 2.608 409 A HA 0.611 4.930 4.320 -0.002 0.000 0.292 409 A C -1.997 175.485 177.584 -0.169 0.000 1.066 409 A CA -0.666 51.116 52.037 -0.425 0.000 0.676 409 A CB 1.248 19.478 19.000 -1.283 0.000 1.277 409 A HN 0.043 nan 8.150 nan 0.000 0.413 410 L N 1.208 122.378 121.223 -0.088 0.000 2.476 410 L HA 0.784 5.123 4.340 -0.002 0.000 0.269 410 L C 0.061 176.953 176.870 0.036 0.000 0.965 410 L CA 0.518 55.346 54.840 -0.019 0.000 0.845 410 L CB 2.046 44.104 42.059 -0.001 0.000 1.259 410 L HN 1.255 nan 8.230 nan 0.000 0.403 411 T N -0.233 114.365 114.554 0.074 0.000 2.905 411 T HA 0.426 4.774 4.350 -0.002 0.000 0.283 411 T C 1.055 175.793 174.700 0.063 0.000 1.031 411 T CA 0.051 62.206 62.100 0.091 0.000 1.002 411 T CB 1.192 70.155 68.868 0.158 0.000 1.200 411 T HN 0.677 nan 8.240 nan 0.000 0.560 412 S N -0.492 115.243 115.700 0.060 0.000 2.474 412 S HA -0.059 4.409 4.470 -0.002 0.000 0.235 412 S C 0.655 175.235 174.600 -0.034 0.000 0.997 412 S CA 1.043 59.264 58.200 0.036 0.000 0.949 412 S CB -0.496 62.728 63.200 0.041 0.000 0.766 412 S HN 0.727 nan 8.310 nan 0.000 0.517 413 D N -1.109 119.243 120.400 -0.080 0.000 2.473 413 D HA 0.302 4.941 4.640 -0.002 0.000 0.230 413 D C -0.684 175.248 176.300 -0.613 0.000 1.097 413 D CA 0.323 54.126 54.000 -0.328 0.000 0.861 413 D CB 0.387 40.971 40.800 -0.359 0.000 1.114 413 D HN 0.418 nan 8.370 nan 0.000 0.500 414 Y N -0.064 120.182 120.300 -0.090 0.000 2.562 414 Y HA 0.501 5.050 4.550 -0.002 0.000 0.345 414 Y C -0.830 174.905 175.900 -0.275 0.000 1.045 414 Y CA -1.067 56.891 58.100 -0.236 0.000 1.028 414 Y CB 2.333 40.542 38.460 -0.419 0.000 1.297 414 Y HN -0.284 nan 8.280 nan 0.000 0.463 415 L N 2.842 123.954 121.223 -0.184 0.000 2.356 415 L HA 0.634 4.973 4.340 -0.002 0.000 0.277 415 L C -1.953 174.795 176.870 -0.203 0.000 0.996 415 L CA -0.634 54.084 54.840 -0.202 0.000 0.822 415 L CB 0.926 42.777 42.059 -0.346 0.000 1.256 415 L HN 0.606 nan 8.230 nan 0.000 0.413 416 Y N 4.908 125.121 120.300 -0.145 0.000 2.341 416 Y HA 0.549 5.098 4.550 -0.002 0.000 0.337 416 Y C -0.377 175.507 175.900 -0.028 0.000 1.014 416 Y CA -0.500 57.518 58.100 -0.137 0.000 1.111 416 Y CB 1.225 39.550 38.460 -0.226 0.000 1.194 416 Y HN 0.531 nan 8.280 nan 0.000 0.462 417 Y N 0.796 121.154 120.300 0.096 0.000 2.615 417 Y HA 0.824 5.373 4.550 -0.002 0.000 0.341 417 Y C -1.759 174.218 175.900 0.129 0.000 1.089 417 Y CA -1.842 56.301 58.100 0.072 0.000 1.049 417 Y CB 1.165 39.639 38.460 0.023 0.000 1.296 417 Y HN 0.290 nan 8.280 nan 0.000 0.470 418 I N 2.861 123.606 120.570 0.293 0.000 2.493 418 I HA 0.649 4.818 4.170 -0.002 0.000 0.298 418 I C -0.162 176.128 176.117 0.288 0.000 0.998 418 I CA -0.307 61.111 61.300 0.196 0.000 1.137 418 I CB 1.569 39.636 38.000 0.112 0.000 1.310 418 I HN 0.929 nan 8.210 nan 0.000 0.445 419 S N 3.590 119.414 115.700 0.206 0.000 2.656 419 S HA 0.459 4.928 4.470 -0.002 0.000 0.273 419 S C -0.576 174.054 174.600 0.049 0.000 1.168 419 S CA -0.797 57.499 58.200 0.161 0.000 0.817 419 S CB 1.851 65.154 63.200 0.172 0.000 1.146 419 S HN 0.567 nan 8.310 nan 0.000 0.475 420 N N -0.432 118.296 118.700 0.048 0.000 2.389 420 N HA 0.177 4.916 4.740 -0.002 0.000 0.260 420 N C 0.481 175.963 175.510 -0.046 0.000 1.191 420 N CA -0.330 52.716 53.050 -0.006 0.000 0.885 420 N CB 0.391 38.867 38.487 -0.017 0.000 1.162 420 N HN 0.802 nan 8.380 nan 0.000 0.512 421 E N -0.104 119.924 120.200 -0.287 0.000 2.072 421 E HA -0.188 4.161 4.350 -0.002 0.000 0.191 421 E C -0.352 176.110 176.600 -0.230 0.000 0.985 421 E CA 0.230 56.238 56.400 -0.653 0.000 0.801 421 E CB -0.063 28.610 29.700 -1.712 0.000 0.750 421 E HN 0.387 nan 8.360 nan 0.000 0.452 422 Y N 2.306 122.510 120.300 -0.161 0.000 2.852 422 Y HA -0.163 4.386 4.550 -0.002 0.000 0.343 422 Y C 0.375 176.245 175.900 -0.050 0.000 1.280 422 Y CA 0.879 58.940 58.100 -0.064 0.000 1.604 422 Y CB -0.123 38.325 38.460 -0.020 0.000 1.216 422 Y HN 0.101 nan 8.280 nan 0.000 0.541 423 K N 3.388 123.546 120.400 -0.404 0.000 3.193 423 K HA -0.246 4.073 4.320 -0.002 0.000 0.294 423 K C 0.855 177.401 176.600 -0.090 0.000 1.185 423 K CA 0.777 56.872 56.287 -0.320 0.000 0.866 423 K CB -1.807 30.424 32.500 -0.447 0.000 1.227 423 K HN 1.268 nan 8.250 nan 0.000 0.467 424 G N 0.805 109.570 108.800 -0.058 0.000 2.283 424 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.280 424 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.280 424 G C 0.018 174.918 174.900 -0.001 0.000 1.029 424 G CA 0.867 45.979 45.100 0.020 0.000 0.840 424 G HN 0.346 nan 8.290 nan 0.000 0.505 425 M N -0.146 119.381 119.600 -0.122 0.000 2.080 425 M HA 0.239 4.718 4.480 -0.002 0.000 0.350 425 M C -1.339 174.735 176.300 -0.377 0.000 1.143 425 M CA -1.998 53.074 55.300 -0.379 0.000 1.064 425 M CB 1.666 34.121 32.600 -0.242 0.000 1.429 425 M HN -0.145 nan 8.290 nan 0.000 0.418 426 P HA -0.105 nan 4.420 nan 0.000 0.221 426 P C 1.164 178.329 177.300 -0.224 0.000 1.145 426 P CA 1.028 63.959 63.100 -0.281 0.000 0.795 426 P CB 0.214 31.733 31.700 -0.301 0.000 0.775 427 G N -1.265 107.344 108.800 -0.318 0.000 3.233 427 G HA2 0.300 4.258 3.960 -0.002 0.000 0.227 427 G HA3 0.300 4.258 3.960 -0.002 0.000 0.227 427 G C 0.576 175.481 174.900 0.008 0.000 1.175 427 G CA 0.040 45.078 45.100 -0.103 0.000 0.781 427 G HN 0.365 nan 8.290 nan 0.000 0.542 428 G N -0.291 108.456 108.800 -0.088 0.000 2.441 428 G HA2 0.650 4.609 3.960 -0.002 0.000 0.334 428 G HA3 0.650 4.609 3.960 -0.002 0.000 0.334 428 G C -1.150 173.626 174.900 -0.207 0.000 1.161 428 G CA -0.825 44.248 45.100 -0.045 0.000 0.935 428 G HN 0.123 nan 8.290 nan 0.000 0.488 429 R N 0.428 120.764 120.500 -0.274 0.000 2.538 429 R HA 0.462 4.801 4.340 -0.002 0.000 0.292 429 R C -0.889 175.385 176.300 -0.043 0.000 1.008 429 R CA -0.711 55.211 56.100 -0.297 0.000 0.896 429 R CB 1.644 31.513 30.300 -0.719 0.000 1.187 429 R HN 0.555 nan 8.270 nan 0.000 0.440 430 N N 1.814 120.511 118.700 -0.005 0.000 2.284 430 N HA 0.355 5.094 4.740 -0.002 0.000 0.289 430 N C -1.574 173.835 175.510 -0.168 0.000 1.179 430 N CA -0.812 52.155 53.050 -0.137 0.000 0.774 430 N CB 2.608 40.910 38.487 -0.308 0.000 1.548 430 N HN 0.253 nan 8.380 nan 0.000 0.473 431 L N 2.124 123.099 121.223 -0.413 0.000 2.305 431 L HA 0.462 4.800 4.340 -0.002 0.000 0.281 431 L C -1.388 175.141 176.870 -0.568 0.000 1.085 431 L CA 0.057 54.690 54.840 -0.345 0.000 0.813 431 L CB -0.096 41.752 42.059 -0.352 0.000 1.157 431 L HN 0.398 nan 8.230 nan 0.000 0.436 432 Y N 3.515 123.461 120.300 -0.590 0.000 2.536 432 Y HA 0.576 5.125 4.550 -0.002 0.000 0.347 432 Y C -0.372 175.161 175.900 -0.611 0.000 1.000 432 Y CA -0.847 56.838 58.100 -0.692 0.000 1.051 432 Y CB 1.698 39.526 38.460 -1.053 0.000 1.259 432 Y HN 0.520 nan 8.280 nan 0.000 0.468 433 K N 3.059 123.274 120.400 -0.308 0.000 2.426 433 K HA 0.661 4.979 4.320 -0.002 0.000 0.254 433 K C -1.917 174.592 176.600 -0.152 0.000 0.936 433 K CA -0.534 55.501 56.287 -0.421 0.000 0.801 433 K CB 1.405 33.544 32.500 -0.603 0.000 1.139 433 K HN 0.797 nan 8.250 nan 0.000 0.424 434 I N 3.345 123.901 120.570 -0.024 0.000 2.465 434 I HA 0.223 4.392 4.170 -0.002 0.000 0.291 434 I C -0.756 175.481 176.117 0.201 0.000 1.014 434 I CA -0.716 60.669 61.300 0.141 0.000 1.093 434 I CB 1.786 39.902 38.000 0.193 0.000 1.267 434 I HN 0.762 nan 8.210 nan 0.000 0.431 435 Q N 6.145 126.072 119.800 0.213 0.000 2.281 435 Q HA 0.183 4.521 4.340 -0.002 0.000 0.267 435 Q C 0.387 176.378 176.000 -0.016 0.000 1.053 435 Q CA -0.128 55.668 55.803 -0.011 0.000 0.905 435 Q CB 1.092 29.837 28.738 0.013 0.000 1.195 435 Q HN 0.822 nan 8.270 nan 0.000 0.398 436 L N 2.406 123.542 121.223 -0.144 0.000 2.191 436 L HA -0.161 4.178 4.340 -0.002 0.000 0.212 436 L C 2.078 178.851 176.870 -0.163 0.000 1.103 436 L CA 1.287 56.114 54.840 -0.021 0.000 0.769 436 L CB -0.373 41.632 42.059 -0.090 0.000 0.908 436 L HN 0.670 nan 8.230 nan 0.000 0.438 437 S N -2.610 112.962 115.700 -0.215 0.000 2.593 437 S HA -0.012 4.456 4.470 -0.002 0.000 0.217 437 S C 0.452 174.900 174.600 -0.254 0.000 0.966 437 S CA -0.081 57.983 58.200 -0.227 0.000 0.914 437 S CB 0.090 63.188 63.200 -0.170 0.000 0.776 437 S HN 0.366 nan 8.310 nan 0.000 0.523 438 D N -0.109 120.153 120.400 -0.230 0.000 2.474 438 D HA 0.169 4.807 4.640 -0.002 0.000 0.234 438 D C -0.409 175.883 176.300 -0.013 0.000 1.323 438 D CA -0.505 53.397 54.000 -0.163 0.000 0.915 438 D CB -0.092 40.662 40.800 -0.076 0.000 1.487 438 D HN -0.037 nan 8.370 nan 0.000 0.524 439 Y N 0.756 121.047 120.300 -0.016 0.000 2.465 439 Y HA -0.142 4.407 4.550 -0.002 0.000 0.289 439 Y C 2.604 178.519 175.900 0.025 0.000 1.150 439 Y CA 1.602 59.704 58.100 0.004 0.000 1.293 439 Y CB -1.041 37.421 38.460 0.003 0.000 0.977 439 Y HN 0.430 nan 8.280 nan 0.000 0.556 440 T N -2.996 111.649 114.554 0.151 0.000 3.085 440 T HA -0.018 4.331 4.350 -0.002 0.000 0.263 440 T C 0.715 175.471 174.700 0.094 0.000 1.127 440 T CA 0.230 62.392 62.100 0.103 0.000 1.103 440 T CB -0.135 68.769 68.868 0.059 0.000 0.921 440 T HN -0.171 nan 8.240 nan 0.000 0.510 441 K N 2.041 122.502 120.400 0.101 0.000 2.231 441 K HA 0.555 4.874 4.320 -0.002 0.000 0.275 441 K C -1.312 175.359 176.600 0.118 0.000 1.105 441 K CA -0.392 55.951 56.287 0.095 0.000 0.931 441 K CB 0.979 33.533 32.500 0.090 0.000 1.296 441 K HN 0.143 nan 8.250 nan 0.000 0.446 442 V N 2.720 122.695 119.914 0.102 0.000 2.483 442 V HA 0.395 4.514 4.120 -0.002 0.000 0.297 442 V C -0.352 175.781 176.094 0.065 0.000 1.027 442 V CA -0.798 61.569 62.300 0.112 0.000 0.855 442 V CB 2.056 33.977 31.823 0.164 0.000 0.995 442 V HN 0.608 nan 8.190 nan 0.000 0.424 443 T N 3.408 117.958 114.554 -0.006 0.000 2.797 443 T HA 0.273 4.622 4.350 -0.002 0.000 0.279 443 T C -0.385 174.188 174.700 -0.212 0.000 0.991 443 T CA -0.283 61.760 62.100 -0.095 0.000 0.979 443 T CB 1.381 70.161 68.868 -0.146 0.000 0.943 443 T HN 0.755 nan 8.240 nan 0.000 0.444 444 C N 5.398 124.491 119.300 -0.345 0.000 2.303 444 C HA 0.433 4.892 4.460 -0.002 0.000 0.341 444 C C 1.561 176.189 174.990 -0.603 0.000 1.244 444 C CA -0.654 57.883 59.018 -0.801 0.000 1.765 444 C CB -1.946 25.219 27.740 -0.957 0.000 2.379 444 C HN 0.984 nan 8.230 nan 0.000 0.530 445 L N 4.828 125.689 121.223 -0.603 0.000 2.591 445 L HA 0.091 4.429 4.340 -0.002 0.000 0.228 445 L C 1.936 178.480 176.870 -0.543 0.000 1.133 445 L CA 0.798 55.362 54.840 -0.460 0.000 0.880 445 L CB -0.274 41.560 42.059 -0.374 0.000 1.033 445 L HN 0.910 nan 8.230 nan 0.000 0.450 446 S N -3.940 111.333 115.700 -0.713 0.000 2.651 446 S HA -0.007 4.462 4.470 -0.002 0.000 0.259 446 S C 1.747 175.930 174.600 -0.696 0.000 1.073 446 S CA -0.089 57.599 58.200 -0.853 0.000 1.090 446 S CB -0.277 62.046 63.200 -1.461 0.000 1.042 446 S HN 0.277 nan 8.310 nan 0.000 0.581 447 C N 2.938 121.792 119.300 -0.742 0.000 2.363 447 C HA -0.074 4.385 4.460 -0.002 0.000 0.274 447 C C 2.243 176.932 174.990 -0.502 0.000 1.183 447 C CA 1.360 59.861 59.018 -0.862 0.000 1.771 447 C CB -0.865 26.113 27.740 -1.271 0.000 2.059 447 C HN 0.615 nan 8.230 nan 0.000 0.455 448 E N 0.310 120.306 120.200 -0.340 0.000 2.476 448 E HA 0.176 4.525 4.350 -0.002 0.000 0.196 448 E C 1.819 178.364 176.600 -0.092 0.000 1.029 448 E CA -0.044 56.267 56.400 -0.148 0.000 0.896 448 E CB -0.259 29.375 29.700 -0.110 0.000 1.012 448 E HN 0.661 nan 8.360 nan 0.000 0.475 449 L N 0.566 121.723 121.223 -0.110 0.000 2.042 449 L HA -0.104 4.235 4.340 -0.002 0.000 0.210 449 L C 1.063 177.943 176.870 0.017 0.000 1.076 449 L CA 1.042 55.859 54.840 -0.039 0.000 0.749 449 L CB -0.080 41.968 42.059 -0.018 0.000 0.893 449 L HN 0.068 nan 8.230 nan 0.000 0.432 450 N N -1.589 117.139 118.700 0.047 0.000 3.111 450 N HA 0.065 4.804 4.740 -0.002 0.000 0.200 450 N C -2.116 173.429 175.510 0.060 0.000 1.464 450 N CA -0.790 52.285 53.050 0.043 0.000 0.758 450 N CB 0.799 39.306 38.487 0.033 0.000 1.548 450 N HN -0.188 nan 8.380 nan 0.000 0.595 451 P HA -0.158 nan 4.420 nan 0.000 0.216 451 P C 0.624 177.979 177.300 0.091 0.000 1.150 451 P CA 1.385 64.553 63.100 0.112 0.000 0.843 451 P CB 0.664 32.443 31.700 0.130 0.000 0.787 452 E N -0.473 119.758 120.200 0.052 0.000 2.122 452 E HA -0.080 4.269 4.350 -0.002 0.000 0.190 452 E C 2.424 179.031 176.600 0.012 0.000 0.977 452 E CA 0.455 56.875 56.400 0.032 0.000 0.820 452 E CB -0.179 29.532 29.700 0.018 0.000 0.770 452 E HN 0.213 nan 8.360 nan 0.000 0.462 453 R N 0.066 120.563 120.500 -0.005 0.000 2.156 453 R HA 0.082 4.421 4.340 -0.002 0.000 0.207 453 R C -0.129 176.129 176.300 -0.069 0.000 1.040 453 R CA 0.515 56.589 56.100 -0.044 0.000 1.013 453 R CB 0.450 30.715 30.300 -0.059 0.000 0.931 453 R HN 0.064 nan 8.270 nan 0.000 0.465 454 c N 0.861 119.434 118.600 -0.046 0.000 2.346 454 c HA 0.427 4.995 4.570 -0.002 0.000 0.326 454 c C -0.017 174.075 174.090 0.004 0.000 1.224 454 c CA -0.681 55.569 56.329 -0.131 0.000 1.408 454 c CB 1.466 43.835 42.510 -0.235 0.000 2.089 454 c HN 0.525 nan 8.230 nan 0.000 0.456 455 Q N 0.366 120.162 119.800 -0.007 0.000 2.113 455 Q HA 0.209 4.548 4.340 -0.002 0.000 0.225 455 Q C -0.936 175.148 176.000 0.140 0.000 0.786 455 Q CA 0.121 56.002 55.803 0.130 0.000 0.989 455 Q CB 1.280 30.100 28.738 0.137 0.000 1.174 455 Q HN 0.826 nan 8.270 nan 0.000 0.470 456 Y N 0.398 120.616 120.300 -0.137 0.000 2.333 456 Y HA 0.400 4.949 4.550 -0.002 0.000 0.324 456 Y C -1.554 174.216 175.900 -0.216 0.000 1.033 456 Y CA -0.954 57.088 58.100 -0.096 0.000 1.224 456 Y CB 0.949 39.353 38.460 -0.095 0.000 1.120 456 Y HN -0.083 nan 8.280 nan 0.000 0.457 457 Y N 2.184 122.447 120.300 -0.061 0.000 2.562 457 Y HA 0.682 5.230 4.550 -0.002 0.000 0.343 457 Y C -0.046 175.843 175.900 -0.019 0.000 1.025 457 Y CA -0.758 57.326 58.100 -0.026 0.000 1.082 457 Y CB 2.379 40.788 38.460 -0.086 0.000 1.264 457 Y HN 0.500 nan 8.280 nan 0.000 0.478 458 S N 0.584 116.413 115.700 0.216 0.000 2.569 458 S HA 0.857 5.326 4.470 -0.002 0.000 0.280 458 S C -1.738 172.967 174.600 0.174 0.000 1.111 458 S CA -0.737 57.567 58.200 0.173 0.000 0.887 458 S CB 1.784 65.093 63.200 0.182 0.000 1.095 458 S HN 0.648 nan 8.310 nan 0.000 0.476 459 V N 0.616 120.627 119.914 0.161 0.000 3.078 459 V HA 0.895 5.014 4.120 -0.002 0.000 0.311 459 V C -1.114 175.089 176.094 0.182 0.000 1.138 459 V CA -0.338 62.036 62.300 0.125 0.000 1.007 459 V CB 2.378 34.203 31.823 0.003 0.000 1.045 459 V HN 1.192 nan 8.190 nan 0.000 0.432 460 S N 4.121 119.919 115.700 0.164 0.000 2.746 460 S HA 0.625 5.094 4.470 -0.002 0.000 0.273 460 S C -1.162 173.611 174.600 0.287 0.000 1.172 460 S CA -0.408 57.978 58.200 0.311 0.000 1.116 460 S CB 0.240 63.667 63.200 0.379 0.000 1.057 460 S HN 0.482 nan 8.310 nan 0.000 0.483 461 F N 3.067 123.074 119.950 0.095 0.000 2.382 461 F HA 0.431 4.957 4.527 -0.002 0.000 0.331 461 F C 1.503 176.903 175.800 -0.667 0.000 1.121 461 F CA -0.184 57.709 58.000 -0.178 0.000 1.183 461 F CB 1.186 40.054 39.000 -0.220 0.000 1.207 461 F HN 0.619 nan 8.300 nan 0.000 0.555 462 S N 1.297 116.419 115.700 -0.963 0.000 2.626 462 S HA 0.175 4.644 4.470 -0.002 0.000 0.257 462 S C 1.221 175.549 174.600 -0.453 0.000 1.288 462 S CA -0.729 56.601 58.200 -1.450 0.000 0.980 462 S CB 0.779 63.206 63.200 -1.289 0.000 0.975 462 S HN 0.557 nan 8.310 nan 0.000 0.577 463 K N 0.857 121.124 120.400 -0.223 0.000 2.052 463 K HA -0.140 4.179 4.320 -0.002 0.000 0.215 463 K C 1.317 177.887 176.600 -0.051 0.000 1.053 463 K CA 2.198 58.457 56.287 -0.047 0.000 0.934 463 K CB -0.424 32.090 32.500 0.023 0.000 0.717 463 K HN 0.803 nan 8.250 nan 0.000 0.450 464 E N -1.399 118.747 120.200 -0.089 0.000 2.585 464 E HA 0.343 4.692 4.350 -0.002 0.000 0.206 464 E C -0.413 176.139 176.600 -0.080 0.000 1.007 464 E CA 0.290 56.654 56.400 -0.060 0.000 1.028 464 E CB 0.633 30.307 29.700 -0.044 0.000 1.087 464 E HN 0.307 nan 8.360 nan 0.000 0.455 465 A N 1.474 124.234 122.820 -0.100 0.000 2.826 465 A HA -0.326 3.993 4.320 -0.002 0.000 0.274 465 A C 1.428 178.989 177.584 -0.038 0.000 1.443 465 A CA 1.595 53.617 52.037 -0.025 0.000 0.833 465 A CB -1.885 16.998 19.000 -0.195 0.000 1.023 465 A HN 0.349 nan 8.150 nan 0.000 0.600 466 K N -1.843 118.461 120.400 -0.161 0.000 2.217 466 K HA 0.101 4.420 4.320 -0.002 0.000 0.202 466 K C 0.023 176.276 176.600 -0.578 0.000 1.051 466 K CA 1.392 57.480 56.287 -0.331 0.000 0.952 466 K CB -0.002 32.276 32.500 -0.371 0.000 0.736 466 K HN 0.697 nan 8.250 nan 0.000 0.453 467 Y N -1.038 119.159 120.300 -0.171 0.000 2.588 467 Y HA 0.312 4.861 4.550 -0.002 0.000 0.343 467 Y C -1.119 174.671 175.900 -0.183 0.000 1.065 467 Y CA -1.401 56.603 58.100 -0.160 0.000 1.038 467 Y CB 1.691 40.094 38.460 -0.094 0.000 1.297 467 Y HN -0.047 nan 8.280 nan 0.000 0.467 468 Y N -0.850 119.409 120.300 -0.069 0.000 2.479 468 Y HA 0.509 5.058 4.550 -0.002 0.000 0.338 468 Y C -1.194 174.715 175.900 0.015 0.000 1.055 468 Y CA -1.427 56.495 58.100 -0.296 0.000 1.023 468 Y CB 1.429 39.220 38.460 -1.114 0.000 1.287 468 Y HN 0.606 nan 8.280 nan 0.000 0.447 469 Q N 4.216 124.150 119.800 0.223 0.000 2.257 469 Q HA 0.570 4.909 4.340 -0.002 0.000 0.255 469 Q C -1.750 174.365 176.000 0.192 0.000 0.920 469 Q CA -0.673 55.222 55.803 0.152 0.000 0.927 469 Q CB 1.262 30.055 28.738 0.093 0.000 1.229 469 Q HN 0.975 nan 8.270 nan 0.000 0.433 470 L N 4.083 125.445 121.223 0.233 0.000 2.309 470 L HA 0.541 4.879 4.340 -0.002 0.000 0.282 470 L C -0.081 176.904 176.870 0.192 0.000 1.036 470 L CA -0.564 54.426 54.840 0.251 0.000 0.806 470 L CB 1.573 43.811 42.059 0.299 0.000 1.220 470 L HN 0.596 nan 8.230 nan 0.000 0.429 471 R N 3.123 123.716 120.500 0.156 0.000 2.320 471 R HA 0.331 4.670 4.340 -0.002 0.000 0.319 471 R C -0.957 175.224 176.300 -0.199 0.000 0.969 471 R CA -0.474 55.570 56.100 -0.094 0.000 0.857 471 R CB 1.173 31.486 30.300 0.022 0.000 1.160 471 R HN 0.738 nan 8.270 nan 0.000 0.491 472 c N 3.985 122.331 118.600 -0.423 0.000 2.415 472 c HA 0.409 4.978 4.570 -0.002 0.000 0.369 472 c C 1.335 175.175 174.090 -0.417 0.000 1.279 472 c CA -0.160 55.797 56.329 -0.620 0.000 1.886 472 c CB 0.421 42.555 42.510 -0.625 0.000 2.468 472 c HN 0.954 nan 8.230 nan 0.000 0.553 473 S N 3.760 119.298 115.700 -0.270 0.000 2.629 473 S HA 0.606 5.075 4.470 -0.002 0.000 0.236 473 S C 0.373 174.906 174.600 -0.112 0.000 1.010 473 S CA 0.265 58.365 58.200 -0.165 0.000 0.981 473 S CB 0.014 63.149 63.200 -0.109 0.000 0.919 473 S HN 1.947 nan 8.310 nan 0.000 0.514 474 G N 1.794 110.519 108.800 -0.125 0.000 2.321 474 G HA2 0.368 4.326 3.960 -0.002 0.000 0.298 474 G HA3 0.368 4.326 3.960 -0.002 0.000 0.298 474 G C -2.987 171.887 174.900 -0.042 0.000 1.385 474 G CA -0.432 44.641 45.100 -0.046 0.000 0.856 474 G HN -0.134 nan 8.290 nan 0.000 0.584 475 P HA 0.104 nan 4.420 nan 0.000 0.230 475 P C 1.261 178.585 177.300 0.039 0.000 1.158 475 P CA 1.403 64.528 63.100 0.041 0.000 0.769 475 P CB 0.321 32.044 31.700 0.038 0.000 0.807 476 G N 0.235 108.993 108.800 -0.070 0.000 2.510 476 G HA2 0.425 4.384 3.960 -0.002 0.000 0.280 476 G HA3 0.425 4.384 3.960 -0.002 0.000 0.280 476 G C -0.269 174.404 174.900 -0.378 0.000 1.386 476 G CA -0.765 44.221 45.100 -0.191 0.000 1.047 476 G HN 0.032 nan 8.290 nan 0.000 0.527 477 L N 0.974 121.901 121.223 -0.493 0.000 2.461 477 L HA 0.172 4.510 4.340 -0.002 0.000 0.272 477 L C -1.890 174.805 176.870 -0.292 0.000 1.197 477 L CA -1.281 53.236 54.840 -0.538 0.000 0.836 477 L CB 0.715 42.529 42.059 -0.407 0.000 1.105 477 L HN 0.230 nan 8.230 nan 0.000 0.477 478 P HA 0.027 nan 4.420 nan 0.000 0.264 478 P C -0.957 176.203 177.300 -0.233 0.000 1.193 478 P CA 0.024 62.987 63.100 -0.228 0.000 0.763 478 P CB 0.556 32.188 31.700 -0.114 0.000 0.810 479 L N 5.686 126.696 121.223 -0.355 0.000 2.381 479 L HA 0.487 4.826 4.340 -0.002 0.000 0.274 479 L C -1.692 174.973 176.870 -0.343 0.000 0.988 479 L CA -0.762 53.941 54.840 -0.228 0.000 0.824 479 L CB 0.884 42.854 42.059 -0.148 0.000 1.263 479 L HN 0.242 nan 8.230 nan 0.000 0.410 480 Y N 2.813 123.063 120.300 -0.083 0.000 2.335 480 Y HA 0.735 5.284 4.550 -0.002 0.000 0.338 480 Y C 0.476 176.256 175.900 -0.199 0.000 0.977 480 Y CA -0.401 57.628 58.100 -0.119 0.000 1.114 480 Y CB 2.117 40.481 38.460 -0.160 0.000 1.182 480 Y HN 0.692 nan 8.280 nan 0.000 0.463 481 T N 0.881 115.413 114.554 -0.037 0.000 2.896 481 T HA 0.680 5.029 4.350 -0.002 0.000 0.297 481 T C -1.597 172.899 174.700 -0.341 0.000 1.108 481 T CA -0.886 61.089 62.100 -0.209 0.000 1.004 481 T CB 1.923 70.702 68.868 -0.149 0.000 1.159 481 T HN 0.387 nan 8.240 nan 0.000 0.499 482 L N 1.965 122.862 121.223 -0.543 0.000 2.334 482 L HA 0.646 4.985 4.340 -0.002 0.000 0.276 482 L C -0.832 175.576 176.870 -0.770 0.000 1.014 482 L CA -0.299 54.264 54.840 -0.461 0.000 0.815 482 L CB 1.149 43.043 42.059 -0.274 0.000 1.268 482 L HN 0.825 nan 8.230 nan 0.000 0.428 483 H N 1.445 120.292 119.070 -0.372 0.000 2.895 483 H HA 0.534 5.089 4.556 -0.002 0.000 0.373 483 H C -0.948 174.108 175.328 -0.453 0.000 1.174 483 H CA -0.805 54.914 56.048 -0.549 0.000 1.144 483 H CB 2.034 31.141 29.762 -1.092 0.000 1.793 483 H HN 0.571 nan 8.280 nan 0.000 0.551 484 S N 0.428 116.039 115.700 -0.148 0.000 2.437 484 S HA 0.220 4.689 4.470 -0.002 0.000 0.305 484 S C 0.707 175.241 174.600 -0.110 0.000 1.109 484 S CA -0.728 57.387 58.200 -0.141 0.000 1.099 484 S CB 1.705 64.868 63.200 -0.061 0.000 1.004 484 S HN 0.551 nan 8.310 nan 0.000 0.475 485 S N 2.169 117.824 115.700 -0.075 0.000 2.402 485 S HA -0.099 4.370 4.470 -0.002 0.000 0.229 485 S C 1.848 176.475 174.600 0.044 0.000 1.021 485 S CA 0.833 59.113 58.200 0.133 0.000 0.974 485 S CB -0.377 62.904 63.200 0.136 0.000 0.800 485 S HN 0.684 nan 8.310 nan 0.000 0.484 486 V N 3.722 123.609 119.914 -0.046 0.000 2.568 486 V HA -0.189 3.930 4.120 -0.002 0.000 0.253 486 V C 1.235 177.331 176.094 0.002 0.000 1.072 486 V CA 2.187 64.477 62.300 -0.017 0.000 1.084 486 V CB -0.568 31.230 31.823 -0.041 0.000 0.676 486 V HN 0.835 nan 8.190 nan 0.000 0.469 487 N N -3.491 115.207 118.700 -0.002 0.000 2.082 487 N HA 0.055 4.794 4.740 -0.002 0.000 0.228 487 N C -0.217 175.295 175.510 0.004 0.000 1.341 487 N CA 0.285 53.336 53.050 0.002 0.000 0.873 487 N CB 0.612 39.101 38.487 0.004 0.000 1.137 487 N HN 0.262 nan 8.380 nan 0.000 0.505 488 D N 0.905 121.321 120.400 0.028 0.000 2.837 488 D HA -0.112 4.527 4.640 -0.002 0.000 0.230 488 D C -0.650 175.663 176.300 0.021 0.000 1.152 488 D CA 1.126 55.160 54.000 0.056 0.000 0.736 488 D CB -0.424 40.390 40.800 0.022 0.000 1.084 488 D HN 0.395 nan 8.370 nan 0.000 0.429 489 K N 0.212 120.621 120.400 0.016 0.000 2.130 489 K HA 0.514 4.833 4.320 -0.002 0.000 0.268 489 K C 0.869 177.504 176.600 0.059 0.000 0.983 489 K CA -0.482 55.822 56.287 0.027 0.000 0.893 489 K CB 1.276 33.783 32.500 0.012 0.000 1.066 489 K HN 0.095 nan 8.250 nan 0.000 0.450 490 G N 2.364 111.219 108.800 0.091 0.000 2.361 490 G HA2 0.205 4.164 3.960 -0.002 0.000 0.260 490 G HA3 0.205 4.164 3.960 -0.002 0.000 0.260 490 G C 0.933 175.769 174.900 -0.108 0.000 1.261 490 G CA -0.354 44.753 45.100 0.012 0.000 0.897 490 G HN 0.516 nan 8.290 nan 0.000 0.499 491 L N 1.791 122.890 121.223 -0.206 0.000 2.102 491 L HA 0.271 4.610 4.340 -0.002 0.000 0.202 491 L C 1.650 178.443 176.870 -0.129 0.000 1.076 491 L CA 0.899 55.666 54.840 -0.123 0.000 0.761 491 L CB -0.184 41.816 42.059 -0.098 0.000 0.921 491 L HN 0.789 nan 8.230 nan 0.000 0.444 492 R N -2.287 118.088 120.500 -0.208 0.000 2.829 492 R HA 0.367 4.706 4.340 -0.002 0.000 0.283 492 R C -1.722 174.442 176.300 -0.227 0.000 1.013 492 R CA -0.915 55.083 56.100 -0.170 0.000 0.848 492 R CB 1.224 31.450 30.300 -0.125 0.000 1.291 492 R HN -0.290 nan 8.270 nan 0.000 0.496 493 V N 2.668 122.477 119.914 -0.175 0.000 2.432 493 V HA 0.220 4.339 4.120 -0.002 0.000 0.275 493 V C 1.237 177.183 176.094 -0.246 0.000 1.043 493 V CA -0.468 61.725 62.300 -0.179 0.000 0.925 493 V CB 1.250 33.008 31.823 -0.107 0.000 0.985 493 V HN 0.640 nan 8.190 nan 0.000 0.466 494 L N 2.552 123.556 121.223 -0.365 0.000 2.202 494 L HA 0.294 4.633 4.340 -0.002 0.000 0.205 494 L C 0.660 177.263 176.870 -0.445 0.000 1.083 494 L CA 0.680 55.110 54.840 -0.684 0.000 0.790 494 L CB 0.259 41.524 42.059 -1.323 0.000 0.942 494 L HN 0.719 nan 8.230 nan 0.000 0.452 495 E N -0.138 119.956 120.200 -0.176 0.000 2.406 495 E HA 0.065 4.414 4.350 -0.002 0.000 0.297 495 E C -1.150 175.507 176.600 0.095 0.000 0.917 495 E CA -0.317 56.093 56.400 0.017 0.000 0.795 495 E CB 0.971 30.726 29.700 0.092 0.000 1.285 495 E HN 0.140 nan 8.360 nan 0.000 0.400 496 D N 3.201 123.627 120.400 0.045 0.000 2.433 496 D HA 0.134 4.773 4.640 -0.002 0.000 0.211 496 D C -0.304 176.005 176.300 0.017 0.000 1.114 496 D CA -0.208 53.803 54.000 0.018 0.000 0.837 496 D CB -0.033 40.759 40.800 -0.013 0.000 0.984 496 D HN 0.448 nan 8.370 nan 0.000 0.505 497 N N 0.539 119.269 118.700 0.050 0.000 2.740 497 N HA -0.201 4.538 4.740 -0.002 0.000 0.248 497 N C 0.957 176.475 175.510 0.014 0.000 1.062 497 N CA 0.880 53.954 53.050 0.040 0.000 0.704 497 N CB -1.301 37.199 38.487 0.022 0.000 0.968 497 N HN 0.490 nan 8.380 nan 0.000 0.547 498 S N -0.987 114.723 115.700 0.017 0.000 2.368 498 S HA -0.027 4.442 4.470 -0.002 0.000 0.224 498 S C 2.125 176.741 174.600 0.026 0.000 1.029 498 S CA 0.971 59.178 58.200 0.011 0.000 0.988 498 S CB -0.214 62.992 63.200 0.011 0.000 0.838 498 S HN 0.511 nan 8.310 nan 0.000 0.462 499 A N 2.540 125.383 122.820 0.038 0.000 1.859 499 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 499 A C 2.294 179.918 177.584 0.067 0.000 1.198 499 A CA 1.899 53.965 52.037 0.049 0.000 0.629 499 A CB -1.192 17.838 19.000 0.051 0.000 0.830 499 A HN 0.573 nan 8.150 nan 0.000 0.446 500 L N 0.377 121.646 121.223 0.076 0.000 2.042 500 L HA -0.195 4.144 4.340 -0.002 0.000 0.210 500 L C 1.939 178.865 176.870 0.092 0.000 1.076 500 L CA 2.971 57.880 54.840 0.114 0.000 0.749 500 L CB -0.883 41.243 42.059 0.112 0.000 0.893 500 L HN 0.527 nan 8.230 nan 0.000 0.432 501 D N -0.739 119.681 120.400 0.033 0.000 2.123 501 D HA -0.257 4.382 4.640 -0.002 0.000 0.196 501 D C 2.176 178.496 176.300 0.033 0.000 0.992 501 D CA 1.242 55.244 54.000 0.003 0.000 0.833 501 D CB -0.114 40.671 40.800 -0.025 0.000 0.954 501 D HN 0.169 nan 8.370 nan 0.000 0.455 502 K N 0.170 120.599 120.400 0.047 0.000 2.009 502 K HA -0.145 4.174 4.320 -0.002 0.000 0.210 502 K C 2.189 178.842 176.600 0.088 0.000 1.049 502 K CA 1.214 57.534 56.287 0.055 0.000 0.929 502 K CB -0.499 32.031 32.500 0.051 0.000 0.714 502 K HN 0.313 nan 8.250 nan 0.000 0.440 503 M N 0.657 120.335 119.600 0.131 0.000 2.065 503 M HA -0.189 4.290 4.480 -0.002 0.000 0.259 503 M C 2.235 178.672 176.300 0.228 0.000 1.069 503 M CA 1.562 56.994 55.300 0.220 0.000 1.110 503 M CB -0.410 32.382 32.600 0.320 0.000 1.328 503 M HN 0.052 nan 8.290 nan 0.000 0.405 504 L N 0.087 121.403 121.223 0.155 0.000 2.447 504 L HA -0.215 4.124 4.340 -0.002 0.000 0.225 504 L C 2.565 179.449 176.870 0.024 0.000 1.148 504 L CA 0.583 55.440 54.840 0.028 0.000 0.808 504 L CB -0.770 41.289 42.059 0.001 0.000 0.928 504 L HN 0.423 nan 8.230 nan 0.000 0.448 505 Q N 0.308 120.138 119.800 0.050 0.000 2.119 505 Q HA -0.129 4.210 4.340 -0.002 0.000 0.201 505 Q C 1.245 177.274 176.000 0.049 0.000 0.972 505 Q CA 1.222 57.048 55.803 0.039 0.000 0.847 505 Q CB -0.421 28.341 28.738 0.040 0.000 0.903 505 Q HN 0.573 nan 8.270 nan 0.000 0.433 506 N N -0.123 118.623 118.700 0.075 0.000 2.413 506 N HA 0.076 4.814 4.740 -0.002 0.000 0.207 506 N C -0.766 174.795 175.510 0.084 0.000 1.206 506 N CA 0.061 53.161 53.050 0.083 0.000 0.832 506 N CB 0.612 39.161 38.487 0.104 0.000 1.037 506 N HN -0.105 nan 8.380 nan 0.000 0.467 507 V N 0.444 120.388 119.914 0.051 0.000 2.709 507 V HA 0.211 4.330 4.120 -0.002 0.000 0.308 507 V C -0.248 175.851 176.094 0.009 0.000 1.062 507 V CA -0.978 61.340 62.300 0.031 0.000 0.901 507 V CB 2.414 34.210 31.823 -0.045 0.000 1.003 507 V HN 0.094 nan 8.190 nan 0.000 0.425 508 Q N 4.074 123.887 119.800 0.022 0.000 2.837 508 Q HA 0.293 4.632 4.340 -0.002 0.000 0.235 508 Q C -0.324 175.645 176.000 -0.052 0.000 1.348 508 Q CA -0.250 55.544 55.803 -0.016 0.000 0.990 508 Q CB 0.251 29.000 28.738 0.019 0.000 1.570 508 Q HN 0.527 nan 8.270 nan 0.000 0.575 509 M N 3.054 122.611 119.600 -0.071 0.000 2.243 509 M HA 0.239 4.718 4.480 -0.002 0.000 0.341 509 M C -1.833 174.391 176.300 -0.127 0.000 1.130 509 M CA -2.134 53.108 55.300 -0.098 0.000 1.162 509 M CB -0.368 32.183 32.600 -0.082 0.000 1.497 509 M HN 0.254 nan 8.290 nan 0.000 0.456 510 P HA 0.250 nan 4.420 nan 0.000 0.277 510 P C -0.859 176.349 177.300 -0.153 0.000 1.271 510 P CA -0.374 62.624 63.100 -0.169 0.000 0.795 510 P CB 0.700 32.283 31.700 -0.195 0.000 1.101 511 S N -0.979 114.619 115.700 -0.170 0.000 2.648 511 S HA 0.606 5.075 4.470 -0.002 0.000 0.305 511 S C -0.601 173.897 174.600 -0.169 0.000 1.094 511 S CA -0.815 57.301 58.200 -0.141 0.000 0.983 511 S CB 1.893 65.014 63.200 -0.132 0.000 1.101 511 S HN 0.507 nan 8.310 nan 0.000 0.514 512 K N 0.468 120.792 120.400 -0.126 0.000 2.345 512 K HA 0.500 4.819 4.320 -0.002 0.000 0.255 512 K C -1.449 175.085 176.600 -0.110 0.000 0.934 512 K CA -0.622 55.590 56.287 -0.125 0.000 0.801 512 K CB 1.168 33.616 32.500 -0.087 0.000 1.137 512 K HN 0.555 nan 8.250 nan 0.000 0.424 513 K N 4.723 125.043 120.400 -0.134 0.000 2.307 513 K HA 0.328 4.647 4.320 -0.002 0.000 0.263 513 K C -1.796 174.738 176.600 -0.110 0.000 0.973 513 K CA -0.731 55.485 56.287 -0.118 0.000 0.846 513 K CB 1.012 33.420 32.500 -0.153 0.000 1.100 513 K HN 0.470 nan 8.250 nan 0.000 0.438 514 L N 4.029 125.205 121.223 -0.079 0.000 2.319 514 L HA 0.611 4.950 4.340 -0.002 0.000 0.281 514 L C -1.167 175.665 176.870 -0.064 0.000 1.005 514 L CA 0.243 55.060 54.840 -0.039 0.000 0.828 514 L CB 1.208 43.321 42.059 0.089 0.000 1.227 514 L HN 0.855 nan 8.230 nan 0.000 0.415 515 D N 2.933 123.125 120.400 -0.347 0.000 3.057 515 D HA 0.565 5.204 4.640 -0.002 0.000 0.328 515 D C -1.561 174.369 176.300 -0.617 0.000 1.317 515 D CA 0.034 53.733 54.000 -0.503 0.000 0.973 515 D CB 1.421 41.898 40.800 -0.539 0.000 1.424 515 D HN 0.204 nan 8.370 nan 0.000 0.569 516 F N -0.235 119.401 119.950 -0.523 0.000 2.662 516 F HA 0.693 5.219 4.527 -0.002 0.000 0.312 516 F C -1.105 174.744 175.800 0.082 0.000 1.113 516 F CA -1.230 56.552 58.000 -0.363 0.000 0.951 516 F CB 0.774 39.066 39.000 -1.180 0.000 1.344 516 F HN 0.287 nan 8.300 nan 0.000 0.462 517 I N 0.282 121.186 120.570 0.556 0.000 2.689 517 I HA 0.679 4.848 4.170 -0.002 0.000 0.299 517 I C -1.393 174.956 176.117 0.386 0.000 1.059 517 I CA -1.123 60.428 61.300 0.419 0.000 1.055 517 I CB 2.380 40.572 38.000 0.320 0.000 1.243 517 I HN 0.649 nan 8.210 nan 0.000 0.425 518 I N 5.839 126.569 120.570 0.268 0.000 2.331 518 I HA 0.408 4.577 4.170 -0.002 0.000 0.292 518 I C -0.658 175.570 176.117 0.185 0.000 0.998 518 I CA -0.493 60.916 61.300 0.183 0.000 1.267 518 I CB 1.404 39.473 38.000 0.115 0.000 1.386 518 I HN 0.401 nan 8.210 nan 0.000 0.476 519 L N 6.556 127.927 121.223 0.246 0.000 2.406 519 L HA 0.403 4.742 4.340 -0.002 0.000 0.272 519 L C -0.301 176.681 176.870 0.187 0.000 0.980 519 L CA -0.760 54.223 54.840 0.239 0.000 0.831 519 L CB 1.526 43.800 42.059 0.360 0.000 1.253 519 L HN 0.610 nan 8.230 nan 0.000 0.406 520 N N 2.374 121.133 118.700 0.098 0.000 2.727 520 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 520 N C 0.095 175.624 175.510 0.033 0.000 1.048 520 N CA 1.266 54.351 53.050 0.058 0.000 0.714 520 N CB -1.002 37.522 38.487 0.062 0.000 0.959 520 N HN 0.846 nan 8.380 nan 0.000 0.544 521 E N -4.074 116.140 120.200 0.023 0.000 3.370 521 E HA -0.276 4.073 4.350 -0.002 0.000 0.291 521 E C -0.615 175.952 176.600 -0.055 0.000 0.916 521 E CA 1.450 57.845 56.400 -0.009 0.000 0.981 521 E CB -1.505 28.188 29.700 -0.012 0.000 1.498 521 E HN 0.530 nan 8.360 nan 0.000 0.452 522 T N 0.570 115.080 114.554 -0.073 0.000 2.823 522 T HA 0.374 4.723 4.350 -0.002 0.000 0.279 522 T C -0.103 174.371 174.700 -0.376 0.000 0.998 522 T CA -0.678 61.273 62.100 -0.248 0.000 0.994 522 T CB 1.920 70.596 68.868 -0.321 0.000 0.960 522 T HN 0.081 nan 8.240 nan 0.000 0.448 523 K N 2.497 122.618 120.400 -0.465 0.000 2.258 523 K HA 0.452 4.771 4.320 -0.002 0.000 0.284 523 K C -1.441 174.844 176.600 -0.525 0.000 1.051 523 K CA -0.344 55.676 56.287 -0.446 0.000 0.923 523 K CB 0.308 32.465 32.500 -0.572 0.000 1.046 523 K HN 0.362 nan 8.250 nan 0.000 0.474 524 F N 4.014 124.004 119.950 0.066 0.000 2.507 524 F HA 0.350 4.876 4.527 -0.002 0.000 0.328 524 F C -0.743 175.162 175.800 0.175 0.000 1.136 524 F CA -0.640 57.436 58.000 0.127 0.000 0.930 524 F CB 0.810 39.922 39.000 0.186 0.000 1.166 524 F HN 0.499 nan 8.300 nan 0.000 0.436 525 W N 3.767 125.226 121.300 0.265 0.000 2.215 525 W HA 0.502 5.161 4.660 -0.002 0.000 0.342 525 W C -0.476 176.243 176.519 0.333 0.000 1.237 525 W CA -0.366 57.154 57.345 0.291 0.000 1.283 525 W CB 0.431 29.997 29.460 0.178 0.000 1.131 525 W HN 0.466 nan 8.180 nan 0.000 0.606 526 Y N -0.865 119.766 120.300 0.551 0.000 2.656 526 Y HA 0.576 5.125 4.550 -0.002 0.000 0.334 526 Y C -1.213 174.902 175.900 0.358 0.000 1.179 526 Y CA -1.899 56.516 58.100 0.525 0.000 1.050 526 Y CB 0.925 39.877 38.460 0.819 0.000 1.308 526 Y HN 0.575 nan 8.280 nan 0.000 0.456 527 Q N 2.239 122.270 119.800 0.385 0.000 2.421 527 Q HA 0.808 5.146 4.340 -0.002 0.000 0.280 527 Q C -1.865 174.237 176.000 0.170 0.000 1.085 527 Q CA -1.233 54.661 55.803 0.151 0.000 0.807 527 Q CB 3.478 32.277 28.738 0.102 0.000 1.405 527 Q HN 0.837 nan 8.270 nan 0.000 0.419 528 M N 2.317 121.928 119.600 0.019 0.000 2.267 528 M HA 0.416 4.895 4.480 -0.002 0.000 0.289 528 M C -1.240 174.952 176.300 -0.180 0.000 1.043 528 M CA -0.862 54.376 55.300 -0.103 0.000 0.928 528 M CB 2.245 34.723 32.600 -0.203 0.000 1.613 528 M HN 0.588 nan 8.290 nan 0.000 0.450 529 I N 5.117 125.584 120.570 -0.172 0.000 2.294 529 I HA 0.291 4.460 4.170 -0.002 0.000 0.295 529 I C -0.294 175.650 176.117 -0.288 0.000 1.098 529 I CA -0.127 61.050 61.300 -0.205 0.000 1.277 529 I CB -0.191 37.709 38.000 -0.167 0.000 1.434 529 I HN 0.654 nan 8.210 nan 0.000 0.498 530 L N 8.918 129.916 121.223 -0.376 0.000 2.312 530 L HA 0.408 4.747 4.340 -0.002 0.000 0.281 530 L C -1.872 174.799 176.870 -0.333 0.000 1.070 530 L CA -1.727 52.802 54.840 -0.518 0.000 0.805 530 L CB 1.029 42.586 42.059 -0.836 0.000 1.174 530 L HN 0.306 nan 8.230 nan 0.000 0.434 531 P HA 0.144 nan 4.420 nan 0.000 0.271 531 P C -2.631 174.604 177.300 -0.109 0.000 1.233 531 P CA -1.414 61.598 63.100 -0.146 0.000 0.789 531 P CB -0.317 31.351 31.700 -0.052 0.000 0.951 532 P HA -0.044 nan 4.420 nan 0.000 0.267 532 P C -0.093 177.106 177.300 -0.169 0.000 1.200 532 P CA 0.869 63.806 63.100 -0.271 0.000 0.772 532 P CB -0.386 31.113 31.700 -0.335 0.000 0.855 533 H N -0.827 118.271 119.070 0.047 0.000 2.791 533 H HA -0.204 4.351 4.556 -0.002 0.000 0.302 533 H C 0.047 175.423 175.328 0.081 0.000 1.198 533 H CA -0.068 56.012 56.048 0.053 0.000 1.145 533 H CB -2.295 27.494 29.762 0.045 0.000 1.385 533 H HN 0.386 nan 8.280 nan 0.000 0.409 534 F N 2.657 122.577 119.950 -0.049 0.000 2.593 534 F HA 0.072 4.598 4.527 -0.002 0.000 0.393 534 F C 0.615 176.397 175.800 -0.029 0.000 1.037 534 F CA 0.024 57.928 58.000 -0.159 0.000 1.195 534 F CB 0.423 39.222 39.000 -0.335 0.000 1.034 534 F HN 0.190 nan 8.300 nan 0.000 0.552 535 D N 6.701 126.790 120.400 -0.520 0.000 2.414 535 D HA 0.133 4.772 4.640 -0.002 0.000 0.232 535 D C 0.543 176.481 176.300 -0.604 0.000 1.070 535 D CA -0.359 53.398 54.000 -0.405 0.000 0.839 535 D CB 1.219 41.961 40.800 -0.097 0.000 1.079 535 D HN 0.665 nan 8.370 nan 0.000 0.521 536 K N 0.848 120.889 120.400 -0.598 0.000 2.442 536 K HA -0.086 4.233 4.320 -0.002 0.000 0.198 536 K C 1.619 178.219 176.600 0.001 0.000 1.044 536 K CA 0.732 56.868 56.287 -0.251 0.000 0.948 536 K CB 0.188 32.698 32.500 0.016 0.000 0.762 536 K HN 0.314 nan 8.250 nan 0.000 0.472 537 S N 0.107 115.775 115.700 -0.053 0.000 2.593 537 S HA 0.074 4.543 4.470 -0.002 0.000 0.217 537 S C 0.404 174.988 174.600 -0.026 0.000 0.966 537 S CA -0.168 58.021 58.200 -0.018 0.000 0.914 537 S CB 0.166 63.346 63.200 -0.034 0.000 0.776 537 S HN 0.066 nan 8.310 nan 0.000 0.523 538 K N 0.908 121.288 120.400 -0.032 0.000 2.168 538 K HA 0.483 4.802 4.320 -0.002 0.000 0.239 538 K C -0.687 175.895 176.600 -0.030 0.000 0.999 538 K CA -0.932 55.288 56.287 -0.112 0.000 0.900 538 K CB 0.694 33.012 32.500 -0.304 0.000 1.111 538 K HN -0.067 nan 8.250 nan 0.000 0.452 539 K N 2.171 122.480 120.400 -0.152 0.000 2.367 539 K HA 0.292 4.611 4.320 -0.002 0.000 0.263 539 K C -1.114 175.400 176.600 -0.142 0.000 1.000 539 K CA -0.427 55.841 56.287 -0.032 0.000 0.891 539 K CB 0.752 33.220 32.500 -0.053 0.000 1.117 539 K HN 0.444 nan 8.250 nan 0.000 0.443 540 Y N 2.809 123.135 120.300 0.044 0.000 2.420 540 Y HA 0.327 4.876 4.550 -0.002 0.000 0.334 540 Y C -1.810 174.028 175.900 -0.104 0.000 1.094 540 Y CA -2.505 55.587 58.100 -0.013 0.000 1.126 540 Y CB 0.897 39.393 38.460 0.060 0.000 1.217 540 Y HN 0.426 nan 8.280 nan 0.000 0.462 541 P HA 0.208 nan 4.420 nan 0.000 0.274 541 P C -1.107 176.041 177.300 -0.253 0.000 1.231 541 P CA -0.226 62.586 63.100 -0.480 0.000 0.790 541 P CB 1.732 32.751 31.700 -1.135 0.000 0.951 542 L N 2.850 123.982 121.223 -0.152 0.000 2.386 542 L HA 0.536 4.875 4.340 -0.002 0.000 0.271 542 L C -1.250 175.805 176.870 0.308 0.000 0.993 542 L CA -1.241 53.652 54.840 0.088 0.000 0.819 542 L CB 1.876 44.002 42.059 0.111 0.000 1.294 542 L HN 0.174 nan 8.230 nan 0.000 0.414 543 L N 5.267 126.678 121.223 0.312 0.000 2.305 543 L HA 0.491 4.830 4.340 -0.002 0.000 0.284 543 L C -1.258 175.834 176.870 0.370 0.000 1.013 543 L CA -0.343 54.734 54.840 0.394 0.000 0.819 543 L CB 1.597 43.837 42.059 0.303 0.000 1.227 543 L HN 0.613 nan 8.230 nan 0.000 0.417 544 L N 5.235 126.725 121.223 0.444 0.000 2.268 544 L HA 0.384 4.723 4.340 -0.002 0.000 0.289 544 L C -0.439 176.658 176.870 0.380 0.000 1.064 544 L CA 0.196 55.282 54.840 0.411 0.000 0.824 544 L CB 0.338 42.679 42.059 0.470 0.000 1.202 544 L HN 0.617 nan 8.230 nan 0.000 0.433 545 D N 4.340 124.948 120.400 0.348 0.000 2.352 545 D HA 0.173 4.812 4.640 -0.002 0.000 0.245 545 D C -0.870 175.519 176.300 0.149 0.000 1.224 545 D CA 0.195 54.341 54.000 0.242 0.000 0.879 545 D CB 1.108 42.105 40.800 0.327 0.000 1.057 545 D HN 0.336 nan 8.370 nan 0.000 0.491 546 V N 5.319 125.253 119.914 0.032 0.000 2.864 546 V HA 0.462 4.581 4.120 -0.002 0.000 0.314 546 V C -0.939 175.232 176.094 0.129 0.000 1.073 546 V CA -0.399 61.970 62.300 0.114 0.000 0.956 546 V CB 1.954 33.844 31.823 0.112 0.000 1.023 546 V HN 0.653 nan 8.190 nan 0.000 0.435 547 Y N 4.705 125.068 120.300 0.105 0.000 3.208 547 Y HA 0.537 5.086 4.550 -0.002 0.000 0.205 547 Y C 1.526 177.540 175.900 0.189 0.000 0.923 547 Y CA 1.090 59.273 58.100 0.138 0.000 1.596 547 Y CB 0.205 38.727 38.460 0.103 0.000 1.478 547 Y HN 1.092 nan 8.280 nan 0.000 0.409 548 A N 1.222 124.112 122.820 0.117 0.000 2.816 548 A HA -0.171 4.148 4.320 -0.002 0.000 0.270 548 A C 0.860 178.242 177.584 -0.337 0.000 1.413 548 A CA 0.993 53.040 52.037 0.017 0.000 0.866 548 A CB -2.421 16.651 19.000 0.121 0.000 1.032 548 A HN 0.944 nan 8.150 nan 0.000 0.642 549 G N -1.068 107.305 108.800 -0.712 0.000 2.651 549 G HA2 0.492 4.450 3.960 -0.002 0.000 0.260 549 G HA3 0.492 4.450 3.960 -0.002 0.000 0.260 549 G C -2.328 172.291 174.900 -0.468 0.000 1.216 549 G CA -0.925 43.432 45.100 -1.238 0.000 0.913 549 G HN 0.304 nan 8.290 nan 0.000 0.535 550 P HA 0.111 nan 4.420 nan 0.000 0.263 550 P C 0.539 177.732 177.300 -0.179 0.000 1.195 550 P CA 0.071 62.930 63.100 -0.400 0.000 0.762 550 P CB 0.786 31.838 31.700 -1.080 0.000 0.799 551 C N 2.564 121.810 119.300 -0.090 0.000 4.358 551 C HA -0.157 4.302 4.460 -0.002 0.000 0.287 551 C C 0.992 175.988 174.990 0.010 0.000 1.414 551 C CA 1.158 60.075 59.018 -0.167 0.000 1.949 551 C CB -2.738 24.740 27.740 -0.437 0.000 1.274 551 C HN 0.794 nan 8.230 nan 0.000 0.793 552 S N -0.020 115.764 115.700 0.140 0.000 2.632 552 S HA 0.567 5.036 4.470 -0.002 0.000 0.267 552 S C -0.583 174.178 174.600 0.268 0.000 1.276 552 S CA 0.216 58.588 58.200 0.287 0.000 0.998 552 S CB 1.607 65.050 63.200 0.405 0.000 0.953 552 S HN 0.861 nan 8.310 nan 0.000 0.547 553 Q N 0.006 119.990 119.800 0.307 0.000 2.374 553 Q HA 0.337 4.676 4.340 -0.002 0.000 0.250 553 Q C -0.822 175.307 176.000 0.215 0.000 0.918 553 Q CA -0.572 55.404 55.803 0.288 0.000 0.778 553 Q CB 0.955 29.930 28.738 0.394 0.000 1.328 553 Q HN 0.692 nan 8.270 nan 0.000 0.445 554 K N 1.123 121.647 120.400 0.205 0.000 2.358 554 K HA 0.339 4.658 4.320 -0.002 0.000 0.200 554 K C -0.451 176.254 176.600 0.176 0.000 1.030 554 K CA 0.252 56.648 56.287 0.183 0.000 1.097 554 K CB 1.547 34.180 32.500 0.221 0.000 0.862 554 K HN 0.485 nan 8.250 nan 0.000 0.534 555 A N 2.617 125.549 122.820 0.187 0.000 2.328 555 A HA 0.435 4.754 4.320 -0.002 0.000 0.318 555 A C -0.811 176.849 177.584 0.127 0.000 1.347 555 A CA -0.571 51.579 52.037 0.189 0.000 0.842 555 A CB 0.169 19.340 19.000 0.285 0.000 1.148 555 A HN 0.233 nan 8.150 nan 0.000 0.499 556 D N -0.130 120.320 120.400 0.084 0.000 2.812 556 D HA 0.455 5.094 4.640 -0.002 0.000 0.318 556 D C 0.444 176.767 176.300 0.039 0.000 1.234 556 D CA 0.296 54.336 54.000 0.067 0.000 0.989 556 D CB 0.360 41.210 40.800 0.083 0.000 1.442 556 D HN 0.160 nan 8.370 nan 0.000 0.537 557 T N -2.265 112.331 114.554 0.070 0.000 3.186 557 T HA 0.340 4.689 4.350 -0.002 0.000 0.257 557 T C 0.261 174.935 174.700 -0.043 0.000 1.029 557 T CA -0.394 61.738 62.100 0.052 0.000 0.916 557 T CB -0.712 68.233 68.868 0.128 0.000 1.041 557 T HN 0.252 nan 8.240 nan 0.000 0.562 558 V N 2.458 122.248 119.914 -0.206 0.000 2.583 558 V HA 0.400 4.519 4.120 -0.002 0.000 0.287 558 V C -0.059 175.978 176.094 -0.096 0.000 1.051 558 V CA -1.035 61.098 62.300 -0.277 0.000 1.010 558 V CB 0.470 32.006 31.823 -0.479 0.000 0.988 558 V HN 0.578 nan 8.190 nan 0.000 0.478 559 F N 6.156 126.006 119.950 -0.168 0.000 2.411 559 F HA 0.629 5.155 4.527 -0.002 0.000 0.350 559 F C 0.385 176.121 175.800 -0.106 0.000 1.114 559 F CA -0.290 57.636 58.000 -0.123 0.000 1.135 559 F CB 0.419 39.354 39.000 -0.109 0.000 1.120 559 F HN 0.426 nan 8.300 nan 0.000 0.495 560 R N 6.353 126.375 120.500 -0.797 0.000 2.744 560 R HA 0.569 4.907 4.340 -0.002 0.000 0.279 560 R C -1.621 174.251 176.300 -0.713 0.000 0.977 560 R CA -1.094 54.684 56.100 -0.536 0.000 0.906 560 R CB 2.192 32.330 30.300 -0.270 0.000 1.197 560 R HN 0.671 nan 8.270 nan 0.000 0.463 561 L N 3.928 124.940 121.223 -0.352 0.000 2.337 561 L HA 0.389 4.727 4.340 -0.002 0.000 0.269 561 L C -0.732 176.077 176.870 -0.102 0.000 1.018 561 L CA -0.665 54.010 54.840 -0.275 0.000 0.876 561 L CB 0.415 42.476 42.059 0.004 0.000 1.236 561 L HN 0.757 nan 8.230 nan 0.000 0.436 562 N N -0.020 118.519 118.700 -0.268 0.000 3.343 562 N HA 0.182 4.920 4.740 -0.002 0.000 0.330 562 N C 0.253 175.363 175.510 -0.667 0.000 1.560 562 N CA -0.892 51.882 53.050 -0.459 0.000 0.752 562 N CB 0.190 38.577 38.487 -0.166 0.000 1.863 562 N HN 0.252 nan 8.380 nan 0.000 0.636 563 W N 0.628 121.336 121.300 -0.987 0.000 2.338 563 W HA 0.086 4.745 4.660 -0.002 0.000 0.304 563 W C 2.064 178.525 176.519 -0.097 0.000 1.212 563 W CA 2.885 59.913 57.345 -0.528 0.000 1.264 563 W CB -1.038 28.266 29.460 -0.260 0.000 1.142 563 W HN 0.703 nan 8.180 nan 0.000 0.512 564 A N -0.554 122.246 122.820 -0.033 0.000 1.940 564 A HA -0.214 4.105 4.320 -0.002 0.000 0.219 564 A C 1.956 179.423 177.584 -0.195 0.000 1.176 564 A CA 2.511 54.464 52.037 -0.140 0.000 0.631 564 A CB -1.289 17.700 19.000 -0.018 0.000 0.814 564 A HN 0.303 nan 8.150 nan 0.000 0.446 565 T N -1.133 113.300 114.554 -0.201 0.000 2.652 565 T HA -0.242 4.107 4.350 -0.002 0.000 0.267 565 T C 1.801 176.454 174.700 -0.078 0.000 1.039 565 T CA 1.836 63.777 62.100 -0.265 0.000 1.153 565 T CB -0.572 67.962 68.868 -0.557 0.000 0.863 565 T HN 0.715 nan 8.240 nan 0.000 0.428 566 Y N 1.965 122.281 120.300 0.028 0.000 2.181 566 Y HA -0.086 4.462 4.550 -0.002 0.000 0.288 566 Y C 2.032 177.902 175.900 -0.050 0.000 1.146 566 Y CA 1.097 59.279 58.100 0.136 0.000 1.164 566 Y CB -0.637 37.932 38.460 0.181 0.000 0.982 566 Y HN 0.110 nan 8.280 nan 0.000 0.515 567 L N 0.392 121.196 121.223 -0.698 0.000 2.042 567 L HA -0.242 4.097 4.340 -0.002 0.000 0.210 567 L C 2.882 179.492 176.870 -0.433 0.000 1.076 567 L CA 1.345 55.717 54.840 -0.780 0.000 0.749 567 L CB -1.024 40.636 42.059 -0.665 0.000 0.893 567 L HN 0.456 nan 8.230 nan 0.000 0.432 568 A N -1.100 121.542 122.820 -0.297 0.000 1.854 568 A HA -0.185 4.134 4.320 -0.002 0.000 0.214 568 A C 2.517 180.007 177.584 -0.157 0.000 1.192 568 A CA 1.770 53.685 52.037 -0.204 0.000 0.611 568 A CB -0.710 18.168 19.000 -0.204 0.000 0.832 568 A HN 0.334 nan 8.150 nan 0.000 0.442 569 S N -1.011 114.607 115.700 -0.136 0.000 2.344 569 S HA -0.148 4.321 4.470 -0.002 0.000 0.217 569 S C 2.083 176.662 174.600 -0.035 0.000 1.033 569 S CA 2.404 60.571 58.200 -0.056 0.000 1.017 569 S CB -0.583 62.636 63.200 0.032 0.000 0.941 569 S HN 0.582 nan 8.310 nan 0.000 0.430 570 T N 1.462 115.973 114.554 -0.073 0.000 2.894 570 T HA 0.124 4.473 4.350 -0.002 0.000 0.258 570 T C 1.391 176.027 174.700 -0.106 0.000 1.043 570 T CA 0.820 62.892 62.100 -0.047 0.000 1.141 570 T CB -0.157 68.748 68.868 0.062 0.000 0.873 570 T HN 0.346 nan 8.240 nan 0.000 0.449 571 E N 1.108 121.153 120.200 -0.257 0.000 2.474 571 E HA 0.154 4.503 4.350 -0.002 0.000 0.195 571 E C -0.031 176.529 176.600 -0.066 0.000 1.039 571 E CA -0.095 56.209 56.400 -0.160 0.000 0.881 571 E CB -0.278 29.273 29.700 -0.248 0.000 0.970 571 E HN 0.491 nan 8.360 nan 0.000 0.486 572 N N 0.655 119.326 118.700 -0.048 0.000 2.727 572 N HA -0.201 4.538 4.740 -0.002 0.000 0.249 572 N C -0.736 174.826 175.510 0.087 0.000 1.048 572 N CA 0.440 53.526 53.050 0.060 0.000 0.714 572 N CB -1.351 37.222 38.487 0.143 0.000 0.959 572 N HN 0.254 nan 8.380 nan 0.000 0.544 573 I N 0.634 121.187 120.570 -0.029 0.000 2.437 573 I HA 0.333 4.502 4.170 -0.002 0.000 0.298 573 I C 0.598 176.673 176.117 -0.071 0.000 0.984 573 I CA -0.829 60.462 61.300 -0.016 0.000 1.214 573 I CB 1.226 39.223 38.000 -0.005 0.000 1.365 573 I HN 0.030 nan 8.210 nan 0.000 0.469 574 I N 6.403 126.940 120.570 -0.055 0.000 2.325 574 I HA 0.181 4.350 4.170 -0.002 0.000 0.291 574 I C -0.446 175.635 176.117 -0.060 0.000 1.019 574 I CA -0.501 60.720 61.300 -0.133 0.000 1.302 574 I CB 1.138 39.045 38.000 -0.155 0.000 1.401 574 I HN 0.181 nan 8.210 nan 0.000 0.485 575 V N 6.901 126.767 119.914 -0.079 0.000 2.311 575 V HA 0.547 4.665 4.120 -0.002 0.000 0.275 575 V C 0.473 176.575 176.094 0.013 0.000 1.022 575 V CA -0.372 61.935 62.300 0.011 0.000 0.830 575 V CB 1.027 32.853 31.823 0.005 0.000 1.012 575 V HN 0.837 nan 8.190 nan 0.000 0.452 576 A N 4.200 127.054 122.820 0.058 0.000 2.330 576 A HA 0.947 5.266 4.320 -0.002 0.000 0.329 576 A C -0.103 177.615 177.584 0.223 0.000 1.135 576 A CA -0.494 51.570 52.037 0.045 0.000 0.817 576 A CB 1.625 20.491 19.000 -0.224 0.000 1.269 576 A HN 0.671 nan 8.150 nan 0.000 0.469 577 S N -0.419 115.462 115.700 0.302 0.000 2.546 577 S HA 0.738 5.207 4.470 -0.002 0.000 0.274 577 S C -1.539 173.406 174.600 0.575 0.000 1.121 577 S CA -0.295 58.135 58.200 0.384 0.000 0.887 577 S CB 1.332 64.701 63.200 0.282 0.000 1.094 577 S HN 0.760 nan 8.310 nan 0.000 0.474 578 F N 1.775 121.951 119.950 0.378 0.000 2.569 578 F HA 0.469 4.995 4.527 -0.002 0.000 0.312 578 F C -1.548 174.444 175.800 0.320 0.000 1.109 578 F CA -0.735 57.513 58.000 0.413 0.000 0.919 578 F CB 1.536 40.761 39.000 0.375 0.000 1.211 578 F HN 0.405 nan 8.300 nan 0.000 0.446 579 D N 4.550 124.725 120.400 -0.376 0.000 2.443 579 D HA 0.362 5.001 4.640 -0.002 0.000 0.221 579 D C 0.339 176.348 176.300 -0.485 0.000 1.097 579 D CA 0.109 53.982 54.000 -0.211 0.000 0.865 579 D CB 1.498 42.330 40.800 0.052 0.000 1.034 579 D HN 0.762 nan 8.370 nan 0.000 0.511 580 G N 1.325 109.946 108.800 -0.299 0.000 2.695 580 G HA2 0.287 4.246 3.960 -0.002 0.000 0.213 580 G HA3 0.287 4.246 3.960 -0.002 0.000 0.213 580 G C 0.179 175.028 174.900 -0.085 0.000 1.406 580 G CA -0.702 44.198 45.100 -0.333 0.000 1.049 580 G HN 0.286 nan 8.290 nan 0.000 0.573 581 R N -0.726 119.711 120.500 -0.105 0.000 2.640 581 R HA 0.361 4.700 4.340 -0.002 0.000 0.270 581 R C 1.259 177.636 176.300 0.128 0.000 1.024 581 R CA 1.520 57.678 56.100 0.096 0.000 1.085 581 R CB 0.437 30.783 30.300 0.077 0.000 0.963 581 R HN 1.051 nan 8.270 nan 0.000 0.426 582 G N 1.040 109.923 108.800 0.138 0.000 2.254 582 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.225 582 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.225 582 G C 0.106 175.043 174.900 0.063 0.000 1.003 582 G CA 0.121 45.288 45.100 0.111 0.000 0.622 582 G HN 0.731 nan 8.290 nan 0.000 0.507 583 S N 0.579 116.324 115.700 0.074 0.000 2.585 583 S HA 0.639 5.108 4.470 -0.002 0.000 0.273 583 S C 0.882 175.480 174.600 -0.003 0.000 1.339 583 S CA 0.560 58.798 58.200 0.063 0.000 1.028 583 S CB 1.796 65.062 63.200 0.111 0.000 0.906 583 S HN 1.660 nan 8.310 nan 0.000 0.528 584 G N -0.303 108.439 108.800 -0.097 0.000 2.613 584 G HA2 0.494 4.453 3.960 -0.002 0.000 0.303 584 G HA3 0.494 4.453 3.960 -0.002 0.000 0.303 584 G C -0.872 173.875 174.900 -0.256 0.000 1.312 584 G CA -1.008 43.882 45.100 -0.351 0.000 1.036 584 G HN 0.948 nan 8.290 nan 0.000 0.513 585 Y N -2.402 117.911 120.300 0.021 0.000 4.798 585 Y HA -0.216 4.333 4.550 -0.002 0.000 0.237 585 Y C 1.470 177.390 175.900 0.033 0.000 1.017 585 Y CA 1.090 59.207 58.100 0.028 0.000 2.010 585 Y CB -2.133 36.356 38.460 0.048 0.000 1.582 585 Y HN 0.537 nan 8.280 nan 0.000 0.621 586 Q N -0.028 119.810 119.800 0.063 0.000 2.112 586 Q HA 0.511 4.849 4.340 -0.002 0.000 0.222 586 Q C 0.941 176.869 176.000 -0.119 0.000 0.798 586 Q CA 0.233 56.084 55.803 0.079 0.000 1.060 586 Q CB 1.676 30.458 28.738 0.073 0.000 1.184 586 Q HN 0.566 nan 8.270 nan 0.000 0.475 587 G N 0.822 109.420 108.800 -0.336 0.000 2.663 587 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G C -0.533 174.017 174.900 -0.583 0.000 1.246 587 G CA -0.630 43.989 45.100 -0.802 0.000 0.795 587 G HN 0.093 nan 8.290 nan 0.000 0.627 588 D N -0.056 119.948 120.400 -0.660 0.000 2.264 588 D HA -0.058 4.581 4.640 -0.002 0.000 0.208 588 D C 2.193 178.200 176.300 -0.489 0.000 0.966 588 D CA 1.279 54.834 54.000 -0.741 0.000 0.864 588 D CB 0.073 40.367 40.800 -0.844 0.000 0.933 588 D HN 0.597 nan 8.370 nan 0.000 0.499 589 K N 0.471 120.651 120.400 -0.366 0.000 2.057 589 K HA -0.103 4.216 4.320 -0.002 0.000 0.207 589 K C 2.014 178.547 176.600 -0.112 0.000 1.049 589 K CA 0.869 57.036 56.287 -0.200 0.000 0.931 589 K CB -0.008 32.390 32.500 -0.171 0.000 0.714 589 K HN 0.114 nan 8.250 nan 0.000 0.440 590 I N 0.346 120.844 120.570 -0.120 0.000 2.277 590 I HA -0.209 3.959 4.170 -0.002 0.000 0.243 590 I C 2.643 178.771 176.117 0.018 0.000 1.094 590 I CA 0.754 62.060 61.300 0.010 0.000 1.393 590 I CB -0.125 37.906 38.000 0.052 0.000 1.078 590 I HN 0.282 nan 8.210 nan 0.000 0.417 591 M N 0.264 119.811 119.600 -0.088 0.000 2.086 591 M HA -0.241 4.238 4.480 -0.002 0.000 0.261 591 M C 1.937 178.309 176.300 0.121 0.000 1.067 591 M CA 2.020 57.302 55.300 -0.030 0.000 1.116 591 M CB -0.332 32.163 32.600 -0.175 0.000 1.348 591 M HN 0.264 nan 8.290 nan 0.000 0.407 592 H N -0.686 118.284 119.070 -0.167 0.000 2.547 592 H HA 0.159 4.714 4.556 -0.002 0.000 0.266 592 H C 1.832 177.175 175.328 0.026 0.000 0.988 592 H CA 0.070 56.017 56.048 -0.168 0.000 1.147 592 H CB 0.126 29.689 29.762 -0.332 0.000 1.365 592 H HN 0.534 nan 8.280 nan 0.000 0.589 593 A N 1.601 124.532 122.820 0.185 0.000 2.024 593 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 593 A C 2.040 179.830 177.584 0.344 0.000 1.164 593 A CA 1.102 53.278 52.037 0.231 0.000 0.643 593 A CB -0.626 18.486 19.000 0.187 0.000 0.806 593 A HN 0.575 nan 8.150 nan 0.000 0.451 594 I N -2.959 117.778 120.570 0.278 0.000 3.891 594 I HA 0.213 4.382 4.170 -0.002 0.000 0.331 594 I C 0.207 176.398 176.117 0.123 0.000 1.406 594 I CA -0.620 60.787 61.300 0.178 0.000 1.139 594 I CB -0.805 37.278 38.000 0.139 0.000 1.056 594 I HN 0.090 nan 8.210 nan 0.000 0.399 595 N N 2.682 121.499 118.700 0.195 0.000 2.412 595 N HA -0.038 4.701 4.740 -0.002 0.000 0.258 595 N C 0.626 176.157 175.510 0.035 0.000 1.236 595 N CA 0.514 53.681 53.050 0.196 0.000 0.882 595 N CB 0.220 38.782 38.487 0.125 0.000 1.066 595 N HN 0.333 nan 8.380 nan 0.000 0.465 596 R N 0.417 120.921 120.500 0.006 0.000 4.000 596 R HA -0.208 4.131 4.340 -0.002 0.000 0.348 596 R C -0.444 175.739 176.300 -0.196 0.000 1.204 596 R CA 0.875 56.932 56.100 -0.072 0.000 0.987 596 R CB -0.904 29.368 30.300 -0.046 0.000 1.446 596 R HN 0.577 nan 8.270 nan 0.000 0.555 597 R N 0.491 120.856 120.500 -0.224 0.000 2.647 597 R HA 0.259 4.598 4.340 -0.002 0.000 0.295 597 R C -0.316 175.934 176.300 -0.084 0.000 1.267 597 R CA -0.262 55.554 56.100 -0.473 0.000 1.386 597 R CB 0.394 30.358 30.300 -0.560 0.000 1.309 597 R HN 0.093 nan 8.270 nan 0.000 0.692 598 L N -0.252 121.012 121.223 0.068 0.000 2.467 598 L HA 0.220 4.559 4.340 -0.002 0.000 0.270 598 L C 1.382 178.495 176.870 0.405 0.000 1.205 598 L CA 0.806 55.719 54.840 0.122 0.000 0.828 598 L CB 0.454 42.355 42.059 -0.264 0.000 1.101 598 L HN 0.684 nan 8.230 nan 0.000 0.479 599 G N 0.655 109.726 108.800 0.451 0.000 2.136 599 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.242 599 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.242 599 G C 0.364 175.363 174.900 0.165 0.000 0.989 599 G CA 0.499 45.812 45.100 0.356 0.000 0.682 599 G HN 0.865 nan 8.290 nan 0.000 0.522 600 T N -3.782 110.830 114.554 0.097 0.000 2.964 600 T HA 0.439 4.788 4.350 -0.002 0.000 0.161 600 T C 1.688 176.424 174.700 0.061 0.000 0.859 600 T CA 0.660 62.739 62.100 -0.036 0.000 1.015 600 T CB -0.060 68.601 68.868 -0.345 0.000 2.138 600 T HN 0.129 nan 8.240 nan 0.000 0.367 601 F N 3.195 123.181 119.950 0.060 0.000 2.115 601 F HA -0.133 4.393 4.527 -0.002 0.000 0.300 601 F C 3.002 178.830 175.800 0.046 0.000 1.092 601 F CA 1.409 59.433 58.000 0.041 0.000 1.245 601 F CB -0.228 38.794 39.000 0.036 0.000 0.995 601 F HN 0.512 nan 8.300 nan 0.000 0.481 602 E N 0.834 121.190 120.200 0.259 0.000 2.204 602 E HA -0.125 4.223 4.350 -0.002 0.000 0.194 602 E C 2.064 178.763 176.600 0.165 0.000 0.989 602 E CA 1.326 57.842 56.400 0.194 0.000 0.824 602 E CB -0.831 28.985 29.700 0.192 0.000 0.756 602 E HN 0.326 nan 8.360 nan 0.000 0.477 603 V N 1.839 121.835 119.914 0.137 0.000 2.302 603 V HA -0.192 3.927 4.120 -0.002 0.000 0.243 603 V C 2.333 178.469 176.094 0.070 0.000 1.036 603 V CA 1.995 64.334 62.300 0.065 0.000 1.020 603 V CB -0.542 31.280 31.823 -0.002 0.000 0.657 603 V HN 0.214 nan 8.190 nan 0.000 0.453 604 E N 0.347 120.606 120.200 0.099 0.000 2.058 604 E HA -0.265 4.084 4.350 -0.002 0.000 0.194 604 E C 1.902 178.536 176.600 0.057 0.000 0.997 604 E CA 1.634 58.088 56.400 0.089 0.000 0.801 604 E CB -0.276 29.511 29.700 0.144 0.000 0.746 604 E HN 0.568 nan 8.360 nan 0.000 0.450 605 D N 0.546 120.988 120.400 0.071 0.000 2.178 605 D HA -0.142 4.497 4.640 -0.002 0.000 0.201 605 D C 2.026 178.330 176.300 0.007 0.000 0.980 605 D CA 0.809 54.824 54.000 0.024 0.000 0.842 605 D CB -0.168 40.668 40.800 0.060 0.000 0.948 605 D HN 0.104 nan 8.370 nan 0.000 0.472 606 Q N 0.095 119.956 119.800 0.101 0.000 2.124 606 Q HA -0.048 4.291 4.340 -0.002 0.000 0.202 606 Q C 2.549 178.600 176.000 0.085 0.000 0.977 606 Q CA 0.554 56.430 55.803 0.122 0.000 0.850 606 Q CB -0.127 28.698 28.738 0.147 0.000 0.901 606 Q HN 0.440 nan 8.270 nan 0.000 0.429 607 I N 0.591 121.221 120.570 0.100 0.000 2.202 607 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 607 I C 2.404 178.496 176.117 -0.041 0.000 1.091 607 I CA 1.194 62.592 61.300 0.163 0.000 1.368 607 I CB -0.246 37.837 38.000 0.138 0.000 1.058 607 I HN 0.153 nan 8.210 nan 0.000 0.410 608 E N 1.713 121.838 120.200 -0.125 0.000 2.118 608 E HA -0.215 4.134 4.350 -0.002 0.000 0.195 608 E C 2.079 178.411 176.600 -0.446 0.000 0.992 608 E CA 1.738 57.999 56.400 -0.231 0.000 0.804 608 E CB -0.186 29.393 29.700 -0.202 0.000 0.741 608 E HN 0.412 nan 8.360 nan 0.000 0.458 609 A N 0.674 123.107 122.820 -0.646 0.000 1.933 609 A HA -0.047 4.272 4.320 -0.002 0.000 0.218 609 A C 2.430 179.366 177.584 -1.080 0.000 1.175 609 A CA 2.035 53.363 52.037 -1.181 0.000 0.628 609 A CB -0.950 17.215 19.000 -1.393 0.000 0.814 609 A HN 0.403 nan 8.150 nan 0.000 0.444 610 A N -0.115 122.444 122.820 -0.435 0.000 1.898 610 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 610 A C 2.250 179.662 177.584 -0.287 0.000 1.181 610 A CA 1.381 53.293 52.037 -0.208 0.000 0.620 610 A CB -0.440 18.461 19.000 -0.165 0.000 0.819 610 A HN 0.554 nan 8.150 nan 0.000 0.442 611 R N -0.726 119.588 120.500 -0.311 0.000 2.073 611 R HA -0.127 4.212 4.340 -0.002 0.000 0.234 611 R C 2.394 178.528 176.300 -0.277 0.000 1.134 611 R CA 1.377 57.326 56.100 -0.252 0.000 0.952 611 R CB -0.389 29.786 30.300 -0.208 0.000 0.850 611 R HN 0.541 nan 8.270 nan 0.000 0.433 612 Q N 0.199 119.750 119.800 -0.414 0.000 2.061 612 Q HA -0.157 4.182 4.340 -0.002 0.000 0.204 612 Q C 2.075 177.887 176.000 -0.314 0.000 0.984 612 Q CA 1.569 57.126 55.803 -0.411 0.000 0.846 612 Q CB -0.349 28.034 28.738 -0.592 0.000 0.902 612 Q HN 0.297 nan 8.270 nan 0.000 0.421 613 F N 1.057 120.850 119.950 -0.262 0.000 2.269 613 F HA -0.111 4.415 4.527 -0.002 0.000 0.301 613 F C 2.548 178.187 175.800 -0.269 0.000 1.082 613 F CA 0.732 58.577 58.000 -0.258 0.000 1.360 613 F CB -0.899 37.997 39.000 -0.173 0.000 1.041 613 F HN -0.048 nan 8.300 nan 0.000 0.512 614 S N 0.120 115.779 115.700 -0.067 0.000 2.348 614 S HA -0.181 4.288 4.470 -0.002 0.000 0.221 614 S C 1.916 176.420 174.600 -0.160 0.000 1.033 614 S CA 1.125 59.258 58.200 -0.111 0.000 1.010 614 S CB -0.321 62.808 63.200 -0.118 0.000 0.891 614 S HN 0.361 nan 8.310 nan 0.000 0.442 615 K N 1.082 121.387 120.400 -0.158 0.000 2.218 615 K HA -0.036 4.282 4.320 -0.002 0.000 0.205 615 K C 1.917 178.405 176.600 -0.187 0.000 1.046 615 K CA 1.139 57.337 56.287 -0.147 0.000 0.933 615 K CB -0.348 32.076 32.500 -0.128 0.000 0.728 615 K HN 0.413 nan 8.250 nan 0.000 0.454 616 M N -0.695 118.736 119.600 -0.281 0.000 2.446 616 M HA -0.077 4.402 4.480 -0.002 0.000 0.263 616 M C 1.571 177.554 176.300 -0.528 0.000 1.066 616 M CA 1.466 56.497 55.300 -0.449 0.000 1.087 616 M CB -0.235 31.916 32.600 -0.749 0.000 1.406 616 M HN 0.543 nan 8.290 nan 0.000 0.459 617 G N 0.885 109.448 108.800 -0.395 0.000 2.284 617 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.247 617 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.247 617 G C 0.424 175.260 174.900 -0.108 0.000 1.012 617 G CA 0.369 45.340 45.100 -0.215 0.000 0.618 617 G HN 0.591 nan 8.290 nan 0.000 0.521 618 F N 0.710 120.720 119.950 0.101 0.000 2.730 618 F HA 0.779 5.305 4.527 -0.002 0.000 0.295 618 F C 0.025 175.945 175.800 0.200 0.000 1.143 618 F CA -1.873 56.220 58.000 0.156 0.000 1.367 618 F CB -0.089 39.049 39.000 0.230 0.000 0.970 618 F HN 0.089 nan 8.300 nan 0.000 0.514 619 V N 1.083 121.118 119.914 0.201 0.000 2.531 619 V HA 0.214 4.333 4.120 -0.002 0.000 0.301 619 V C -0.758 175.367 176.094 0.051 0.000 1.034 619 V CA -0.845 61.561 62.300 0.176 0.000 0.865 619 V CB 1.824 33.712 31.823 0.109 0.000 0.995 619 V HN 0.100 nan 8.190 nan 0.000 0.424 620 D N 3.482 123.895 120.400 0.022 0.000 2.383 620 D HA 0.036 4.675 4.640 -0.002 0.000 0.245 620 D C 1.442 177.710 176.300 -0.054 0.000 1.263 620 D CA 0.104 54.080 54.000 -0.041 0.000 0.936 620 D CB 0.240 40.986 40.800 -0.091 0.000 1.053 620 D HN 0.753 nan 8.370 nan 0.000 0.507 621 N N 2.672 121.343 118.700 -0.049 0.000 2.417 621 N HA -0.217 4.522 4.740 -0.002 0.000 0.187 621 N C 0.888 176.367 175.510 -0.052 0.000 1.027 621 N CA 0.592 53.606 53.050 -0.061 0.000 0.891 621 N CB 0.067 38.514 38.487 -0.067 0.000 0.956 621 N HN 0.273 nan 8.380 nan 0.000 0.442 622 K N 0.027 120.404 120.400 -0.040 0.000 2.418 622 K HA 0.120 4.439 4.320 -0.002 0.000 0.195 622 K C 0.323 176.934 176.600 0.018 0.000 1.035 622 K CA 0.320 56.599 56.287 -0.014 0.000 1.003 622 K CB 0.338 32.830 32.500 -0.014 0.000 0.793 622 K HN 0.205 nan 8.250 nan 0.000 0.494 623 R N 1.300 121.785 120.500 -0.024 0.000 2.748 623 R HA 0.346 4.685 4.340 -0.002 0.000 0.283 623 R C -0.952 175.355 176.300 0.012 0.000 1.507 623 R CA -0.126 55.966 56.100 -0.014 0.000 1.666 623 R CB 0.567 30.667 30.300 -0.332 0.000 1.237 623 R HN -0.002 nan 8.270 nan 0.000 0.633 624 I N 1.199 121.889 120.570 0.201 0.000 2.389 624 I HA 0.514 4.683 4.170 -0.002 0.000 0.288 624 I C 0.073 176.484 176.117 0.491 0.000 0.999 624 I CA -0.718 60.734 61.300 0.253 0.000 1.129 624 I CB 1.844 39.837 38.000 -0.011 0.000 1.288 624 I HN 0.300 nan 8.210 nan 0.000 0.444 625 A N 7.215 130.419 122.820 0.639 0.000 2.344 625 A HA 0.928 5.247 4.320 -0.002 0.000 0.307 625 A C -0.990 176.934 177.584 0.567 0.000 1.151 625 A CA -0.670 51.695 52.037 0.545 0.000 0.842 625 A CB 2.047 21.216 19.000 0.282 0.000 1.350 625 A HN 0.736 nan 8.150 nan 0.000 0.459 626 I N 0.222 121.036 120.570 0.406 0.000 2.752 626 I HA 0.674 4.843 4.170 -0.002 0.000 0.295 626 I C -2.014 174.344 176.117 0.402 0.000 1.219 626 I CA -0.574 60.900 61.300 0.290 0.000 1.030 626 I CB 1.714 39.601 38.000 -0.188 0.000 1.259 626 I HN 0.946 nan 8.210 nan 0.000 0.423 627 W N 7.063 128.480 121.300 0.197 0.000 3.137 627 W HA 0.831 5.490 4.660 -0.002 0.000 0.324 627 W C -1.559 175.106 176.519 0.244 0.000 1.253 627 W CA -0.927 56.553 57.345 0.224 0.000 1.183 627 W CB 1.078 30.730 29.460 0.319 0.000 1.424 627 W HN 0.835 nan 8.180 nan 0.000 0.566 628 G N 0.948 109.637 108.800 -0.184 0.000 2.601 628 G HA2 0.453 4.412 3.960 -0.002 0.000 0.291 628 G HA3 0.453 4.412 3.960 -0.002 0.000 0.291 628 G C -2.803 172.015 174.900 -0.137 0.000 1.456 628 G CA -0.751 44.096 45.100 -0.423 0.000 0.804 628 G HN 0.586 nan 8.290 nan 0.000 0.499 629 W N 1.238 122.401 121.300 -0.229 0.000 2.587 629 W HA 0.588 5.247 4.660 -0.002 0.000 0.324 629 W C 0.823 177.383 176.519 0.070 0.000 1.040 629 W CA 0.379 57.688 57.345 -0.059 0.000 1.222 629 W CB 1.738 31.162 29.460 -0.059 0.000 1.381 629 W HN 1.160 nan 8.180 nan 0.000 0.483 630 S N 3.058 119.002 115.700 0.406 0.000 4.151 630 S HA -0.429 4.040 4.470 -0.002 0.000 0.603 630 S C 1.166 175.879 174.600 0.189 0.000 1.878 630 S CA 1.884 60.321 58.200 0.395 0.000 4.246 630 S CB -1.830 61.760 63.200 0.649 0.000 0.211 630 S HN 0.708 nan 8.310 nan 0.000 0.469 631 Y N 2.643 122.978 120.300 0.058 0.000 2.274 631 Y HA 0.076 4.625 4.550 -0.002 0.000 0.290 631 Y C 2.372 178.208 175.900 -0.105 0.000 1.145 631 Y CA 2.452 60.484 58.100 -0.114 0.000 1.203 631 Y CB -1.027 37.167 38.460 -0.443 0.000 0.984 631 Y HN 0.500 nan 8.280 nan 0.000 0.533 632 G N -1.047 107.809 108.800 0.094 0.000 2.432 632 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.219 632 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.219 632 G C 1.904 176.843 174.900 0.064 0.000 1.135 632 G CA 0.718 45.873 45.100 0.091 0.000 0.767 632 G HN 0.564 nan 8.290 nan 0.000 0.550 633 G N -0.357 108.491 108.800 0.080 0.000 2.421 633 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.217 633 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.217 633 G C 1.565 176.499 174.900 0.058 0.000 1.143 633 G CA 0.997 46.130 45.100 0.054 0.000 0.784 633 G HN 0.420 nan 8.290 nan 0.000 0.541 634 Y N 1.442 121.661 120.300 -0.135 0.000 2.133 634 Y HA -0.088 4.461 4.550 -0.002 0.000 0.287 634 Y C 2.711 178.531 175.900 -0.133 0.000 1.134 634 Y CA 1.503 59.469 58.100 -0.222 0.000 1.133 634 Y CB -0.461 37.711 38.460 -0.480 0.000 0.987 634 Y HN 0.017 nan 8.280 nan 0.000 0.502 635 V N -0.211 119.589 119.914 -0.189 0.000 2.343 635 V HA -0.316 3.803 4.120 -0.002 0.000 0.247 635 V C 2.322 178.307 176.094 -0.182 0.000 1.051 635 V CA 2.396 64.568 62.300 -0.213 0.000 1.036 635 V CB -1.230 30.615 31.823 0.036 0.000 0.654 635 V HN 0.486 nan 8.190 nan 0.000 0.451 636 T N 0.008 114.507 114.554 -0.090 0.000 2.684 636 T HA -0.195 4.154 4.350 -0.002 0.000 0.267 636 T C 2.138 176.780 174.700 -0.096 0.000 1.036 636 T CA 2.049 64.104 62.100 -0.074 0.000 1.148 636 T CB -0.267 68.632 68.868 0.051 0.000 0.863 636 T HN 0.542 nan 8.240 nan 0.000 0.436 637 S N 1.058 116.738 115.700 -0.033 0.000 2.368 637 S HA -0.003 4.466 4.470 -0.002 0.000 0.224 637 S C 2.131 176.656 174.600 -0.125 0.000 1.029 637 S CA 0.868 59.076 58.200 0.013 0.000 0.988 637 S CB -0.267 63.005 63.200 0.120 0.000 0.838 637 S HN 0.306 nan 8.310 nan 0.000 0.462 638 M N 1.005 120.447 119.600 -0.263 0.000 2.159 638 M HA -0.027 4.452 4.480 -0.002 0.000 0.263 638 M C 2.205 178.361 176.300 -0.240 0.000 1.063 638 M CA 1.092 56.220 55.300 -0.287 0.000 1.110 638 M CB -1.404 30.918 32.600 -0.465 0.000 1.374 638 M HN 0.179 nan 8.290 nan 0.000 0.411 639 V N 0.492 120.252 119.914 -0.256 0.000 2.307 639 V HA -0.224 3.895 4.120 -0.002 0.000 0.245 639 V C 2.488 178.403 176.094 -0.298 0.000 1.045 639 V CA 1.295 63.446 62.300 -0.250 0.000 1.024 639 V CB -0.597 31.013 31.823 -0.355 0.000 0.651 639 V HN 0.401 nan 8.190 nan 0.000 0.449 640 L N 0.397 121.370 121.223 -0.415 0.000 2.265 640 L HA -0.056 4.283 4.340 -0.002 0.000 0.215 640 L C 2.120 178.477 176.870 -0.855 0.000 1.117 640 L CA 1.430 55.926 54.840 -0.574 0.000 0.782 640 L CB -0.629 41.022 42.059 -0.681 0.000 0.914 640 L HN 0.491 nan 8.230 nan 0.000 0.441 641 G N -1.566 106.780 108.800 -0.757 0.000 3.337 641 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.246 641 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.246 641 G C 1.438 176.210 174.900 -0.213 0.000 1.131 641 G CA 0.538 45.311 45.100 -0.545 0.000 0.773 641 G HN 0.402 nan 8.290 nan 0.000 0.544 642 S N -0.602 114.988 115.700 -0.183 0.000 2.446 642 S HA 0.293 4.762 4.470 -0.002 0.000 0.225 642 S C 1.940 176.507 174.600 -0.055 0.000 1.016 642 S CA 1.079 59.228 58.200 -0.086 0.000 0.943 642 S CB -0.116 63.050 63.200 -0.056 0.000 0.786 642 S HN 1.380 nan 8.310 nan 0.000 0.508 643 G N 1.287 110.045 108.800 -0.070 0.000 2.137 643 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.237 643 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.237 643 G C 0.934 175.828 174.900 -0.010 0.000 1.002 643 G CA 0.912 45.989 45.100 -0.037 0.000 0.702 643 G HN 1.251 nan 8.290 nan 0.000 0.515 644 S N -0.641 115.065 115.700 0.009 0.000 2.423 644 S HA 0.290 4.759 4.470 -0.002 0.000 0.231 644 S C 2.587 177.193 174.600 0.010 0.000 1.014 644 S CA 1.732 59.946 58.200 0.023 0.000 0.965 644 S CB -0.262 62.980 63.200 0.070 0.000 0.785 644 S HN 2.424 nan 8.310 nan 0.000 0.495 645 G N -0.000 108.813 108.800 0.022 0.000 2.184 645 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.264 645 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.264 645 G C 0.771 175.655 174.900 -0.026 0.000 0.975 645 G CA 0.430 45.533 45.100 0.006 0.000 0.642 645 G HN 0.716 nan 8.290 nan 0.000 0.536 646 V N -0.487 119.389 119.914 -0.064 0.000 2.488 646 V HA 0.246 4.365 4.120 -0.002 0.000 0.246 646 V C 1.300 177.143 176.094 -0.418 0.000 1.046 646 V CA 1.486 63.611 62.300 -0.291 0.000 1.053 646 V CB -0.388 31.135 31.823 -0.500 0.000 0.679 646 V HN 0.311 nan 8.190 nan 0.000 0.458 647 F N -0.091 119.876 119.950 0.029 0.000 2.422 647 F HA 0.396 4.922 4.527 -0.002 0.000 0.333 647 F C 1.143 176.986 175.800 0.072 0.000 1.095 647 F CA -0.451 57.591 58.000 0.070 0.000 1.038 647 F CB 1.393 40.434 39.000 0.068 0.000 1.156 647 F HN -0.259 nan 8.300 nan 0.000 0.483 648 K N 1.367 121.929 120.400 0.270 0.000 2.128 648 K HA 0.122 4.441 4.320 -0.002 0.000 0.202 648 K C -0.119 176.602 176.600 0.202 0.000 1.050 648 K CA 0.861 57.266 56.287 0.198 0.000 0.966 648 K CB 0.277 32.896 32.500 0.198 0.000 0.759 648 K HN 0.797 nan 8.250 nan 0.000 0.454 649 c N -2.318 116.433 118.600 0.251 0.000 3.291 649 c HA 0.914 5.483 4.570 -0.002 0.000 0.316 649 c C -0.161 174.144 174.090 0.358 0.000 1.391 649 c CA -0.692 55.807 56.329 0.283 0.000 1.394 649 c CB 1.095 43.690 42.510 0.142 0.000 1.744 649 c HN 0.366 nan 8.230 nan 0.000 0.461 650 G N -0.030 109.055 108.800 0.475 0.000 2.673 650 G HA2 0.717 4.676 3.960 -0.002 0.000 0.292 650 G HA3 0.717 4.676 3.960 -0.002 0.000 0.292 650 G C -1.957 173.184 174.900 0.401 0.000 1.450 650 G CA -0.675 44.675 45.100 0.417 0.000 0.837 650 G HN 0.968 nan 8.290 nan 0.000 0.505 651 I N 0.905 121.676 120.570 0.336 0.000 2.447 651 I HA 0.591 4.760 4.170 -0.002 0.000 0.287 651 I C 0.133 176.373 176.117 0.206 0.000 1.023 651 I CA -0.940 60.445 61.300 0.141 0.000 1.083 651 I CB 2.189 40.273 38.000 0.141 0.000 1.245 651 I HN 0.637 nan 8.210 nan 0.000 0.434 652 A N 6.642 129.474 122.820 0.020 0.000 2.287 652 A HA 0.762 5.081 4.320 -0.002 0.000 0.317 652 A C -0.697 176.799 177.584 -0.146 0.000 1.220 652 A CA -0.500 51.554 52.037 0.028 0.000 0.835 652 A CB 1.083 20.163 19.000 0.135 0.000 1.180 652 A HN 0.443 nan 8.150 nan 0.000 0.500 653 V N 2.281 122.057 119.914 -0.230 0.000 2.370 653 V HA 0.547 4.666 4.120 -0.002 0.000 0.283 653 V C 0.982 176.690 176.094 -0.643 0.000 1.023 653 V CA 0.354 62.303 62.300 -0.586 0.000 0.857 653 V CB 0.721 31.866 31.823 -1.129 0.000 0.985 653 V HN 2.052 nan 8.190 nan 0.000 0.443 654 A N 5.753 128.186 122.820 -0.645 0.000 2.511 654 A HA -0.108 4.210 4.320 -0.002 0.000 0.297 654 A C -1.613 175.814 177.584 -0.261 0.000 1.476 654 A CA 0.478 52.021 52.037 -0.824 0.000 0.757 654 A CB -1.567 17.127 19.000 -0.511 0.000 1.072 654 A HN 0.632 nan 8.150 nan 0.000 0.413 655 P HA 0.418 nan 4.420 nan 0.000 0.276 655 P C 0.168 177.435 177.300 -0.055 0.000 1.244 655 P CA -0.191 62.887 63.100 -0.037 0.000 0.801 655 P CB 1.283 32.985 31.700 0.003 0.000 1.006 656 V N 1.959 121.755 119.914 -0.197 0.000 2.732 656 V HA 0.145 4.264 4.120 -0.002 0.000 0.297 656 V C 1.602 177.493 176.094 -0.338 0.000 1.060 656 V CA 0.837 62.875 62.300 -0.437 0.000 1.038 656 V CB 0.941 32.133 31.823 -1.052 0.000 1.003 656 V HN 0.859 nan 8.190 nan 0.000 0.481 657 S N 3.339 118.861 115.700 -0.297 0.000 2.628 657 S HA 0.313 4.782 4.470 -0.002 0.000 0.246 657 S C 0.453 174.872 174.600 -0.301 0.000 1.062 657 S CA -0.397 57.705 58.200 -0.163 0.000 1.028 657 S CB 0.335 63.511 63.200 -0.040 0.000 0.985 657 S HN 0.678 nan 8.310 nan 0.000 0.551 658 R N -0.555 119.645 120.500 -0.501 0.000 2.518 658 R HA 0.346 4.685 4.340 -0.002 0.000 0.287 658 R C -0.973 175.000 176.300 -0.545 0.000 1.135 658 R CA -0.633 55.107 56.100 -0.600 0.000 0.967 658 R CB 0.415 30.166 30.300 -0.917 0.000 1.212 658 R HN 0.261 nan 8.270 nan 0.000 0.422 659 W N 2.116 123.329 121.300 -0.146 0.000 2.364 659 W HA -0.114 4.545 4.660 -0.002 0.000 0.281 659 W C 1.192 177.846 176.519 0.223 0.000 1.219 659 W CA 0.794 58.159 57.345 0.034 0.000 1.220 659 W CB 0.323 29.758 29.460 -0.042 0.000 1.127 659 W HN 0.662 nan 8.180 nan 0.000 0.556 660 E N -1.017 119.341 120.200 0.263 0.000 2.478 660 E HA -0.172 4.177 4.350 -0.002 0.000 0.198 660 E C 1.212 177.945 176.600 0.222 0.000 1.046 660 E CA 0.611 57.104 56.400 0.154 0.000 0.870 660 E CB -0.186 29.495 29.700 -0.032 0.000 0.818 660 E HN 0.380 nan 8.360 nan 0.000 0.527 661 Y N -1.404 118.978 120.300 0.135 0.000 2.510 661 Y HA 0.074 4.623 4.550 -0.002 0.000 0.273 661 Y C 0.774 176.756 175.900 0.136 0.000 1.119 661 Y CA -0.396 57.753 58.100 0.080 0.000 1.286 661 Y CB -0.449 38.007 38.460 -0.007 0.000 1.061 661 Y HN 0.025 nan 8.280 nan 0.000 0.542 662 Y N 1.651 122.098 120.300 0.245 0.000 2.340 662 Y HA 0.243 4.792 4.550 -0.002 0.000 0.327 662 Y C 0.495 176.610 175.900 0.359 0.000 1.321 662 Y CA -1.502 56.752 58.100 0.256 0.000 1.433 662 Y CB 0.552 39.205 38.460 0.321 0.000 1.373 662 Y HN 0.157 nan 8.280 nan 0.000 0.538 663 D N -0.325 119.819 120.400 -0.426 0.000 2.357 663 D HA 0.052 4.690 4.640 -0.002 0.000 0.242 663 D C 0.908 177.229 176.300 0.035 0.000 1.153 663 D CA 0.263 54.116 54.000 -0.246 0.000 0.918 663 D CB 1.201 41.618 40.800 -0.638 0.000 1.181 663 D HN 0.518 nan 8.370 nan 0.000 0.435 664 S N 1.093 116.809 115.700 0.027 0.000 2.353 664 S HA -0.236 4.233 4.470 -0.002 0.000 0.222 664 S C 1.945 176.587 174.600 0.071 0.000 1.035 664 S CA 1.257 59.514 58.200 0.095 0.000 1.025 664 S CB -1.085 62.174 63.200 0.100 0.000 0.902 664 S HN 0.436 nan 8.310 nan 0.000 0.440 665 V N 1.037 120.928 119.914 -0.037 0.000 2.252 665 V HA -0.207 3.911 4.120 -0.002 0.000 0.249 665 V C 2.319 178.349 176.094 -0.107 0.000 1.056 665 V CA 2.376 64.560 62.300 -0.193 0.000 1.022 665 V CB -1.148 30.410 31.823 -0.442 0.000 0.641 665 V HN 0.613 nan 8.190 nan 0.000 0.445 666 Y N 1.271 121.540 120.300 -0.052 0.000 2.109 666 Y HA -0.234 4.315 4.550 -0.002 0.000 0.285 666 Y C 2.759 178.699 175.900 0.067 0.000 1.131 666 Y CA 2.385 60.534 58.100 0.082 0.000 1.121 666 Y CB -0.639 38.064 38.460 0.405 0.000 0.987 666 Y HN 0.225 nan 8.280 nan 0.000 0.495 667 T N 0.451 115.240 114.554 0.392 0.000 2.652 667 T HA -0.227 4.122 4.350 -0.002 0.000 0.267 667 T C 1.554 176.239 174.700 -0.026 0.000 1.039 667 T CA 2.019 64.263 62.100 0.240 0.000 1.153 667 T CB -0.378 68.784 68.868 0.489 0.000 0.863 667 T HN 0.450 nan 8.240 nan 0.000 0.428 668 E N 0.470 120.688 120.200 0.030 0.000 2.204 668 E HA -0.092 4.257 4.350 -0.002 0.000 0.195 668 E C 2.360 178.856 176.600 -0.175 0.000 0.990 668 E CA 0.402 56.807 56.400 0.008 0.000 0.821 668 E CB -0.116 29.634 29.700 0.082 0.000 0.750 668 E HN 0.338 nan 8.360 nan 0.000 0.477 669 R N 0.198 120.444 120.500 -0.424 0.000 2.091 669 R HA -0.181 4.158 4.340 -0.002 0.000 0.238 669 R C 1.264 177.065 176.300 -0.832 0.000 1.136 669 R CA 1.588 57.260 56.100 -0.713 0.000 0.959 669 R CB -0.001 29.566 30.300 -1.220 0.000 0.856 669 R HN 0.293 nan 8.270 nan 0.000 0.437 670 Y N -2.151 117.835 120.300 -0.524 0.000 2.507 670 Y HA 0.200 4.749 4.550 -0.002 0.000 0.263 670 Y C 1.830 177.543 175.900 -0.312 0.000 1.093 670 Y CA -0.185 57.610 58.100 -0.507 0.000 1.285 670 Y CB 0.456 38.470 38.460 -0.744 0.000 1.115 670 Y HN -0.062 nan 8.280 nan 0.000 0.533 671 M N -0.186 119.296 119.600 -0.197 0.000 2.337 671 M HA 0.350 4.829 4.480 -0.002 0.000 0.256 671 M C 1.119 177.410 176.300 -0.014 0.000 1.075 671 M CA 0.767 55.941 55.300 -0.209 0.000 1.024 671 M CB -0.204 32.065 32.600 -0.552 0.000 1.429 671 M HN 0.374 nan 8.290 nan 0.000 0.497 672 G N 1.994 110.812 108.800 0.030 0.000 2.601 672 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 672 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 672 G C -0.451 174.582 174.900 0.222 0.000 1.294 672 G CA -0.667 44.493 45.100 0.101 0.000 0.912 672 G HN 0.363 nan 8.290 nan 0.000 0.574 673 L N 1.962 123.296 121.223 0.186 0.000 2.325 673 L HA 0.443 4.782 4.340 -0.002 0.000 0.279 673 L C -1.516 175.417 176.870 0.105 0.000 1.054 673 L CA -1.823 53.098 54.840 0.135 0.000 0.804 673 L CB 2.035 44.127 42.059 0.055 0.000 1.200 673 L HN 0.447 nan 8.230 nan 0.000 0.436 674 P HA 0.056 nan 4.420 nan 0.000 0.225 674 P C -0.460 176.730 177.300 -0.183 0.000 1.768 674 P CA -0.050 62.736 63.100 -0.522 0.000 0.943 674 P CB -0.409 30.582 31.700 -1.181 0.000 1.936 675 T N -3.142 111.387 114.554 -0.042 0.000 2.916 675 T HA 0.476 4.825 4.350 -0.002 0.000 0.292 675 T C -2.309 172.403 174.700 0.019 0.000 1.055 675 T CA -2.488 59.603 62.100 -0.016 0.000 1.009 675 T CB 1.950 70.814 68.868 -0.007 0.000 1.118 675 T HN -0.308 nan 8.240 nan 0.000 0.497 676 P HA -0.165 nan 4.420 nan 0.000 0.216 676 P C 1.558 178.876 177.300 0.030 0.000 1.153 676 P CA 1.152 64.267 63.100 0.025 0.000 0.858 676 P CB 0.092 31.801 31.700 0.016 0.000 0.789 677 E N -1.171 119.043 120.200 0.023 0.000 2.418 677 E HA -0.128 4.221 4.350 -0.002 0.000 0.197 677 E C 1.013 177.631 176.600 0.031 0.000 1.026 677 E CA 1.038 57.451 56.400 0.022 0.000 0.862 677 E CB -0.432 29.276 29.700 0.014 0.000 0.799 677 E HN 0.257 nan 8.360 nan 0.000 0.518 678 D N 0.992 121.418 120.400 0.045 0.000 2.970 678 D HA 0.015 4.654 4.640 -0.002 0.000 0.236 678 D C 0.298 176.653 176.300 0.090 0.000 1.415 678 D CA 0.061 54.098 54.000 0.061 0.000 1.279 678 D CB -0.068 40.773 40.800 0.068 0.000 0.932 678 D HN 0.069 nan 8.370 nan 0.000 0.216 679 N N 0.018 118.805 118.700 0.146 0.000 2.377 679 N HA 0.091 4.830 4.740 -0.002 0.000 0.259 679 N C 0.930 176.626 175.510 0.311 0.000 1.332 679 N CA -0.084 53.088 53.050 0.203 0.000 0.877 679 N CB 0.144 38.753 38.487 0.202 0.000 1.299 679 N HN 0.093 nan 8.380 nan 0.000 0.501 680 L N 0.403 121.750 121.223 0.208 0.000 2.043 680 L HA -0.111 4.227 4.340 -0.002 0.000 0.212 680 L C 1.256 178.240 176.870 0.191 0.000 1.075 680 L CA 1.977 56.922 54.840 0.174 0.000 0.752 680 L CB -0.412 41.681 42.059 0.056 0.000 0.891 680 L HN 0.176 nan 8.230 nan 0.000 0.432 681 D N -1.353 119.136 120.400 0.149 0.000 2.116 681 D HA -0.270 4.369 4.640 -0.002 0.000 0.193 681 D C 2.061 178.453 176.300 0.154 0.000 0.998 681 D CA 1.850 55.925 54.000 0.126 0.000 0.836 681 D CB -0.228 40.633 40.800 0.102 0.000 0.951 681 D HN 0.579 nan 8.370 nan 0.000 0.449 682 H N -0.853 118.271 119.070 0.090 0.000 2.462 682 H HA -0.071 4.484 4.556 -0.002 0.000 0.292 682 H C 1.714 177.095 175.328 0.089 0.000 1.049 682 H CA 1.108 57.186 56.048 0.051 0.000 1.334 682 H CB -0.263 29.489 29.762 -0.017 0.000 1.404 682 H HN 0.133 nan 8.280 nan 0.000 0.544 683 Y N 0.390 120.676 120.300 -0.024 0.000 2.145 683 Y HA -0.144 4.405 4.550 -0.002 0.000 0.286 683 Y C 2.290 178.154 175.900 -0.059 0.000 1.145 683 Y CA 1.515 59.603 58.100 -0.021 0.000 1.148 683 Y CB 0.139 38.621 38.460 0.037 0.000 0.981 683 Y HN 0.117 nan 8.280 nan 0.000 0.507 684 R N -0.383 120.197 120.500 0.132 0.000 2.236 684 R HA -0.062 4.277 4.340 -0.002 0.000 0.208 684 R C 1.233 177.534 176.300 0.001 0.000 1.036 684 R CA 0.870 56.998 56.100 0.047 0.000 1.001 684 R CB -0.655 29.672 30.300 0.045 0.000 0.896 684 R HN 0.339 nan 8.270 nan 0.000 0.464 685 N N 0.191 118.873 118.700 -0.030 0.000 2.299 685 N HA -0.054 4.685 4.740 -0.002 0.000 0.187 685 N C 0.252 175.716 175.510 -0.077 0.000 1.099 685 N CA 0.239 53.270 53.050 -0.032 0.000 0.867 685 N CB 0.425 38.929 38.487 0.027 0.000 0.974 685 N HN 0.029 nan 8.380 nan 0.000 0.477 686 S N -1.153 114.451 115.700 -0.160 0.000 2.561 686 S HA 0.142 4.610 4.470 -0.002 0.000 0.245 686 S C 0.358 174.996 174.600 0.063 0.000 1.001 686 S CA -0.624 57.535 58.200 -0.068 0.000 1.002 686 S CB -0.769 62.318 63.200 -0.188 0.000 0.805 686 S HN 0.220 nan 8.310 nan 0.000 0.458 687 T N -1.675 112.876 114.554 -0.005 0.000 2.918 687 T HA 0.520 4.869 4.350 -0.002 0.000 0.283 687 T C 1.284 175.976 174.700 -0.013 0.000 1.001 687 T CA -0.644 61.437 62.100 -0.031 0.000 1.041 687 T CB 1.361 70.177 68.868 -0.086 0.000 1.028 687 T HN -0.040 nan 8.240 nan 0.000 0.511 688 V N 1.695 121.598 119.914 -0.019 0.000 2.453 688 V HA -0.107 4.011 4.120 -0.002 0.000 0.247 688 V C 2.632 178.693 176.094 -0.056 0.000 1.048 688 V CA 1.518 63.800 62.300 -0.030 0.000 1.049 688 V CB -0.938 30.864 31.823 -0.035 0.000 0.672 688 V HN 0.817 nan 8.190 nan 0.000 0.457 689 M N 1.252 120.803 119.600 -0.081 0.000 2.144 689 M HA -0.186 4.293 4.480 -0.002 0.000 0.260 689 M C 2.338 178.604 176.300 -0.058 0.000 1.067 689 M CA 2.263 57.508 55.300 -0.093 0.000 1.095 689 M CB -1.030 31.528 32.600 -0.069 0.000 1.365 689 M HN 0.536 nan 8.290 nan 0.000 0.406 690 S N -0.334 115.347 115.700 -0.032 0.000 2.507 690 S HA -0.076 4.393 4.470 -0.002 0.000 0.235 690 S C 1.695 176.300 174.600 0.009 0.000 0.988 690 S CA 0.673 58.866 58.200 -0.012 0.000 0.944 690 S CB -0.465 62.730 63.200 -0.008 0.000 0.762 690 S HN 0.555 nan 8.310 nan 0.000 0.526 691 R N 0.424 120.942 120.500 0.029 0.000 2.427 691 R HA 0.452 4.790 4.340 -0.002 0.000 0.262 691 R C 2.136 178.541 176.300 0.175 0.000 0.943 691 R CA 0.415 56.565 56.100 0.083 0.000 1.081 691 R CB -0.220 30.134 30.300 0.089 0.000 1.166 691 R HN 0.465 nan 8.270 nan 0.000 0.534 692 A N 1.762 124.619 122.820 0.062 0.000 1.927 692 A HA -0.300 4.019 4.320 -0.002 0.000 0.220 692 A C 2.063 179.719 177.584 0.120 0.000 1.185 692 A CA 2.005 54.038 52.037 -0.007 0.000 0.639 692 A CB -0.292 18.643 19.000 -0.109 0.000 0.820 692 A HN 0.263 nan 8.150 nan 0.000 0.451 693 E N 0.648 120.900 120.200 0.086 0.000 2.118 693 E HA -0.179 4.169 4.350 -0.002 0.000 0.195 693 E C 1.616 178.279 176.600 0.105 0.000 0.992 693 E CA 1.644 58.093 56.400 0.082 0.000 0.804 693 E CB -0.303 29.427 29.700 0.050 0.000 0.741 693 E HN 0.612 nan 8.360 nan 0.000 0.458 694 N N -0.484 118.282 118.700 0.109 0.000 2.459 694 N HA -0.099 4.639 4.740 -0.002 0.000 0.181 694 N C 0.802 176.314 175.510 0.004 0.000 1.046 694 N CA 0.476 53.546 53.050 0.034 0.000 0.904 694 N CB -0.213 38.251 38.487 -0.039 0.000 0.964 694 N HN 0.222 nan 8.380 nan 0.000 0.444 695 F N 1.489 121.396 119.950 -0.071 0.000 2.641 695 F HA 0.038 4.564 4.527 -0.002 0.000 0.298 695 F C 1.939 177.743 175.800 0.007 0.000 1.146 695 F CA 0.591 58.543 58.000 -0.080 0.000 1.464 695 F CB 0.005 38.907 39.000 -0.163 0.000 1.101 695 F HN -0.060 nan 8.300 nan 0.000 0.585 696 K N -0.067 120.430 120.400 0.163 0.000 2.362 696 K HA -0.136 4.182 4.320 -0.002 0.000 0.200 696 K C 1.494 178.151 176.600 0.096 0.000 1.046 696 K CA 0.885 57.250 56.287 0.131 0.000 0.952 696 K CB -0.149 32.410 32.500 0.098 0.000 0.753 696 K HN 0.431 nan 8.250 nan 0.000 0.466 697 Q N 0.380 120.215 119.800 0.058 0.000 2.403 697 Q HA 0.032 4.371 4.340 -0.002 0.000 0.203 697 Q C 0.472 176.504 176.000 0.053 0.000 0.932 697 Q CA 0.123 55.951 55.803 0.042 0.000 0.945 697 Q CB 0.514 29.259 28.738 0.012 0.000 1.045 697 Q HN 0.120 nan 8.270 nan 0.000 0.511 698 V N -3.131 116.825 119.914 0.070 0.000 3.160 698 V HA 0.484 4.603 4.120 -0.002 0.000 0.310 698 V C -1.345 174.876 176.094 0.212 0.000 1.181 698 V CA -1.323 61.043 62.300 0.110 0.000 1.047 698 V CB 2.376 34.223 31.823 0.040 0.000 1.068 698 V HN -0.039 nan 8.190 nan 0.000 0.441 699 E N 1.342 121.701 120.200 0.265 0.000 2.174 699 E HA 0.502 4.851 4.350 -0.002 0.000 0.282 699 E C -1.864 175.098 176.600 0.603 0.000 0.992 699 E CA -0.341 56.292 56.400 0.388 0.000 0.803 699 E CB 1.774 31.635 29.700 0.268 0.000 1.090 699 E HN 0.685 nan 8.360 nan 0.000 0.396 700 Y N 3.251 123.813 120.300 0.436 0.000 2.425 700 Y HA 0.484 5.033 4.550 -0.002 0.000 0.344 700 Y C -1.778 174.200 175.900 0.130 0.000 0.969 700 Y CA -1.458 56.836 58.100 0.323 0.000 1.052 700 Y CB 1.163 39.853 38.460 0.385 0.000 1.215 700 Y HN 0.427 nan 8.280 nan 0.000 0.451 701 L N 7.483 128.414 121.223 -0.487 0.000 2.343 701 L HA 0.616 4.955 4.340 -0.002 0.000 0.278 701 L C -2.242 174.191 176.870 -0.729 0.000 0.996 701 L CA -0.782 53.653 54.840 -0.675 0.000 0.831 701 L CB 1.363 42.740 42.059 -1.136 0.000 1.232 701 L HN 0.652 nan 8.230 nan 0.000 0.413 702 L N 6.549 127.444 121.223 -0.548 0.000 2.313 702 L HA 0.698 5.037 4.340 -0.002 0.000 0.283 702 L C -1.081 175.673 176.870 -0.193 0.000 1.013 702 L CA -0.001 54.565 54.840 -0.456 0.000 0.816 702 L CB 1.159 42.984 42.059 -0.389 0.000 1.236 702 L HN 0.594 nan 8.230 nan 0.000 0.419 703 I N 4.386 124.851 120.570 -0.176 0.000 2.608 703 I HA 0.494 4.662 4.170 -0.002 0.000 0.295 703 I C -1.117 174.994 176.117 -0.011 0.000 1.049 703 I CA -0.765 60.486 61.300 -0.082 0.000 1.063 703 I CB 2.083 39.999 38.000 -0.141 0.000 1.248 703 I HN 0.679 nan 8.210 nan 0.000 0.424 704 H N 1.984 121.108 119.070 0.091 0.000 3.140 704 H HA 0.426 4.980 4.556 -0.002 0.000 0.336 704 H C -0.505 175.064 175.328 0.402 0.000 1.142 704 H CA -0.658 55.501 56.048 0.185 0.000 1.308 704 H CB 1.884 31.690 29.762 0.074 0.000 1.970 704 H HN 0.770 nan 8.280 nan 0.000 0.521 705 G N 1.138 110.341 108.800 0.671 0.000 2.370 705 G HA2 0.213 4.172 3.960 -0.002 0.000 0.272 705 G HA3 0.213 4.172 3.960 -0.002 0.000 0.272 705 G C 1.179 176.360 174.900 0.467 0.000 1.208 705 G CA 0.141 45.560 45.100 0.532 0.000 0.856 705 G HN 0.745 nan 8.290 nan 0.000 0.500 706 T N -0.507 114.173 114.554 0.209 0.000 2.962 706 T HA 0.026 4.375 4.350 -0.002 0.000 0.270 706 T C 1.710 176.362 174.700 -0.081 0.000 1.088 706 T CA 1.341 63.363 62.100 -0.129 0.000 1.127 706 T CB 0.118 68.852 68.868 -0.223 0.000 0.883 706 T HN 0.696 nan 8.240 nan 0.000 0.493 707 A N 1.051 123.908 122.820 0.061 0.000 2.684 707 A HA 0.305 4.624 4.320 -0.002 0.000 0.288 707 A C 0.391 177.926 177.584 -0.080 0.000 1.337 707 A CA -0.516 51.517 52.037 -0.006 0.000 0.946 707 A CB -0.304 18.969 19.000 0.456 0.000 1.093 707 A HN 0.394 nan 8.150 nan 0.000 0.543 708 D N 1.455 121.829 120.400 -0.044 0.000 2.338 708 D HA -0.007 4.632 4.640 -0.002 0.000 0.255 708 D C 0.362 176.643 176.300 -0.031 0.000 1.237 708 D CA 0.149 54.239 54.000 0.150 0.000 0.883 708 D CB 0.704 41.760 40.800 0.427 0.000 1.087 708 D HN 0.588 nan 8.370 nan 0.000 0.485 709 D N 2.182 122.627 120.400 0.075 0.000 2.333 709 D HA -0.106 4.533 4.640 -0.002 0.000 0.208 709 D C 1.037 177.327 176.300 -0.017 0.000 0.984 709 D CA 0.081 54.088 54.000 0.010 0.000 0.873 709 D CB 0.284 41.029 40.800 -0.092 0.000 0.935 709 D HN 0.443 nan 8.370 nan 0.000 0.521 710 N N 0.259 119.028 118.700 0.115 0.000 2.255 710 N HA -0.044 4.695 4.740 -0.002 0.000 0.192 710 N C -0.131 175.283 175.510 -0.160 0.000 1.049 710 N CA 0.272 53.401 53.050 0.132 0.000 0.886 710 N CB 0.667 39.231 38.487 0.127 0.000 1.064 710 N HN -0.168 nan 8.380 nan 0.000 0.457 711 V N 2.464 122.286 119.914 -0.153 0.000 2.288 711 V HA 0.190 4.309 4.120 -0.002 0.000 0.266 711 V C -0.885 175.256 176.094 0.078 0.000 1.048 711 V CA -0.329 61.937 62.300 -0.056 0.000 0.842 711 V CB -0.141 31.685 31.823 0.005 0.000 1.064 711 V HN 0.340 nan 8.190 nan 0.000 0.472 712 H N 3.211 122.257 119.070 -0.039 0.000 2.972 712 H HA -0.052 4.503 4.556 -0.002 0.000 0.343 712 H C 0.845 176.026 175.328 -0.245 0.000 1.054 712 H CA 0.034 55.981 56.048 -0.168 0.000 1.412 712 H CB 0.713 30.297 29.762 -0.297 0.000 1.385 712 H HN 0.628 nan 8.280 nan 0.000 0.600 713 F N 2.161 121.875 119.950 -0.394 0.000 2.236 713 F HA -0.300 4.226 4.527 -0.002 0.000 0.302 713 F C 2.567 178.098 175.800 -0.448 0.000 1.073 713 F CA 1.749 59.299 58.000 -0.749 0.000 1.336 713 F CB -0.184 38.559 39.000 -0.429 0.000 1.040 713 F HN 0.670 nan 8.300 nan 0.000 0.507 714 Q N 0.219 119.892 119.800 -0.212 0.000 2.133 714 Q HA -0.311 4.028 4.340 -0.002 0.000 0.208 714 Q C 2.043 177.821 176.000 -0.369 0.000 0.991 714 Q CA 2.258 57.888 55.803 -0.288 0.000 0.867 714 Q CB -0.384 28.145 28.738 -0.348 0.000 0.911 714 Q HN 0.593 nan 8.270 nan 0.000 0.417 715 Q N -0.259 119.374 119.800 -0.278 0.000 2.096 715 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 715 Q C 2.230 178.156 176.000 -0.123 0.000 0.982 715 Q CA 1.763 57.521 55.803 -0.075 0.000 0.850 715 Q CB -0.078 28.690 28.738 0.050 0.000 0.901 715 Q HN 0.341 nan 8.270 nan 0.000 0.422 716 S N 0.507 116.039 115.700 -0.280 0.000 2.446 716 S HA 0.036 4.505 4.470 -0.002 0.000 0.225 716 S C 2.006 176.374 174.600 -0.387 0.000 1.016 716 S CA 0.615 58.641 58.200 -0.290 0.000 0.943 716 S CB -0.012 63.020 63.200 -0.281 0.000 0.786 716 S HN 0.453 nan 8.310 nan 0.000 0.508 717 A N 1.402 123.901 122.820 -0.535 0.000 1.933 717 A HA -0.126 4.193 4.320 -0.002 0.000 0.218 717 A C 2.120 179.611 177.584 -0.155 0.000 1.175 717 A CA 1.124 52.973 52.037 -0.313 0.000 0.628 717 A CB -0.371 18.509 19.000 -0.200 0.000 0.814 717 A HN 0.344 nan 8.150 nan 0.000 0.444 718 Q N -0.511 119.207 119.800 -0.136 0.000 2.187 718 Q HA 0.022 4.361 4.340 -0.002 0.000 0.199 718 Q C 2.104 178.056 176.000 -0.080 0.000 0.957 718 Q CA 0.917 56.690 55.803 -0.050 0.000 0.857 718 Q CB -0.294 28.489 28.738 0.076 0.000 0.929 718 Q HN 0.777 nan 8.270 nan 0.000 0.453 719 I N 1.114 121.609 120.570 -0.124 0.000 2.142 719 I HA -0.287 3.882 4.170 -0.002 0.000 0.240 719 I C 2.565 178.522 176.117 -0.267 0.000 1.078 719 I CA 1.469 62.648 61.300 -0.200 0.000 1.343 719 I CB -0.421 37.464 38.000 -0.192 0.000 1.046 719 I HN 0.190 nan 8.210 nan 0.000 0.405 720 S N 1.007 116.579 115.700 -0.212 0.000 2.359 720 S HA -0.303 4.165 4.470 -0.002 0.000 0.224 720 S C 2.054 176.637 174.600 -0.029 0.000 1.035 720 S CA 1.646 59.766 58.200 -0.134 0.000 1.018 720 S CB -0.509 62.754 63.200 0.104 0.000 0.876 720 S HN 0.380 nan 8.310 nan 0.000 0.448 721 K N 1.679 122.063 120.400 -0.028 0.000 2.097 721 K HA 0.016 4.335 4.320 -0.002 0.000 0.206 721 K C 2.260 178.844 176.600 -0.026 0.000 1.049 721 K CA 1.158 57.443 56.287 -0.003 0.000 0.933 721 K CB -0.689 31.805 32.500 -0.009 0.000 0.717 721 K HN 0.467 nan 8.250 nan 0.000 0.442 722 A N 1.049 123.822 122.820 -0.078 0.000 1.898 722 A HA -0.095 4.224 4.320 -0.002 0.000 0.216 722 A C 2.080 179.599 177.584 -0.108 0.000 1.181 722 A CA 1.258 53.240 52.037 -0.092 0.000 0.620 722 A CB -0.555 18.367 19.000 -0.129 0.000 0.819 722 A HN 0.319 nan 8.150 nan 0.000 0.442 723 L N -0.617 120.496 121.223 -0.182 0.000 2.093 723 L HA -0.130 4.209 4.340 -0.002 0.000 0.208 723 L C 2.487 179.382 176.870 0.043 0.000 1.085 723 L CA 0.861 55.604 54.840 -0.161 0.000 0.755 723 L CB -0.557 41.243 42.059 -0.432 0.000 0.904 723 L HN 0.233 nan 8.230 nan 0.000 0.435 724 V N -0.181 119.793 119.914 0.101 0.000 2.343 724 V HA -0.273 3.846 4.120 -0.002 0.000 0.247 724 V C 1.984 178.119 176.094 0.068 0.000 1.051 724 V CA 1.820 64.198 62.300 0.130 0.000 1.036 724 V CB -0.498 31.399 31.823 0.123 0.000 0.654 724 V HN 0.421 nan 8.190 nan 0.000 0.451 725 D N 0.314 120.735 120.400 0.035 0.000 2.263 725 D HA -0.099 4.540 4.640 -0.002 0.000 0.208 725 D C 1.772 178.086 176.300 0.025 0.000 0.971 725 D CA 1.594 55.608 54.000 0.023 0.000 0.867 725 D CB -0.065 40.740 40.800 0.009 0.000 0.929 725 D HN 0.562 nan 8.370 nan 0.000 0.492 726 V N -3.686 116.243 119.914 0.026 0.000 3.542 726 V HA 0.491 4.610 4.120 -0.002 0.000 0.296 726 V C 1.188 177.313 176.094 0.051 0.000 1.364 726 V CA 0.238 62.557 62.300 0.032 0.000 1.118 726 V CB -0.144 31.694 31.823 0.025 0.000 0.972 726 V HN 0.128 nan 8.190 nan 0.000 0.430 727 G N 0.551 109.389 108.800 0.064 0.000 2.256 727 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.272 727 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.272 727 G C -0.176 174.787 174.900 0.106 0.000 1.076 727 G CA 0.206 45.353 45.100 0.078 0.000 0.882 727 G HN 0.865 nan 8.290 nan 0.000 0.497 728 V N 0.419 120.419 119.914 0.142 0.000 2.398 728 V HA 0.490 4.609 4.120 -0.002 0.000 0.286 728 V C 0.349 176.633 176.094 0.316 0.000 1.026 728 V CA -0.584 61.834 62.300 0.197 0.000 0.868 728 V CB 1.795 33.721 31.823 0.172 0.000 0.982 728 V HN 0.467 nan 8.190 nan 0.000 0.443 729 D N 3.891 124.450 120.400 0.266 0.000 2.264 729 D HA 0.653 5.291 4.640 -0.002 0.000 0.249 729 D C -0.568 175.972 176.300 0.401 0.000 1.070 729 D CA 0.174 54.313 54.000 0.233 0.000 0.912 729 D CB 0.910 41.783 40.800 0.121 0.000 1.193 729 D HN 0.387 nan 8.370 nan 0.000 0.427 730 F N -0.555 119.477 119.950 0.137 0.000 2.858 730 F HA 0.443 4.969 4.527 -0.002 0.000 0.319 730 F C -1.587 174.275 175.800 0.103 0.000 1.166 730 F CA -1.185 56.920 58.000 0.175 0.000 0.899 730 F CB 0.737 39.880 39.000 0.240 0.000 1.332 730 F HN 0.058 nan 8.300 nan 0.000 0.461 731 Q N 1.441 121.334 119.800 0.155 0.000 2.235 731 Q HA 0.832 5.171 4.340 -0.002 0.000 0.256 731 Q C -0.777 175.235 176.000 0.020 0.000 0.951 731 Q CA -0.724 55.075 55.803 -0.008 0.000 0.890 731 Q CB 1.961 30.720 28.738 0.034 0.000 1.279 731 Q HN 1.038 nan 8.270 nan 0.000 0.444 732 A N 1.566 124.360 122.820 -0.044 0.000 2.556 732 A HA 0.874 5.193 4.320 -0.002 0.000 0.294 732 A C -1.341 176.193 177.584 -0.082 0.000 1.091 732 A CA -0.573 51.473 52.037 0.014 0.000 0.704 732 A CB 1.967 21.036 19.000 0.116 0.000 1.300 732 A HN 0.613 nan 8.150 nan 0.000 0.406 733 M N 1.155 120.694 119.600 -0.102 0.000 2.307 733 M HA 0.563 5.042 4.480 -0.002 0.000 0.279 733 M C -2.178 173.993 176.300 -0.214 0.000 1.080 733 M CA -0.519 54.572 55.300 -0.349 0.000 0.964 733 M CB 1.138 33.426 32.600 -0.520 0.000 1.825 733 M HN 1.009 nan 8.290 nan 0.000 0.489 734 W N 4.410 125.536 121.300 -0.289 0.000 2.570 734 W HA 0.793 5.451 4.660 -0.002 0.000 0.337 734 W C -2.096 174.147 176.519 -0.459 0.000 1.067 734 W CA -0.861 56.399 57.345 -0.141 0.000 1.229 734 W CB 0.511 29.945 29.460 -0.043 0.000 1.355 734 W HN 0.608 nan 8.180 nan 0.000 0.555 735 Y N 2.557 122.986 120.300 0.215 0.000 2.464 735 Y HA 0.307 4.856 4.550 -0.002 0.000 0.326 735 Y C 0.537 176.555 175.900 0.197 0.000 0.969 735 Y CA -1.190 56.955 58.100 0.075 0.000 1.270 735 Y CB 1.243 39.729 38.460 0.044 0.000 1.103 735 Y HN 0.439 nan 8.280 nan 0.000 0.491 736 T N 4.542 119.275 114.554 0.299 0.000 2.866 736 T HA -0.043 4.306 4.350 -0.002 0.000 0.293 736 T C 0.214 175.005 174.700 0.152 0.000 1.005 736 T CA 0.698 62.928 62.100 0.217 0.000 1.162 736 T CB -0.125 68.812 68.868 0.115 0.000 0.968 736 T HN 0.684 nan 8.240 nan 0.000 0.530 737 D N 0.916 121.385 120.400 0.114 0.000 3.059 737 D HA -0.126 4.513 4.640 -0.002 0.000 0.220 737 D C 0.262 176.715 176.300 0.254 0.000 1.169 737 D CA 1.144 55.172 54.000 0.046 0.000 0.902 737 D CB -0.371 40.242 40.800 -0.311 0.000 1.116 737 D HN 0.544 nan 8.370 nan 0.000 0.417 738 E N 0.766 121.128 120.200 0.269 0.000 2.277 738 E HA 0.341 4.690 4.350 -0.002 0.000 0.274 738 E C 0.676 177.472 176.600 0.326 0.000 1.022 738 E CA -0.379 56.195 56.400 0.291 0.000 0.853 738 E CB 1.276 31.142 29.700 0.277 0.000 1.086 738 E HN 0.314 nan 8.360 nan 0.000 0.397 739 D N -0.432 120.169 120.400 0.335 0.000 2.560 739 D HA 0.007 4.645 4.640 -0.002 0.000 0.277 739 D C 1.072 177.622 176.300 0.416 0.000 1.194 739 D CA -0.259 53.962 54.000 0.367 0.000 1.092 739 D CB -0.115 40.917 40.800 0.387 0.000 1.169 739 D HN 0.395 nan 8.370 nan 0.000 0.607 740 H N -1.446 117.819 119.070 0.325 0.000 2.492 740 H HA 0.022 4.577 4.556 -0.002 0.000 0.296 740 H C 1.868 177.448 175.328 0.420 0.000 1.095 740 H CA 2.188 58.452 56.048 0.360 0.000 1.281 740 H CB -0.399 29.551 29.762 0.314 0.000 1.374 740 H HN 0.509 nan 8.280 nan 0.000 0.545 741 G N -0.397 108.579 108.800 0.293 0.000 2.603 741 G HA2 0.010 3.969 3.960 -0.002 0.000 0.214 741 G HA3 0.010 3.969 3.960 -0.002 0.000 0.214 741 G C 0.698 175.763 174.900 0.275 0.000 1.140 741 G CA 0.286 45.466 45.100 0.134 0.000 0.800 741 G HN 0.516 nan 8.290 nan 0.000 0.533 742 I N 0.154 120.923 120.570 0.331 0.000 5.158 742 I HA -0.323 3.845 4.170 -0.002 0.000 0.126 742 I C 1.461 177.709 176.117 0.219 0.000 1.344 742 I CA 0.193 61.647 61.300 0.258 0.000 2.637 742 I CB -1.184 36.971 38.000 0.259 0.000 2.338 742 I HN 0.266 nan 8.210 nan 0.000 0.320 743 A N 1.102 124.020 122.820 0.162 0.000 2.430 743 A HA 0.318 4.637 4.320 -0.002 0.000 0.243 743 A C 1.129 178.757 177.584 0.074 0.000 1.254 743 A CA 0.504 52.602 52.037 0.101 0.000 0.914 743 A CB 0.140 19.159 19.000 0.032 0.000 0.998 743 A HN 0.622 nan 8.150 nan 0.000 0.515 744 S N -0.482 115.277 115.700 0.098 0.000 2.573 744 S HA 0.165 4.633 4.470 -0.002 0.000 0.277 744 S C 1.250 175.899 174.600 0.081 0.000 1.346 744 S CA 0.367 58.617 58.200 0.083 0.000 1.034 744 S CB 1.119 64.376 63.200 0.095 0.000 0.879 744 S HN 0.499 nan 8.310 nan 0.000 0.528 745 S N 2.056 117.791 115.700 0.059 0.000 2.372 745 S HA -0.201 4.267 4.470 -0.002 0.000 0.227 745 S C 2.079 176.734 174.600 0.092 0.000 1.044 745 S CA 2.393 60.630 58.200 0.062 0.000 1.050 745 S CB -1.584 61.637 63.200 0.035 0.000 0.901 745 S HN 1.051 nan 8.310 nan 0.000 0.447 746 T N -0.292 114.306 114.554 0.072 0.000 2.812 746 T HA 0.193 4.542 4.350 -0.002 0.000 0.264 746 T C 1.993 176.738 174.700 0.074 0.000 1.042 746 T CA 1.276 63.419 62.100 0.072 0.000 1.140 746 T CB -0.925 67.978 68.868 0.058 0.000 0.870 746 T HN 0.465 nan 8.240 nan 0.000 0.445 747 A N 1.497 124.341 122.820 0.040 0.000 1.930 747 A HA -0.083 4.236 4.320 -0.002 0.000 0.217 747 A C 2.199 179.716 177.584 -0.112 0.000 1.175 747 A CA 2.003 53.985 52.037 -0.092 0.000 0.627 747 A CB -1.236 17.689 19.000 -0.125 0.000 0.815 747 A HN 0.759 nan 8.150 nan 0.000 0.443 748 H N -0.035 119.005 119.070 -0.050 0.000 2.319 748 H HA -0.153 4.402 4.556 -0.002 0.000 0.299 748 H C 2.100 177.470 175.328 0.071 0.000 1.092 748 H CA 2.391 58.462 56.048 0.038 0.000 1.302 748 H CB -0.240 29.556 29.762 0.056 0.000 1.373 748 H HN 0.580 nan 8.280 nan 0.000 0.497 749 Q N -0.996 118.783 119.800 -0.036 0.000 2.124 749 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 749 Q C 2.228 178.188 176.000 -0.065 0.000 0.977 749 Q CA 1.309 57.051 55.803 -0.102 0.000 0.850 749 Q CB -0.203 28.526 28.738 -0.013 0.000 0.901 749 Q HN 0.642 nan 8.270 nan 0.000 0.429 750 H N 0.790 119.811 119.070 -0.082 0.000 2.357 750 H HA -0.069 4.486 4.556 -0.002 0.000 0.301 750 H C 2.026 177.333 175.328 -0.035 0.000 1.082 750 H CA 1.304 57.340 56.048 -0.020 0.000 1.342 750 H CB 0.009 29.810 29.762 0.064 0.000 1.389 750 H HN 0.279 nan 8.280 nan 0.000 0.511 751 I N 0.051 120.558 120.570 -0.105 0.000 2.202 751 I HA -0.315 3.854 4.170 -0.002 0.000 0.242 751 I C 1.796 177.679 176.117 -0.391 0.000 1.091 751 I CA 1.204 62.371 61.300 -0.222 0.000 1.368 751 I CB -0.276 37.407 38.000 -0.528 0.000 1.058 751 I HN 0.121 nan 8.210 nan 0.000 0.410 752 Y N 1.044 121.115 120.300 -0.381 0.000 2.293 752 Y HA -0.200 4.348 4.550 -0.002 0.000 0.291 752 Y C 2.723 178.396 175.900 -0.378 0.000 1.137 752 Y CA 1.821 59.575 58.100 -0.577 0.000 1.202 752 Y CB -0.897 37.220 38.460 -0.572 0.000 0.990 752 Y HN 0.164 nan 8.280 nan 0.000 0.537 753 T N -1.662 112.801 114.554 -0.151 0.000 2.737 753 T HA -0.230 4.119 4.350 -0.002 0.000 0.265 753 T C 1.582 176.178 174.700 -0.173 0.000 1.038 753 T CA 1.872 63.859 62.100 -0.189 0.000 1.144 753 T CB -0.459 68.296 68.868 -0.188 0.000 0.866 753 T HN 0.402 nan 8.240 nan 0.000 0.434 754 H N 0.885 119.844 119.070 -0.184 0.000 2.353 754 H HA 0.088 4.643 4.556 -0.002 0.000 0.300 754 H C 2.151 177.478 175.328 -0.001 0.000 1.090 754 H CA 1.566 57.585 56.048 -0.048 0.000 1.327 754 H CB -0.241 29.486 29.762 -0.058 0.000 1.383 754 H HN 0.269 nan 8.280 nan 0.000 0.508 755 M N -0.949 118.599 119.600 -0.087 0.000 2.175 755 M HA -0.141 4.338 4.480 -0.002 0.000 0.264 755 M C 2.393 178.828 176.300 0.224 0.000 1.063 755 M CA 1.307 56.565 55.300 -0.071 0.000 1.119 755 M CB 0.016 32.320 32.600 -0.494 0.000 1.377 755 M HN 0.189 nan 8.290 nan 0.000 0.415 756 S N -0.487 115.354 115.700 0.236 0.000 2.356 756 S HA -0.156 4.313 4.470 -0.002 0.000 0.223 756 S C 1.716 176.411 174.600 0.157 0.000 1.032 756 S CA 1.058 59.474 58.200 0.361 0.000 1.005 756 S CB -0.586 62.761 63.200 0.245 0.000 0.867 756 S HN 0.463 nan 8.310 nan 0.000 0.449 757 H N -0.116 119.014 119.070 0.100 0.000 2.352 757 H HA -0.069 4.486 4.556 -0.002 0.000 0.299 757 H C 1.985 177.323 175.328 0.018 0.000 1.097 757 H CA 1.418 57.480 56.048 0.023 0.000 1.311 757 H CB -0.751 28.971 29.762 -0.068 0.000 1.377 757 H HN 0.453 nan 8.280 nan 0.000 0.504 758 F N 1.105 121.054 119.950 -0.002 0.000 2.134 758 F HA -0.170 4.356 4.527 -0.002 0.000 0.299 758 F C 2.259 178.027 175.800 -0.055 0.000 1.097 758 F CA 0.791 58.762 58.000 -0.048 0.000 1.264 758 F CB -0.211 38.742 39.000 -0.079 0.000 1.001 758 F HN -0.038 nan 8.300 nan 0.000 0.479 759 I N 0.674 121.268 120.570 0.040 0.000 2.202 759 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 759 I C 2.216 178.159 176.117 -0.290 0.000 1.091 759 I CA 1.445 62.613 61.300 -0.221 0.000 1.368 759 I CB -1.315 36.636 38.000 -0.081 0.000 1.058 759 I HN 0.182 nan 8.210 nan 0.000 0.410 760 K N 0.208 120.573 120.400 -0.058 0.000 2.097 760 K HA -0.222 4.097 4.320 -0.002 0.000 0.206 760 K C 2.115 178.706 176.600 -0.016 0.000 1.049 760 K CA 1.103 57.402 56.287 0.020 0.000 0.933 760 K CB -0.208 32.350 32.500 0.096 0.000 0.717 760 K HN 0.290 nan 8.250 nan 0.000 0.442 761 Q N 1.184 120.934 119.800 -0.084 0.000 2.079 761 Q HA -0.190 4.149 4.340 -0.002 0.000 0.200 761 Q C 2.240 178.140 176.000 -0.167 0.000 0.974 761 Q CA 1.736 57.473 55.803 -0.110 0.000 0.840 761 Q CB -0.604 28.050 28.738 -0.139 0.000 0.898 761 Q HN 0.420 nan 8.270 nan 0.000 0.430 762 c N 0.140 118.531 118.600 -0.349 0.000 2.435 762 c HA -0.047 4.522 4.570 -0.002 0.000 0.279 762 c C 2.216 176.293 174.090 -0.023 0.000 1.321 762 c CA 0.380 56.513 56.329 -0.327 0.000 1.752 762 c CB -1.294 40.850 42.510 -0.611 0.000 1.959 762 c HN 0.509 nan 8.230 nan 0.000 0.500 763 F N 2.067 121.975 119.950 -0.070 0.000 2.746 763 F HA 0.253 4.778 4.527 -0.002 0.000 0.297 763 F C 1.753 177.537 175.800 -0.028 0.000 1.113 763 F CA 0.204 58.184 58.000 -0.033 0.000 1.367 763 F CB -1.090 37.898 39.000 -0.020 0.000 1.111 763 F HN 0.212 nan 8.300 nan 0.000 0.590 764 S N 1.892 117.677 115.700 0.141 0.000 2.563 764 S HA 0.171 4.640 4.470 -0.002 0.000 0.294 764 S C -0.208 174.426 174.600 0.057 0.000 1.279 764 S CA -0.289 57.957 58.200 0.077 0.000 1.069 764 S CB 0.109 63.333 63.200 0.039 0.000 0.828 764 S HN 0.191 nan 8.310 nan 0.000 0.497 765 L N 3.769 125.014 121.223 0.037 0.000 2.344 765 L HA 0.535 4.874 4.340 -0.002 0.000 0.272 765 L C -0.903 175.974 176.870 0.010 0.000 1.035 765 L CA -1.954 52.896 54.840 0.017 0.000 0.807 765 L CB 0.443 42.501 42.059 -0.001 0.000 1.237 765 L HN 0.700 nan 8.230 nan 0.000 0.442 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.102 63.100 0.004 0.000 0.800 766 P CB 0.000 31.701 31.700 0.002 0.000 0.726