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 1pkl_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIX XXXXXXXXAN QTRILLVE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.640 174.600 0.066 0.000 1.055 1 S CA 0.000 58.227 58.200 0.045 0.000 1.107 1 S CB 0.000 63.213 63.200 0.021 0.000 0.593 2 Q N -0.062 119.764 119.800 0.044 0.000 2.245 2 Q HA 0.214 4.554 4.340 -0.000 0.000 0.201 2 Q C 1.795 177.840 176.000 0.075 0.000 0.955 2 Q CA 1.654 57.496 55.803 0.065 0.000 0.870 2 Q CB -0.492 28.251 28.738 0.009 0.000 0.945 2 Q HN 0.660 nan 8.270 nan 0.000 0.461 3 L N 0.229 121.474 121.223 0.036 0.000 1.970 3 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 3 L C 2.144 179.037 176.870 0.039 0.000 1.071 3 L CA 2.356 57.209 54.840 0.021 0.000 0.751 3 L CB -1.086 40.979 42.059 0.009 0.000 0.889 3 L HN 0.251 nan 8.230 nan 0.000 0.432 4 A N -1.414 121.438 122.820 0.054 0.000 1.892 4 A HA -0.361 3.959 4.320 -0.000 0.000 0.218 4 A C 2.279 179.911 177.584 0.080 0.000 1.188 4 A CA 2.175 54.245 52.037 0.056 0.000 0.631 4 A CB -1.208 17.828 19.000 0.061 0.000 0.822 4 A HN 0.760 nan 8.150 nan 0.000 0.447 5 H N 0.344 119.425 119.070 0.018 0.000 2.353 5 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 5 H C 1.931 177.268 175.328 0.015 0.000 1.090 5 H CA 1.965 58.030 56.048 0.028 0.000 1.327 5 H CB -0.103 29.690 29.762 0.053 0.000 1.383 5 H HN 0.434 nan 8.280 nan 0.000 0.508 6 N N 0.279 118.986 118.700 0.012 0.000 2.205 6 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 6 N C 1.959 177.423 175.510 -0.077 0.000 1.015 6 N CA 1.122 54.140 53.050 -0.053 0.000 0.862 6 N CB -0.267 38.205 38.487 -0.025 0.000 0.986 6 N HN 0.427 nan 8.380 nan 0.000 0.429 7 L N 0.379 121.571 121.223 -0.052 0.000 2.131 7 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 7 L C 2.203 179.038 176.870 -0.059 0.000 1.092 7 L CA 1.471 56.286 54.840 -0.042 0.000 0.759 7 L CB -0.902 41.145 42.059 -0.020 0.000 0.903 7 L HN 0.299 nan 8.230 nan 0.000 0.435 8 T N -2.803 111.689 114.554 -0.102 0.000 3.081 8 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 8 T C 0.848 175.474 174.700 -0.123 0.000 1.113 8 T CA -0.143 61.894 62.100 -0.105 0.000 1.082 8 T CB -0.217 68.581 68.868 -0.116 0.000 0.939 8 T HN 0.041 nan 8.240 nan 0.000 0.506 9 L N 1.483 122.609 121.223 -0.161 0.000 2.472 9 L HA 0.539 4.879 4.340 -0.000 0.000 0.260 9 L C 0.414 177.243 176.870 -0.069 0.000 1.209 9 L CA -0.526 54.238 54.840 -0.127 0.000 0.817 9 L CB 0.931 42.910 42.059 -0.133 0.000 1.106 9 L HN 0.192 nan 8.230 nan 0.000 0.479 10 S N 0.048 115.713 115.700 -0.060 0.000 2.592 10 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 10 S C 0.292 174.816 174.600 -0.126 0.000 1.169 10 S CA -0.785 57.376 58.200 -0.066 0.000 0.958 10 S CB 1.091 64.310 63.200 0.032 0.000 1.095 10 S HN 0.555 nan 8.310 nan 0.000 0.471 11 I N 1.221 121.600 120.570 -0.319 0.000 3.291 11 I HA 0.197 4.367 4.170 -0.000 0.000 0.279 11 I C 0.550 176.463 176.117 -0.339 0.000 1.294 11 I CA 0.842 61.927 61.300 -0.357 0.000 1.428 11 I CB -0.399 37.310 38.000 -0.486 0.000 1.070 11 I HN 0.455 nan 8.210 nan 0.000 0.478 12 F N 2.200 122.159 119.950 0.014 0.000 2.754 12 F HA 0.146 4.673 4.527 -0.000 0.000 0.297 12 F C 0.921 176.727 175.800 0.011 0.000 1.122 12 F CA -0.841 57.166 58.000 0.011 0.000 1.400 12 F CB -0.613 38.392 39.000 0.008 0.000 1.117 12 F HN 0.316 nan 8.300 nan 0.000 0.587 13 D N -0.027 120.456 120.400 0.139 0.000 2.539 13 D HA 0.307 4.947 4.640 -0.000 0.000 0.276 13 D C -2.156 174.184 176.300 0.066 0.000 1.206 13 D CA -1.764 52.293 54.000 0.094 0.000 1.081 13 D CB -1.045 39.798 40.800 0.071 0.000 1.142 13 D HN -0.163 nan 8.370 nan 0.000 0.595 14 P HA 0.282 nan 4.420 nan 0.000 0.277 14 P C -0.841 176.487 177.300 0.047 0.000 1.276 14 P CA -0.571 62.558 63.100 0.047 0.000 0.788 14 P CB 0.615 32.341 31.700 0.043 0.000 1.114 15 V N -3.965 115.979 119.914 0.049 0.000 2.569 15 V HA 0.683 4.803 4.120 -0.000 0.000 0.301 15 V C -0.054 176.082 176.094 0.070 0.000 1.044 15 V CA -1.377 60.958 62.300 0.058 0.000 0.874 15 V CB 0.806 32.658 31.823 0.048 0.000 1.002 15 V HN 0.756 nan 8.190 nan 0.000 0.424 16 A N 3.155 126.026 122.820 0.086 0.000 2.537 16 A HA 0.202 4.521 4.320 -0.000 0.000 0.260 16 A C 0.682 178.350 177.584 0.140 0.000 1.082 16 A CA 0.372 52.475 52.037 0.110 0.000 0.765 16 A CB -0.740 18.329 19.000 0.114 0.000 1.019 16 A HN 1.178 nan 8.150 nan 0.000 0.507 17 N N 2.014 120.790 118.700 0.127 0.000 2.950 17 N HA 0.121 4.861 4.740 -0.000 0.000 0.313 17 N C -1.066 174.558 175.510 0.190 0.000 1.213 17 N CA 0.510 53.629 53.050 0.113 0.000 1.184 17 N CB -0.511 38.021 38.487 0.074 0.000 1.454 17 N HN 0.592 nan 8.380 nan 0.000 0.532 18 Y N 0.870 121.207 120.300 0.061 0.000 2.406 18 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 18 Y C -0.983 174.932 175.900 0.025 0.000 0.975 18 Y CA -1.303 56.836 58.100 0.065 0.000 1.056 18 Y CB 1.045 39.523 38.460 0.030 0.000 1.210 18 Y HN 0.149 nan 8.280 nan 0.000 0.448 19 R N 4.608 124.650 120.500 -0.762 0.000 2.439 19 R HA 0.713 5.053 4.340 -0.000 0.000 0.310 19 R C -0.512 175.379 176.300 -0.683 0.000 0.955 19 R CA 0.187 55.992 56.100 -0.492 0.000 0.853 19 R CB 1.480 31.625 30.300 -0.259 0.000 1.171 19 R HN 0.887 nan 8.270 nan 0.000 0.449 20 A N 4.042 126.652 122.820 -0.350 0.000 1.903 20 A HA 0.255 4.575 4.320 -0.000 0.000 0.213 20 A C 0.905 178.422 177.584 -0.112 0.000 1.185 20 A CA 0.834 52.782 52.037 -0.148 0.000 0.628 20 A CB -0.181 18.847 19.000 0.046 0.000 0.830 20 A HN 0.760 nan 8.150 nan 0.000 0.446 21 A N 0.541 123.295 122.820 -0.111 0.000 2.466 21 A HA 0.494 4.814 4.320 -0.000 0.000 0.238 21 A C 0.251 177.791 177.584 -0.074 0.000 1.074 21 A CA -0.135 51.851 52.037 -0.085 0.000 0.774 21 A CB 0.145 19.091 19.000 -0.089 0.000 1.015 21 A HN 0.379 nan 8.150 nan 0.000 0.498 22 R N 0.541 121.012 120.500 -0.048 0.000 2.664 22 R HA 0.595 4.935 4.340 -0.000 0.000 0.286 22 R C -0.999 175.291 176.300 -0.017 0.000 0.967 22 R CA -0.546 55.536 56.100 -0.029 0.000 0.933 22 R CB 1.237 31.530 30.300 -0.011 0.000 1.146 22 R HN 0.680 nan 8.270 nan 0.000 0.468 23 I N 3.511 124.078 120.570 -0.005 0.000 2.378 23 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 23 I C 0.112 176.246 176.117 0.028 0.000 0.992 23 I CA -0.586 60.718 61.300 0.007 0.000 1.154 23 I CB 1.387 39.391 38.000 0.006 0.000 1.315 23 I HN 0.287 nan 8.210 nan 0.000 0.448 24 I N 5.614 126.209 120.570 0.041 0.000 2.354 24 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 24 I C -0.625 175.534 176.117 0.071 0.000 0.989 24 I CA -0.395 60.951 61.300 0.077 0.000 1.188 24 I CB 1.428 39.504 38.000 0.127 0.000 1.342 24 I HN 0.534 nan 8.210 nan 0.000 0.457 25 C N 3.738 123.079 119.300 0.068 0.000 2.379 25 C HA 0.444 4.904 4.460 -0.000 0.000 0.323 25 C C 0.541 175.574 174.990 0.072 0.000 1.262 25 C CA -0.636 58.418 59.018 0.060 0.000 1.581 25 C CB 1.214 28.981 27.740 0.045 0.000 2.221 25 C HN 0.667 nan 8.230 nan 0.000 0.497 26 T N 4.906 119.507 114.554 0.078 0.000 2.761 26 T HA 0.303 4.653 4.350 -0.000 0.000 0.296 26 T C 0.372 175.124 174.700 0.086 0.000 0.934 26 T CA -0.100 62.056 62.100 0.093 0.000 1.091 26 T CB 0.024 68.953 68.868 0.100 0.000 0.896 26 T HN 0.357 nan 8.240 nan 0.000 0.515 27 I N 3.185 123.814 120.570 0.098 0.000 2.519 27 I HA 0.586 4.756 4.170 -0.000 0.000 0.287 27 I C 1.024 177.227 176.117 0.144 0.000 1.047 27 I CA 0.012 61.370 61.300 0.096 0.000 1.381 27 I CB 0.666 38.712 38.000 0.076 0.000 1.417 27 I HN 0.798 nan 8.210 nan 0.000 0.540 28 G N 5.640 114.516 108.800 0.127 0.000 2.706 28 G HA2 0.458 4.418 3.960 -0.000 0.000 0.307 28 G HA3 0.458 4.418 3.960 -0.000 0.000 0.307 28 G C -2.614 172.381 174.900 0.159 0.000 1.307 28 G CA -0.437 44.770 45.100 0.178 0.000 0.790 28 G HN 0.272 nan 8.290 nan 0.000 0.503 29 P HA -0.099 nan 4.420 nan 0.000 0.217 29 P C 1.870 179.203 177.300 0.054 0.000 1.148 29 P CA 2.380 65.546 63.100 0.110 0.000 0.828 29 P CB 0.226 31.958 31.700 0.055 0.000 0.783 30 S N -2.836 112.884 115.700 0.033 0.000 2.575 30 S HA 0.061 4.531 4.470 -0.000 0.000 0.215 30 S C 1.075 175.682 174.600 0.011 0.000 0.966 30 S CA 0.797 59.002 58.200 0.008 0.000 0.911 30 S CB -1.009 62.182 63.200 -0.016 0.000 0.780 30 S HN 0.209 nan 8.310 nan 0.000 0.514 31 T N -2.788 111.781 114.554 0.025 0.000 3.328 31 T HA 0.319 4.669 4.350 -0.000 0.000 0.305 31 T C 1.049 175.757 174.700 0.013 0.000 0.939 31 T CA -0.313 61.799 62.100 0.020 0.000 0.950 31 T CB -0.007 68.876 68.868 0.026 0.000 1.182 31 T HN 0.273 nan 8.240 nan 0.000 0.545 32 Q N 2.160 121.965 119.800 0.009 0.000 2.245 32 Q HA 0.072 4.412 4.340 -0.000 0.000 0.201 32 Q C 1.029 177.007 176.000 -0.037 0.000 0.955 32 Q CA 0.621 56.406 55.803 -0.031 0.000 0.870 32 Q CB 0.090 28.782 28.738 -0.076 0.000 0.945 32 Q HN 0.713 nan 8.270 nan 0.000 0.461 33 S N -0.992 114.696 115.700 -0.019 0.000 2.573 33 S HA 0.016 4.486 4.470 -0.000 0.000 0.277 33 S C 1.317 175.908 174.600 -0.015 0.000 1.346 33 S CA -0.360 57.829 58.200 -0.017 0.000 1.034 33 S CB 1.266 64.461 63.200 -0.008 0.000 0.879 33 S HN 0.106 nan 8.310 nan 0.000 0.528 34 V N 1.646 121.551 119.914 -0.015 0.000 2.392 34 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 34 V C 2.708 178.799 176.094 -0.005 0.000 1.059 34 V CA 2.306 64.599 62.300 -0.011 0.000 1.051 34 V CB -1.275 30.542 31.823 -0.011 0.000 0.658 34 V HN 1.046 nan 8.190 nan 0.000 0.455 35 E N 0.298 120.496 120.200 -0.003 0.000 2.072 35 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 35 E C 2.234 178.836 176.600 0.003 0.000 0.985 35 E CA 1.214 57.615 56.400 0.001 0.000 0.801 35 E CB -0.188 29.513 29.700 0.001 0.000 0.750 35 E HN 0.576 nan 8.360 nan 0.000 0.452 36 A N 0.754 123.575 122.820 0.002 0.000 1.968 36 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 36 A C 2.126 179.714 177.584 0.008 0.000 1.169 36 A CA 0.711 52.752 52.037 0.006 0.000 0.638 36 A CB -0.427 18.575 19.000 0.005 0.000 0.812 36 A HN 0.275 nan 8.150 nan 0.000 0.446 37 L N -0.683 120.543 121.223 0.004 0.000 2.056 37 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 37 L C 2.525 179.399 176.870 0.007 0.000 1.078 37 L CA 1.420 56.262 54.840 0.005 0.000 0.749 37 L CB -0.373 41.684 42.059 -0.002 0.000 0.901 37 L HN 0.322 nan 8.230 nan 0.000 0.433 38 K N -0.065 120.339 120.400 0.005 0.000 2.147 38 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 38 K C 2.070 178.677 176.600 0.012 0.000 1.049 38 K CA 1.280 57.572 56.287 0.008 0.000 0.936 38 K CB -0.379 32.124 32.500 0.006 0.000 0.722 38 K HN 0.411 nan 8.250 nan 0.000 0.446 39 G N 1.057 109.865 108.800 0.013 0.000 2.422 39 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 39 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 39 G C 1.381 176.293 174.900 0.021 0.000 1.140 39 G CA 0.240 45.350 45.100 0.017 0.000 0.775 39 G HN 0.049 nan 8.290 nan 0.000 0.545 40 L N 0.690 121.925 121.223 0.020 0.000 2.056 40 L HA 0.169 4.509 4.340 -0.000 0.000 0.207 40 L C 2.792 179.674 176.870 0.020 0.000 1.078 40 L CA 0.990 55.844 54.840 0.023 0.000 0.749 40 L CB -0.494 41.578 42.059 0.022 0.000 0.901 40 L HN 0.212 nan 8.230 nan 0.000 0.433 41 I N -1.223 119.357 120.570 0.017 0.000 2.179 41 I HA -0.341 3.829 4.170 -0.000 0.000 0.242 41 I C 2.393 178.520 176.117 0.017 0.000 1.088 41 I CA 1.154 62.463 61.300 0.016 0.000 1.357 41 I CB -0.328 37.680 38.000 0.014 0.000 1.051 41 I HN 0.357 nan 8.210 nan 0.000 0.409 42 Q N 0.164 119.974 119.800 0.017 0.000 2.170 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 42 Q C 2.320 178.329 176.000 0.015 0.000 0.976 42 Q CA 1.581 57.394 55.803 0.016 0.000 0.858 42 Q CB -0.083 28.664 28.738 0.015 0.000 0.907 42 Q HN 0.429 nan 8.270 nan 0.000 0.433 43 S N -1.126 114.585 115.700 0.018 0.000 2.461 43 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 43 S C 1.218 175.827 174.600 0.015 0.000 1.005 43 S CA 0.912 59.124 58.200 0.019 0.000 0.942 43 S CB 0.516 63.733 63.200 0.029 0.000 0.776 43 S HN 0.639 nan 8.310 nan 0.000 0.514 44 G N 0.694 109.502 108.800 0.014 0.000 2.456 44 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.208 44 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.208 44 G C -0.066 174.840 174.900 0.011 0.000 1.004 44 G CA -0.412 44.693 45.100 0.008 0.000 0.791 44 G HN 0.344 nan 8.290 nan 0.000 0.537 45 M N 1.510 121.120 119.600 0.016 0.000 2.200 45 M HA 0.551 5.031 4.480 -0.000 0.000 0.355 45 M C 0.842 177.153 176.300 0.017 0.000 1.283 45 M CA 0.389 55.701 55.300 0.019 0.000 1.124 45 M CB 1.158 33.771 32.600 0.022 0.000 1.625 45 M HN -0.031 nan 8.290 nan 0.000 0.463 46 S N 3.154 118.866 115.700 0.019 0.000 2.564 46 S HA 0.229 4.699 4.470 -0.000 0.000 0.231 46 S C -0.112 174.500 174.600 0.020 0.000 1.067 46 S CA -0.219 57.991 58.200 0.018 0.000 0.908 46 S CB 0.659 63.870 63.200 0.017 0.000 0.809 46 S HN 0.649 nan 8.310 nan 0.000 0.491 47 V N 1.646 121.579 119.914 0.031 0.000 2.656 47 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 47 V C -0.691 175.421 176.094 0.030 0.000 1.051 47 V CA -1.097 61.223 62.300 0.033 0.000 0.893 47 V CB 1.481 33.351 31.823 0.078 0.000 0.999 47 V HN 0.256 nan 8.190 nan 0.000 0.426 48 A N 4.674 127.495 122.820 0.001 0.000 2.253 48 A HA 0.694 5.014 4.320 -0.000 0.000 0.316 48 A C -0.006 177.564 177.584 -0.023 0.000 1.327 48 A CA -0.525 51.514 52.037 0.004 0.000 0.917 48 A CB 0.364 19.362 19.000 -0.003 0.000 1.162 48 A HN 0.833 nan 8.150 nan 0.000 0.535 49 R N 3.521 124.029 120.500 0.013 0.000 2.312 49 R HA 0.574 4.914 4.340 -0.000 0.000 0.311 49 R C -0.971 175.351 176.300 0.037 0.000 1.004 49 R CA -0.339 55.750 56.100 -0.019 0.000 0.902 49 R CB 0.607 30.970 30.300 0.106 0.000 1.073 49 R HN 0.764 nan 8.270 nan 0.000 0.457 50 M N 4.061 123.669 119.600 0.012 0.000 2.066 50 M HA 0.171 4.651 4.480 -0.000 0.000 0.340 50 M C -0.280 176.120 176.300 0.167 0.000 1.053 50 M CA -0.741 54.633 55.300 0.123 0.000 0.983 50 M CB 1.394 34.097 32.600 0.171 0.000 1.520 50 M HN 0.423 nan 8.290 nan 0.000 0.428 51 N N 2.628 121.454 118.700 0.209 0.000 2.415 51 N HA 0.109 4.849 4.740 -0.000 0.000 0.250 51 N C -0.272 175.389 175.510 0.252 0.000 1.127 51 N CA 0.040 53.225 53.050 0.226 0.000 0.945 51 N CB 0.228 38.849 38.487 0.224 0.000 1.196 51 N HN 0.459 nan 8.380 nan 0.000 0.499 52 F N 1.013 120.934 119.950 -0.048 0.000 2.802 52 F HA -0.009 4.518 4.527 0.000 0.000 0.300 52 F C 2.204 178.042 175.800 0.063 0.000 1.168 52 F CA 0.230 58.222 58.000 -0.013 0.000 1.433 52 F CB -0.326 38.629 39.000 -0.075 0.000 1.115 52 F HN 0.525 nan 8.300 nan 0.000 0.582 53 S N -1.656 114.120 115.700 0.127 0.000 2.607 53 S HA 0.009 4.479 4.470 -0.000 0.000 0.224 53 S C 0.032 174.381 174.600 -0.418 0.000 0.969 53 S CA 0.243 58.380 58.200 -0.105 0.000 0.927 53 S CB -0.702 62.412 63.200 -0.144 0.000 0.772 53 S HN 0.442 nan 8.310 nan 0.000 0.533 54 H N -0.651 118.476 119.070 0.096 0.000 3.026 54 H HA 0.602 5.158 4.556 -0.000 0.000 0.352 54 H C 0.055 175.347 175.328 -0.060 0.000 1.090 54 H CA 0.049 56.100 56.048 0.006 0.000 1.268 54 H CB 1.567 31.316 29.762 -0.022 0.000 1.816 54 H HN 0.482 nan 8.280 nan 0.000 0.518 55 G N 1.231 109.997 108.800 -0.058 0.000 2.697 55 G HA2 0.081 4.041 3.960 -0.000 0.000 0.686 55 G HA3 0.081 4.041 3.960 -0.000 0.000 0.686 55 G C -0.289 174.472 174.900 -0.231 0.000 1.179 55 G CA -0.534 44.386 45.100 -0.300 0.000 0.765 55 G HN 0.887 nan 8.290 nan 0.000 0.649 56 S N 0.366 115.935 115.700 -0.217 0.000 2.669 56 S HA 0.496 4.966 4.470 -0.000 0.000 0.270 56 S C 1.169 175.707 174.600 -0.104 0.000 1.225 56 S CA 0.248 58.368 58.200 -0.133 0.000 0.991 56 S CB 1.095 64.228 63.200 -0.110 0.000 0.987 56 S HN 0.758 nan 8.310 nan 0.000 0.552 57 H N 0.317 119.211 119.070 -0.293 0.000 2.489 57 H HA -0.085 4.471 4.556 -0.000 0.000 0.295 57 H C 1.691 176.877 175.328 -0.238 0.000 1.082 57 H CA 1.653 57.396 56.048 -0.507 0.000 1.295 57 H CB 0.174 29.434 29.762 -0.836 0.000 1.380 57 H HN 0.744 nan 8.280 nan 0.000 0.548 58 E N 0.099 120.295 120.200 -0.006 0.000 2.158 58 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 58 E C 1.633 178.242 176.600 0.015 0.000 0.982 58 E CA 0.466 56.886 56.400 0.033 0.000 0.823 58 E CB -0.014 29.697 29.700 0.019 0.000 0.766 58 E HN 0.464 nan 8.360 nan 0.000 0.468 59 Y N 1.207 121.402 120.300 -0.176 0.000 2.163 59 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 59 Y C 2.126 177.897 175.900 -0.215 0.000 1.136 59 Y CA 1.719 59.669 58.100 -0.249 0.000 1.147 59 Y CB -0.029 38.175 38.460 -0.428 0.000 0.987 59 Y HN 0.106 nan 8.280 nan 0.000 0.509 60 H N -0.824 118.227 119.070 -0.032 0.000 2.462 60 H HA -0.085 4.471 4.556 0.000 0.000 0.292 60 H C 2.004 177.401 175.328 0.115 0.000 1.049 60 H CA 1.420 57.467 56.048 -0.002 0.000 1.334 60 H CB -0.215 29.547 29.762 -0.000 0.000 1.404 60 H HN 0.385 nan 8.280 nan 0.000 0.544 61 Q N 0.709 120.668 119.800 0.265 0.000 2.119 61 Q HA -0.080 4.260 4.340 -0.000 0.000 0.201 61 Q C 2.013 178.057 176.000 0.073 0.000 0.972 61 Q CA 1.749 57.702 55.803 0.249 0.000 0.847 61 Q CB -0.172 28.727 28.738 0.267 0.000 0.903 61 Q HN 0.276 nan 8.270 nan 0.000 0.433 62 T N -0.407 114.133 114.554 -0.024 0.000 2.777 62 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 62 T C 1.676 176.319 174.700 -0.096 0.000 1.040 62 T CA 1.701 63.750 62.100 -0.086 0.000 1.141 62 T CB -0.536 68.231 68.868 -0.170 0.000 0.868 62 T HN 0.381 nan 8.240 nan 0.000 0.444 63 T N 2.253 116.730 114.554 -0.129 0.000 2.708 63 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 63 T C 1.981 176.671 174.700 -0.017 0.000 1.037 63 T CA 0.937 62.990 62.100 -0.079 0.000 1.146 63 T CB -0.431 68.420 68.868 -0.030 0.000 0.865 63 T HN 0.314 nan 8.240 nan 0.000 0.435 64 I N 1.615 122.197 120.570 0.019 0.000 2.163 64 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 64 I C 2.373 178.479 176.117 -0.018 0.000 1.085 64 I CA 1.114 62.416 61.300 0.003 0.000 1.347 64 I CB -0.405 37.601 38.000 0.009 0.000 1.044 64 I HN 0.209 nan 8.210 nan 0.000 0.408 65 N N 0.982 119.674 118.700 -0.013 0.000 2.142 65 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 65 N C 1.552 177.048 175.510 -0.023 0.000 1.023 65 N CA 1.175 54.214 53.050 -0.019 0.000 0.852 65 N CB -0.623 37.857 38.487 -0.011 0.000 0.998 65 N HN 0.340 nan 8.380 nan 0.000 0.424 66 N N 0.458 119.141 118.700 -0.029 0.000 2.244 66 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 66 N C 1.809 177.305 175.510 -0.023 0.000 1.016 66 N CA 0.346 53.379 53.050 -0.028 0.000 0.866 66 N CB -0.391 38.073 38.487 -0.039 0.000 0.980 66 N HN 0.025 nan 8.380 nan 0.000 0.430 67 V N 0.910 120.810 119.914 -0.024 0.000 2.307 67 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 67 V C 2.370 178.450 176.094 -0.024 0.000 1.045 67 V CA 1.359 63.647 62.300 -0.021 0.000 1.024 67 V CB -0.302 31.508 31.823 -0.021 0.000 0.651 67 V HN 0.125 nan 8.190 nan 0.000 0.449 68 R N -0.172 120.310 120.500 -0.030 0.000 2.091 68 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 68 R C 2.399 178.683 176.300 -0.027 0.000 1.136 68 R CA 1.889 57.968 56.100 -0.034 0.000 0.959 68 R CB -0.452 29.825 30.300 -0.038 0.000 0.856 68 R HN 0.621 nan 8.270 nan 0.000 0.437 69 Q N -0.909 118.878 119.800 -0.021 0.000 2.096 69 Q HA -0.046 4.294 4.340 -0.000 0.000 0.197 69 Q C 1.901 177.894 176.000 -0.012 0.000 0.964 69 Q CA 1.323 57.117 55.803 -0.016 0.000 0.838 69 Q CB -0.042 28.687 28.738 -0.014 0.000 0.906 69 Q HN 0.387 nan 8.270 nan 0.000 0.444 70 A N 0.891 123.704 122.820 -0.012 0.000 1.902 70 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 70 A C 2.253 179.835 177.584 -0.005 0.000 1.181 70 A CA 1.731 53.764 52.037 -0.007 0.000 0.623 70 A CB -0.902 18.094 19.000 -0.006 0.000 0.818 70 A HN 0.532 nan 8.150 nan 0.000 0.443 71 A N -0.174 122.641 122.820 -0.009 0.000 1.873 71 A HA 0.185 4.505 4.320 -0.000 0.000 0.215 71 A C 2.533 180.112 177.584 -0.007 0.000 1.186 71 A CA 2.096 54.128 52.037 -0.008 0.000 0.616 71 A CB -1.094 17.895 19.000 -0.018 0.000 0.823 71 A HN 1.063 nan 8.150 nan 0.000 0.442 72 A N -0.260 122.552 122.820 -0.012 0.000 1.883 72 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 72 A C 1.939 179.523 177.584 -0.001 0.000 1.186 72 A CA 1.781 53.812 52.037 -0.010 0.000 0.624 72 A CB -0.645 18.347 19.000 -0.014 0.000 0.822 72 A HN 0.626 nan 8.150 nan 0.000 0.444 73 E N -0.601 119.599 120.200 -0.001 0.000 2.160 73 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 73 E C 1.763 178.367 176.600 0.007 0.000 0.991 73 E CA 1.087 57.489 56.400 0.002 0.000 0.810 73 E CB -0.187 29.513 29.700 0.001 0.000 0.742 73 E HN 0.633 nan 8.360 nan 0.000 0.466 74 L N -1.148 120.080 121.223 0.009 0.000 2.446 74 L HA 0.122 4.462 4.340 -0.000 0.000 0.219 74 L C 1.320 178.204 176.870 0.022 0.000 1.116 74 L CA 0.446 55.295 54.840 0.015 0.000 0.844 74 L CB 0.265 42.333 42.059 0.015 0.000 0.970 74 L HN 0.291 nan 8.230 nan 0.000 0.457 75 G N 0.953 109.765 108.800 0.020 0.000 2.142 75 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.225 75 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.225 75 G C 0.075 174.997 174.900 0.037 0.000 1.015 75 G CA 0.193 45.311 45.100 0.029 0.000 0.716 75 G HN 0.235 nan 8.290 nan 0.000 0.508 76 V N -3.763 116.166 119.914 0.025 0.000 3.204 76 V HA 0.884 5.004 4.120 -0.000 0.000 0.316 76 V C -0.216 175.879 176.094 0.000 0.000 1.160 76 V CA -1.800 60.516 62.300 0.026 0.000 1.044 76 V CB 2.066 33.908 31.823 0.032 0.000 1.136 76 V HN 0.125 nan 8.190 nan 0.000 0.455 77 N N 1.671 120.368 118.700 -0.005 0.000 2.443 77 N HA 0.583 5.323 4.740 -0.000 0.000 0.269 77 N C -1.355 174.143 175.510 -0.021 0.000 0.985 77 N CA -0.272 52.760 53.050 -0.031 0.000 0.921 77 N CB 1.782 40.240 38.487 -0.049 0.000 1.195 77 N HN 0.573 nan 8.380 nan 0.000 0.492 78 I N 1.351 121.904 120.570 -0.027 0.000 2.433 78 I HA 0.389 4.559 4.170 -0.000 0.000 0.292 78 I C 0.628 176.725 176.117 -0.033 0.000 1.001 78 I CA -1.074 60.214 61.300 -0.020 0.000 1.119 78 I CB 1.199 39.191 38.000 -0.014 0.000 1.289 78 I HN 0.358 nan 8.210 nan 0.000 0.438 79 A N 7.463 130.267 122.820 -0.027 0.000 2.407 79 A HA 0.639 4.959 4.320 -0.000 0.000 0.248 79 A C -0.130 177.417 177.584 -0.061 0.000 1.082 79 A CA -0.158 51.854 52.037 -0.042 0.000 0.785 79 A CB 0.324 19.311 19.000 -0.022 0.000 1.020 79 A HN 0.651 nan 8.150 nan 0.000 0.489 80 I N 1.438 121.952 120.570 -0.094 0.000 2.389 80 I HA 0.497 4.667 4.170 -0.000 0.000 0.288 80 I C 0.330 176.322 176.117 -0.209 0.000 0.999 80 I CA -0.190 61.036 61.300 -0.123 0.000 1.129 80 I CB 1.736 39.671 38.000 -0.108 0.000 1.288 80 I HN 0.693 nan 8.210 nan 0.000 0.444 81 A N 7.377 130.013 122.820 -0.305 0.000 2.330 81 A HA 0.706 5.026 4.320 -0.000 0.000 0.327 81 A C -1.000 176.261 177.584 -0.537 0.000 1.155 81 A CA -0.525 51.155 52.037 -0.594 0.000 0.803 81 A CB 1.379 19.684 19.000 -1.159 0.000 1.208 81 A HN 0.771 nan 8.150 nan 0.000 0.477 82 L N 2.713 123.610 121.223 -0.543 0.000 2.277 82 L HA 0.358 4.698 4.340 -0.000 0.000 0.284 82 L C -0.873 175.748 176.870 -0.415 0.000 1.028 82 L CA -0.564 53.972 54.840 -0.507 0.000 0.835 82 L CB 0.778 42.454 42.059 -0.638 0.000 1.215 82 L HN 0.689 nan 8.230 nan 0.000 0.425 83 D N 3.762 124.025 120.400 -0.228 0.000 2.339 83 D HA 0.093 4.733 4.640 -0.000 0.000 0.241 83 D C -0.113 176.199 176.300 0.020 0.000 1.183 83 D CA 0.009 54.003 54.000 -0.010 0.000 0.859 83 D CB 1.274 42.161 40.800 0.144 0.000 1.067 83 D HN 0.436 nan 8.370 nan 0.000 0.484 84 T N 2.914 117.469 114.554 0.003 0.000 2.932 84 T HA -0.036 4.314 4.350 -0.000 0.000 0.312 84 T C 1.441 176.202 174.700 0.102 0.000 1.071 84 T CA 0.068 62.188 62.100 0.034 0.000 1.128 84 T CB 1.118 69.998 68.868 0.020 0.000 0.984 84 T HN 0.420 nan 8.240 nan 0.000 0.549 85 K N 1.859 122.340 120.400 0.135 0.000 2.116 85 K HA 0.161 4.481 4.320 -0.000 0.000 0.203 85 K C 1.058 177.779 176.600 0.203 0.000 1.052 85 K CA 0.961 57.334 56.287 0.144 0.000 0.952 85 K CB -0.481 32.088 32.500 0.114 0.000 0.729 85 K HN 0.927 nan 8.250 nan 0.000 0.446 86 G N 1.166 110.075 108.800 0.182 0.000 2.855 86 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.352 86 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.352 86 G C -2.639 172.352 174.900 0.151 0.000 1.415 86 G CA -0.356 44.883 45.100 0.233 0.000 0.871 86 G HN 0.256 nan 8.290 nan 0.000 0.543 87 P HA 0.379 nan 4.420 nan 0.000 0.275 87 P C -0.451 176.730 177.300 -0.199 0.000 1.228 87 P CA 0.234 63.307 63.100 -0.044 0.000 0.786 87 P CB 1.030 32.696 31.700 -0.057 0.000 0.927 88 E N 1.617 121.719 120.200 -0.163 0.000 2.304 88 E HA 0.491 4.841 4.350 -0.000 0.000 0.277 88 E C -1.058 175.455 176.600 -0.145 0.000 0.898 88 E CA -0.909 55.365 56.400 -0.209 0.000 0.764 88 E CB 1.248 30.877 29.700 -0.118 0.000 1.216 88 E HN 0.265 nan 8.360 nan 0.000 0.419 89 I N 3.470 123.933 120.570 -0.178 0.000 2.291 89 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 89 I C 0.438 176.521 176.117 -0.057 0.000 1.050 89 I CA -0.549 60.683 61.300 -0.114 0.000 1.245 89 I CB 0.320 38.226 38.000 -0.157 0.000 1.405 89 I HN 0.328 nan 8.210 nan 0.000 0.478 90 R N 3.329 123.811 120.500 -0.030 0.000 2.843 90 R HA 0.672 5.012 4.340 -0.000 0.000 0.232 90 R C 0.082 176.381 176.300 -0.002 0.000 1.305 90 R CA -0.716 55.386 56.100 0.003 0.000 1.096 90 R CB 1.587 31.898 30.300 0.018 0.000 1.455 90 R HN 0.581 nan 8.270 nan 0.000 0.520 91 T N -2.438 112.136 114.554 0.034 0.000 2.937 91 T HA 0.559 4.909 4.350 -0.000 0.000 0.283 91 T C 0.641 175.353 174.700 0.020 0.000 1.012 91 T CA -0.728 61.398 62.100 0.045 0.000 0.997 91 T CB 1.659 70.598 68.868 0.118 0.000 1.136 91 T HN 0.587 nan 8.240 nan 0.000 0.551 92 G N -0.377 108.450 108.800 0.046 0.000 2.509 92 G HA2 0.506 4.466 3.960 -0.000 0.000 0.269 92 G HA3 0.506 4.466 3.960 -0.000 0.000 0.269 92 G C -0.516 174.245 174.900 -0.231 0.000 1.416 92 G CA -0.844 44.307 45.100 0.085 0.000 1.052 92 G HN 0.845 nan 8.290 nan 0.000 0.542 93 Q N -1.362 118.322 119.800 -0.193 0.000 2.249 93 Q HA 0.536 4.876 4.340 -0.000 0.000 0.226 93 Q C -1.346 174.401 176.000 -0.421 0.000 0.983 93 Q CA -0.145 55.520 55.803 -0.231 0.000 0.930 93 Q CB 1.545 30.252 28.738 -0.051 0.000 1.193 93 Q HN 0.369 nan 8.270 nan 0.000 0.508 94 F N -0.707 119.277 119.950 0.056 0.000 2.579 94 F HA 0.359 4.886 4.527 -0.000 0.000 0.324 94 F C -0.383 175.442 175.800 0.042 0.000 1.058 94 F CA -1.191 56.840 58.000 0.051 0.000 0.944 94 F CB 1.260 40.261 39.000 0.001 0.000 1.245 94 F HN 0.141 nan 8.300 nan 0.000 0.477 95 V N 2.105 122.178 119.914 0.264 0.000 2.415 95 V HA 0.404 4.524 4.120 -0.000 0.000 0.267 95 V C 0.716 176.883 176.094 0.122 0.000 1.042 95 V CA 0.633 63.022 62.300 0.149 0.000 1.000 95 V CB 0.082 31.980 31.823 0.126 0.000 1.015 95 V HN 1.060 nan 8.190 nan 0.000 0.478 96 G N 4.089 112.943 108.800 0.089 0.000 2.131 96 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.223 96 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.223 96 G C 0.957 175.895 174.900 0.063 0.000 0.990 96 G CA -0.031 45.103 45.100 0.058 0.000 0.671 96 G HN 2.100 nan 8.290 nan 0.000 0.521 97 G N -0.987 107.879 108.800 0.109 0.000 2.296 97 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.282 97 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.282 97 G C 0.049 175.004 174.900 0.092 0.000 1.014 97 G CA 1.480 46.655 45.100 0.125 0.000 0.812 97 G HN 1.605 nan 8.290 nan 0.000 0.508 98 D N -1.565 118.858 120.400 0.038 0.000 2.599 98 D HA 0.744 5.384 4.640 -0.000 0.000 0.252 98 D C -0.537 175.526 176.300 -0.394 0.000 1.232 98 D CA 0.469 54.369 54.000 -0.168 0.000 0.819 98 D CB 1.326 42.056 40.800 -0.116 0.000 1.401 98 D HN 0.999 nan 8.370 nan 0.000 0.429 99 A N 1.506 123.960 122.820 -0.610 0.000 2.667 99 A HA 0.441 4.761 4.320 -0.000 0.000 0.291 99 A C -1.352 175.965 177.584 -0.445 0.000 1.123 99 A CA -0.592 51.056 52.037 -0.648 0.000 0.832 99 A CB 0.679 18.876 19.000 -1.339 0.000 1.396 99 A HN 0.343 nan 8.150 nan 0.000 0.401 100 V N 4.565 124.325 119.914 -0.257 0.000 2.364 100 V HA 0.138 4.258 4.120 -0.000 0.000 0.252 100 V C 0.365 176.380 176.094 -0.132 0.000 1.075 100 V CA 0.124 62.313 62.300 -0.185 0.000 1.033 100 V CB -0.138 31.614 31.823 -0.118 0.000 1.116 100 V HN 0.792 nan 8.190 nan 0.000 0.488 101 M N 4.410 123.929 119.600 -0.135 0.000 2.235 101 M HA 0.479 4.959 4.480 -0.000 0.000 0.351 101 M C 0.117 176.403 176.300 -0.022 0.000 1.178 101 M CA 0.236 55.503 55.300 -0.055 0.000 1.143 101 M CB 0.591 33.174 32.600 -0.028 0.000 1.530 101 M HN 0.596 nan 8.290 nan 0.000 0.461 102 E N 0.858 121.057 120.200 -0.001 0.000 2.317 102 E HA 0.449 4.799 4.350 -0.000 0.000 0.270 102 E C -0.880 175.727 176.600 0.013 0.000 0.885 102 E CA -0.967 55.435 56.400 0.004 0.000 0.760 102 E CB 2.612 32.311 29.700 -0.002 0.000 1.227 102 E HN 0.469 nan 8.360 nan 0.000 0.434 103 R N 0.157 120.665 120.500 0.014 0.000 2.740 103 R HA -0.000 4.340 4.340 -0.000 0.000 0.263 103 R C 1.213 177.520 176.300 0.011 0.000 0.997 103 R CA 1.891 58.000 56.100 0.015 0.000 1.108 103 R CB 0.029 30.336 30.300 0.012 0.000 0.969 103 R HN 0.894 nan 8.270 nan 0.000 0.431 104 G N 1.163 109.970 108.800 0.012 0.000 2.382 104 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.259 104 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.259 104 G C 0.267 175.166 174.900 -0.002 0.000 1.009 104 G CA 0.455 45.558 45.100 0.005 0.000 0.625 104 G HN 0.928 nan 8.290 nan 0.000 0.541 105 A N 0.597 123.417 122.820 0.001 0.000 2.520 105 A HA 0.541 4.861 4.320 -0.000 0.000 0.245 105 A C 0.763 178.331 177.584 -0.028 0.000 1.072 105 A CA 1.408 53.442 52.037 -0.004 0.000 0.761 105 A CB 0.196 19.201 19.000 0.007 0.000 1.004 105 A HN 0.775 nan 8.150 nan 0.000 0.499 106 T N 2.166 116.688 114.554 -0.053 0.000 2.845 106 T HA 0.506 4.856 4.350 -0.000 0.000 0.288 106 T C 0.195 174.780 174.700 -0.191 0.000 0.980 106 T CA 0.166 62.182 62.100 -0.141 0.000 1.071 106 T CB 0.219 68.998 68.868 -0.149 0.000 0.941 106 T HN 1.178 nan 8.240 nan 0.000 0.487 107 C N 2.077 121.184 119.300 -0.322 0.000 3.154 107 C HA 0.837 5.297 4.460 -0.000 0.000 0.312 107 C C -1.769 172.821 174.990 -0.668 0.000 1.349 107 C CA -1.340 57.502 59.018 -0.293 0.000 1.518 107 C CB 0.266 28.012 27.740 0.010 0.000 1.934 107 C HN 0.789 nan 8.230 nan 0.000 0.462 108 Y N 0.528 120.752 120.300 -0.126 0.000 2.331 108 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 108 Y C 0.011 175.650 175.900 -0.435 0.000 0.960 108 Y CA -0.780 57.184 58.100 -0.226 0.000 1.130 108 Y CB 1.859 40.203 38.460 -0.192 0.000 1.164 108 Y HN 0.615 nan 8.280 nan 0.000 0.458 109 V N 3.477 123.195 119.914 -0.326 0.000 2.350 109 V HA 0.468 4.588 4.120 -0.000 0.000 0.276 109 V C 0.081 176.017 176.094 -0.264 0.000 1.028 109 V CA -0.346 61.660 62.300 -0.490 0.000 0.860 109 V CB 1.377 32.973 31.823 -0.379 0.000 0.990 109 V HN 0.864 nan 8.190 nan 0.000 0.453 110 T N 2.651 117.054 114.554 -0.252 0.000 2.926 110 T HA 0.441 4.791 4.350 -0.000 0.000 0.289 110 T C 0.896 175.610 174.700 0.024 0.000 1.054 110 T CA 0.055 62.083 62.100 -0.120 0.000 1.015 110 T CB 1.904 70.644 68.868 -0.213 0.000 1.167 110 T HN 0.736 nan 8.240 nan 0.000 0.526 111 T N 0.255 114.860 114.554 0.085 0.000 3.001 111 T HA 0.178 4.528 4.350 -0.000 0.000 0.251 111 T C 0.364 175.282 174.700 0.364 0.000 1.040 111 T CA -0.328 61.884 62.100 0.186 0.000 0.985 111 T CB -0.050 68.855 68.868 0.062 0.000 1.011 111 T HN 0.578 nan 8.240 nan 0.000 0.509 112 D N 3.180 123.724 120.400 0.241 0.000 2.451 112 D HA 0.055 4.695 4.640 -0.000 0.000 0.254 112 D C -1.669 174.689 176.300 0.096 0.000 1.204 112 D CA -1.900 52.221 54.000 0.203 0.000 0.896 112 D CB 1.272 42.234 40.800 0.269 0.000 1.136 112 D HN 0.029 nan 8.370 nan 0.000 0.499 113 P HA -0.121 nan 4.420 nan 0.000 0.221 113 P C 0.846 177.941 177.300 -0.343 0.000 1.145 113 P CA 1.323 64.196 63.100 -0.378 0.000 0.795 113 P CB 0.163 31.769 31.700 -0.158 0.000 0.775 114 A N -1.552 121.167 122.820 -0.168 0.000 2.067 114 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 114 A C 1.373 178.730 177.584 -0.379 0.000 1.158 114 A CA 1.118 52.998 52.037 -0.261 0.000 0.661 114 A CB -1.519 17.305 19.000 -0.293 0.000 0.801 114 A HN 0.153 nan 8.150 nan 0.000 0.452 115 F N -0.522 119.321 119.950 -0.179 0.000 2.664 115 F HA 0.340 4.867 4.527 -0.000 0.000 0.301 115 F C 2.025 177.747 175.800 -0.130 0.000 1.126 115 F CA 0.160 58.105 58.000 -0.091 0.000 1.373 115 F CB -0.097 38.913 39.000 0.017 0.000 1.042 115 F HN 0.219 nan 8.300 nan 0.000 0.535 116 A N 0.181 122.874 122.820 -0.213 0.000 2.248 116 A HA -0.100 4.220 4.320 -0.000 0.000 0.210 116 A C 1.083 178.629 177.584 -0.063 0.000 1.174 116 A CA 1.845 53.751 52.037 -0.217 0.000 0.750 116 A CB -0.689 18.087 19.000 -0.373 0.000 0.780 116 A HN 0.535 nan 8.150 nan 0.000 0.478 117 D N -3.222 117.144 120.400 -0.057 0.000 2.292 117 D HA 0.054 4.694 4.640 -0.000 0.000 0.322 117 D C 0.920 177.218 176.300 -0.004 0.000 1.087 117 D CA -0.097 53.880 54.000 -0.037 0.000 0.857 117 D CB -0.222 40.547 40.800 -0.051 0.000 1.445 117 D HN 0.238 nan 8.370 nan 0.000 0.528 118 K N 1.344 121.747 120.400 0.005 0.000 2.437 118 K HA 0.308 4.628 4.320 -0.000 0.000 0.198 118 K C 0.958 177.685 176.600 0.211 0.000 1.024 118 K CA -0.110 56.210 56.287 0.055 0.000 1.148 118 K CB 0.771 33.224 32.500 -0.078 0.000 0.860 118 K HN 0.163 nan 8.250 nan 0.000 0.515 119 G N 1.630 110.550 108.800 0.200 0.000 2.414 119 G HA2 0.110 4.070 3.960 -0.000 0.000 0.236 119 G HA3 0.110 4.070 3.960 -0.000 0.000 0.236 119 G C 0.123 175.322 174.900 0.499 0.000 1.293 119 G CA 0.067 45.358 45.100 0.319 0.000 0.869 119 G HN 0.232 nan 8.290 nan 0.000 0.556 120 T N -1.638 113.257 114.554 0.567 0.000 2.841 120 T HA 0.452 4.802 4.350 -0.000 0.000 0.296 120 T C 1.101 176.050 174.700 0.415 0.000 1.166 120 T CA -0.492 61.858 62.100 0.418 0.000 1.007 120 T CB 1.823 70.858 68.868 0.277 0.000 1.253 120 T HN 0.575 nan 8.240 nan 0.000 0.511 121 K N 0.093 120.610 120.400 0.196 0.000 2.360 121 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 121 K C 0.754 177.506 176.600 0.254 0.000 1.046 121 K CA 1.421 57.796 56.287 0.146 0.000 0.945 121 K CB -0.199 32.313 32.500 0.020 0.000 0.750 121 K HN 0.477 nan 8.250 nan 0.000 0.464 122 D N 0.860 121.414 120.400 0.256 0.000 2.162 122 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 122 D C 0.145 176.612 176.300 0.279 0.000 0.964 122 D CA 0.958 55.101 54.000 0.239 0.000 0.847 122 D CB 0.355 41.276 40.800 0.203 0.000 0.988 122 D HN 0.208 nan 8.370 nan 0.000 0.480 123 K N 0.041 120.621 120.400 0.299 0.000 2.571 123 K HA 0.301 4.621 4.320 -0.000 0.000 0.252 123 K C -1.735 175.016 176.600 0.251 0.000 0.956 123 K CA -0.515 55.855 56.287 0.138 0.000 0.822 123 K CB 1.200 33.688 32.500 -0.021 0.000 1.286 123 K HN -0.102 nan 8.250 nan 0.000 0.439 124 F N 0.912 120.933 119.950 0.119 0.000 2.692 124 F HA 0.548 5.075 4.527 0.000 0.000 0.320 124 F C -1.426 174.452 175.800 0.130 0.000 1.123 124 F CA -1.301 56.788 58.000 0.149 0.000 0.961 124 F CB 0.450 39.587 39.000 0.228 0.000 1.383 124 F HN 0.382 nan 8.300 nan 0.000 0.483 125 Y N 1.601 122.017 120.300 0.192 0.000 2.354 125 Y HA 0.766 5.316 4.550 -0.000 0.000 0.322 125 Y C -0.905 175.088 175.900 0.155 0.000 1.253 125 Y CA -1.868 56.296 58.100 0.105 0.000 1.272 125 Y CB 1.124 39.651 38.460 0.112 0.000 1.255 125 Y HN 0.588 nan 8.280 nan 0.000 0.500 126 I N 4.451 124.631 120.570 -0.651 0.000 2.563 126 I HA 0.110 4.280 4.170 -0.000 0.000 0.285 126 I C -0.518 175.077 176.117 -0.870 0.000 1.123 126 I CA -0.683 60.311 61.300 -0.509 0.000 1.059 126 I CB 1.849 39.758 38.000 -0.152 0.000 1.229 126 I HN 0.715 nan 8.210 nan 0.000 0.442 127 D N 4.379 124.341 120.400 -0.730 0.000 2.411 127 D HA -0.245 4.395 4.640 -0.000 0.000 0.226 127 D C 0.316 176.578 176.300 -0.064 0.000 0.988 127 D CA 0.725 54.493 54.000 -0.387 0.000 0.938 127 D CB -0.119 40.641 40.800 -0.066 0.000 0.883 127 D HN 0.329 nan 8.370 nan 0.000 0.525 128 Y N 1.826 122.015 120.300 -0.186 0.000 2.595 128 Y HA 0.228 4.778 4.550 -0.000 0.000 0.347 128 Y C 0.970 176.833 175.900 -0.061 0.000 1.025 128 Y CA -0.978 57.067 58.100 -0.092 0.000 1.295 128 Y CB 0.192 38.603 38.460 -0.083 0.000 1.147 128 Y HN -0.132 nan 8.280 nan 0.000 0.515 129 Q N 2.423 122.068 119.800 -0.259 0.000 2.439 129 Q HA -0.154 4.186 4.340 -0.000 0.000 0.211 129 Q C 0.571 176.351 176.000 -0.365 0.000 0.978 129 Q CA 1.170 56.835 55.803 -0.229 0.000 0.897 129 Q CB 0.180 28.863 28.738 -0.090 0.000 0.956 129 Q HN 0.604 nan 8.270 nan 0.000 0.483 130 N N -0.287 117.949 118.700 -0.773 0.000 2.230 130 N HA 0.017 4.757 4.740 -0.000 0.000 0.202 130 N C 1.046 176.266 175.510 -0.484 0.000 1.119 130 N CA -0.015 52.688 53.050 -0.578 0.000 0.851 130 N CB 0.342 38.514 38.487 -0.524 0.000 0.990 130 N HN 0.124 nan 8.380 nan 0.000 0.497 131 L N 0.732 121.665 121.223 -0.484 0.000 1.978 131 L HA -0.217 4.123 4.340 -0.000 0.000 0.218 131 L C 2.188 179.057 176.870 -0.002 0.000 1.075 131 L CA 1.793 56.588 54.840 -0.075 0.000 0.767 131 L CB -1.096 40.967 42.059 0.007 0.000 0.890 131 L HN 0.088 nan 8.230 nan 0.000 0.434 132 S N -0.838 114.856 115.700 -0.010 0.000 2.383 132 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 132 S C 1.933 176.608 174.600 0.125 0.000 1.030 132 S CA 1.675 59.926 58.200 0.085 0.000 1.002 132 S CB -0.366 62.891 63.200 0.094 0.000 0.829 132 S HN 0.710 nan 8.310 nan 0.000 0.467 133 K N 0.041 120.454 120.400 0.023 0.000 2.296 133 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 133 K C 1.679 178.302 176.600 0.037 0.000 1.048 133 K CA 1.047 57.338 56.287 0.007 0.000 0.966 133 K CB -0.145 32.333 32.500 -0.036 0.000 0.754 133 K HN 0.293 nan 8.250 nan 0.000 0.466 134 V N 1.594 121.544 119.914 0.059 0.000 2.599 134 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 134 V C 1.336 177.489 176.094 0.098 0.000 1.046 134 V CA 0.331 62.691 62.300 0.101 0.000 1.065 134 V CB 0.449 32.393 31.823 0.202 0.000 0.703 134 V HN 0.073 nan 8.190 nan 0.000 0.464 135 V N 0.453 120.426 119.914 0.098 0.000 3.133 135 V HA 0.336 4.456 4.120 -0.000 0.000 0.305 135 V C 0.236 176.382 176.094 0.087 0.000 1.084 135 V CA -0.132 62.206 62.300 0.063 0.000 1.089 135 V CB 1.208 33.042 31.823 0.019 0.000 1.073 135 V HN 0.412 nan 8.190 nan 0.000 0.477 136 R N 2.146 122.662 120.500 0.026 0.000 2.774 136 R HA 0.438 4.778 4.340 -0.000 0.000 0.272 136 R C -2.858 173.407 176.300 -0.058 0.000 1.000 136 R CA -1.800 54.331 56.100 0.051 0.000 0.906 136 R CB 2.478 32.804 30.300 0.044 0.000 1.227 136 R HN 0.451 nan 8.270 nan 0.000 0.468 137 P HA 0.042 nan 4.420 nan 0.000 0.271 137 P C 0.270 177.504 177.300 -0.110 0.000 1.220 137 P CA 0.622 63.655 63.100 -0.111 0.000 0.768 137 P CB 1.134 32.795 31.700 -0.066 0.000 0.848 138 G N 2.634 111.328 108.800 -0.176 0.000 2.278 138 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.210 138 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.210 138 G C 0.328 175.026 174.900 -0.336 0.000 1.000 138 G CA -0.459 44.513 45.100 -0.213 0.000 0.635 138 G HN 0.586 nan 8.290 nan 0.000 0.495 139 N N -0.363 118.183 118.700 -0.256 0.000 2.326 139 N HA 0.476 5.216 4.740 -0.000 0.000 0.239 139 N C -0.734 174.549 175.510 -0.378 0.000 1.301 139 N CA 0.414 53.334 53.050 -0.218 0.000 0.909 139 N CB 0.337 38.762 38.487 -0.103 0.000 1.156 139 N HN 0.241 nan 8.380 nan 0.000 0.462 140 Y N 0.042 120.302 120.300 -0.066 0.000 2.509 140 Y HA 0.520 5.070 4.550 -0.000 0.000 0.341 140 Y C -0.017 175.828 175.900 -0.092 0.000 1.038 140 Y CA -0.663 57.418 58.100 -0.032 0.000 1.089 140 Y CB 1.509 39.993 38.460 0.041 0.000 1.241 140 Y HN 0.214 nan 8.280 nan 0.000 0.468 141 I N 3.296 123.990 120.570 0.205 0.000 2.439 141 I HA 0.242 4.412 4.170 -0.000 0.000 0.285 141 I C -1.422 174.909 176.117 0.357 0.000 1.021 141 I CA -0.920 60.469 61.300 0.147 0.000 1.091 141 I CB 1.006 39.077 38.000 0.119 0.000 1.242 141 I HN 0.410 nan 8.210 nan 0.000 0.439 142 Y N 6.595 126.953 120.300 0.097 0.000 2.320 142 Y HA 0.587 5.137 4.550 -0.000 0.000 0.334 142 Y C 0.208 176.155 175.900 0.078 0.000 1.055 142 Y CA -1.359 56.785 58.100 0.073 0.000 1.143 142 Y CB 1.093 39.578 38.460 0.042 0.000 1.193 142 Y HN 0.313 nan 8.280 nan 0.000 0.477 143 I N 2.278 122.990 120.570 0.237 0.000 2.608 143 I HA 0.228 4.398 4.170 -0.000 0.000 0.295 143 I C -0.690 175.512 176.117 0.143 0.000 1.049 143 I CA -1.057 60.353 61.300 0.183 0.000 1.063 143 I CB 2.030 40.148 38.000 0.197 0.000 1.248 143 I HN 0.522 nan 8.210 nan 0.000 0.424 144 D N 4.441 124.921 120.400 0.133 0.000 3.026 144 D HA -0.210 4.430 4.640 -0.000 0.000 0.248 144 D C 0.201 176.547 176.300 0.077 0.000 1.100 144 D CA 1.084 55.160 54.000 0.127 0.000 0.855 144 D CB -0.757 40.171 40.800 0.214 0.000 1.011 144 D HN 0.833 nan 8.370 nan 0.000 0.423 145 D N 0.392 120.841 120.400 0.082 0.000 2.983 145 D HA -0.184 4.456 4.640 -0.000 0.000 0.225 145 D C 1.153 177.471 176.300 0.031 0.000 1.174 145 D CA 3.096 57.136 54.000 0.066 0.000 0.831 145 D CB -1.162 39.670 40.800 0.053 0.000 1.104 145 D HN 1.456 nan 8.370 nan 0.000 0.421 146 G N -1.506 107.317 108.800 0.040 0.000 2.159 146 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.256 146 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.256 146 G C 1.199 175.956 174.900 -0.237 0.000 0.977 146 G CA 0.400 45.465 45.100 -0.058 0.000 0.652 146 G HN 0.559 nan 8.290 nan 0.000 0.531 147 I N -0.589 119.859 120.570 -0.203 0.000 2.233 147 I HA 0.070 4.240 4.170 -0.000 0.000 0.243 147 I C 1.508 177.417 176.117 -0.347 0.000 1.093 147 I CA 0.658 61.748 61.300 -0.350 0.000 1.380 147 I CB -0.143 37.514 38.000 -0.571 0.000 1.067 147 I HN 0.265 nan 8.210 nan 0.000 0.413 148 L N 2.244 123.351 121.223 -0.192 0.000 2.290 148 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 148 L C -0.504 176.377 176.870 0.019 0.000 1.078 148 L CA 0.227 55.063 54.840 -0.008 0.000 0.815 148 L CB 0.411 42.593 42.059 0.203 0.000 1.162 148 L HN -0.018 nan 8.230 nan 0.000 0.435 149 I N 6.586 127.169 120.570 0.021 0.000 2.389 149 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 149 I C -0.692 175.551 176.117 0.209 0.000 0.999 149 I CA -0.444 60.926 61.300 0.117 0.000 1.129 149 I CB 1.373 39.361 38.000 -0.019 0.000 1.288 149 I HN 0.504 nan 8.210 nan 0.000 0.444 150 L N 5.912 127.305 121.223 0.282 0.000 2.333 150 L HA 0.560 4.900 4.340 -0.000 0.000 0.269 150 L C -0.441 176.536 176.870 0.179 0.000 1.010 150 L CA -0.637 54.321 54.840 0.196 0.000 0.818 150 L CB 2.024 44.178 42.059 0.159 0.000 1.306 150 L HN 0.552 nan 8.230 nan 0.000 0.430 151 Q N 1.472 121.289 119.800 0.028 0.000 2.325 151 Q HA 0.432 4.772 4.340 -0.000 0.000 0.270 151 Q C -1.293 174.597 176.000 -0.184 0.000 1.020 151 Q CA -0.701 54.993 55.803 -0.181 0.000 0.785 151 Q CB 2.406 30.974 28.738 -0.283 0.000 1.259 151 Q HN 0.455 nan 8.270 nan 0.000 0.452 152 V N 4.243 124.027 119.914 -0.217 0.000 2.740 152 V HA -0.049 4.071 4.120 -0.000 0.000 0.303 152 V C 0.673 176.648 176.094 -0.198 0.000 1.054 152 V CA 0.722 62.901 62.300 -0.202 0.000 1.106 152 V CB 1.177 32.876 31.823 -0.207 0.000 0.957 152 V HN 0.944 nan 8.190 nan 0.000 0.486 153 Q N 2.048 121.742 119.800 -0.176 0.000 2.384 153 Q HA 0.247 4.587 4.340 -0.000 0.000 0.264 153 Q C 0.311 176.244 176.000 -0.111 0.000 0.825 153 Q CA 0.534 56.258 55.803 -0.132 0.000 0.984 153 Q CB 1.408 30.081 28.738 -0.108 0.000 1.183 153 Q HN 0.913 nan 8.270 nan 0.000 0.537 154 S N -0.608 115.007 115.700 -0.142 0.000 2.615 154 S HA 0.346 4.816 4.470 -0.000 0.000 0.268 154 S C -1.414 173.082 174.600 -0.173 0.000 1.146 154 S CA -0.997 57.143 58.200 -0.099 0.000 0.818 154 S CB 1.139 64.337 63.200 -0.002 0.000 1.111 154 S HN 0.143 nan 8.310 nan 0.000 0.465 155 H N 1.115 120.183 119.070 -0.002 0.000 2.552 155 H HA 0.392 4.948 4.556 -0.000 0.000 0.311 155 H C 0.430 175.765 175.328 0.012 0.000 1.071 155 H CA -0.447 55.601 56.048 -0.000 0.000 1.307 155 H CB 1.411 31.166 29.762 -0.011 0.000 1.416 155 H HN 0.673 nan 8.280 nan 0.000 0.464 156 E N 2.140 122.406 120.200 0.109 0.000 2.158 156 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 156 E C -0.063 176.561 176.600 0.040 0.000 0.982 156 E CA 1.027 57.467 56.400 0.066 0.000 0.823 156 E CB 0.450 30.171 29.700 0.035 0.000 0.766 156 E HN 0.813 nan 8.360 nan 0.000 0.468 157 D N -2.731 117.703 120.400 0.056 0.000 2.827 157 D HA 0.043 4.683 4.640 -0.000 0.000 0.336 157 D C 0.015 176.339 176.300 0.041 0.000 1.374 157 D CA -0.540 53.478 54.000 0.030 0.000 0.794 157 D CB 0.008 40.808 40.800 -0.000 0.000 1.364 157 D HN -0.386 nan 8.370 nan 0.000 0.464 158 E N -0.771 119.435 120.200 0.011 0.000 2.396 158 E HA -0.096 4.254 4.350 -0.000 0.000 0.200 158 E C 0.967 177.576 176.600 0.014 0.000 1.023 158 E CA 1.415 57.818 56.400 0.004 0.000 0.857 158 E CB -0.066 29.625 29.700 -0.015 0.000 0.775 158 E HN 0.438 nan 8.360 nan 0.000 0.525 159 Q N -1.457 118.353 119.800 0.016 0.000 2.288 159 Q HA 0.177 4.517 4.340 -0.000 0.000 0.256 159 Q C -0.158 175.840 176.000 -0.003 0.000 0.835 159 Q CA 0.337 56.146 55.803 0.011 0.000 0.958 159 Q CB 1.309 30.058 28.738 0.019 0.000 1.125 159 Q HN 0.034 nan 8.270 nan 0.000 0.513 160 T N 0.984 115.535 114.554 -0.005 0.000 2.885 160 T HA 0.622 4.972 4.350 -0.000 0.000 0.285 160 T C -0.697 174.009 174.700 0.010 0.000 1.019 160 T CA -0.435 61.650 62.100 -0.024 0.000 1.010 160 T CB 1.543 70.374 68.868 -0.061 0.000 1.022 160 T HN -0.008 nan 8.240 nan 0.000 0.466 161 L N 1.741 122.950 121.223 -0.023 0.000 2.381 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.268 161 L C 0.098 176.932 176.870 -0.059 0.000 0.997 161 L CA -0.850 53.943 54.840 -0.079 0.000 0.818 161 L CB 2.176 44.141 42.059 -0.156 0.000 1.310 161 L HN 0.623 nan 8.230 nan 0.000 0.416 162 E N 2.070 122.219 120.200 -0.085 0.000 2.167 162 E HA 0.426 4.776 4.350 -0.000 0.000 0.284 162 E C -1.472 174.977 176.600 -0.252 0.000 1.016 162 E CA -0.485 55.781 56.400 -0.223 0.000 0.817 162 E CB 1.090 30.746 29.700 -0.074 0.000 1.080 162 E HN 0.594 nan 8.360 nan 0.000 0.397 163 C N 2.741 121.852 119.300 -0.314 0.000 2.779 163 C HA 0.572 5.032 4.460 -0.000 0.000 0.314 163 C C -0.209 174.681 174.990 -0.167 0.000 1.231 163 C CA -0.712 58.188 59.018 -0.197 0.000 1.652 163 C CB 1.840 29.499 27.740 -0.135 0.000 2.198 163 C HN 0.687 nan 8.230 nan 0.000 0.483 164 T N 1.363 115.861 114.554 -0.094 0.000 2.797 164 T HA 0.428 4.778 4.350 -0.000 0.000 0.279 164 T C -0.328 174.373 174.700 0.002 0.000 0.991 164 T CA -0.271 61.797 62.100 -0.053 0.000 0.979 164 T CB 1.198 70.043 68.868 -0.038 0.000 0.943 164 T HN 0.444 nan 8.240 nan 0.000 0.444 165 V N 4.454 124.377 119.914 0.015 0.000 2.387 165 V HA 0.119 4.239 4.120 -0.000 0.000 0.260 165 V C 1.884 178.008 176.094 0.049 0.000 1.054 165 V CA -0.019 62.311 62.300 0.049 0.000 0.967 165 V CB 0.191 32.040 31.823 0.044 0.000 1.036 165 V HN 1.180 nan 8.190 nan 0.000 0.481 166 T N 0.859 115.457 114.554 0.074 0.000 3.055 166 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 166 T C 0.626 175.350 174.700 0.041 0.000 1.111 166 T CA 0.467 62.610 62.100 0.071 0.000 1.118 166 T CB -0.208 68.734 68.868 0.124 0.000 0.909 166 T HN 0.736 nan 8.240 nan 0.000 0.501 167 N N -0.075 118.646 118.700 0.036 0.000 2.367 167 N HA 0.170 4.910 4.740 -0.000 0.000 0.278 167 N C -1.802 173.731 175.510 0.038 0.000 1.117 167 N CA -0.642 52.419 53.050 0.020 0.000 0.867 167 N CB 1.713 40.193 38.487 -0.011 0.000 1.649 167 N HN -0.026 nan 8.380 nan 0.000 0.479 168 S N 0.853 116.573 115.700 0.033 0.000 2.531 168 S HA 0.221 4.691 4.470 -0.000 0.000 0.279 168 S C -0.635 174.027 174.600 0.104 0.000 1.305 168 S CA 0.206 58.431 58.200 0.043 0.000 1.058 168 S CB -0.429 62.783 63.200 0.021 0.000 0.899 168 S HN 0.741 nan 8.310 nan 0.000 0.493 169 H N 0.732 119.776 119.070 -0.043 0.000 3.139 169 H HA 0.276 4.832 4.556 -0.000 0.000 0.325 169 H C -1.208 174.072 175.328 -0.080 0.000 1.146 169 H CA -0.327 55.689 56.048 -0.054 0.000 1.351 169 H CB 0.589 30.322 29.762 -0.048 0.000 2.005 169 H HN 0.490 nan 8.280 nan 0.000 0.517 170 T N 6.302 120.480 114.554 -0.627 0.000 2.771 170 T HA 0.491 4.841 4.350 -0.000 0.000 0.291 170 T C 0.278 174.546 174.700 -0.720 0.000 0.954 170 T CA -0.498 61.279 62.100 -0.539 0.000 1.045 170 T CB -0.090 68.585 68.868 -0.321 0.000 0.917 170 T HN 0.492 nan 8.240 nan 0.000 0.484 171 I N 0.489 120.746 120.570 -0.523 0.000 2.509 171 I HA 0.756 4.926 4.170 -0.000 0.000 0.293 171 I C 0.358 176.284 176.117 -0.318 0.000 1.020 171 I CA -0.906 60.171 61.300 -0.372 0.000 1.088 171 I CB 2.074 39.916 38.000 -0.263 0.000 1.267 171 I HN 0.604 nan 8.210 nan 0.000 0.430 172 S N 3.060 118.702 115.700 -0.097 0.000 2.647 172 S HA 0.400 4.870 4.470 -0.000 0.000 0.284 172 S C -0.055 174.697 174.600 0.254 0.000 1.134 172 S CA -0.645 57.572 58.200 0.029 0.000 1.027 172 S CB 0.626 63.841 63.200 0.025 0.000 1.180 172 S HN 0.680 nan 8.310 nan 0.000 0.521 173 D N 0.936 121.482 120.400 0.243 0.000 2.390 173 D HA 0.123 4.763 4.640 -0.000 0.000 0.236 173 D C 0.073 176.451 176.300 0.129 0.000 1.189 173 D CA 0.397 54.517 54.000 0.199 0.000 0.887 173 D CB -0.098 40.770 40.800 0.114 0.000 1.198 173 D HN 0.522 nan 8.370 nan 0.000 0.444 174 R N 0.904 121.444 120.500 0.066 0.000 2.247 174 R HA -0.258 4.082 4.340 -0.000 0.000 0.214 174 R C -0.094 176.253 176.300 0.078 0.000 0.709 174 R CA 0.612 56.746 56.100 0.057 0.000 0.482 174 R CB -1.341 28.990 30.300 0.051 0.000 1.360 174 R HN 0.210 nan 8.270 nan 0.000 0.542 175 R N 0.306 120.865 120.500 0.098 0.000 2.540 175 R HA 0.324 4.664 4.340 -0.000 0.000 0.287 175 R C 0.797 177.149 176.300 0.086 0.000 0.980 175 R CA -0.249 55.911 56.100 0.099 0.000 0.966 175 R CB 1.386 31.756 30.300 0.116 0.000 1.106 175 R HN 0.387 nan 8.270 nan 0.000 0.480 176 G N 0.820 109.667 108.800 0.078 0.000 2.441 176 G HA2 0.305 4.265 3.960 -0.000 0.000 0.243 176 G HA3 0.305 4.265 3.960 -0.000 0.000 0.243 176 G C -0.360 174.584 174.900 0.073 0.000 1.281 176 G CA -0.322 44.811 45.100 0.056 0.000 0.854 176 G HN 0.386 nan 8.290 nan 0.000 0.560 177 V N 1.224 121.165 119.914 0.044 0.000 2.769 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 177 V C -0.768 175.338 176.094 0.020 0.000 1.061 177 V CA -1.359 60.982 62.300 0.069 0.000 0.931 177 V CB 2.116 33.988 31.823 0.082 0.000 1.010 177 V HN 0.725 nan 8.190 nan 0.000 0.433 178 N N 4.243 122.975 118.700 0.054 0.000 2.238 178 N HA 0.568 5.308 4.740 -0.000 0.000 0.302 178 N C -1.662 173.790 175.510 -0.096 0.000 1.072 178 N CA -0.405 52.638 53.050 -0.011 0.000 0.792 178 N CB 2.253 40.779 38.487 0.066 0.000 1.425 178 N HN 0.534 nan 8.380 nan 0.000 0.478 179 L N 3.378 124.534 121.223 -0.112 0.000 2.435 179 L HA 0.366 4.706 4.340 -0.000 0.000 0.253 179 L C -1.572 175.228 176.870 -0.116 0.000 1.087 179 L CA -1.766 53.005 54.840 -0.115 0.000 0.950 179 L CB 1.054 43.083 42.059 -0.050 0.000 1.304 179 L HN 0.326 nan 8.230 nan 0.000 0.453 180 P HA -0.204 nan 4.420 nan 0.000 0.222 180 P C 0.989 178.064 177.300 -0.376 0.000 1.157 180 P CA 1.576 64.485 63.100 -0.319 0.000 0.905 180 P CB 0.360 31.770 31.700 -0.483 0.000 0.792 181 G N -3.036 105.610 108.800 -0.256 0.000 4.331 181 G HA2 0.319 4.279 3.960 -0.000 0.000 0.299 181 G HA3 0.319 4.279 3.960 -0.000 0.000 0.299 181 G C -0.659 174.199 174.900 -0.070 0.000 1.158 181 G CA -0.034 44.892 45.100 -0.290 0.000 0.916 181 G HN 0.235 nan 8.290 nan 0.000 0.553 182 C N 0.450 119.793 119.300 0.073 0.000 2.498 182 C HA 0.467 4.927 4.460 -0.000 0.000 0.316 182 C C -0.887 174.216 174.990 0.188 0.000 1.209 182 C CA -1.233 57.864 59.018 0.130 0.000 1.518 182 C CB 1.717 29.501 27.740 0.073 0.000 2.147 182 C HN 0.403 nan 8.230 nan 0.000 0.483 183 D N 2.139 122.616 120.400 0.127 0.000 2.336 183 D HA 0.317 4.957 4.640 -0.000 0.000 0.249 183 D C -0.220 176.105 176.300 0.041 0.000 1.213 183 D CA 0.209 54.242 54.000 0.054 0.000 0.870 183 D CB 0.934 41.765 40.800 0.052 0.000 1.076 183 D HN 0.242 nan 8.370 nan 0.000 0.483 184 V N 3.492 123.390 119.914 -0.026 0.000 2.383 184 V HA 0.084 4.204 4.120 -0.000 0.000 0.275 184 V C 0.568 176.652 176.094 -0.017 0.000 1.036 184 V CA -0.621 61.642 62.300 -0.062 0.000 0.889 184 V CB 1.420 33.074 31.823 -0.281 0.000 0.985 184 V HN 0.400 nan 8.190 nan 0.000 0.459 185 D N 4.499 124.956 120.400 0.096 0.000 2.413 185 D HA 0.142 4.782 4.640 -0.000 0.000 0.237 185 D C 0.461 176.816 176.300 0.092 0.000 1.171 185 D CA 0.070 54.124 54.000 0.089 0.000 0.839 185 D CB 0.275 41.141 40.800 0.110 0.000 0.950 185 D HN 0.377 nan 8.370 nan 0.000 0.499 186 L N 2.353 123.594 121.223 0.031 0.000 2.485 186 L HA 0.106 4.446 4.340 -0.000 0.000 0.275 186 L C -1.538 175.347 176.870 0.025 0.000 1.207 186 L CA -1.268 53.587 54.840 0.025 0.000 0.855 186 L CB 0.105 42.111 42.059 -0.088 0.000 1.114 186 L HN -0.136 nan 8.230 nan 0.000 0.485 187 P HA -0.002 nan 4.420 nan 0.000 0.268 187 P C 0.014 177.334 177.300 0.033 0.000 1.204 187 P CA -0.138 62.984 63.100 0.036 0.000 0.768 187 P CB 1.173 32.897 31.700 0.041 0.000 0.842 188 A N 4.489 127.330 122.820 0.035 0.000 1.841 188 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 188 A C 1.173 178.787 177.584 0.050 0.000 1.199 188 A CA 1.678 53.740 52.037 0.042 0.000 0.621 188 A CB -0.986 18.035 19.000 0.034 0.000 0.835 188 A HN 0.495 nan 8.150 nan 0.000 0.445 189 V N 1.739 121.678 119.914 0.042 0.000 2.334 189 V HA 0.466 4.586 4.120 -0.000 0.000 0.267 189 V C 0.587 176.709 176.094 0.047 0.000 1.040 189 V CA -0.222 62.105 62.300 0.045 0.000 0.866 189 V CB 0.160 32.005 31.823 0.036 0.000 1.019 189 V HN 0.736 nan 8.190 nan 0.000 0.468 190 S N 6.046 121.778 115.700 0.054 0.000 2.617 190 S HA 0.438 4.908 4.470 -0.000 0.000 0.255 190 S C 1.556 176.187 174.600 0.053 0.000 1.318 190 S CA 0.188 58.418 58.200 0.051 0.000 0.978 190 S CB 1.274 64.507 63.200 0.054 0.000 0.961 190 S HN 1.455 nan 8.310 nan 0.000 0.582 191 A N 0.648 123.498 122.820 0.050 0.000 1.930 191 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 191 A C 2.213 179.833 177.584 0.061 0.000 1.175 191 A CA 1.599 53.666 52.037 0.049 0.000 0.627 191 A CB -0.863 18.162 19.000 0.041 0.000 0.815 191 A HN 0.899 nan 8.150 nan 0.000 0.443 192 K N -0.501 119.939 120.400 0.067 0.000 2.097 192 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 192 K C 1.154 177.826 176.600 0.120 0.000 1.050 192 K CA 1.534 57.873 56.287 0.088 0.000 0.938 192 K CB -0.169 32.381 32.500 0.084 0.000 0.718 192 K HN 0.361 nan 8.250 nan 0.000 0.442 193 D N 0.344 120.803 120.400 0.099 0.000 2.117 193 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 193 D C 1.952 178.299 176.300 0.078 0.000 0.987 193 D CA 0.896 54.949 54.000 0.088 0.000 0.829 193 D CB -0.136 40.705 40.800 0.068 0.000 0.961 193 D HN 0.067 nan 8.370 nan 0.000 0.460 194 R N 0.735 121.279 120.500 0.073 0.000 2.103 194 R HA -0.116 4.224 4.340 -0.000 0.000 0.242 194 R C 2.074 178.428 176.300 0.091 0.000 1.142 194 R CA 1.013 57.152 56.100 0.066 0.000 0.960 194 R CB -0.706 29.628 30.300 0.058 0.000 0.858 194 R HN 0.075 nan 8.270 nan 0.000 0.439 195 V N 0.719 120.706 119.914 0.123 0.000 2.323 195 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 195 V C 1.614 177.877 176.094 0.282 0.000 1.041 195 V CA 2.126 64.535 62.300 0.182 0.000 1.025 195 V CB -0.534 31.384 31.823 0.157 0.000 0.656 195 V HN 0.307 nan 8.190 nan 0.000 0.451 196 D N 0.276 120.843 120.400 0.278 0.000 2.144 196 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 196 D C 2.130 178.470 176.300 0.066 0.000 0.984 196 D CA 1.130 55.282 54.000 0.253 0.000 0.834 196 D CB -0.240 40.716 40.800 0.259 0.000 0.955 196 D HN 0.328 nan 8.370 nan 0.000 0.465 197 L N 0.316 121.556 121.223 0.028 0.000 2.093 197 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 197 L C 2.449 179.317 176.870 -0.002 0.000 1.085 197 L CA 0.821 55.642 54.840 -0.033 0.000 0.755 197 L CB -0.285 41.761 42.059 -0.021 0.000 0.904 197 L HN -0.006 nan 8.230 nan 0.000 0.435 198 Q N -0.345 119.495 119.800 0.066 0.000 2.230 198 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 198 Q C 2.061 178.115 176.000 0.090 0.000 0.963 198 Q CA 1.391 57.234 55.803 0.068 0.000 0.866 198 Q CB -0.096 28.698 28.738 0.094 0.000 0.931 198 Q HN 0.438 nan 8.270 nan 0.000 0.452 199 F N 0.125 120.060 119.950 -0.025 0.000 2.146 199 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 199 F C 1.960 177.697 175.800 -0.106 0.000 1.096 199 F CA 1.766 59.729 58.000 -0.063 0.000 1.275 199 F CB -0.626 38.241 39.000 -0.222 0.000 1.008 199 F HN 0.064 nan 8.300 nan 0.000 0.480 200 G N 0.282 108.958 108.800 -0.206 0.000 2.440 200 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 200 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 200 G C 1.731 176.463 174.900 -0.279 0.000 1.154 200 G CA 1.333 46.231 45.100 -0.338 0.000 0.767 200 G HN 0.353 nan 8.290 nan 0.000 0.552 201 V N 0.776 120.585 119.914 -0.175 0.000 2.343 201 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 201 V C 2.653 178.661 176.094 -0.144 0.000 1.051 201 V CA 2.255 64.476 62.300 -0.131 0.000 1.036 201 V CB -0.582 31.198 31.823 -0.073 0.000 0.654 201 V HN 0.474 nan 8.190 nan 0.000 0.451 202 E N -0.284 119.823 120.200 -0.155 0.000 2.110 202 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 202 E C 2.154 178.628 176.600 -0.210 0.000 0.988 202 E CA 0.985 57.300 56.400 -0.142 0.000 0.804 202 E CB -0.104 29.546 29.700 -0.083 0.000 0.745 202 E HN 0.515 nan 8.360 nan 0.000 0.458 203 Q N -0.647 118.935 119.800 -0.362 0.000 2.403 203 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 203 Q C 0.837 176.692 176.000 -0.241 0.000 0.932 203 Q CA 0.710 56.298 55.803 -0.357 0.000 0.945 203 Q CB 0.933 29.309 28.738 -0.603 0.000 1.045 203 Q HN 0.374 nan 8.270 nan 0.000 0.511 204 G N 1.591 110.268 108.800 -0.206 0.000 2.272 204 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 204 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 204 G C 0.376 175.182 174.900 -0.157 0.000 1.067 204 G CA 0.345 45.352 45.100 -0.155 0.000 0.902 204 G HN 0.332 nan 8.290 nan 0.000 0.500 205 V N -2.969 116.832 119.914 -0.188 0.000 3.096 205 V HA 0.435 4.555 4.120 -0.000 0.000 0.306 205 V C 1.190 177.195 176.094 -0.148 0.000 1.088 205 V CA 0.577 62.768 62.300 -0.182 0.000 1.129 205 V CB 1.090 32.774 31.823 -0.231 0.000 1.014 205 V HN 0.184 nan 8.190 nan 0.000 0.486 206 D N 2.298 122.616 120.400 -0.137 0.000 2.240 206 D HA 0.144 4.784 4.640 -0.000 0.000 0.206 206 D C 0.700 176.945 176.300 -0.092 0.000 0.963 206 D CA 1.502 55.441 54.000 -0.102 0.000 0.863 206 D CB 0.371 41.122 40.800 -0.083 0.000 0.973 206 D HN 0.813 nan 8.370 nan 0.000 0.501 207 M N -0.693 118.828 119.600 -0.132 0.000 2.603 207 M HA 0.415 4.895 4.480 -0.000 0.000 0.275 207 M C -1.934 174.256 176.300 -0.184 0.000 1.226 207 M CA -0.884 54.358 55.300 -0.097 0.000 0.870 207 M CB 2.730 35.331 32.600 0.001 0.000 1.716 207 M HN -0.403 nan 8.290 nan 0.000 0.482 208 I N 2.298 122.822 120.570 -0.076 0.000 2.433 208 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 208 I C -1.280 174.939 176.117 0.170 0.000 1.001 208 I CA -0.501 60.749 61.300 -0.083 0.000 1.119 208 I CB 1.534 39.500 38.000 -0.058 0.000 1.289 208 I HN 0.597 nan 8.210 nan 0.000 0.438 209 F N 4.445 124.344 119.950 -0.086 0.000 2.309 209 F HA 0.430 4.957 4.527 -0.000 0.000 0.366 209 F C 0.893 176.646 175.800 -0.077 0.000 1.104 209 F CA -1.577 56.379 58.000 -0.073 0.000 1.179 209 F CB 0.465 39.426 39.000 -0.066 0.000 1.437 209 F HN 0.459 nan 8.300 nan 0.000 0.528 210 A N 2.440 125.325 122.820 0.108 0.000 2.438 210 A HA 0.375 4.695 4.320 -0.000 0.000 0.280 210 A C 0.693 178.274 177.584 -0.004 0.000 1.160 210 A CA -0.026 52.035 52.037 0.039 0.000 0.821 210 A CB -0.160 18.856 19.000 0.027 0.000 1.101 210 A HN 0.524 nan 8.150 nan 0.000 0.515 211 S N 1.639 117.334 115.700 -0.007 0.000 2.564 211 S HA 0.417 4.887 4.470 -0.000 0.000 0.278 211 S C -0.035 174.569 174.600 0.008 0.000 1.333 211 S CA -0.068 58.059 58.200 -0.121 0.000 1.048 211 S CB -0.309 62.851 63.200 -0.067 0.000 0.900 211 S HN 0.753 nan 8.310 nan 0.000 0.505 212 F N 0.171 120.120 119.950 -0.002 0.000 3.027 212 F HA -0.165 4.362 4.527 -0.000 0.000 0.276 212 F C 0.162 175.945 175.800 -0.029 0.000 0.967 212 F CA -0.221 57.768 58.000 -0.020 0.000 0.929 212 F CB -1.639 37.346 39.000 -0.024 0.000 0.873 212 F HN 0.378 nan 8.300 nan 0.000 0.787 213 I N 1.449 122.057 120.570 0.063 0.000 2.517 213 I HA 0.055 4.225 4.170 -0.000 0.000 0.285 213 I C 1.400 177.529 176.117 0.020 0.000 1.106 213 I CA 0.428 61.749 61.300 0.036 0.000 1.402 213 I CB 0.950 38.952 38.000 0.003 0.000 1.399 213 I HN 0.386 nan 8.210 nan 0.000 0.535 214 R N 3.249 123.756 120.500 0.012 0.000 2.446 214 R HA 0.195 4.535 4.340 -0.000 0.000 0.254 214 R C 0.391 176.675 176.300 -0.027 0.000 0.918 214 R CA -0.018 56.068 56.100 -0.022 0.000 1.069 214 R CB 0.733 31.009 30.300 -0.040 0.000 1.194 214 R HN 0.640 nan 8.270 nan 0.000 0.534 215 S N -1.103 114.590 115.700 -0.012 0.000 2.588 215 S HA 0.528 4.998 4.470 -0.000 0.000 0.269 215 S C 0.208 174.805 174.600 -0.005 0.000 1.157 215 S CA -0.193 58.001 58.200 -0.011 0.000 0.824 215 S CB 1.696 64.891 63.200 -0.007 0.000 1.126 215 S HN 0.045 nan 8.310 nan 0.000 0.464 216 A N 1.922 124.739 122.820 -0.005 0.000 1.858 216 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 216 A C 1.663 179.247 177.584 0.000 0.000 1.190 216 A CA 1.959 53.993 52.037 -0.004 0.000 0.617 216 A CB -1.302 17.695 19.000 -0.005 0.000 0.827 216 A HN 0.946 nan 8.150 nan 0.000 0.443 217 E N -0.159 120.042 120.200 0.002 0.000 2.219 217 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 217 E C 2.198 178.803 176.600 0.008 0.000 0.998 217 E CA 1.399 57.801 56.400 0.005 0.000 0.818 217 E CB -0.225 29.478 29.700 0.006 0.000 0.741 217 E HN 0.717 nan 8.360 nan 0.000 0.477 218 Q N 0.130 119.935 119.800 0.008 0.000 2.124 218 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 218 Q C 2.399 178.407 176.000 0.013 0.000 0.977 218 Q CA 1.273 57.084 55.803 0.014 0.000 0.850 218 Q CB 0.001 28.749 28.738 0.017 0.000 0.901 218 Q HN 0.229 nan 8.270 nan 0.000 0.429 219 V N 0.532 120.451 119.914 0.008 0.000 2.343 219 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 219 V C 2.296 178.394 176.094 0.006 0.000 1.051 219 V CA 1.926 64.230 62.300 0.006 0.000 1.036 219 V CB -1.208 30.616 31.823 0.002 0.000 0.654 219 V HN 0.489 nan 8.190 nan 0.000 0.451 220 G N -0.191 108.612 108.800 0.006 0.000 2.422 220 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 220 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 220 G C 1.206 176.111 174.900 0.008 0.000 1.146 220 G CA 1.012 46.115 45.100 0.005 0.000 0.769 220 G HN 0.509 nan 8.290 nan 0.000 0.547 221 D N 0.195 120.602 120.400 0.011 0.000 2.178 221 D HA -0.066 4.574 4.640 -0.000 0.000 0.202 221 D C 2.720 179.027 176.300 0.013 0.000 0.974 221 D CA 0.530 54.538 54.000 0.014 0.000 0.841 221 D CB -0.231 40.579 40.800 0.018 0.000 0.953 221 D HN 0.238 nan 8.370 nan 0.000 0.478 222 V N 0.753 120.674 119.914 0.011 0.000 2.548 222 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 222 V C 2.427 178.522 176.094 0.001 0.000 1.055 222 V CA 1.272 63.577 62.300 0.008 0.000 1.065 222 V CB -0.320 31.508 31.823 0.008 0.000 0.681 222 V HN 0.092 nan 8.190 nan 0.000 0.462 223 R N 0.104 120.605 120.500 0.002 0.000 2.092 223 R HA -0.090 4.250 4.340 -0.000 0.000 0.231 223 R C 2.398 178.698 176.300 -0.000 0.000 1.119 223 R CA 1.208 57.307 56.100 -0.002 0.000 0.970 223 R CB -0.211 30.088 30.300 -0.001 0.000 0.864 223 R HN 0.477 nan 8.270 nan 0.000 0.440 224 K N 0.012 120.414 120.400 0.004 0.000 2.148 224 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 224 K C 1.981 178.586 176.600 0.008 0.000 1.050 224 K CA 1.221 57.512 56.287 0.006 0.000 0.942 224 K CB 0.000 32.505 32.500 0.009 0.000 0.724 224 K HN 0.133 nan 8.250 nan 0.000 0.446 225 A N 1.014 123.839 122.820 0.008 0.000 1.968 225 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 225 A C 1.979 179.566 177.584 0.005 0.000 1.169 225 A CA 0.929 52.973 52.037 0.011 0.000 0.638 225 A CB -0.325 18.684 19.000 0.014 0.000 0.812 225 A HN 0.138 nan 8.150 nan 0.000 0.446 226 L N -1.234 119.986 121.223 -0.005 0.000 2.240 226 L HA 0.196 4.536 4.340 -0.000 0.000 0.211 226 L C 1.557 178.420 176.870 -0.011 0.000 1.106 226 L CA 0.460 55.291 54.840 -0.016 0.000 0.793 226 L CB -0.850 41.194 42.059 -0.026 0.000 0.927 226 L HN 0.619 nan 8.230 nan 0.000 0.446 227 G N 0.335 109.132 108.800 -0.005 0.000 2.750 227 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.228 227 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.228 227 G C -1.844 173.052 174.900 -0.006 0.000 1.367 227 G CA -0.166 44.933 45.100 -0.002 0.000 0.871 227 G HN 0.120 nan 8.290 nan 0.000 0.560 228 P HA -0.021 nan 4.420 nan 0.000 0.219 228 P C 1.310 178.603 177.300 -0.010 0.000 1.150 228 P CA 1.521 64.617 63.100 -0.006 0.000 0.814 228 P CB 0.015 31.713 31.700 -0.003 0.000 0.787 229 K N -0.462 119.930 120.400 -0.013 0.000 2.486 229 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 229 K C 1.636 178.220 176.600 -0.028 0.000 1.033 229 K CA 0.908 57.184 56.287 -0.019 0.000 1.004 229 K CB -0.205 32.284 32.500 -0.019 0.000 0.798 229 K HN 0.174 nan 8.250 nan 0.000 0.495 230 G N 1.504 110.288 108.800 -0.027 0.000 3.993 230 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.294 230 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.294 230 G C 0.869 175.751 174.900 -0.029 0.000 1.043 230 G CA -0.492 44.586 45.100 -0.036 0.000 0.839 230 G HN 0.208 nan 8.290 nan 0.000 0.516 231 R N -0.562 119.926 120.500 -0.021 0.000 2.237 231 R HA 0.051 4.391 4.340 -0.000 0.000 0.219 231 R C 0.402 176.692 176.300 -0.016 0.000 1.080 231 R CA 1.131 57.221 56.100 -0.015 0.000 0.995 231 R CB 0.042 30.336 30.300 -0.010 0.000 0.875 231 R HN 0.006 nan 8.270 nan 0.000 0.462 232 D N 0.783 121.171 120.400 -0.021 0.000 2.349 232 D HA 0.189 4.829 4.640 -0.000 0.000 0.214 232 D C 0.381 176.665 176.300 -0.026 0.000 1.063 232 D CA 0.133 54.121 54.000 -0.020 0.000 0.847 232 D CB 0.303 41.091 40.800 -0.020 0.000 0.933 232 D HN 0.240 nan 8.370 nan 0.000 0.513 233 I N 1.322 121.871 120.570 -0.034 0.000 2.474 233 I HA 0.092 4.262 4.170 -0.000 0.000 0.287 233 I C 0.766 176.867 176.117 -0.026 0.000 1.048 233 I CA -0.259 61.015 61.300 -0.043 0.000 1.383 233 I CB 0.911 38.873 38.000 -0.063 0.000 1.412 233 I HN -0.349 nan 8.210 nan 0.000 0.531 234 M N 6.449 126.039 119.600 -0.017 0.000 2.235 234 M HA 0.387 4.867 4.480 -0.000 0.000 0.351 234 M C -0.490 175.821 176.300 0.018 0.000 1.178 234 M CA -0.035 55.268 55.300 0.006 0.000 1.143 234 M CB 1.033 33.646 32.600 0.023 0.000 1.530 234 M HN 0.391 nan 8.290 nan 0.000 0.461 235 I N 4.361 124.945 120.570 0.023 0.000 2.359 235 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 235 I C -0.663 175.480 176.117 0.043 0.000 1.018 235 I CA -0.601 60.719 61.300 0.032 0.000 1.173 235 I CB 0.852 38.860 38.000 0.013 0.000 1.326 235 I HN 0.457 nan 8.210 nan 0.000 0.462 236 I N 5.607 126.231 120.570 0.090 0.000 2.304 236 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 236 I C 0.167 176.283 176.117 -0.001 0.000 1.018 236 I CA -0.491 60.832 61.300 0.038 0.000 1.260 236 I CB 0.950 38.976 38.000 0.043 0.000 1.390 236 I HN 0.522 nan 8.210 nan 0.000 0.475 237 C N 6.660 125.939 119.300 -0.036 0.000 2.482 237 C HA 0.227 4.687 4.460 -0.000 0.000 0.378 237 C C 0.978 175.912 174.990 -0.092 0.000 1.284 237 C CA -0.909 58.081 59.018 -0.046 0.000 1.826 237 C CB -0.639 27.081 27.740 -0.033 0.000 2.473 237 C HN 0.587 nan 8.230 nan 0.000 0.562 238 K N 3.662 123.998 120.400 -0.107 0.000 2.316 238 K HA 0.349 4.669 4.320 -0.000 0.000 0.289 238 K C -0.275 176.241 176.600 -0.139 0.000 1.070 238 K CA -0.114 56.077 56.287 -0.160 0.000 0.928 238 K CB 0.438 32.812 32.500 -0.209 0.000 1.039 238 K HN 0.515 nan 8.250 nan 0.000 0.480 239 I N 4.193 124.695 120.570 -0.114 0.000 2.291 239 I HA 0.047 4.217 4.170 -0.000 0.000 0.292 239 I C 0.681 176.754 176.117 -0.074 0.000 1.064 239 I CA 0.327 61.583 61.300 -0.073 0.000 1.269 239 I CB 0.522 38.492 38.000 -0.051 0.000 1.418 239 I HN 0.727 nan 8.210 nan 0.000 0.485 240 E N 4.514 124.680 120.200 -0.056 0.000 2.562 240 E HA 0.095 4.445 4.350 -0.000 0.000 0.214 240 E C -0.308 176.356 176.600 0.106 0.000 0.979 240 E CA -0.145 56.244 56.400 -0.017 0.000 1.002 240 E CB 0.548 30.138 29.700 -0.183 0.000 1.048 240 E HN 0.791 nan 8.360 nan 0.000 0.488 241 N N -1.377 117.373 118.700 0.083 0.000 3.039 241 N HA 0.033 4.773 4.740 -0.000 0.000 0.257 241 N C 0.487 176.028 175.510 0.052 0.000 1.497 241 N CA -0.733 52.375 53.050 0.097 0.000 0.861 241 N CB 0.186 38.724 38.487 0.084 0.000 1.479 241 N HN -0.034 nan 8.380 nan 0.000 0.547 242 H N -2.054 117.030 119.070 0.023 0.000 2.421 242 H HA -0.007 4.549 4.556 -0.000 0.000 0.298 242 H C 1.035 176.370 175.328 0.011 0.000 1.087 242 H CA 1.462 57.518 56.048 0.012 0.000 1.330 242 H CB -0.057 29.707 29.762 0.005 0.000 1.388 242 H HN 0.596 nan 8.280 nan 0.000 0.526 243 Q N 0.610 120.098 119.800 -0.520 0.000 2.079 243 Q HA -0.041 4.299 4.340 -0.000 0.000 0.200 243 Q C 2.805 178.731 176.000 -0.124 0.000 0.974 243 Q CA 1.067 56.681 55.803 -0.315 0.000 0.840 243 Q CB -0.172 28.366 28.738 -0.332 0.000 0.898 243 Q HN 0.707 nan 8.270 nan 0.000 0.430 244 G N 0.350 109.095 108.800 -0.092 0.000 2.422 244 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.218 244 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.218 244 G C 1.499 176.383 174.900 -0.027 0.000 1.146 244 G CA 0.856 45.930 45.100 -0.042 0.000 0.769 244 G HN 0.199 nan 8.290 nan 0.000 0.547 245 V N 0.293 120.199 119.914 -0.014 0.000 2.379 245 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 245 V C 2.723 178.820 176.094 0.006 0.000 1.044 245 V CA 2.095 64.398 62.300 0.005 0.000 1.036 245 V CB -0.251 31.590 31.823 0.030 0.000 0.664 245 V HN 0.397 nan 8.190 nan 0.000 0.453 246 Q N 1.037 120.841 119.800 0.006 0.000 2.079 246 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 246 Q C 1.602 177.600 176.000 -0.002 0.000 0.974 246 Q CA 1.707 57.517 55.803 0.011 0.000 0.840 246 Q CB -0.261 28.491 28.738 0.022 0.000 0.898 246 Q HN 0.616 nan 8.270 nan 0.000 0.430 247 N N 0.075 118.766 118.700 -0.015 0.000 2.276 247 N HA 0.015 4.755 4.740 -0.000 0.000 0.212 247 N C 0.893 176.394 175.510 -0.015 0.000 1.127 247 N CA 0.023 53.065 53.050 -0.015 0.000 0.834 247 N CB 0.191 38.666 38.487 -0.020 0.000 1.014 247 N HN 0.243 nan 8.380 nan 0.000 0.491 248 I N 1.667 122.229 120.570 -0.014 0.000 2.194 248 I HA -0.297 3.873 4.170 -0.000 0.000 0.246 248 I C 1.401 177.509 176.117 -0.015 0.000 1.093 248 I CA 1.681 62.972 61.300 -0.015 0.000 1.355 248 I CB -0.034 37.958 38.000 -0.013 0.000 1.046 248 I HN 0.020 nan 8.210 nan 0.000 0.413 249 D N -0.048 120.344 120.400 -0.014 0.000 2.092 249 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 249 D C 2.459 178.750 176.300 -0.014 0.000 0.994 249 D CA 2.011 56.002 54.000 -0.014 0.000 0.828 249 D CB -0.483 40.309 40.800 -0.014 0.000 0.963 249 D HN 0.540 nan 8.370 nan 0.000 0.450 250 S N 0.125 115.817 115.700 -0.013 0.000 2.406 250 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 250 S C 2.291 176.884 174.600 -0.011 0.000 1.020 250 S CA 0.348 58.541 58.200 -0.011 0.000 0.965 250 S CB -0.508 62.687 63.200 -0.010 0.000 0.798 250 S HN 0.242 nan 8.310 nan 0.000 0.488 251 I N 1.400 121.962 120.570 -0.013 0.000 2.252 251 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 251 I C 2.386 178.494 176.117 -0.015 0.000 1.102 251 I CA 1.215 62.507 61.300 -0.014 0.000 1.385 251 I CB -0.388 37.602 38.000 -0.017 0.000 1.064 251 I HN 0.262 nan 8.210 nan 0.000 0.414 252 I N 0.721 121.281 120.570 -0.017 0.000 2.226 252 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 252 I C 2.600 178.709 176.117 -0.013 0.000 1.100 252 I CA 1.371 62.660 61.300 -0.017 0.000 1.374 252 I CB -0.311 37.678 38.000 -0.018 0.000 1.057 252 I HN 0.253 nan 8.210 nan 0.000 0.413 253 E N 1.359 121.552 120.200 -0.012 0.000 2.097 253 E HA -0.306 4.044 4.350 -0.000 0.000 0.196 253 E C 2.020 178.616 176.600 -0.007 0.000 1.000 253 E CA 1.897 58.291 56.400 -0.010 0.000 0.804 253 E CB -0.070 29.623 29.700 -0.011 0.000 0.740 253 E HN 0.462 nan 8.360 nan 0.000 0.454 254 E N -0.340 119.856 120.200 -0.007 0.000 2.276 254 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 254 E C 0.342 176.940 176.600 -0.004 0.000 0.983 254 E CA 0.420 56.817 56.400 -0.004 0.000 0.861 254 E CB 0.166 29.863 29.700 -0.004 0.000 0.817 254 E HN 0.313 nan 8.360 nan 0.000 0.485 255 S N -0.115 115.581 115.700 -0.006 0.000 2.641 255 S HA 0.095 4.565 4.470 -0.000 0.000 0.261 255 S C 0.510 175.108 174.600 -0.003 0.000 1.257 255 S CA -0.521 57.676 58.200 -0.005 0.000 0.983 255 S CB 0.909 64.103 63.200 -0.010 0.000 0.990 255 S HN 0.009 nan 8.310 nan 0.000 0.572 256 D N 0.028 120.428 120.400 0.000 0.000 2.398 256 D HA 0.374 5.014 4.640 -0.000 0.000 0.210 256 D C 0.706 177.006 176.300 -0.000 0.000 1.094 256 D CA 0.618 54.620 54.000 0.003 0.000 0.839 256 D CB 0.567 41.373 40.800 0.011 0.000 0.963 256 D HN 0.807 nan 8.370 nan 0.000 0.506 257 G N 0.180 108.974 108.800 -0.010 0.000 2.321 257 G HA2 0.316 4.276 3.960 -0.000 0.000 0.298 257 G HA3 0.316 4.276 3.960 -0.000 0.000 0.298 257 G C -1.913 172.959 174.900 -0.047 0.000 1.385 257 G CA -0.726 44.358 45.100 -0.026 0.000 0.856 257 G HN -0.066 nan 8.290 nan 0.000 0.584 258 I N 0.347 120.874 120.570 -0.071 0.000 2.828 258 I HA 0.641 4.811 4.170 -0.000 0.000 0.302 258 I C -0.305 175.724 176.117 -0.147 0.000 1.101 258 I CA -0.852 60.392 61.300 -0.093 0.000 1.031 258 I CB 2.091 40.052 38.000 -0.065 0.000 1.231 258 I HN 0.728 nan 8.210 nan 0.000 0.427 259 M N 5.026 124.521 119.600 -0.175 0.000 2.197 259 M HA 0.459 4.939 4.480 -0.000 0.000 0.301 259 M C -1.666 174.542 176.300 -0.153 0.000 0.987 259 M CA -0.678 54.489 55.300 -0.222 0.000 0.921 259 M CB 1.699 34.089 32.600 -0.350 0.000 1.569 259 M HN 0.248 nan 8.290 nan 0.000 0.431 260 V N 4.976 124.819 119.914 -0.119 0.000 2.339 260 V HA 0.343 4.463 4.120 -0.000 0.000 0.261 260 V C 0.539 176.583 176.094 -0.082 0.000 1.058 260 V CA -0.447 61.804 62.300 -0.082 0.000 0.897 260 V CB 0.374 32.165 31.823 -0.053 0.000 1.052 260 V HN 0.875 nan 8.190 nan 0.000 0.480 261 A N 5.342 128.109 122.820 -0.088 0.000 2.807 261 A HA 0.394 4.714 4.320 -0.000 0.000 0.307 261 A C 1.418 178.978 177.584 -0.040 0.000 1.532 261 A CA -0.425 51.564 52.037 -0.080 0.000 1.215 261 A CB -0.222 18.706 19.000 -0.119 0.000 1.127 261 A HN 0.858 nan 8.150 nan 0.000 0.543 262 R N 1.718 122.202 120.500 -0.026 0.000 2.083 262 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 262 R C 2.316 178.621 176.300 0.008 0.000 1.137 262 R CA 2.126 58.222 56.100 -0.006 0.000 0.951 262 R CB -0.388 29.909 30.300 -0.005 0.000 0.851 262 R HN 0.674 nan 8.270 nan 0.000 0.434 263 G N 0.562 109.367 108.800 0.009 0.000 2.422 263 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 263 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 263 G C 0.888 175.815 174.900 0.044 0.000 1.146 263 G CA 1.033 46.148 45.100 0.025 0.000 0.769 263 G HN 0.284 nan 8.290 nan 0.000 0.547 264 D N 0.380 120.803 120.400 0.039 0.000 2.149 264 D HA -0.016 4.624 4.640 -0.000 0.000 0.201 264 D C 2.585 178.941 176.300 0.094 0.000 0.972 264 D CA 0.395 54.443 54.000 0.078 0.000 0.835 264 D CB 0.073 40.892 40.800 0.032 0.000 0.966 264 D HN 0.280 nan 8.370 nan 0.000 0.476 265 L N 0.953 122.211 121.223 0.057 0.000 2.141 265 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 265 L C 2.574 179.488 176.870 0.074 0.000 1.094 265 L CA 1.056 55.935 54.840 0.065 0.000 0.763 265 L CB -0.418 41.663 42.059 0.036 0.000 0.908 265 L HN 0.055 nan 8.230 nan 0.000 0.437 266 G N -0.910 107.926 108.800 0.060 0.000 2.559 266 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 266 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 266 G C 1.532 176.477 174.900 0.076 0.000 1.126 266 G CA 0.432 45.565 45.100 0.055 0.000 0.778 266 G HN 0.190 nan 8.290 nan 0.000 0.543 267 V N 1.276 121.256 119.914 0.110 0.000 2.343 267 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 267 V C 2.490 178.752 176.094 0.281 0.000 1.051 267 V CA 2.322 64.719 62.300 0.161 0.000 1.036 267 V CB -0.276 31.658 31.823 0.185 0.000 0.654 267 V HN 0.715 nan 8.190 nan 0.000 0.451 268 E N -0.699 119.632 120.200 0.218 0.000 2.511 268 E HA 0.300 4.649 4.350 -0.000 0.000 0.209 268 E C 0.234 176.905 176.600 0.119 0.000 0.986 268 E CA -0.012 56.507 56.400 0.198 0.000 0.974 268 E CB 0.470 30.208 29.700 0.063 0.000 1.030 268 E HN 0.506 nan 8.360 nan 0.000 0.490 269 I N 2.156 122.784 120.570 0.096 0.000 2.465 269 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 269 I C -2.546 173.596 176.117 0.042 0.000 1.014 269 I CA -3.042 58.292 61.300 0.057 0.000 1.093 269 I CB 1.705 39.737 38.000 0.054 0.000 1.267 269 I HN -0.310 nan 8.210 nan 0.000 0.431 270 P HA -0.029 nan 4.420 nan 0.000 0.261 270 P C 0.613 177.918 177.300 0.009 0.000 1.183 270 P CA 0.203 63.308 63.100 0.008 0.000 0.761 270 P CB 0.866 32.567 31.700 0.001 0.000 0.785 271 A N 5.402 128.225 122.820 0.004 0.000 1.915 271 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 271 A C 1.950 179.539 177.584 0.007 0.000 1.198 271 A CA 2.111 54.151 52.037 0.005 0.000 0.647 271 A CB -1.007 17.993 19.000 -0.000 0.000 0.825 271 A HN 0.681 nan 8.150 nan 0.000 0.456 272 E N 0.249 120.451 120.200 0.004 0.000 2.204 272 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 272 E C 1.607 178.212 176.600 0.008 0.000 0.990 272 E CA 1.560 57.964 56.400 0.005 0.000 0.821 272 E CB -0.418 29.284 29.700 0.003 0.000 0.750 272 E HN 0.703 nan 8.360 nan 0.000 0.477 273 K N 0.641 121.047 120.400 0.009 0.000 2.243 273 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 273 K C 2.228 178.837 176.600 0.015 0.000 1.051 273 K CA 0.700 56.993 56.287 0.012 0.000 0.970 273 K CB 0.241 32.748 32.500 0.013 0.000 0.755 273 K HN -0.007 nan 8.250 nan 0.000 0.465 274 V N 1.085 121.009 119.914 0.016 0.000 2.515 274 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 274 V C 2.236 178.338 176.094 0.013 0.000 1.058 274 V CA 1.220 63.530 62.300 0.017 0.000 1.064 274 V CB -0.209 31.625 31.823 0.018 0.000 0.675 274 V HN 0.030 nan 8.190 nan 0.000 0.461 275 V N -0.142 119.780 119.914 0.013 0.000 2.295 275 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 275 V C 2.413 178.516 176.094 0.015 0.000 1.049 275 V CA 2.003 64.311 62.300 0.015 0.000 1.024 275 V CB -0.383 31.450 31.823 0.016 0.000 0.648 275 V HN 0.422 nan 8.190 nan 0.000 0.447 276 V N 0.209 120.130 119.914 0.013 0.000 2.515 276 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 276 V C 2.645 178.745 176.094 0.009 0.000 1.058 276 V CA 1.696 64.002 62.300 0.010 0.000 1.064 276 V CB -1.042 30.786 31.823 0.008 0.000 0.675 276 V HN 0.547 nan 8.190 nan 0.000 0.461 277 A N -0.616 122.210 122.820 0.011 0.000 1.933 277 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 277 A C 2.262 179.850 177.584 0.006 0.000 1.175 277 A CA 1.992 54.034 52.037 0.009 0.000 0.628 277 A CB -0.520 18.488 19.000 0.014 0.000 0.814 277 A HN 0.579 nan 8.150 nan 0.000 0.444 278 Q N -0.094 119.711 119.800 0.007 0.000 2.096 278 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 278 Q C 1.921 177.929 176.000 0.012 0.000 0.982 278 Q CA 1.959 57.765 55.803 0.006 0.000 0.850 278 Q CB -0.126 28.617 28.738 0.009 0.000 0.901 278 Q HN 0.707 nan 8.270 nan 0.000 0.422 279 K N 0.053 120.463 120.400 0.016 0.000 2.057 279 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 279 K C 2.120 178.726 176.600 0.009 0.000 1.049 279 K CA 1.472 57.771 56.287 0.019 0.000 0.931 279 K CB -0.114 32.395 32.500 0.015 0.000 0.714 279 K HN 0.268 nan 8.250 nan 0.000 0.440 280 I N 1.338 121.910 120.570 0.002 0.000 2.142 280 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 280 I C 2.243 178.357 176.117 -0.004 0.000 1.078 280 I CA 1.271 62.569 61.300 -0.004 0.000 1.343 280 I CB -0.383 37.615 38.000 -0.003 0.000 1.046 280 I HN 0.112 nan 8.210 nan 0.000 0.405 281 L N 0.386 121.606 121.223 -0.004 0.000 2.083 281 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 281 L C 2.554 179.421 176.870 -0.005 0.000 1.083 281 L CA 1.540 56.375 54.840 -0.009 0.000 0.752 281 L CB -0.595 41.454 42.059 -0.015 0.000 0.899 281 L HN 0.281 nan 8.230 nan 0.000 0.433 282 I N -0.599 119.975 120.570 0.006 0.000 2.202 282 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 282 I C 2.638 178.776 176.117 0.035 0.000 1.091 282 I CA 1.075 62.388 61.300 0.022 0.000 1.368 282 I CB -0.191 37.834 38.000 0.041 0.000 1.058 282 I HN 0.157 nan 8.210 nan 0.000 0.410 283 S N 0.613 116.327 115.700 0.024 0.000 2.382 283 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 283 S C 1.937 176.535 174.600 -0.003 0.000 1.027 283 S CA 1.250 59.455 58.200 0.009 0.000 0.991 283 S CB -0.177 63.008 63.200 -0.024 0.000 0.823 283 S HN 0.361 nan 8.310 nan 0.000 0.469 284 K N 0.229 120.624 120.400 -0.009 0.000 2.097 284 K HA -0.029 4.291 4.320 -0.000 0.000 0.206 284 K C 2.279 178.870 176.600 -0.014 0.000 1.049 284 K CA 1.210 57.488 56.287 -0.016 0.000 0.933 284 K CB -0.310 32.181 32.500 -0.016 0.000 0.717 284 K HN 0.332 nan 8.250 nan 0.000 0.442 285 C N 0.925 120.221 119.300 -0.007 0.000 2.457 285 C HA -0.034 4.426 4.460 -0.000 0.000 0.278 285 C C 2.193 177.182 174.990 -0.003 0.000 1.309 285 C CA 0.583 59.596 59.018 -0.009 0.000 1.735 285 C CB -1.174 26.559 27.740 -0.011 0.000 1.992 285 C HN 0.531 nan 8.230 nan 0.000 0.493 286 N N 0.626 119.338 118.700 0.020 0.000 2.043 286 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 286 N C 1.556 177.062 175.510 -0.008 0.000 1.037 286 N CA 1.498 54.573 53.050 0.042 0.000 0.851 286 N CB -0.142 38.426 38.487 0.135 0.000 1.027 286 N HN 0.290 nan 8.380 nan 0.000 0.422 287 V N 1.273 121.172 119.914 -0.025 0.000 2.407 287 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 287 V C 2.263 178.319 176.094 -0.063 0.000 1.055 287 V CA 1.814 64.078 62.300 -0.061 0.000 1.049 287 V CB -0.818 30.973 31.823 -0.054 0.000 0.662 287 V HN 0.361 nan 8.190 nan 0.000 0.455 288 A N -0.429 122.366 122.820 -0.041 0.000 2.066 288 A HA 0.281 4.601 4.320 -0.000 0.000 0.218 288 A C 2.046 179.610 177.584 -0.033 0.000 1.157 288 A CA 1.285 53.302 52.037 -0.033 0.000 0.670 288 A CB -0.588 18.398 19.000 -0.023 0.000 0.804 288 A HN 1.339 nan 8.150 nan 0.000 0.453 289 G N -1.048 107.729 108.800 -0.038 0.000 2.149 289 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 289 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 289 G C -0.074 174.818 174.900 -0.013 0.000 1.018 289 G CA 0.462 45.543 45.100 -0.032 0.000 0.728 289 G HN 0.596 nan 8.290 nan 0.000 0.508 290 K N 0.888 121.281 120.400 -0.013 0.000 2.324 290 K HA 0.512 4.832 4.320 -0.000 0.000 0.253 290 K C -2.437 174.155 176.600 -0.013 0.000 0.932 290 K CA -2.187 54.095 56.287 -0.010 0.000 0.799 290 K CB 2.760 35.253 32.500 -0.012 0.000 1.154 290 K HN 0.009 nan 8.250 nan 0.000 0.425 291 P HA -0.063 nan 4.420 nan 0.000 0.266 291 P C -0.806 176.472 177.300 -0.036 0.000 1.195 291 P CA -0.164 62.925 63.100 -0.019 0.000 0.768 291 P CB 0.839 32.533 31.700 -0.010 0.000 0.838 292 V N 4.778 124.667 119.914 -0.042 0.000 2.638 292 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 292 V C -0.610 175.440 176.094 -0.074 0.000 1.052 292 V CA -1.026 61.239 62.300 -0.059 0.000 0.885 292 V CB 1.603 33.405 31.823 -0.035 0.000 0.999 292 V HN 0.309 nan 8.190 nan 0.000 0.424 293 I N 6.316 126.817 120.570 -0.116 0.000 2.378 293 I HA 0.402 4.572 4.170 -0.000 0.000 0.291 293 I C -0.078 175.973 176.117 -0.110 0.000 0.992 293 I CA -0.397 60.825 61.300 -0.130 0.000 1.154 293 I CB 1.566 39.428 38.000 -0.230 0.000 1.315 293 I HN 0.632 nan 8.210 nan 0.000 0.448 294 C N 5.906 125.160 119.300 -0.076 0.000 2.373 294 C HA 0.613 5.073 4.460 -0.000 0.000 0.354 294 C C 1.375 176.325 174.990 -0.066 0.000 1.249 294 C CA -0.116 58.867 59.018 -0.059 0.000 1.784 294 C CB -0.419 27.298 27.740 -0.038 0.000 2.408 294 C HN 0.966 nan 8.230 nan 0.000 0.542 295 A N 4.279 127.056 122.820 -0.073 0.000 2.013 295 A HA 0.311 4.631 4.320 -0.000 0.000 0.204 295 A C 1.036 178.596 177.584 -0.040 0.000 1.262 295 A CA 0.899 52.894 52.037 -0.071 0.000 0.800 295 A CB -0.368 18.563 19.000 -0.115 0.000 0.909 295 A HN 0.858 nan 8.150 nan 0.000 0.472 296 T N -2.896 111.639 114.554 -0.031 0.000 2.950 296 T HA 0.497 4.847 4.350 -0.000 0.000 0.288 296 T C -0.325 174.371 174.700 -0.006 0.000 1.035 296 T CA -0.323 61.770 62.100 -0.013 0.000 1.028 296 T CB 1.105 69.968 68.868 -0.007 0.000 1.109 296 T HN 0.387 nan 8.240 nan 0.000 0.514 297 Q N 0.445 120.246 119.800 0.001 0.000 2.443 297 Q HA -0.134 4.206 4.340 -0.000 0.000 0.337 297 Q C -0.658 175.339 176.000 -0.006 0.000 1.401 297 Q CA 0.388 56.192 55.803 0.002 0.000 0.943 297 Q CB -1.393 27.350 28.738 0.008 0.000 1.177 297 Q HN 0.610 nan 8.270 nan 0.000 0.394 298 M N 0.856 120.449 119.600 -0.011 0.000 2.180 298 M HA 0.264 4.744 4.480 -0.000 0.000 0.350 298 M C 0.709 176.992 176.300 -0.029 0.000 1.125 298 M CA -0.398 54.890 55.300 -0.020 0.000 1.031 298 M CB 1.178 33.767 32.600 -0.018 0.000 1.623 298 M HN 0.459 nan 8.290 nan 0.000 0.451 299 L N 1.882 123.078 121.223 -0.045 0.000 3.737 299 L HA -0.307 4.033 4.340 -0.000 0.000 0.418 299 L C 1.400 178.240 176.870 -0.050 0.000 1.216 299 L CA 0.317 55.114 54.840 -0.073 0.000 0.915 299 L CB -1.471 40.534 42.059 -0.091 0.000 1.834 299 L HN 0.779 nan 8.230 nan 0.000 0.943 300 E N 1.002 121.186 120.200 -0.027 0.000 2.070 300 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 300 E C 2.009 178.616 176.600 0.013 0.000 1.004 300 E CA 2.033 58.428 56.400 -0.008 0.000 0.805 300 E CB 0.042 29.752 29.700 0.016 0.000 0.744 300 E HN 0.750 nan 8.360 nan 0.000 0.451 301 S N -0.081 115.641 115.700 0.036 0.000 2.442 301 S HA -0.161 4.309 4.470 -0.000 0.000 0.236 301 S C 1.822 176.474 174.600 0.086 0.000 1.007 301 S CA 0.997 59.257 58.200 0.100 0.000 0.965 301 S CB -0.222 63.012 63.200 0.057 0.000 0.773 301 S HN 0.301 nan 8.310 nan 0.000 0.504 302 M N 1.787 121.388 119.600 0.001 0.000 2.696 302 M HA 0.059 4.539 4.480 -0.000 0.000 0.220 302 M C 0.812 177.133 176.300 0.034 0.000 1.133 302 M CA 0.475 55.778 55.300 0.005 0.000 1.016 302 M CB -0.516 32.048 32.600 -0.060 0.000 1.740 302 M HN 0.411 nan 8.290 nan 0.000 0.502 303 T N -1.113 113.381 114.554 -0.101 0.000 3.014 303 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 303 T C 0.634 175.118 174.700 -0.359 0.000 1.078 303 T CA 1.028 62.931 62.100 -0.329 0.000 1.135 303 T CB 0.037 68.497 68.868 -0.681 0.000 0.895 303 T HN 0.471 nan 8.240 nan 0.000 0.480 304 Y N 0.481 120.865 120.300 0.139 0.000 2.585 304 Y HA 0.397 4.947 4.550 -0.000 0.000 0.272 304 Y C 0.778 176.858 175.900 0.299 0.000 1.119 304 Y CA -1.027 57.165 58.100 0.154 0.000 1.255 304 Y CB -0.044 38.464 38.460 0.080 0.000 1.284 304 Y HN 0.051 nan 8.280 nan 0.000 0.499 305 N N 3.488 122.409 118.700 0.368 0.000 2.487 305 N HA 0.150 4.890 4.740 -0.000 0.000 0.292 305 N C -2.110 173.315 175.510 -0.142 0.000 1.108 305 N CA -1.719 51.434 53.050 0.173 0.000 0.956 305 N CB 1.310 39.848 38.487 0.086 0.000 1.176 305 N HN -0.087 nan 8.380 nan 0.000 0.484 306 P HA -0.054 nan 4.420 nan 0.000 0.233 306 P C -0.411 176.675 177.300 -0.357 0.000 1.167 306 P CA 1.042 63.619 63.100 -0.871 0.000 0.770 306 P CB 0.606 31.930 31.700 -0.627 0.000 0.837 307 R N 0.247 120.630 120.500 -0.194 0.000 2.686 307 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 307 R C -2.537 173.671 176.300 -0.152 0.000 0.978 307 R CA -2.114 53.912 56.100 -0.124 0.000 0.897 307 R CB 2.335 32.609 30.300 -0.043 0.000 1.192 307 R HN 0.008 nan 8.270 nan 0.000 0.457 308 P HA 0.109 nan 4.420 nan 0.000 0.279 308 P C -0.468 176.739 177.300 -0.155 0.000 1.276 308 P CA -0.373 62.583 63.100 -0.240 0.000 0.801 308 P CB 0.824 32.267 31.700 -0.428 0.000 1.127 309 T N -2.644 111.847 114.554 -0.104 0.000 2.847 309 T HA 0.265 4.615 4.350 -0.000 0.000 0.279 309 T C 1.469 176.138 174.700 -0.053 0.000 0.984 309 T CA -0.630 61.435 62.100 -0.057 0.000 0.988 309 T CB 0.780 69.629 68.868 -0.031 0.000 1.040 309 T HN 0.222 nan 8.240 nan 0.000 0.528 310 R N 0.379 120.867 120.500 -0.021 0.000 2.080 310 R HA -0.110 4.230 4.340 -0.000 0.000 0.236 310 R C 2.654 178.953 176.300 -0.002 0.000 1.137 310 R CA 1.773 57.872 56.100 -0.003 0.000 0.943 310 R CB -1.287 29.018 30.300 0.009 0.000 0.846 310 R HN 0.877 nan 8.270 nan 0.000 0.431 311 A N 0.996 123.813 122.820 -0.005 0.000 1.933 311 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 311 A C 1.950 179.528 177.584 -0.009 0.000 1.175 311 A CA 1.499 53.536 52.037 -0.000 0.000 0.628 311 A CB -0.348 18.652 19.000 0.000 0.000 0.814 311 A HN 0.421 nan 8.150 nan 0.000 0.444 312 E N -0.434 119.748 120.200 -0.030 0.000 2.106 312 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 312 E C 1.945 178.514 176.600 -0.052 0.000 0.984 312 E CA 1.141 57.513 56.400 -0.047 0.000 0.806 312 E CB -0.222 29.432 29.700 -0.076 0.000 0.750 312 E HN 0.419 nan 8.360 nan 0.000 0.458 313 V N 1.417 121.298 119.914 -0.054 0.000 2.307 313 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 313 V C 2.543 178.647 176.094 0.016 0.000 1.045 313 V CA 2.064 64.351 62.300 -0.022 0.000 1.024 313 V CB -0.589 31.243 31.823 0.014 0.000 0.651 313 V HN 0.377 nan 8.190 nan 0.000 0.449 314 S N 0.126 115.844 115.700 0.029 0.000 2.402 314 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 314 S C 1.755 176.383 174.600 0.047 0.000 1.021 314 S CA 1.671 59.905 58.200 0.057 0.000 0.974 314 S CB -0.556 62.682 63.200 0.064 0.000 0.800 314 S HN 0.642 nan 8.310 nan 0.000 0.484 315 D N 1.408 121.821 120.400 0.022 0.000 2.117 315 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 315 D C 1.799 178.098 176.300 -0.001 0.000 0.987 315 D CA 1.358 55.367 54.000 0.015 0.000 0.829 315 D CB -0.348 40.453 40.800 0.002 0.000 0.961 315 D HN 0.297 nan 8.370 nan 0.000 0.460 316 V N 0.569 120.472 119.914 -0.018 0.000 2.358 316 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 316 V C 2.550 178.596 176.094 -0.082 0.000 1.047 316 V CA 1.678 63.955 62.300 -0.039 0.000 1.035 316 V CB -0.852 30.953 31.823 -0.030 0.000 0.658 316 V HN 0.348 nan 8.190 nan 0.000 0.452 317 A N 0.357 123.125 122.820 -0.087 0.000 1.902 317 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 317 A C 2.043 179.431 177.584 -0.327 0.000 1.181 317 A CA 1.877 53.769 52.037 -0.241 0.000 0.623 317 A CB -0.618 18.320 19.000 -0.104 0.000 0.818 317 A HN 0.592 nan 8.150 nan 0.000 0.443 318 N N 0.288 118.991 118.700 0.006 0.000 2.381 318 N HA -0.050 4.690 4.740 -0.000 0.000 0.182 318 N C 1.794 177.357 175.510 0.088 0.000 1.025 318 N CA 1.133 54.291 53.050 0.179 0.000 0.888 318 N CB -0.309 38.296 38.487 0.196 0.000 0.965 318 N HN 0.500 nan 8.380 nan 0.000 0.438 319 A N 0.720 123.539 122.820 -0.002 0.000 1.930 319 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 319 A C 2.468 180.041 177.584 -0.018 0.000 1.175 319 A CA 1.018 53.053 52.037 -0.003 0.000 0.627 319 A CB -0.521 18.462 19.000 -0.028 0.000 0.815 319 A HN 0.088 nan 8.150 nan 0.000 0.443 320 V N -1.161 118.683 119.914 -0.116 0.000 2.379 320 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 320 V C 2.264 178.330 176.094 -0.047 0.000 1.044 320 V CA 1.701 63.907 62.300 -0.158 0.000 1.036 320 V CB -1.002 30.632 31.823 -0.315 0.000 0.664 320 V HN 0.521 nan 8.190 nan 0.000 0.453 321 F N 1.032 121.029 119.950 0.078 0.000 2.216 321 F HA -0.102 4.425 4.527 -0.000 0.000 0.300 321 F C 2.189 178.090 175.800 0.169 0.000 1.085 321 F CA 1.125 59.198 58.000 0.121 0.000 1.326 321 F CB -1.257 37.798 39.000 0.091 0.000 1.027 321 F HN 0.254 nan 8.300 nan 0.000 0.497 322 N N -0.879 117.993 118.700 0.286 0.000 2.188 322 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 322 N C 1.469 177.143 175.510 0.274 0.000 1.018 322 N CA 0.940 54.118 53.050 0.212 0.000 0.858 322 N CB -0.156 38.405 38.487 0.124 0.000 0.989 322 N HN 0.368 nan 8.380 nan 0.000 0.426 323 G N -0.331 108.621 108.800 0.252 0.000 2.173 323 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.142 323 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.142 323 G C -0.025 174.921 174.900 0.076 0.000 1.019 323 G CA -0.129 45.116 45.100 0.242 0.000 0.699 323 G HN 0.470 nan 8.290 nan 0.000 0.495 324 A N 0.047 122.890 122.820 0.038 0.000 2.531 324 A HA 0.519 4.839 4.320 -0.000 0.000 0.236 324 A C 1.037 178.602 177.584 -0.032 0.000 1.062 324 A CA 1.336 53.370 52.037 -0.004 0.000 0.760 324 A CB 0.218 19.207 19.000 -0.018 0.000 0.995 324 A HN 0.289 nan 8.150 nan 0.000 0.501 325 D N -0.107 120.272 120.400 -0.035 0.000 2.120 325 D HA 0.064 4.704 4.640 -0.000 0.000 0.202 325 D C 0.126 176.401 176.300 -0.041 0.000 0.972 325 D CA 1.411 55.387 54.000 -0.040 0.000 0.837 325 D CB 0.105 40.888 40.800 -0.030 0.000 0.989 325 D HN 0.610 nan 8.370 nan 0.000 0.469 326 C N -0.013 119.262 119.300 -0.042 0.000 2.779 326 C HA 0.754 5.214 4.460 -0.000 0.000 0.314 326 C C -0.406 174.558 174.990 -0.044 0.000 1.231 326 C CA -1.199 57.797 59.018 -0.038 0.000 1.652 326 C CB 1.558 29.282 27.740 -0.028 0.000 2.198 326 C HN 0.108 nan 8.230 nan 0.000 0.483 327 V N 0.148 120.041 119.914 -0.035 0.000 2.680 327 V HA 0.745 4.865 4.120 -0.000 0.000 0.309 327 V C -0.635 175.448 176.094 -0.018 0.000 1.052 327 V CA -0.571 61.709 62.300 -0.033 0.000 0.908 327 V CB 1.619 33.422 31.823 -0.034 0.000 1.001 327 V HN 1.011 nan 8.190 nan 0.000 0.431 328 M N 3.965 123.555 119.600 -0.018 0.000 2.662 328 M HA 0.720 5.200 4.480 -0.000 0.000 0.310 328 M C -1.978 174.327 176.300 0.009 0.000 1.204 328 M CA -0.873 54.429 55.300 0.003 0.000 0.891 328 M CB 2.315 34.913 32.600 -0.002 0.000 1.732 328 M HN 0.740 nan 8.290 nan 0.000 0.467 329 L N 1.922 123.161 121.223 0.026 0.000 2.381 329 L HA 0.451 4.791 4.340 -0.000 0.000 0.274 329 L C -0.168 176.724 176.870 0.036 0.000 0.988 329 L CA -0.301 54.553 54.840 0.023 0.000 0.824 329 L CB 2.224 44.297 42.059 0.022 0.000 1.263 329 L HN 0.811 nan 8.230 nan 0.000 0.410 330 S N 1.310 117.027 115.700 0.028 0.000 2.910 330 S HA 0.124 4.594 4.470 -0.000 0.000 0.167 330 S C 1.583 176.198 174.600 0.026 0.000 0.681 330 S CA 0.510 58.735 58.200 0.041 0.000 0.828 330 S CB -0.107 63.118 63.200 0.042 0.000 0.739 330 S HN 0.866 nan 8.310 nan 0.000 0.611 331 G N 1.157 109.960 108.800 0.004 0.000 2.471 331 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 331 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 331 G C 1.017 175.880 174.900 -0.060 0.000 1.125 331 G CA 0.718 45.801 45.100 -0.027 0.000 0.775 331 G HN 0.438 nan 8.290 nan 0.000 0.548 332 E N 0.308 120.478 120.200 -0.050 0.000 2.153 332 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 332 E C 2.744 179.332 176.600 -0.021 0.000 0.988 332 E CA 1.749 58.119 56.400 -0.051 0.000 0.811 332 E CB -0.231 29.453 29.700 -0.026 0.000 0.746 332 E HN 0.597 nan 8.360 nan 0.000 0.466 333 T N -3.151 111.402 114.554 -0.001 0.000 3.018 333 T HA 0.374 4.724 4.350 -0.000 0.000 0.246 333 T C 1.987 176.697 174.700 0.017 0.000 1.026 333 T CA 0.268 62.377 62.100 0.014 0.000 1.081 333 T CB 0.039 68.925 68.868 0.030 0.000 0.970 333 T HN 0.116 nan 8.240 nan 0.000 0.475 334 A N 3.260 126.093 122.820 0.022 0.000 1.873 334 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 334 A C 2.125 179.719 177.584 0.015 0.000 1.186 334 A CA 1.574 53.634 52.037 0.038 0.000 0.616 334 A CB -0.366 18.667 19.000 0.055 0.000 0.823 334 A HN 0.727 nan 8.150 nan 0.000 0.442 335 K N -1.258 119.130 120.400 -0.020 0.000 2.533 335 K HA 0.343 4.663 4.320 -0.000 0.000 0.202 335 K C 0.648 177.198 176.600 -0.083 0.000 1.096 335 K CA 0.208 56.471 56.287 -0.041 0.000 1.056 335 K CB 0.073 32.548 32.500 -0.042 0.000 0.890 335 K HN 0.251 nan 8.250 nan 0.000 0.552 336 G N 1.435 110.180 108.800 -0.092 0.000 2.636 336 G HA2 0.003 3.963 3.960 -0.000 0.000 0.246 336 G HA3 0.003 3.963 3.960 -0.000 0.000 0.246 336 G C -0.039 174.780 174.900 -0.136 0.000 1.216 336 G CA -0.520 44.502 45.100 -0.130 0.000 0.854 336 G HN 0.237 nan 8.290 nan 0.000 0.572 337 K N -0.828 119.451 120.400 -0.201 0.000 2.356 337 K HA 0.121 4.441 4.320 -0.000 0.000 0.195 337 K C -0.357 175.857 176.600 -0.643 0.000 1.037 337 K CA 0.348 56.390 56.287 -0.409 0.000 1.014 337 K CB 0.130 32.329 32.500 -0.501 0.000 0.815 337 K HN 0.515 nan 8.250 nan 0.000 0.507 338 Y N -0.376 119.917 120.300 -0.012 0.000 2.470 338 Y HA 0.282 4.832 4.550 0.000 0.000 0.352 338 Y C -2.269 173.632 175.900 0.002 0.000 0.967 338 Y CA -2.375 55.727 58.100 0.004 0.000 1.121 338 Y CB 1.186 39.655 38.460 0.015 0.000 1.149 338 Y HN 0.063 nan 8.280 nan 0.000 0.641 339 P HA -0.195 nan 4.420 nan 0.000 0.215 339 P C 1.200 178.544 177.300 0.073 0.000 1.163 339 P CA 1.787 64.921 63.100 0.056 0.000 0.894 339 P CB 0.466 32.182 31.700 0.027 0.000 0.791 340 N N -0.651 118.096 118.700 0.079 0.000 2.142 340 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 340 N C 1.604 177.166 175.510 0.087 0.000 1.023 340 N CA 1.201 54.294 53.050 0.072 0.000 0.852 340 N CB -0.681 37.844 38.487 0.062 0.000 0.998 340 N HN 0.214 nan 8.380 nan 0.000 0.424 341 E N 0.468 120.742 120.200 0.123 0.000 2.110 341 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 341 E C 2.102 178.783 176.600 0.135 0.000 0.988 341 E CA 0.452 56.926 56.400 0.123 0.000 0.804 341 E CB -0.227 29.548 29.700 0.124 0.000 0.745 341 E HN 0.124 nan 8.360 nan 0.000 0.458 342 V N 0.068 120.054 119.914 0.120 0.000 2.323 342 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 342 V C 2.221 178.373 176.094 0.096 0.000 1.041 342 V CA 1.288 63.644 62.300 0.093 0.000 1.025 342 V CB -0.588 31.270 31.823 0.057 0.000 0.656 342 V HN 0.123 nan 8.190 nan 0.000 0.451 343 V N -0.095 119.864 119.914 0.076 0.000 2.295 343 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 343 V C 2.516 178.648 176.094 0.063 0.000 1.049 343 V CA 2.133 64.468 62.300 0.059 0.000 1.024 343 V CB -0.862 30.988 31.823 0.044 0.000 0.648 343 V HN 0.560 nan 8.190 nan 0.000 0.447 344 Q N -1.325 118.516 119.800 0.067 0.000 2.084 344 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 344 Q C 2.257 178.289 176.000 0.054 0.000 0.978 344 Q CA 2.179 58.007 55.803 0.043 0.000 0.844 344 Q CB -0.310 28.445 28.738 0.029 0.000 0.898 344 Q HN 0.706 nan 8.270 nan 0.000 0.426 345 Y N 0.679 120.972 120.300 -0.011 0.000 2.200 345 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 345 Y C 2.222 178.109 175.900 -0.022 0.000 1.137 345 Y CA 1.460 59.550 58.100 -0.018 0.000 1.163 345 Y CB -0.143 38.304 38.460 -0.021 0.000 0.988 345 Y HN 0.087 nan 8.280 nan 0.000 0.518 346 M N -0.743 118.981 119.600 0.206 0.000 2.117 346 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 346 M C 2.268 178.601 176.300 0.054 0.000 1.065 346 M CA 2.043 57.407 55.300 0.107 0.000 1.114 346 M CB -0.230 32.402 32.600 0.052 0.000 1.361 346 M HN 0.248 nan 8.290 nan 0.000 0.408 347 A N 0.341 123.180 122.820 0.032 0.000 1.902 347 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 347 A C 2.192 179.763 177.584 -0.022 0.000 1.181 347 A CA 1.960 53.992 52.037 -0.009 0.000 0.623 347 A CB -0.829 18.162 19.000 -0.014 0.000 0.818 347 A HN 0.621 nan 8.150 nan 0.000 0.443 348 R N -0.340 120.146 120.500 -0.024 0.000 2.105 348 R HA -0.095 4.245 4.340 -0.000 0.000 0.239 348 R C 1.889 178.171 176.300 -0.031 0.000 1.135 348 R CA 1.760 57.824 56.100 -0.060 0.000 0.967 348 R CB -0.370 29.835 30.300 -0.158 0.000 0.861 348 R HN 0.598 nan 8.270 nan 0.000 0.442 349 I N -0.317 120.267 120.570 0.023 0.000 2.353 349 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 349 I C 2.317 178.408 176.117 -0.044 0.000 1.119 349 I CA 0.737 62.053 61.300 0.027 0.000 1.417 349 I CB -0.212 37.837 38.000 0.081 0.000 1.078 349 I HN 0.297 nan 8.210 nan 0.000 0.421 350 C N 0.404 119.672 119.300 -0.053 0.000 2.435 350 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 350 C C 2.722 177.661 174.990 -0.085 0.000 1.321 350 C CA 0.395 59.357 59.018 -0.094 0.000 1.752 350 C CB -0.854 26.836 27.740 -0.083 0.000 1.959 350 C HN 0.490 nan 8.230 nan 0.000 0.500 351 L N 0.911 122.099 121.223 -0.059 0.000 2.027 351 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 351 L C 2.751 179.614 176.870 -0.011 0.000 1.074 351 L CA 1.921 56.738 54.840 -0.038 0.000 0.745 351 L CB -0.508 41.532 42.059 -0.032 0.000 0.898 351 L HN 0.300 nan 8.230 nan 0.000 0.433 352 E N 0.278 120.470 120.200 -0.014 0.000 2.072 352 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 352 E C 1.976 178.597 176.600 0.034 0.000 0.985 352 E CA 1.614 58.023 56.400 0.014 0.000 0.801 352 E CB -0.129 29.578 29.700 0.012 0.000 0.750 352 E HN 0.451 nan 8.360 nan 0.000 0.452 353 A N 0.573 123.361 122.820 -0.053 0.000 1.902 353 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 353 A C 2.254 179.839 177.584 0.001 0.000 1.181 353 A CA 1.887 53.815 52.037 -0.181 0.000 0.623 353 A CB -0.781 17.867 19.000 -0.588 0.000 0.818 353 A HN 0.466 nan 8.150 nan 0.000 0.443 354 Q N 0.511 120.306 119.800 -0.009 0.000 2.084 354 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 354 Q C 2.164 178.248 176.000 0.140 0.000 0.978 354 Q CA 2.455 58.294 55.803 0.060 0.000 0.844 354 Q CB -0.282 28.476 28.738 0.033 0.000 0.898 354 Q HN 0.768 nan 8.270 nan 0.000 0.426 355 S N -0.375 115.403 115.700 0.130 0.000 2.419 355 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 355 S C 1.855 176.584 174.600 0.214 0.000 1.019 355 S CA 1.043 59.331 58.200 0.148 0.000 0.982 355 S CB -0.314 62.949 63.200 0.104 0.000 0.789 355 S HN 0.488 nan 8.310 nan 0.000 0.490 356 A N 0.414 123.396 122.820 0.269 0.000 2.147 356 A HA 0.493 4.813 4.320 -0.000 0.000 0.211 356 A C 0.922 178.749 177.584 0.405 0.000 1.160 356 A CA -0.292 51.941 52.037 0.328 0.000 0.781 356 A CB -0.251 18.937 19.000 0.314 0.000 0.842 356 A HN 0.550 nan 8.150 nan 0.000 0.475 357 L N 1.484 122.939 121.223 0.387 0.000 2.462 357 L HA 0.082 4.422 4.340 -0.000 0.000 0.272 357 L C -0.253 176.677 176.870 0.100 0.000 1.166 357 L CA -0.366 54.662 54.840 0.313 0.000 0.880 357 L CB 0.376 42.607 42.059 0.287 0.000 1.142 357 L HN 0.245 nan 8.230 nan 0.000 0.473 358 N N 3.923 122.612 118.700 -0.018 0.000 2.602 358 N HA 0.056 4.796 4.740 -0.000 0.000 0.238 358 N C 0.649 176.236 175.510 0.128 0.000 1.084 358 N CA -0.036 52.863 53.050 -0.250 0.000 0.952 358 N CB 0.604 38.871 38.487 -0.368 0.000 1.244 358 N HN 0.554 nan 8.380 nan 0.000 0.512 359 E N 1.413 121.715 120.200 0.170 0.000 2.409 359 E HA -0.203 4.147 4.350 -0.000 0.000 0.198 359 E C 0.449 177.264 176.600 0.358 0.000 1.024 359 E CA 0.494 57.060 56.400 0.277 0.000 0.861 359 E CB 0.041 29.852 29.700 0.185 0.000 0.788 359 E HN 0.658 nan 8.360 nan 0.000 0.521 360 Y N 0.919 121.331 120.300 0.187 0.000 2.242 360 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 360 Y C 2.059 178.012 175.900 0.087 0.000 1.137 360 Y CA 0.954 59.058 58.100 0.008 0.000 1.181 360 Y CB -0.062 38.350 38.460 -0.080 0.000 0.989 360 Y HN -0.180 nan 8.280 nan 0.000 0.527 361 V N -0.195 119.810 119.914 0.152 0.000 2.287 361 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 361 V C 2.111 178.176 176.094 -0.048 0.000 1.053 361 V CA 2.180 64.502 62.300 0.036 0.000 1.027 361 V CB -0.953 30.886 31.823 0.027 0.000 0.646 361 V HN 0.338 nan 8.190 nan 0.000 0.447 362 F N -0.695 119.239 119.950 -0.027 0.000 2.075 362 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 362 F C 2.190 177.961 175.800 -0.048 0.000 1.113 362 F CA 2.217 60.205 58.000 -0.019 0.000 1.218 362 F CB -0.824 38.201 39.000 0.041 0.000 0.984 362 F HN 0.166 nan 8.300 nan 0.000 0.472 363 F N 1.106 121.066 119.950 0.017 0.000 2.065 363 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 363 F C 2.333 178.004 175.800 -0.214 0.000 1.112 363 F CA 2.196 60.139 58.000 -0.094 0.000 1.212 363 F CB -1.034 37.778 39.000 -0.313 0.000 0.975 363 F HN 0.020 nan 8.300 nan 0.000 0.476 364 N N -0.672 117.659 118.700 -0.614 0.000 2.120 364 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 364 N C 1.957 177.256 175.510 -0.352 0.000 1.024 364 N CA 1.361 54.054 53.050 -0.595 0.000 0.852 364 N CB -0.105 38.111 38.487 -0.453 0.000 1.003 364 N HN 0.300 nan 8.380 nan 0.000 0.424 365 S N 1.154 116.704 115.700 -0.250 0.000 2.353 365 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 365 S C 2.025 176.519 174.600 -0.176 0.000 1.035 365 S CA 0.930 59.016 58.200 -0.189 0.000 1.025 365 S CB -0.272 62.808 63.200 -0.200 0.000 0.902 365 S HN 0.321 nan 8.310 nan 0.000 0.440 366 I N 1.272 121.732 120.570 -0.183 0.000 2.264 366 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 366 I C 2.460 178.496 176.117 -0.135 0.000 1.111 366 I CA 1.169 62.366 61.300 -0.173 0.000 1.382 366 I CB -0.309 37.544 38.000 -0.245 0.000 1.060 366 I HN 0.226 nan 8.210 nan 0.000 0.418 367 K N 0.731 121.010 120.400 -0.201 0.000 2.148 367 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 367 K C 1.899 178.424 176.600 -0.125 0.000 1.050 367 K CA 0.887 57.069 56.287 -0.176 0.000 0.942 367 K CB 0.013 32.266 32.500 -0.410 0.000 0.724 367 K HN 0.208 nan 8.250 nan 0.000 0.446 368 K N 0.708 121.028 120.400 -0.134 0.000 2.432 368 K HA 0.002 4.322 4.320 -0.000 0.000 0.196 368 K C 1.881 178.447 176.600 -0.057 0.000 1.038 368 K CA 0.581 56.815 56.287 -0.088 0.000 0.986 368 K CB 0.078 32.526 32.500 -0.087 0.000 0.782 368 K HN 0.196 nan 8.250 nan 0.000 0.485 369 L N 0.542 121.730 121.223 -0.060 0.000 2.416 369 L HA 0.024 4.364 4.340 -0.000 0.000 0.216 369 L C 0.723 177.593 176.870 0.001 0.000 1.098 369 L CA 0.057 54.877 54.840 -0.035 0.000 0.840 369 L CB 0.065 42.091 42.059 -0.055 0.000 0.981 369 L HN 0.048 nan 8.230 nan 0.000 0.462 370 Q N 0.133 119.939 119.800 0.009 0.000 2.432 370 Q HA 0.008 4.348 4.340 -0.000 0.000 0.264 370 Q C -0.451 175.596 176.000 0.078 0.000 1.035 370 Q CA 0.449 56.283 55.803 0.051 0.000 0.908 370 Q CB 0.587 29.365 28.738 0.066 0.000 1.280 370 Q HN 0.119 nan 8.270 nan 0.000 0.455 371 H N 0.593 119.664 119.070 0.000 0.000 2.505 371 H HA 0.490 5.046 4.556 -0.000 0.000 0.351 371 H C -0.730 174.599 175.328 0.001 0.000 1.151 371 H CA -0.313 55.733 56.048 -0.003 0.000 1.339 371 H CB 0.518 30.279 29.762 -0.002 0.000 1.483 371 H HN 0.453 nan 8.280 nan 0.000 0.558 372 I N 6.465 126.617 120.570 -0.697 0.000 2.418 372 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 372 I C -2.069 173.684 176.117 -0.608 0.000 1.008 372 I CA -1.966 59.067 61.300 -0.445 0.000 1.104 372 I CB 1.872 39.720 38.000 -0.254 0.000 1.264 372 I HN 0.574 nan 8.210 nan 0.000 0.438 373 P HA 0.341 nan 4.420 nan 0.000 0.276 373 P C -1.080 176.188 177.300 -0.054 0.000 1.244 373 P CA -0.504 62.520 63.100 -0.127 0.000 0.801 373 P CB 1.166 32.833 31.700 -0.054 0.000 1.006 374 M N -0.448 119.141 119.600 -0.018 0.000 2.777 374 M HA 0.534 5.014 4.480 -0.000 0.000 0.307 374 M C 0.066 176.384 176.300 0.030 0.000 1.228 374 M CA -0.885 54.432 55.300 0.029 0.000 0.871 374 M CB 1.655 34.276 32.600 0.034 0.000 1.721 374 M HN 0.326 nan 8.290 nan 0.000 0.487 375 S N 0.735 116.461 115.700 0.043 0.000 2.600 375 S HA 0.485 4.955 4.470 -0.000 0.000 0.265 375 S C 1.097 175.713 174.600 0.027 0.000 1.325 375 S CA -0.193 58.027 58.200 0.034 0.000 1.002 375 S CB 1.060 64.282 63.200 0.038 0.000 0.921 375 S HN 0.886 nan 8.310 nan 0.000 0.554 376 A N 1.514 124.346 122.820 0.019 0.000 1.873 376 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 376 A C 1.896 179.490 177.584 0.017 0.000 1.193 376 A CA 1.989 54.034 52.037 0.013 0.000 0.629 376 A CB -1.308 17.698 19.000 0.009 0.000 0.826 376 A HN 0.923 nan 8.150 nan 0.000 0.447 377 D N -0.805 119.610 120.400 0.026 0.000 2.106 377 D HA -0.184 4.456 4.640 -0.000 0.000 0.191 377 D C 1.925 178.255 176.300 0.051 0.000 0.997 377 D CA 1.847 55.868 54.000 0.035 0.000 0.834 377 D CB -0.385 40.441 40.800 0.043 0.000 0.956 377 D HN 0.552 nan 8.370 nan 0.000 0.448 378 E N 0.692 120.934 120.200 0.069 0.000 2.058 378 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 378 E C 1.913 178.545 176.600 0.054 0.000 0.997 378 E CA 1.603 58.069 56.400 0.112 0.000 0.801 378 E CB -0.367 29.400 29.700 0.112 0.000 0.746 378 E HN 0.210 nan 8.360 nan 0.000 0.450 379 A N -0.261 122.569 122.820 0.017 0.000 1.930 379 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 379 A C 2.477 180.030 177.584 -0.053 0.000 1.175 379 A CA 1.527 53.550 52.037 -0.023 0.000 0.627 379 A CB -0.577 18.416 19.000 -0.013 0.000 0.815 379 A HN 0.200 nan 8.150 nan 0.000 0.443 380 V N -0.972 118.923 119.914 -0.032 0.000 2.358 380 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 380 V C 2.596 178.653 176.094 -0.062 0.000 1.047 380 V CA 1.981 64.259 62.300 -0.037 0.000 1.035 380 V CB -0.966 30.848 31.823 -0.015 0.000 0.658 380 V HN 0.705 nan 8.190 nan 0.000 0.452 381 C N 0.610 119.874 119.300 -0.062 0.000 2.435 381 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 381 C C 3.215 178.022 174.990 -0.305 0.000 1.321 381 C CA 1.252 60.222 59.018 -0.079 0.000 1.752 381 C CB -1.050 26.732 27.740 0.070 0.000 1.959 381 C HN 0.769 nan 8.230 nan 0.000 0.500 382 S N 0.557 115.925 115.700 -0.554 0.000 2.371 382 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 382 S C 1.772 176.266 174.600 -0.177 0.000 1.029 382 S CA 1.734 59.480 58.200 -0.757 0.000 0.978 382 S CB -0.608 62.161 63.200 -0.719 0.000 0.833 382 S HN 0.542 nan 8.310 nan 0.000 0.466 383 S N 2.259 117.888 115.700 -0.118 0.000 2.383 383 S HA 0.141 4.611 4.470 -0.000 0.000 0.227 383 S C 2.305 176.880 174.600 -0.041 0.000 1.026 383 S CA 0.980 59.158 58.200 -0.037 0.000 0.981 383 S CB -0.776 62.401 63.200 -0.038 0.000 0.818 383 S HN 0.771 nan 8.310 nan 0.000 0.472 384 A N 0.986 123.766 122.820 -0.067 0.000 1.902 384 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 384 A C 2.269 179.806 177.584 -0.078 0.000 1.181 384 A CA 1.444 53.443 52.037 -0.063 0.000 0.623 384 A CB -0.763 18.206 19.000 -0.052 0.000 0.818 384 A HN 0.358 nan 8.150 nan 0.000 0.443 385 V N 0.956 120.820 119.914 -0.083 0.000 2.667 385 V HA -0.208 3.912 4.120 -0.000 0.000 0.252 385 V C 2.332 178.285 176.094 -0.235 0.000 1.065 385 V CA 1.811 64.033 62.300 -0.130 0.000 1.083 385 V CB -1.015 30.794 31.823 -0.023 0.000 0.692 385 V HN 0.744 nan 8.190 nan 0.000 0.468 386 N N 0.331 118.960 118.700 -0.117 0.000 2.084 386 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 386 N C 1.957 177.467 175.510 -0.000 0.000 1.030 386 N CA 1.700 54.743 53.050 -0.012 0.000 0.849 386 N CB 0.050 38.660 38.487 0.204 0.000 1.012 386 N HN 0.423 nan 8.380 nan 0.000 0.423 387 S N 0.302 115.981 115.700 -0.035 0.000 2.383 387 S HA -0.087 4.383 4.470 -0.000 0.000 0.229 387 S C 2.096 176.643 174.600 -0.089 0.000 1.030 387 S CA 0.780 58.943 58.200 -0.060 0.000 1.002 387 S CB -0.243 62.907 63.200 -0.083 0.000 0.829 387 S HN 0.189 nan 8.310 nan 0.000 0.467 388 V N 0.408 120.242 119.914 -0.132 0.000 2.295 388 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 388 V C 1.915 177.874 176.094 -0.224 0.000 1.049 388 V CA 1.714 63.890 62.300 -0.207 0.000 1.024 388 V CB -0.773 30.862 31.823 -0.313 0.000 0.648 388 V HN 0.486 nan 8.190 nan 0.000 0.447 389 Y N 0.554 120.765 120.300 -0.149 0.000 2.242 389 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 389 Y C 2.552 178.436 175.900 -0.027 0.000 1.137 389 Y CA 1.600 59.654 58.100 -0.075 0.000 1.181 389 Y CB -0.270 38.151 38.460 -0.064 0.000 0.989 389 Y HN 0.339 nan 8.280 nan 0.000 0.527 390 E N -0.737 119.527 120.200 0.107 0.000 2.031 390 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 390 E C 2.016 178.630 176.600 0.023 0.000 0.994 390 E CA 1.930 58.364 56.400 0.058 0.000 0.800 390 E CB -0.283 29.431 29.700 0.024 0.000 0.752 390 E HN 0.491 nan 8.360 nan 0.000 0.447 391 T N -1.540 113.000 114.554 -0.023 0.000 3.129 391 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 391 T C 0.490 175.268 174.700 0.130 0.000 1.117 391 T CA -0.148 61.950 62.100 -0.003 0.000 1.034 391 T CB 0.006 68.717 68.868 -0.261 0.000 0.968 391 T HN 0.017 nan 8.240 nan 0.000 0.526 392 K N 0.957 121.385 120.400 0.047 0.000 3.077 392 K HA -0.127 4.193 4.320 -0.000 0.000 0.264 392 K C 0.361 176.986 176.600 0.043 0.000 1.008 392 K CA 0.329 56.631 56.287 0.025 0.000 0.740 392 K CB -2.450 30.079 32.500 0.049 0.000 1.273 392 K HN 0.740 nan 8.250 nan 0.000 0.477 393 A N 1.068 123.902 122.820 0.023 0.000 2.466 393 A HA 0.104 4.424 4.320 -0.000 0.000 0.238 393 A C 0.944 178.504 177.584 -0.041 0.000 1.074 393 A CA 0.193 52.258 52.037 0.046 0.000 0.774 393 A CB 0.266 19.267 19.000 0.001 0.000 1.015 393 A HN 0.388 nan 8.150 nan 0.000 0.498 394 K N 0.238 120.624 120.400 -0.024 0.000 2.399 394 K HA 0.471 4.791 4.320 -0.000 0.000 0.204 394 K C -0.153 176.391 176.600 -0.094 0.000 1.023 394 K CA 0.757 57.004 56.287 -0.066 0.000 1.127 394 K CB 0.398 32.880 32.500 -0.030 0.000 0.856 394 K HN 0.844 nan 8.250 nan 0.000 0.514 395 A N 0.723 123.493 122.820 -0.084 0.000 2.569 395 A HA 0.573 4.893 4.320 -0.000 0.000 0.292 395 A C -1.717 175.832 177.584 -0.057 0.000 1.032 395 A CA -0.816 51.169 52.037 -0.088 0.000 0.669 395 A CB 1.029 20.040 19.000 0.018 0.000 1.290 395 A HN 0.057 nan 8.150 nan 0.000 0.422 396 M N 1.202 120.771 119.600 -0.053 0.000 2.457 396 M HA 0.534 5.014 4.480 -0.000 0.000 0.300 396 M C -1.371 174.933 176.300 0.006 0.000 1.141 396 M CA -0.812 54.469 55.300 -0.032 0.000 0.901 396 M CB 2.241 34.810 32.600 -0.053 0.000 1.687 396 M HN 0.438 nan 8.290 nan 0.000 0.449 397 V N 3.769 123.690 119.914 0.011 0.000 2.407 397 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 397 V C -0.615 175.481 176.094 0.004 0.000 1.018 397 V CA -0.694 61.619 62.300 0.021 0.000 0.842 397 V CB 1.879 33.719 31.823 0.028 0.000 0.996 397 V HN 0.623 nan 8.190 nan 0.000 0.426 398 V N 6.343 126.261 119.914 0.006 0.000 2.384 398 V HA 0.435 4.555 4.120 -0.000 0.000 0.287 398 V C -0.047 176.044 176.094 -0.005 0.000 1.020 398 V CA -0.578 61.723 62.300 0.001 0.000 0.850 398 V CB 1.743 33.573 31.823 0.012 0.000 0.987 398 V HN 0.609 nan 8.190 nan 0.000 0.436 399 L N 4.243 125.457 121.223 -0.016 0.000 2.268 399 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 399 L C 0.272 177.137 176.870 -0.009 0.000 1.064 399 L CA 0.377 55.201 54.840 -0.027 0.000 0.824 399 L CB 1.129 43.157 42.059 -0.052 0.000 1.202 399 L HN 0.718 nan 8.230 nan 0.000 0.433 400 S N 2.524 118.227 115.700 0.004 0.000 2.614 400 S HA 0.351 4.821 4.470 -0.000 0.000 0.288 400 S C 0.384 175.002 174.600 0.029 0.000 1.137 400 S CA -0.679 57.530 58.200 0.016 0.000 0.992 400 S CB 1.328 64.541 63.200 0.021 0.000 1.026 400 S HN 0.693 nan 8.310 nan 0.000 0.486 401 N N 1.579 120.298 118.700 0.032 0.000 2.368 401 N HA -0.011 4.729 4.740 -0.000 0.000 0.176 401 N C 1.619 177.155 175.510 0.045 0.000 1.021 401 N CA 1.084 54.163 53.050 0.049 0.000 0.888 401 N CB 0.201 38.717 38.487 0.049 0.000 0.995 401 N HN 0.736 nan 8.380 nan 0.000 0.437 402 T N -3.734 110.839 114.554 0.032 0.000 3.044 402 T HA 0.326 4.676 4.350 -0.000 0.000 0.250 402 T C 1.541 176.254 174.700 0.023 0.000 1.081 402 T CA 0.490 62.605 62.100 0.025 0.000 1.040 402 T CB 0.550 69.429 68.868 0.019 0.000 0.962 402 T HN 0.226 nan 8.240 nan 0.000 0.506 403 G N 1.568 110.384 108.800 0.026 0.000 2.175 403 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 403 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 403 G C 0.978 175.893 174.900 0.025 0.000 0.982 403 G CA 0.398 45.512 45.100 0.024 0.000 0.641 403 G HN 0.522 nan 8.290 nan 0.000 0.527 404 R N 0.689 121.204 120.500 0.025 0.000 2.073 404 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 404 R C 2.682 179.003 176.300 0.035 0.000 1.134 404 R CA 2.103 58.219 56.100 0.027 0.000 0.952 404 R CB -0.399 29.916 30.300 0.024 0.000 0.850 404 R HN 0.440 nan 8.270 nan 0.000 0.433 405 S N 0.416 116.137 115.700 0.034 0.000 2.355 405 S HA -0.120 4.350 4.470 -0.000 0.000 0.222 405 S C 2.000 176.629 174.600 0.048 0.000 1.031 405 S CA 1.152 59.377 58.200 0.042 0.000 0.993 405 S CB -0.204 63.015 63.200 0.031 0.000 0.859 405 S HN 0.519 nan 8.310 nan 0.000 0.453 406 A N 1.591 124.434 122.820 0.038 0.000 1.908 406 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 406 A C 2.112 179.724 177.584 0.046 0.000 1.181 406 A CA 1.772 53.833 52.037 0.039 0.000 0.627 406 A CB -0.499 18.519 19.000 0.030 0.000 0.818 406 A HN 0.394 nan 8.150 nan 0.000 0.445 407 R N -1.397 119.128 120.500 0.041 0.000 2.115 407 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 407 R C 1.970 178.300 176.300 0.051 0.000 1.100 407 R CA 1.128 57.250 56.100 0.038 0.000 0.980 407 R CB -0.280 30.036 30.300 0.027 0.000 0.875 407 R HN 0.466 nan 8.270 nan 0.000 0.445 408 L N -0.155 121.111 121.223 0.071 0.000 2.109 408 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 408 L C 1.810 178.799 176.870 0.197 0.000 1.086 408 L CA 1.444 56.350 54.840 0.111 0.000 0.760 408 L CB -0.229 41.901 42.059 0.119 0.000 0.910 408 L HN -0.048 nan 8.230 nan 0.000 0.437 409 V N 0.084 120.098 119.914 0.166 0.000 2.307 409 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 409 V C 2.772 178.980 176.094 0.191 0.000 1.045 409 V CA 1.529 63.945 62.300 0.194 0.000 1.024 409 V CB -1.311 30.571 31.823 0.098 0.000 0.651 409 V HN 0.561 nan 8.190 nan 0.000 0.449 410 A N -0.294 122.592 122.820 0.111 0.000 2.024 410 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 410 A C 2.318 179.943 177.584 0.069 0.000 1.164 410 A CA 2.080 54.161 52.037 0.074 0.000 0.643 410 A CB -0.515 18.509 19.000 0.041 0.000 0.806 410 A HN 0.561 nan 8.150 nan 0.000 0.451 411 K N -1.451 118.984 120.400 0.058 0.000 2.097 411 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 411 K C 1.348 177.909 176.600 -0.065 0.000 1.049 411 K CA 1.575 57.836 56.287 -0.044 0.000 0.933 411 K CB -0.305 32.106 32.500 -0.148 0.000 0.717 411 K HN 0.544 nan 8.250 nan 0.000 0.442 412 Y N 1.040 121.426 120.300 0.144 0.000 2.616 412 Y HA 0.088 4.638 4.550 -0.000 0.000 0.296 412 Y C -0.056 176.027 175.900 0.304 0.000 1.154 412 Y CA 0.397 58.653 58.100 0.260 0.000 1.325 412 Y CB 0.225 38.889 38.460 0.341 0.000 1.007 412 Y HN -0.013 nan 8.280 nan 0.000 0.542 413 R N -0.924 119.732 120.500 0.261 0.000 2.994 413 R HA -0.148 4.191 4.340 -0.000 0.000 0.267 413 R C -3.062 173.366 176.300 0.213 0.000 0.914 413 R CA 0.062 56.261 56.100 0.166 0.000 0.668 413 R CB -1.996 28.370 30.300 0.111 0.000 1.524 413 R HN 0.238 nan 8.270 nan 0.000 0.478 414 P HA 0.063 nan 4.420 nan 0.000 0.277 414 P C 0.298 177.484 177.300 -0.190 0.000 1.240 414 P CA -0.453 62.561 63.100 -0.143 0.000 0.798 414 P CB 0.479 32.073 31.700 -0.176 0.000 0.979 415 N N 0.957 119.411 118.700 -0.410 0.000 2.623 415 N HA 0.097 4.837 4.740 -0.000 0.000 0.263 415 N C -0.577 174.784 175.510 -0.249 0.000 1.218 415 N CA -0.432 52.489 53.050 -0.215 0.000 0.949 415 N CB -1.134 37.279 38.487 -0.123 0.000 1.270 415 N HN 0.408 nan 8.380 nan 0.000 0.507 416 C N -3.569 115.557 119.300 -0.290 0.000 3.285 416 C HA 0.689 5.149 4.460 -0.000 0.000 0.325 416 C C -3.084 171.636 174.990 -0.450 0.000 1.304 416 C CA -1.881 56.914 59.018 -0.372 0.000 1.319 416 C CB 1.168 28.723 27.740 -0.308 0.000 1.640 416 C HN 0.057 nan 8.230 nan 0.000 0.477 417 P HA 0.372 nan 4.420 nan 0.000 0.267 417 P C -0.749 176.369 177.300 -0.303 0.000 1.200 417 P CA 0.364 63.012 63.100 -0.753 0.000 0.772 417 P CB 0.282 31.149 31.700 -1.389 0.000 0.855 418 I N 2.208 122.713 120.570 -0.108 0.000 2.378 418 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 418 I C -0.461 175.688 176.117 0.054 0.000 0.992 418 I CA -0.894 60.394 61.300 -0.020 0.000 1.154 418 I CB 1.800 39.804 38.000 0.007 0.000 1.315 418 I HN -0.050 nan 8.210 nan 0.000 0.448 419 V N 5.775 125.731 119.914 0.069 0.000 2.378 419 V HA 0.234 4.354 4.120 -0.000 0.000 0.288 419 V C -0.338 175.772 176.094 0.027 0.000 1.016 419 V CA -0.594 61.761 62.300 0.092 0.000 0.840 419 V CB 1.634 33.574 31.823 0.194 0.000 0.994 419 V HN 0.862 nan 8.190 nan 0.000 0.431 420 C N 6.732 126.028 119.300 -0.006 0.000 2.295 420 C HA 0.752 5.212 4.460 -0.000 0.000 0.331 420 C C 0.002 174.979 174.990 -0.021 0.000 1.280 420 C CA -0.217 58.798 59.018 -0.005 0.000 1.746 420 C CB 0.370 28.114 27.740 0.007 0.000 2.328 420 C HN 0.697 nan 8.230 nan 0.000 0.521 421 V N 7.257 127.166 119.914 -0.008 0.000 2.347 421 V HA 0.520 4.640 4.120 -0.000 0.000 0.280 421 V C 0.359 176.472 176.094 0.031 0.000 1.021 421 V CA -0.021 62.280 62.300 0.003 0.000 0.847 421 V CB 1.510 33.314 31.823 -0.030 0.000 0.990 421 V HN 1.029 nan 8.190 nan 0.000 0.444 422 T N 1.406 116.019 114.554 0.099 0.000 2.924 422 T HA 0.391 4.741 4.350 -0.000 0.000 0.291 422 T C 0.908 175.754 174.700 0.243 0.000 1.045 422 T CA -0.111 62.075 62.100 0.143 0.000 1.015 422 T CB 1.803 70.765 68.868 0.156 0.000 1.103 422 T HN 0.728 nan 8.240 nan 0.000 0.496 423 T N -1.441 113.252 114.554 0.231 0.000 3.069 423 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 423 T C 0.485 175.445 174.700 0.434 0.000 1.053 423 T CA -0.303 61.968 62.100 0.285 0.000 0.964 423 T CB -0.003 68.990 68.868 0.208 0.000 1.005 423 T HN 0.411 nan 8.240 nan 0.000 0.532 424 R N 0.596 121.293 120.500 0.328 0.000 2.393 424 R HA 0.486 4.826 4.340 -0.000 0.000 0.315 424 R C 0.069 176.397 176.300 0.046 0.000 0.952 424 R CA -0.813 55.395 56.100 0.180 0.000 0.842 424 R CB 1.515 31.869 30.300 0.089 0.000 1.163 424 R HN -0.040 nan 8.270 nan 0.000 0.450 425 L N 2.824 123.913 121.223 -0.224 0.000 2.201 425 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 425 L C 2.257 179.009 176.870 -0.197 0.000 1.105 425 L CA 1.837 56.419 54.840 -0.430 0.000 0.775 425 L CB -0.431 41.220 42.059 -0.680 0.000 0.913 425 L HN 0.665 nan 8.230 nan 0.000 0.440 426 Q N -1.788 117.939 119.800 -0.121 0.000 2.230 426 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 426 Q C 1.765 177.736 176.000 -0.047 0.000 0.963 426 Q CA 1.683 57.437 55.803 -0.081 0.000 0.866 426 Q CB 0.113 28.813 28.738 -0.064 0.000 0.931 426 Q HN 0.419 nan 8.270 nan 0.000 0.452 427 T N -0.436 114.104 114.554 -0.023 0.000 2.821 427 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 427 T C 1.798 176.497 174.700 -0.002 0.000 1.046 427 T CA 1.164 63.265 62.100 0.002 0.000 1.139 427 T CB -0.341 68.545 68.868 0.030 0.000 0.871 427 T HN 0.426 nan 8.240 nan 0.000 0.454 428 C N 1.292 120.584 119.300 -0.013 0.000 2.425 428 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 428 C C 2.860 177.835 174.990 -0.025 0.000 1.280 428 C CA 0.469 59.477 59.018 -0.016 0.000 1.744 428 C CB -0.927 26.793 27.740 -0.033 0.000 1.989 428 C HN 0.536 nan 8.230 nan 0.000 0.491 429 R N 0.182 120.657 120.500 -0.042 0.000 2.075 429 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 429 R C 2.323 178.612 176.300 -0.020 0.000 1.114 429 R CA 1.049 57.127 56.100 -0.037 0.000 0.972 429 R CB -0.363 29.902 30.300 -0.058 0.000 0.869 429 R HN 0.648 nan 8.270 nan 0.000 0.437 430 Q N 0.596 120.386 119.800 -0.017 0.000 2.167 430 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 430 Q C 1.904 177.910 176.000 0.010 0.000 0.970 430 Q CA 0.936 56.738 55.803 -0.002 0.000 0.855 430 Q CB 0.024 28.759 28.738 -0.004 0.000 0.911 430 Q HN 0.328 nan 8.270 nan 0.000 0.438 431 L N 0.991 122.219 121.223 0.008 0.000 2.622 431 L HA -0.080 4.260 4.340 -0.000 0.000 0.233 431 L C 1.204 178.085 176.870 0.017 0.000 1.156 431 L CA -0.058 54.791 54.840 0.015 0.000 0.866 431 L CB -0.173 41.895 42.059 0.016 0.000 0.980 431 L HN 0.189 nan 8.230 nan 0.000 0.448 432 N N 0.623 119.332 118.700 0.016 0.000 2.520 432 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 432 N C 1.521 177.046 175.510 0.025 0.000 1.068 432 N CA 0.891 53.952 53.050 0.019 0.000 0.911 432 N CB 0.050 38.546 38.487 0.016 0.000 0.961 432 N HN 0.552 nan 8.380 nan 0.000 0.446 433 I N -4.086 116.502 120.570 0.029 0.000 4.018 433 I HA 0.251 4.421 4.170 -0.000 0.000 0.337 433 I C -0.310 175.814 176.117 0.011 0.000 1.327 433 I CA -0.029 61.289 61.300 0.029 0.000 1.100 433 I CB 0.200 38.232 38.000 0.053 0.000 1.025 433 I HN -0.298 nan 8.210 nan 0.000 0.396 434 T N 3.383 117.944 114.554 0.012 0.000 2.749 434 T HA 0.167 4.517 4.350 -0.000 0.000 0.287 434 T C -0.110 174.593 174.700 0.005 0.000 0.970 434 T CA -0.269 61.836 62.100 0.007 0.000 0.980 434 T CB 1.197 70.074 68.868 0.015 0.000 0.924 434 T HN 0.277 nan 8.240 nan 0.000 0.456 435 Q N 2.246 122.041 119.800 -0.009 0.000 2.361 435 Q HA 0.189 4.529 4.340 -0.000 0.000 0.276 435 Q C 1.068 177.075 176.000 0.012 0.000 1.022 435 Q CA 1.151 56.944 55.803 -0.016 0.000 0.898 435 Q CB 0.325 29.036 28.738 -0.046 0.000 1.246 435 Q HN 1.059 nan 8.270 nan 0.000 0.410 436 G N 2.351 111.174 108.800 0.040 0.000 2.155 436 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.257 436 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.257 436 G C -0.242 174.746 174.900 0.146 0.000 0.983 436 G CA 0.330 45.511 45.100 0.134 0.000 0.676 436 G HN 0.576 nan 8.290 nan 0.000 0.528 437 V N -0.511 119.467 119.914 0.105 0.000 2.815 437 V HA 0.792 4.912 4.120 -0.000 0.000 0.314 437 V C -0.004 176.159 176.094 0.115 0.000 1.064 437 V CA -0.832 61.526 62.300 0.096 0.000 0.952 437 V CB 2.082 33.937 31.823 0.054 0.000 1.020 437 V HN 0.335 nan 8.190 nan 0.000 0.439 438 E N 0.889 121.157 120.200 0.114 0.000 2.290 438 E HA 0.526 4.876 4.350 -0.000 0.000 0.274 438 E C -1.445 175.125 176.600 -0.050 0.000 0.889 438 E CA -0.465 55.993 56.400 0.095 0.000 0.760 438 E CB 2.375 32.248 29.700 0.288 0.000 1.206 438 E HN 0.660 nan 8.360 nan 0.000 0.419 439 S N 1.178 116.821 115.700 -0.095 0.000 2.565 439 S HA 0.513 4.983 4.470 -0.000 0.000 0.290 439 S C -0.523 173.933 174.600 -0.239 0.000 1.150 439 S CA -0.724 57.403 58.200 -0.122 0.000 1.058 439 S CB 1.532 64.714 63.200 -0.030 0.000 1.032 439 S HN 0.237 nan 8.310 nan 0.000 0.510 440 V N 3.562 123.363 119.914 -0.187 0.000 2.407 440 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 440 V C -0.810 175.333 176.094 0.082 0.000 1.018 440 V CA -0.739 61.469 62.300 -0.153 0.000 0.842 440 V CB 1.054 32.752 31.823 -0.208 0.000 0.996 440 V HN 0.834 nan 8.190 nan 0.000 0.426 441 F N 6.224 126.162 119.950 -0.020 0.000 2.438 441 F HA 0.541 5.068 4.527 -0.000 0.000 0.356 441 F C -0.653 175.205 175.800 0.097 0.000 1.099 441 F CA -1.325 56.695 58.000 0.034 0.000 1.185 441 F CB 0.747 39.749 39.000 0.003 0.000 1.115 441 F HN 0.431 nan 8.300 nan 0.000 0.526 442 F N 6.720 126.310 119.950 -0.600 0.000 2.347 442 F HA 0.260 4.787 4.527 -0.000 0.000 0.366 442 F C -0.126 175.108 175.800 -0.944 0.000 1.107 442 F CA -0.866 56.782 58.000 -0.586 0.000 1.058 442 F CB 0.196 39.051 39.000 -0.241 0.000 1.236 442 F HN 0.385 nan 8.300 nan 0.000 0.456 443 D N 5.198 124.792 120.400 -1.343 0.000 2.367 443 D HA 0.171 4.811 4.640 -0.000 0.000 0.255 443 D C 1.076 177.040 176.300 -0.560 0.000 1.300 443 D CA 0.404 53.863 54.000 -0.902 0.000 0.959 443 D CB 1.334 41.801 40.800 -0.554 0.000 1.064 443 D HN 0.723 nan 8.370 nan 0.000 0.509 444 A N 3.881 126.575 122.820 -0.210 0.000 2.019 444 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 444 A C 1.708 179.278 177.584 -0.024 0.000 1.164 444 A CA 1.096 53.135 52.037 0.002 0.000 0.644 444 A CB 0.046 19.155 19.000 0.182 0.000 0.805 444 A HN 0.440 nan 8.150 nan 0.000 0.449 445 D N -0.486 119.897 120.400 -0.028 0.000 2.234 445 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 445 D C 0.924 177.178 176.300 -0.076 0.000 0.962 445 D CA 1.032 55.026 54.000 -0.010 0.000 0.855 445 D CB -0.005 40.811 40.800 0.027 0.000 0.951 445 D HN 0.475 nan 8.370 nan 0.000 0.500 446 K N -0.173 120.138 120.400 -0.148 0.000 2.758 446 K HA 0.366 4.686 4.320 -0.000 0.000 0.208 446 K C 0.572 177.025 176.600 -0.245 0.000 1.091 446 K CA 0.028 56.217 56.287 -0.163 0.000 1.059 446 K CB 1.337 33.758 32.500 -0.132 0.000 0.801 446 K HN -0.010 nan 8.250 nan 0.000 0.470 447 L N -1.599 119.452 121.223 -0.286 0.000 3.610 447 L HA 0.197 4.537 4.340 -0.000 0.000 0.362 447 L C 0.368 177.087 176.870 -0.251 0.000 1.003 447 L CA -0.152 54.485 54.840 -0.339 0.000 1.443 447 L CB 1.380 43.061 42.059 -0.630 0.000 2.184 447 L HN 0.336 nan 8.230 nan 0.000 0.613 448 G N -0.658 108.007 108.800 -0.224 0.000 2.406 448 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.680 448 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.680 448 G C -0.471 174.364 174.900 -0.109 0.000 1.338 448 G CA -0.518 44.417 45.100 -0.274 0.000 0.941 448 G HN 0.096 nan 8.290 nan 0.000 0.633 449 H N 0.273 119.392 119.070 0.081 0.000 2.556 449 H HA 0.085 4.641 4.556 -0.000 0.000 0.268 449 H C 1.510 176.897 175.328 0.099 0.000 0.996 449 H CA 0.867 56.969 56.048 0.090 0.000 1.157 449 H CB -0.021 29.773 29.762 0.053 0.000 1.355 449 H HN 0.755 nan 8.280 nan 0.000 0.597 450 D N 2.341 122.846 120.400 0.174 0.000 2.764 450 D HA -0.199 4.441 4.640 -0.000 0.000 0.223 450 D C -0.484 175.868 176.300 0.086 0.000 1.207 450 D CA 0.442 54.533 54.000 0.153 0.000 0.614 450 D CB -1.248 39.622 40.800 0.117 0.000 1.007 450 D HN 0.682 nan 8.370 nan 0.000 0.407 451 E N -0.571 119.687 120.200 0.097 0.000 2.341 451 E HA 0.361 4.711 4.350 -0.000 0.000 0.256 451 E C 1.461 178.080 176.600 0.032 0.000 1.125 451 E CA 0.117 56.552 56.400 0.059 0.000 0.939 451 E CB 0.483 30.224 29.700 0.068 0.000 0.991 451 E HN 0.380 nan 8.360 nan 0.000 0.458 452 G N 3.388 112.190 108.800 0.002 0.000 2.485 452 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.181 452 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.181 452 G C 0.428 175.299 174.900 -0.049 0.000 0.999 452 G CA -0.288 44.801 45.100 -0.018 0.000 0.721 452 G HN 0.403 nan 8.290 nan 0.000 0.486 453 K N -0.130 120.233 120.400 -0.062 0.000 3.274 453 K HA -0.269 4.051 4.320 -0.000 0.000 0.305 453 K C 1.087 177.604 176.600 -0.139 0.000 1.225 453 K CA 1.757 57.975 56.287 -0.115 0.000 0.904 453 K CB -1.451 30.991 32.500 -0.096 0.000 1.227 453 K HN 0.678 nan 8.250 nan 0.000 0.453 454 E N 0.355 120.468 120.200 -0.146 0.000 2.038 454 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 454 E C 1.557 178.013 176.600 -0.241 0.000 1.000 454 E CA 1.880 58.149 56.400 -0.218 0.000 0.803 454 E CB -0.067 29.443 29.700 -0.317 0.000 0.750 454 E HN 0.707 nan 8.360 nan 0.000 0.448 455 H N -0.588 118.429 119.070 -0.089 0.000 2.389 455 H HA 0.022 4.578 4.556 -0.000 0.000 0.299 455 H C 2.268 177.498 175.328 -0.162 0.000 1.081 455 H CA 1.443 57.463 56.048 -0.047 0.000 1.345 455 H CB 0.077 29.896 29.762 0.096 0.000 1.393 455 H HN 0.057 nan 8.280 nan 0.000 0.520 456 R N 0.036 120.329 120.500 -0.345 0.000 2.075 456 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 456 R C 2.241 178.447 176.300 -0.157 0.000 1.126 456 R CA 1.216 57.046 56.100 -0.450 0.000 0.963 456 R CB -0.237 29.709 30.300 -0.590 0.000 0.858 456 R HN 0.148 nan 8.270 nan 0.000 0.435 457 V N 1.028 120.870 119.914 -0.120 0.000 2.343 457 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 457 V C 2.434 178.521 176.094 -0.011 0.000 1.051 457 V CA 2.010 64.276 62.300 -0.056 0.000 1.036 457 V CB -0.739 31.049 31.823 -0.059 0.000 0.654 457 V HN 0.415 nan 8.190 nan 0.000 0.451 458 A N 0.002 122.817 122.820 -0.008 0.000 1.902 458 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 458 A C 2.434 180.064 177.584 0.077 0.000 1.181 458 A CA 2.146 54.202 52.037 0.033 0.000 0.623 458 A CB -0.783 18.240 19.000 0.039 0.000 0.818 458 A HN 0.577 nan 8.150 nan 0.000 0.443 459 A N -0.498 122.381 122.820 0.098 0.000 1.902 459 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 459 A C 2.427 180.096 177.584 0.142 0.000 1.181 459 A CA 1.949 54.072 52.037 0.142 0.000 0.623 459 A CB -1.401 17.718 19.000 0.198 0.000 0.818 459 A HN 0.738 nan 8.150 nan 0.000 0.443 460 G N -0.658 108.200 108.800 0.098 0.000 2.418 460 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.217 460 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.217 460 G C 1.479 176.483 174.900 0.174 0.000 1.158 460 G CA 1.259 46.431 45.100 0.121 0.000 0.771 460 G HN 0.331 nan 8.290 nan 0.000 0.545 461 V N 0.763 120.747 119.914 0.117 0.000 2.427 461 V HA -0.104 4.016 4.120 -0.000 0.000 0.248 461 V C 2.631 178.789 176.094 0.105 0.000 1.051 461 V CA 2.097 64.458 62.300 0.103 0.000 1.048 461 V CB -0.154 31.705 31.823 0.060 0.000 0.666 461 V HN 0.437 nan 8.190 nan 0.000 0.456 462 E N 0.348 120.615 120.200 0.112 0.000 2.106 462 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 462 E C 1.874 178.532 176.600 0.098 0.000 0.984 462 E CA 1.410 57.863 56.400 0.089 0.000 0.806 462 E CB -0.459 29.296 29.700 0.092 0.000 0.750 462 E HN 0.536 nan 8.360 nan 0.000 0.458 463 F N 0.510 120.478 119.950 0.031 0.000 2.113 463 F HA -0.031 4.496 4.527 -0.000 0.000 0.297 463 F C 2.067 177.864 175.800 -0.006 0.000 1.103 463 F CA 1.691 59.706 58.000 0.025 0.000 1.248 463 F CB -0.660 38.380 39.000 0.066 0.000 0.999 463 F HN 0.107 nan 8.300 nan 0.000 0.475 464 A N 0.218 123.131 122.820 0.156 0.000 1.902 464 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 464 A C 2.308 179.827 177.584 -0.107 0.000 1.181 464 A CA 1.907 54.012 52.037 0.114 0.000 0.623 464 A CB -0.870 18.279 19.000 0.249 0.000 0.818 464 A HN 0.471 nan 8.150 nan 0.000 0.443 465 K N 0.260 120.626 120.400 -0.057 0.000 2.057 465 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 465 K C 2.314 178.815 176.600 -0.165 0.000 1.049 465 K CA 1.838 58.076 56.287 -0.081 0.000 0.931 465 K CB -0.208 32.274 32.500 -0.030 0.000 0.714 465 K HN 0.606 nan 8.250 nan 0.000 0.440 466 S N 0.261 115.837 115.700 -0.207 0.000 2.402 466 S HA -0.031 4.439 4.470 -0.000 0.000 0.229 466 S C 1.618 175.983 174.600 -0.393 0.000 1.021 466 S CA 0.655 58.708 58.200 -0.246 0.000 0.974 466 S CB -0.040 63.034 63.200 -0.209 0.000 0.800 466 S HN 0.157 nan 8.310 nan 0.000 0.484 467 K N 1.075 121.086 120.400 -0.648 0.000 2.525 467 K HA 0.179 4.499 4.320 -0.000 0.000 0.192 467 K C 1.402 177.545 176.600 -0.762 0.000 1.029 467 K CA 0.644 56.399 56.287 -0.887 0.000 1.029 467 K CB -0.696 30.875 32.500 -1.548 0.000 0.814 467 K HN 0.666 nan 8.250 nan 0.000 0.503 468 G N 1.122 109.642 108.800 -0.466 0.000 2.143 468 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 468 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 468 G C 0.545 175.379 174.900 -0.109 0.000 0.991 468 G CA 0.397 45.355 45.100 -0.237 0.000 0.689 468 G HN 0.213 nan 8.290 nan 0.000 0.522 469 Y N -0.352 119.903 120.300 -0.075 0.000 2.206 469 Y HA 0.320 4.869 4.550 -0.000 0.000 0.292 469 Y C 1.919 177.780 175.900 -0.065 0.000 1.123 469 Y CA 0.686 58.739 58.100 -0.078 0.000 1.142 469 Y CB -0.494 37.914 38.460 -0.086 0.000 1.006 469 Y HN 0.734 nan 8.280 nan 0.000 0.518 470 V N -0.618 119.354 119.914 0.096 0.000 2.914 470 V HA 0.690 4.810 4.120 -0.000 0.000 0.314 470 V C -0.844 175.249 176.094 -0.002 0.000 1.084 470 V CA -1.096 61.226 62.300 0.038 0.000 0.963 470 V CB 1.881 33.731 31.823 0.045 0.000 1.025 470 V HN 0.275 nan 8.190 nan 0.000 0.432 471 Q N 0.645 120.435 119.800 -0.015 0.000 2.683 471 Q HA 0.590 4.930 4.340 -0.000 0.000 0.302 471 Q C -0.725 175.256 176.000 -0.031 0.000 1.042 471 Q CA -0.931 54.857 55.803 -0.026 0.000 0.773 471 Q CB 1.414 30.134 28.738 -0.031 0.000 1.508 471 Q HN 0.662 nan 8.270 nan 0.000 0.459 472 T N 0.798 115.334 114.554 -0.031 0.000 2.866 472 T HA 0.320 4.670 4.350 -0.000 0.000 0.293 472 T C 1.061 175.728 174.700 -0.055 0.000 1.005 472 T CA 1.263 63.342 62.100 -0.035 0.000 1.162 472 T CB -0.036 68.815 68.868 -0.029 0.000 0.968 472 T HN 1.035 nan 8.240 nan 0.000 0.530 473 G N 2.934 111.693 108.800 -0.070 0.000 2.176 473 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.232 473 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.232 473 G C -0.195 174.587 174.900 -0.197 0.000 0.986 473 G CA -0.313 44.715 45.100 -0.119 0.000 0.643 473 G HN 0.677 nan 8.290 nan 0.000 0.522 474 D N -0.272 120.042 120.400 -0.143 0.000 2.253 474 D HA 0.564 5.204 4.640 -0.000 0.000 0.249 474 D C 0.001 176.234 176.300 -0.112 0.000 1.049 474 D CA -0.190 53.713 54.000 -0.161 0.000 0.929 474 D CB 0.608 41.368 40.800 -0.065 0.000 1.176 474 D HN 0.064 nan 8.370 nan 0.000 0.437 475 Y N 0.187 120.474 120.300 -0.022 0.000 2.299 475 Y HA 0.289 4.839 4.550 -0.000 0.000 0.326 475 Y C 0.470 176.352 175.900 -0.031 0.000 1.164 475 Y CA -0.957 57.127 58.100 -0.026 0.000 1.234 475 Y CB 1.160 39.600 38.460 -0.032 0.000 1.219 475 Y HN 0.189 nan 8.280 nan 0.000 0.497 476 C N 4.240 123.632 119.300 0.154 0.000 2.446 476 C HA 0.715 5.175 4.460 -0.000 0.000 0.329 476 C C -0.981 174.025 174.990 0.028 0.000 1.166 476 C CA -0.735 58.322 59.018 0.064 0.000 1.341 476 C CB -0.420 27.353 27.740 0.055 0.000 1.970 476 C HN 0.596 nan 8.230 nan 0.000 0.452 477 V N 7.148 127.057 119.914 -0.009 0.000 2.432 477 V HA 0.433 4.553 4.120 -0.000 0.000 0.271 477 V C 0.238 176.319 176.094 -0.022 0.000 1.046 477 V CA -0.094 62.187 62.300 -0.032 0.000 0.945 477 V CB 1.264 33.051 31.823 -0.060 0.000 0.992 477 V HN 0.726 nan 8.190 nan 0.000 0.471 478 V N 6.654 126.555 119.914 -0.021 0.000 2.630 478 V HA 0.631 4.751 4.120 -0.000 0.000 0.305 478 V C -0.029 176.052 176.094 -0.023 0.000 1.046 478 V CA -0.477 61.812 62.300 -0.018 0.000 0.934 478 V CB 1.938 33.751 31.823 -0.017 0.000 1.003 478 V HN 0.803 nan 8.190 nan 0.000 0.451 490 N N 1.312 120.009 118.700 -0.005 0.000 2.859 490 N HA 0.602 5.342 4.740 -0.000 0.000 0.250 490 N C -1.737 173.766 175.510 -0.011 0.000 1.341 490 N CA -0.112 52.934 53.050 -0.006 0.000 0.881 490 N CB 2.089 40.574 38.487 -0.004 0.000 1.516 490 N HN 0.929 nan 8.380 nan 0.000 0.503 491 Q N 1.251 121.042 119.800 -0.014 0.000 2.646 491 Q HA 0.269 4.609 4.340 -0.000 0.000 0.260 491 Q C -2.113 173.875 176.000 -0.021 0.000 0.975 491 Q CA -0.398 55.394 55.803 -0.018 0.000 0.936 491 Q CB 1.401 30.127 28.738 -0.020 0.000 1.591 491 Q HN 0.617 nan 8.270 nan 0.000 0.412 492 T N 3.275 117.814 114.554 -0.025 0.000 2.912 492 T HA 0.701 5.051 4.350 -0.000 0.000 0.299 492 T C -1.097 173.584 174.700 -0.033 0.000 1.052 492 T CA -0.713 61.369 62.100 -0.030 0.000 0.996 492 T CB 1.340 70.188 68.868 -0.033 0.000 1.070 492 T HN 0.462 nan 8.240 nan 0.000 0.465 493 R N 1.523 122.002 120.500 -0.035 0.000 2.740 493 R HA 0.636 4.976 4.340 -0.000 0.000 0.273 493 R C -1.180 175.094 176.300 -0.043 0.000 0.998 493 R CA -0.941 55.137 56.100 -0.036 0.000 0.900 493 R CB 2.285 32.569 30.300 -0.026 0.000 1.223 493 R HN 0.516 nan 8.270 nan 0.000 0.466 494 I N 3.682 124.220 120.570 -0.053 0.000 2.410 494 I HA 0.348 4.518 4.170 -0.000 0.000 0.286 494 I C -0.209 175.900 176.117 -0.013 0.000 1.009 494 I CA -0.603 60.654 61.300 -0.071 0.000 1.111 494 I CB 1.319 39.215 38.000 -0.174 0.000 1.262 494 I HN 0.296 nan 8.210 nan 0.000 0.443 495 L N 5.595 126.844 121.223 0.043 0.000 2.365 495 L HA 0.551 4.891 4.340 -0.000 0.000 0.267 495 L C -0.718 176.261 176.870 0.181 0.000 1.033 495 L CA -1.065 53.823 54.840 0.080 0.000 0.802 495 L CB 1.839 43.929 42.059 0.051 0.000 1.267 495 L HN 0.389 nan 8.230 nan 0.000 0.457 496 L N 1.036 122.336 121.223 0.128 0.000 2.316 496 L HA 0.387 4.727 4.340 -0.000 0.000 0.280 496 L C -0.480 176.414 176.870 0.039 0.000 1.006 496 L CA -0.336 54.564 54.840 0.100 0.000 0.836 496 L CB 1.614 43.719 42.059 0.075 0.000 1.221 496 L HN 0.164 nan 8.230 nan 0.000 0.418 497 V N 5.251 125.175 119.914 0.016 0.000 2.493 497 V HA 0.098 4.218 4.120 -0.000 0.000 0.292 497 V C 0.640 176.731 176.094 -0.005 0.000 1.016 497 V CA -0.096 62.208 62.300 0.007 0.000 1.097 497 V CB -0.177 31.647 31.823 0.001 0.000 0.947 497 V HN 0.755 nan 8.190 nan 0.000 0.479 498 E N 0.000 120.200 120.200 0.001 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 498 E CB 0.000 29.700 29.700 -0.001 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440