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 1asq_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP 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 0.000 174.586 174.600 -0.024 0.000 1.055 1 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 2 Q N 1.389 121.173 119.800 -0.027 0.000 2.195 2 Q HA 0.624 4.966 4.340 0.002 0.000 0.250 2 Q C -0.510 175.460 176.000 -0.049 0.000 0.988 2 Q CA -0.634 55.148 55.803 -0.034 0.000 0.911 2 Q CB 1.582 30.302 28.738 -0.029 0.000 1.258 2 Q HN 0.718 nan 8.270 nan 0.000 0.475 3 I N 2.155 122.692 120.570 -0.055 0.000 2.355 3 I HA 0.268 4.440 4.170 0.002 0.000 0.288 3 I C -0.100 175.968 176.117 -0.081 0.000 0.999 3 I CA -0.754 60.502 61.300 -0.073 0.000 1.163 3 I CB 0.930 38.897 38.000 -0.056 0.000 1.316 3 I HN 0.100 nan 8.210 nan 0.000 0.454 4 R N 4.995 125.431 120.500 -0.107 0.000 2.202 4 R HA 0.339 4.680 4.340 0.002 0.000 0.334 4 R C -0.708 175.458 176.300 -0.223 0.000 1.036 4 R CA -0.602 55.412 56.100 -0.143 0.000 0.878 4 R CB 0.757 31.042 30.300 -0.025 0.000 1.067 4 R HN 0.595 nan 8.270 nan 0.000 0.457 5 H N 1.906 120.715 119.070 -0.435 0.000 2.469 5 H HA 0.403 4.960 4.556 0.002 0.000 0.342 5 H C -1.087 173.807 175.328 -0.723 0.000 1.115 5 H CA -0.507 55.303 56.048 -0.397 0.000 1.204 5 H CB 0.873 30.504 29.762 -0.219 0.000 1.492 5 H HN 0.424 nan 8.280 nan 0.000 0.499 6 Y N 2.814 122.998 120.300 -0.194 0.000 2.409 6 Y HA 0.304 4.856 4.550 0.003 0.000 0.343 6 Y C -0.258 175.524 175.900 -0.197 0.000 0.973 6 Y CA -0.944 56.976 58.100 -0.301 0.000 1.064 6 Y CB 1.818 39.742 38.460 -0.894 0.000 1.207 6 Y HN 0.421 nan 8.280 nan 0.000 0.452 7 K N 3.400 123.860 120.400 0.100 0.000 2.483 7 K HA 0.343 4.664 4.320 0.002 0.000 0.256 7 K C -2.055 174.752 176.600 0.344 0.000 0.961 7 K CA -0.467 55.916 56.287 0.160 0.000 0.873 7 K CB 0.864 33.465 32.500 0.167 0.000 1.107 7 K HN 0.623 nan 8.250 nan 0.000 0.432 8 W N 1.949 123.302 121.300 0.088 0.000 2.844 8 W HA 0.410 5.071 4.660 0.002 0.000 0.340 8 W C -0.409 176.135 176.519 0.042 0.000 1.093 8 W CA -0.817 56.570 57.345 0.071 0.000 1.212 8 W CB 1.626 31.128 29.460 0.072 0.000 1.422 8 W HN 0.469 nan 8.180 nan 0.000 0.515 9 E N 1.267 121.591 120.200 0.206 0.000 2.210 9 E HA 0.491 4.842 4.350 0.002 0.000 0.266 9 E C -1.182 175.430 176.600 0.019 0.000 0.883 9 E CA -0.895 55.563 56.400 0.096 0.000 0.761 9 E CB 2.742 32.475 29.700 0.054 0.000 1.156 9 E HN -0.002 nan 8.360 nan 0.000 0.412 10 V N 2.751 122.667 119.914 0.003 0.000 2.370 10 V HA 0.398 4.519 4.120 0.002 0.000 0.279 10 V C -0.151 175.880 176.094 -0.106 0.000 1.029 10 V CA -0.361 61.897 62.300 -0.071 0.000 0.870 10 V CB 1.199 32.984 31.823 -0.064 0.000 0.984 10 V HN 0.721 nan 8.190 nan 0.000 0.451 11 E N 2.965 123.080 120.200 -0.141 0.000 2.352 11 E HA 0.489 4.840 4.350 0.002 0.000 0.280 11 E C -1.700 174.820 176.600 -0.133 0.000 0.930 11 E CA -0.695 55.632 56.400 -0.122 0.000 0.765 11 E CB 1.836 31.500 29.700 -0.059 0.000 1.219 11 E HN 0.525 nan 8.360 nan 0.000 0.434 12 Y N 2.671 122.940 120.300 -0.052 0.000 2.299 12 Y HA 0.383 4.934 4.550 0.002 0.000 0.335 12 Y C 0.618 176.453 175.900 -0.108 0.000 1.287 12 Y CA 0.237 58.292 58.100 -0.076 0.000 1.424 12 Y CB 0.912 39.327 38.460 -0.075 0.000 1.326 12 Y HN 0.493 nan 8.280 nan 0.000 0.567 13 M N 0.125 119.756 119.600 0.052 0.000 2.562 13 M HA 0.453 4.935 4.480 0.002 0.000 0.281 13 M C -2.091 174.156 176.300 -0.089 0.000 1.195 13 M CA -0.860 54.420 55.300 -0.033 0.000 0.888 13 M CB 1.439 34.079 32.600 0.066 0.000 1.731 13 M HN 0.245 nan 8.290 nan 0.000 0.493 14 F N 2.282 122.335 119.950 0.171 0.000 2.529 14 F HA 0.502 5.031 4.527 0.002 0.000 0.365 14 F C -0.104 175.859 175.800 0.272 0.000 1.102 14 F CA 0.831 58.925 58.000 0.156 0.000 1.271 14 F CB 0.554 39.605 39.000 0.086 0.000 1.120 14 F HN 0.499 nan 8.300 nan 0.000 0.579 15 W N 1.805 123.171 121.300 0.109 0.000 3.248 15 W HA 0.599 5.260 4.660 0.002 0.000 0.311 15 W C -1.746 174.740 176.519 -0.055 0.000 1.258 15 W CA -1.349 55.992 57.345 -0.006 0.000 1.191 15 W CB 2.108 31.490 29.460 -0.131 0.000 1.389 15 W HN 0.442 nan 8.180 nan 0.000 0.561 16 A N 5.196 127.674 122.820 -0.571 0.000 2.842 16 A HA 0.475 4.797 4.320 0.002 0.000 0.339 16 A C -2.103 175.286 177.584 -0.325 0.000 1.177 16 A CA -1.278 50.560 52.037 -0.332 0.000 0.797 16 A CB 0.907 19.734 19.000 -0.288 0.000 1.094 16 A HN 0.215 nan 8.150 nan 0.000 0.474 17 P HA -0.175 nan 4.420 nan 0.000 0.217 17 P C 0.679 177.923 177.300 -0.093 0.000 1.148 17 P CA 1.739 64.749 63.100 -0.150 0.000 0.828 17 P CB 0.023 31.340 31.700 -0.638 0.000 0.783 18 N N -2.926 115.712 118.700 -0.103 0.000 2.416 18 N HA 0.183 4.924 4.740 0.002 0.000 0.267 18 N C -0.555 174.982 175.510 0.045 0.000 1.294 18 N CA -0.416 52.659 53.050 0.041 0.000 0.891 18 N CB -0.397 38.203 38.487 0.188 0.000 1.238 18 N HN -0.147 nan 8.380 nan 0.000 0.508 19 c N 0.487 119.060 118.600 -0.044 0.000 4.397 19 c HA -0.156 4.416 4.570 0.002 0.000 0.291 19 c C -0.421 173.636 174.090 -0.055 0.000 1.408 19 c CA 0.154 56.445 56.329 -0.063 0.000 1.971 19 c CB -2.722 39.776 42.510 -0.019 0.000 1.258 19 c HN 0.672 nan 8.230 nan 0.000 0.795 20 N N 0.733 119.384 118.700 -0.081 0.000 2.399 20 N HA 0.285 5.026 4.740 0.002 0.000 0.280 20 N C -0.495 174.947 175.510 -0.112 0.000 1.008 20 N CA -0.286 52.683 53.050 -0.135 0.000 0.894 20 N CB 1.447 39.741 38.487 -0.321 0.000 1.273 20 N HN 0.601 nan 8.380 nan 0.000 0.486 21 E N 1.968 122.121 120.200 -0.078 0.000 2.360 21 E HA 0.094 4.446 4.350 0.002 0.000 0.269 21 E C -0.679 175.968 176.600 0.078 0.000 1.022 21 E CA 0.081 56.479 56.400 -0.003 0.000 0.887 21 E CB 0.600 30.294 29.700 -0.010 0.000 0.990 21 E HN 0.451 nan 8.360 nan 0.000 0.426 22 N N 2.384 121.198 118.700 0.190 0.000 3.277 22 N HA 0.327 5.068 4.740 0.002 0.000 0.278 22 N C -1.389 174.269 175.510 0.246 0.000 1.544 22 N CA -0.586 52.608 53.050 0.240 0.000 0.869 22 N CB 1.047 39.749 38.487 0.359 0.000 1.584 22 N HN 0.515 nan 8.380 nan 0.000 0.564 23 I N -1.022 119.632 120.570 0.141 0.000 2.460 23 I HA 0.691 4.862 4.170 0.002 0.000 0.298 23 I C -0.399 175.822 176.117 0.174 0.000 0.989 23 I CA -0.700 60.613 61.300 0.022 0.000 1.173 23 I CB 1.708 39.574 38.000 -0.223 0.000 1.338 23 I HN 0.035 nan 8.210 nan 0.000 0.456 24 V N 6.007 125.992 119.914 0.119 0.000 2.864 24 V HA 0.432 4.553 4.120 0.002 0.000 0.314 24 V C -0.220 175.918 176.094 0.072 0.000 1.073 24 V CA -0.950 61.358 62.300 0.013 0.000 0.956 24 V CB 2.293 33.877 31.823 -0.398 0.000 1.023 24 V HN 0.828 nan 8.190 nan 0.000 0.435 25 M N 3.353 122.942 119.600 -0.018 0.000 2.077 25 M HA 0.568 5.050 4.480 0.002 0.000 0.348 25 M C 0.181 176.384 176.300 -0.162 0.000 1.252 25 M CA -0.089 55.095 55.300 -0.194 0.000 1.096 25 M CB 0.448 32.875 32.600 -0.288 0.000 1.568 25 M HN 0.795 nan 8.290 nan 0.000 0.456 26 G N 5.071 113.772 108.800 -0.165 0.000 2.489 26 G HA2 0.737 4.698 3.960 0.002 0.000 0.327 26 G HA3 0.737 4.698 3.960 0.002 0.000 0.327 26 G C -1.108 173.678 174.900 -0.190 0.000 1.189 26 G CA -0.710 44.287 45.100 -0.172 0.000 0.962 26 G HN 0.742 nan 8.290 nan 0.000 0.486 27 I N 1.152 121.576 120.570 -0.244 0.000 2.389 27 I HA 0.192 4.363 4.170 0.002 0.000 0.288 27 I C -0.320 175.638 176.117 -0.265 0.000 0.999 27 I CA -0.771 60.343 61.300 -0.310 0.000 1.129 27 I CB 1.766 39.405 38.000 -0.602 0.000 1.288 27 I HN 0.448 nan 8.210 nan 0.000 0.444 28 N N 5.003 123.613 118.700 -0.150 0.000 2.710 28 N HA -0.207 4.534 4.740 0.002 0.000 0.249 28 N C 0.907 176.381 175.510 -0.060 0.000 1.059 28 N CA 1.415 54.428 53.050 -0.061 0.000 0.720 28 N CB -1.018 37.456 38.487 -0.021 0.000 0.983 28 N HN 1.151 nan 8.380 nan 0.000 0.544 29 G N -1.987 106.766 108.800 -0.078 0.000 2.162 29 G HA2 -0.326 3.635 3.960 0.002 0.000 0.260 29 G HA3 -0.326 3.635 3.960 0.002 0.000 0.260 29 G C -0.271 174.540 174.900 -0.148 0.000 0.976 29 G CA 0.504 45.564 45.100 -0.067 0.000 0.655 29 G HN 0.450 nan 8.290 nan 0.000 0.533 30 Q N -0.825 118.852 119.800 -0.205 0.000 2.274 30 Q HA 0.742 5.084 4.340 0.002 0.000 0.260 30 Q C -0.991 174.798 176.000 -0.351 0.000 0.974 30 Q CA -0.891 54.745 55.803 -0.279 0.000 0.876 30 Q CB 2.076 30.688 28.738 -0.211 0.000 1.297 30 Q HN 0.483 nan 8.270 nan 0.000 0.446 31 F N 2.880 122.429 119.950 -0.669 0.000 2.536 31 F HA 0.507 5.035 4.527 0.002 0.000 0.322 31 F C -2.452 173.086 175.800 -0.437 0.000 1.144 31 F CA -2.260 55.347 58.000 -0.654 0.000 0.924 31 F CB 1.334 39.742 39.000 -0.987 0.000 1.181 31 F HN 0.322 nan 8.300 nan 0.000 0.438 32 P HA 0.245 nan 4.420 nan 0.000 0.271 32 P C 0.035 177.061 177.300 -0.457 0.000 1.238 32 P CA -0.149 62.429 63.100 -0.870 0.000 0.794 32 P CB 0.442 31.795 31.700 -0.579 0.000 0.959 33 G N 0.807 109.398 108.800 -0.347 0.000 2.732 33 G HA2 0.242 4.203 3.960 0.002 0.000 0.244 33 G HA3 0.242 4.203 3.960 0.002 0.000 0.244 33 G C -2.373 172.447 174.900 -0.132 0.000 1.226 33 G CA -0.703 44.253 45.100 -0.240 0.000 0.860 33 G HN 0.347 nan 8.290 nan 0.000 0.583 34 P HA 0.164 nan 4.420 nan 0.000 0.269 34 P C 0.128 177.587 177.300 0.265 0.000 1.209 34 P CA 0.077 63.219 63.100 0.070 0.000 0.776 34 P CB 0.523 32.306 31.700 0.137 0.000 0.876 35 T N 3.519 118.210 114.554 0.229 0.000 2.851 35 T HA 0.301 4.653 4.350 0.002 0.000 0.298 35 T C 0.619 175.474 174.700 0.259 0.000 0.977 35 T CA -0.032 62.216 62.100 0.248 0.000 1.126 35 T CB -0.104 68.859 68.868 0.158 0.000 0.916 35 T HN 0.197 nan 8.240 nan 0.000 0.529 36 I N 3.226 123.930 120.570 0.223 0.000 2.396 36 I HA 0.490 4.662 4.170 0.002 0.000 0.292 36 I C 0.516 176.728 176.117 0.159 0.000 0.999 36 I CA -0.543 60.773 61.300 0.027 0.000 1.310 36 I CB 1.177 39.080 38.000 -0.162 0.000 1.404 36 I HN 0.392 nan 8.210 nan 0.000 0.496 37 R N 4.733 125.349 120.500 0.193 0.000 2.621 37 R HA 0.850 5.192 4.340 0.002 0.000 0.284 37 R C -1.653 174.735 176.300 0.146 0.000 0.998 37 R CA -0.338 55.859 56.100 0.162 0.000 0.895 37 R CB 2.025 32.413 30.300 0.148 0.000 1.195 37 R HN 0.791 nan 8.270 nan 0.000 0.450 38 A N 2.955 125.843 122.820 0.114 0.000 2.588 38 A HA 0.518 4.839 4.320 0.002 0.000 0.290 38 A C -1.600 176.026 177.584 0.069 0.000 1.136 38 A CA -1.013 51.071 52.037 0.079 0.000 0.681 38 A CB 1.679 20.709 19.000 0.050 0.000 1.282 38 A HN 0.826 nan 8.150 nan 0.000 0.421 39 N N -0.090 118.637 118.700 0.045 0.000 2.417 39 N HA 0.587 5.329 4.740 0.002 0.000 0.300 39 N C -0.151 175.380 175.510 0.036 0.000 1.102 39 N CA -0.311 52.765 53.050 0.043 0.000 0.886 39 N CB 1.851 40.354 38.487 0.027 0.000 1.203 39 N HN 0.957 nan 8.380 nan 0.000 0.496 40 A N 0.610 123.456 122.820 0.043 0.000 2.520 40 A HA 0.448 4.769 4.320 0.002 0.000 0.245 40 A C 1.379 178.971 177.584 0.014 0.000 1.072 40 A CA 0.814 52.871 52.037 0.034 0.000 0.761 40 A CB -0.789 18.237 19.000 0.044 0.000 1.004 40 A HN 0.974 nan 8.150 nan 0.000 0.499 41 G N 2.063 110.863 108.800 0.001 0.000 2.213 41 G HA2 -0.168 3.794 3.960 0.002 0.000 0.226 41 G HA3 -0.168 3.794 3.960 0.002 0.000 0.226 41 G C -0.098 174.788 174.900 -0.023 0.000 0.992 41 G CA 0.221 45.315 45.100 -0.010 0.000 0.632 41 G HN 0.790 nan 8.290 nan 0.000 0.511 42 D N 1.123 121.507 120.400 -0.027 0.000 2.339 42 D HA 0.575 5.217 4.640 0.002 0.000 0.245 42 D C 0.414 176.660 176.300 -0.091 0.000 1.115 42 D CA 0.292 54.262 54.000 -0.049 0.000 0.917 42 D CB 1.340 42.116 40.800 -0.040 0.000 1.192 42 D HN 0.128 nan 8.370 nan 0.000 0.428 43 S N 0.140 115.770 115.700 -0.117 0.000 2.554 43 S HA 0.451 4.923 4.470 0.002 0.000 0.278 43 S C -0.189 174.245 174.600 -0.277 0.000 1.242 43 S CA -0.778 57.310 58.200 -0.186 0.000 1.051 43 S CB 1.195 64.310 63.200 -0.141 0.000 0.986 43 S HN 0.140 nan 8.310 nan 0.000 0.502 44 V N 3.660 123.258 119.914 -0.526 0.000 2.459 44 V HA 0.493 4.615 4.120 0.002 0.000 0.295 44 V C -0.462 175.220 176.094 -0.688 0.000 1.029 44 V CA -0.612 61.298 62.300 -0.650 0.000 0.874 44 V CB 1.734 32.910 31.823 -1.078 0.000 0.985 44 V HN 0.643 nan 8.190 nan 0.000 0.438 45 V N 5.464 125.111 119.914 -0.446 0.000 2.444 45 V HA 0.500 4.621 4.120 0.002 0.000 0.294 45 V C -0.455 175.369 176.094 -0.451 0.000 1.022 45 V CA -0.517 61.549 62.300 -0.389 0.000 0.850 45 V CB 2.086 33.697 31.823 -0.353 0.000 0.992 45 V HN 0.611 nan 8.190 nan 0.000 0.426 46 V N 5.428 125.140 119.914 -0.337 0.000 2.376 46 V HA 0.399 4.521 4.120 0.002 0.000 0.287 46 V C -0.059 175.879 176.094 -0.260 0.000 1.015 46 V CA -0.728 61.363 62.300 -0.348 0.000 0.834 46 V CB 1.643 33.269 31.823 -0.329 0.000 1.001 46 V HN 1.005 nan 8.190 nan 0.000 0.428 47 E N 5.144 125.099 120.200 -0.409 0.000 2.146 47 E HA 0.627 4.978 4.350 0.002 0.000 0.282 47 E C -0.999 175.492 176.600 -0.182 0.000 0.989 47 E CA -0.826 55.197 56.400 -0.629 0.000 0.799 47 E CB 2.366 31.525 29.700 -0.900 0.000 1.088 47 E HN 0.409 nan 8.360 nan 0.000 0.397 48 L N 2.761 123.954 121.223 -0.050 0.000 2.325 48 L HA 0.376 4.718 4.340 0.002 0.000 0.281 48 L C -0.983 175.952 176.870 0.109 0.000 1.004 48 L CA -0.086 54.858 54.840 0.172 0.000 0.823 48 L CB 2.088 44.376 42.059 0.382 0.000 1.236 48 L HN 0.552 nan 8.230 nan 0.000 0.415 49 T N 4.347 118.965 114.554 0.107 0.000 2.794 49 T HA 0.279 4.630 4.350 0.002 0.000 0.280 49 T C -0.154 174.589 174.700 0.071 0.000 0.987 49 T CA -0.303 61.840 62.100 0.072 0.000 0.993 49 T CB 0.576 69.475 68.868 0.052 0.000 0.939 49 T HN 0.645 nan 8.240 nan 0.000 0.449 50 N N 2.655 121.388 118.700 0.055 0.000 2.415 50 N HA 0.124 4.865 4.740 0.002 0.000 0.246 50 N C 0.362 175.868 175.510 -0.006 0.000 1.078 50 N CA -0.325 52.741 53.050 0.027 0.000 0.942 50 N CB 0.225 38.730 38.487 0.029 0.000 1.140 50 N HN 0.438 nan 8.380 nan 0.000 0.501 51 K N 3.790 124.169 120.400 -0.036 0.000 2.593 51 K HA 0.231 4.553 4.320 0.002 0.000 0.208 51 K C -0.294 176.217 176.600 -0.149 0.000 1.051 51 K CA -0.226 56.010 56.287 -0.085 0.000 1.111 51 K CB 0.444 32.901 32.500 -0.072 0.000 0.849 51 K HN 0.477 nan 8.250 nan 0.000 0.479 52 L N 0.233 121.402 121.223 -0.091 0.000 2.418 52 L HA 0.170 4.511 4.340 0.002 0.000 0.265 52 L C 1.237 178.101 176.870 -0.010 0.000 1.143 52 L CA -0.372 54.449 54.840 -0.031 0.000 0.809 52 L CB 0.548 42.614 42.059 0.013 0.000 1.124 52 L HN 0.218 nan 8.230 nan 0.000 0.456 53 H N -0.271 118.858 119.070 0.099 0.000 2.372 53 H HA -0.078 4.480 4.556 0.002 0.000 0.301 53 H C 1.592 176.955 175.328 0.058 0.000 1.065 53 H CA 1.824 57.913 56.048 0.069 0.000 1.364 53 H CB 0.311 30.109 29.762 0.061 0.000 1.406 53 H HN 0.807 nan 8.280 nan 0.000 0.521 54 T N -2.824 111.846 114.554 0.194 0.000 2.986 54 T HA 0.193 4.544 4.350 0.002 0.000 0.264 54 T C 0.448 175.209 174.700 0.101 0.000 0.964 54 T CA -0.354 61.818 62.100 0.120 0.000 0.895 54 T CB 0.542 69.466 68.868 0.094 0.000 1.163 54 T HN 0.105 nan 8.240 nan 0.000 0.517 55 E N 1.395 121.668 120.200 0.122 0.000 2.266 55 E HA 0.556 4.908 4.350 0.002 0.000 0.277 55 E C 0.365 176.999 176.600 0.057 0.000 1.018 55 E CA -0.860 55.600 56.400 0.099 0.000 0.840 55 E CB 1.402 31.186 29.700 0.141 0.000 1.082 55 E HN 0.460 nan 8.360 nan 0.000 0.395 56 G N 0.974 109.797 108.800 0.038 0.000 2.616 56 G HA2 0.404 4.366 3.960 0.002 0.000 0.268 56 G HA3 0.404 4.366 3.960 0.002 0.000 0.268 56 G C -0.836 174.071 174.900 0.012 0.000 1.213 56 G CA -0.256 44.854 45.100 0.017 0.000 0.926 56 G HN 0.339 nan 8.290 nan 0.000 0.523 57 V N -0.481 119.437 119.914 0.007 0.000 3.120 57 V HA 0.670 4.791 4.120 0.002 0.000 0.303 57 V C -0.768 175.345 176.094 0.033 0.000 1.238 57 V CA -0.254 62.055 62.300 0.015 0.000 1.008 57 V CB 2.256 34.085 31.823 0.009 0.000 1.064 57 V HN 1.277 nan 8.190 nan 0.000 0.434 58 V N 3.181 123.128 119.914 0.055 0.000 3.114 58 V HA 0.735 4.856 4.120 0.002 0.000 0.308 58 V C -1.019 175.094 176.094 0.031 0.000 1.168 58 V CA -0.789 61.572 62.300 0.102 0.000 1.015 58 V CB 2.161 34.037 31.823 0.088 0.000 1.050 58 V HN 0.742 nan 8.190 nan 0.000 0.433 59 I N 2.006 122.496 120.570 -0.133 0.000 2.498 59 I HA 0.512 4.683 4.170 0.002 0.000 0.290 59 I C -1.085 174.468 176.117 -0.940 0.000 1.032 59 I CA -0.483 60.504 61.300 -0.521 0.000 1.073 59 I CB 1.947 39.504 38.000 -0.738 0.000 1.251 59 I HN 0.946 nan 8.210 nan 0.000 0.426 60 H N 5.361 123.925 119.070 -0.843 0.000 2.458 60 H HA 0.394 4.951 4.556 0.003 0.000 0.330 60 H C -1.661 173.070 175.328 -0.995 0.000 1.111 60 H CA -0.668 54.884 56.048 -0.826 0.000 1.245 60 H CB 0.924 30.450 29.762 -0.394 0.000 1.456 60 H HN 0.373 nan 8.280 nan 0.000 0.488 61 W N 5.249 125.947 121.300 -1.004 0.000 2.289 61 W HA 0.206 4.868 4.660 0.003 0.000 0.342 61 W C -0.113 175.824 176.519 -0.970 0.000 0.958 61 W CA -0.904 55.975 57.345 -0.776 0.000 1.492 61 W CB -0.154 28.825 29.460 -0.802 0.000 1.336 61 W HN 0.671 nan 8.180 nan 0.000 0.371 62 H N 1.879 120.453 119.070 -0.827 0.000 2.975 62 H HA 0.356 4.913 4.556 0.002 0.000 0.303 62 H C 1.405 176.456 175.328 -0.461 0.000 1.023 62 H CA 1.483 57.126 56.048 -0.676 0.000 1.473 62 H CB 0.494 29.699 29.762 -0.928 0.000 1.498 62 H HN 0.810 nan 8.280 nan 0.000 0.549 63 G N 4.668 113.367 108.800 -0.167 0.000 2.213 63 G HA2 -0.232 3.729 3.960 0.002 0.000 0.226 63 G HA3 -0.232 3.729 3.960 0.002 0.000 0.226 63 G C -0.077 174.509 174.900 -0.523 0.000 0.992 63 G CA 0.034 45.051 45.100 -0.139 0.000 0.632 63 G HN 0.518 nan 8.290 nan 0.000 0.511 64 I N 1.624 121.862 120.570 -0.553 0.000 2.472 64 I HA 0.370 4.542 4.170 0.002 0.000 0.290 64 I C 1.856 177.720 176.117 -0.420 0.000 1.016 64 I CA -0.586 60.373 61.300 -0.569 0.000 1.348 64 I CB 1.165 38.806 38.000 -0.598 0.000 1.417 64 I HN 0.027 nan 8.210 nan 0.000 0.521 65 L N 4.122 125.112 121.223 -0.388 0.000 2.446 65 L HA 0.006 4.348 4.340 0.002 0.000 0.219 65 L C 0.632 177.297 176.870 -0.341 0.000 1.116 65 L CA 0.214 54.809 54.840 -0.409 0.000 0.844 65 L CB -0.266 41.562 42.059 -0.386 0.000 0.970 65 L HN 0.576 nan 8.230 nan 0.000 0.457 66 Q N 0.411 120.078 119.800 -0.222 0.000 2.457 66 Q HA -0.238 4.104 4.340 0.002 0.000 0.283 66 Q C 0.258 176.251 176.000 -0.012 0.000 1.234 66 Q CA 0.687 56.432 55.803 -0.096 0.000 0.877 66 Q CB -1.690 27.086 28.738 0.062 0.000 1.250 66 Q HN 0.458 nan 8.270 nan 0.000 0.481 67 R N 0.193 120.643 120.500 -0.084 0.000 2.457 67 R HA 0.210 4.551 4.340 0.002 0.000 0.335 67 R C 1.485 177.781 176.300 -0.006 0.000 1.003 67 R CA 1.531 57.603 56.100 -0.047 0.000 1.003 67 R CB -0.320 29.926 30.300 -0.091 0.000 0.950 67 R HN 0.490 nan 8.270 nan 0.000 0.428 68 G N 2.387 111.211 108.800 0.040 0.000 2.241 68 G HA2 -0.314 3.648 3.960 0.002 0.000 0.244 68 G HA3 -0.314 3.648 3.960 0.002 0.000 0.244 68 G C 0.336 175.247 174.900 0.017 0.000 0.998 68 G CA 0.457 45.587 45.100 0.051 0.000 0.621 68 G HN 0.690 nan 8.290 nan 0.000 0.519 69 T N -1.302 113.172 114.554 -0.133 0.000 3.438 69 T HA 0.632 4.983 4.350 0.002 0.000 0.244 69 T C -0.953 173.386 174.700 -0.602 0.000 1.269 69 T CA -0.405 61.352 62.100 -0.571 0.000 1.371 69 T CB 1.823 70.301 68.868 -0.650 0.000 1.002 69 T HN 0.215 nan 8.240 nan 0.000 0.637 70 P HA -0.090 nan 4.420 nan 0.000 0.220 70 P C 1.710 178.932 177.300 -0.131 0.000 1.148 70 P CA 0.769 63.782 63.100 -0.146 0.000 0.803 70 P CB -0.234 31.354 31.700 -0.188 0.000 0.782 71 W N 0.162 121.518 121.300 0.093 0.000 2.468 71 W HA 0.199 4.860 4.660 0.002 0.000 0.262 71 W C 1.116 177.810 176.519 0.292 0.000 1.241 71 W CA 0.618 58.054 57.345 0.153 0.000 1.232 71 W CB -1.507 28.053 29.460 0.167 0.000 1.124 71 W HN -0.051 nan 8.180 nan 0.000 0.597 72 A N 0.725 123.557 122.820 0.020 0.000 2.345 72 A HA 0.016 4.338 4.320 0.002 0.000 0.225 72 A C 1.416 179.261 177.584 0.435 0.000 1.243 72 A CA 0.730 52.970 52.037 0.337 0.000 0.875 72 A CB -0.629 18.273 19.000 -0.164 0.000 0.929 72 A HN 0.095 nan 8.150 nan 0.000 0.502 73 D N 0.140 120.705 120.400 0.275 0.000 2.310 73 D HA 0.055 4.696 4.640 0.002 0.000 0.212 73 D C 1.436 177.906 176.300 0.284 0.000 0.965 73 D CA 1.437 55.616 54.000 0.299 0.000 0.879 73 D CB -0.184 40.811 40.800 0.324 0.000 0.921 73 D HN 0.571 nan 8.370 nan 0.000 0.510 74 G N 0.368 109.349 108.800 0.301 0.000 2.198 74 G HA2 -0.235 3.727 3.960 0.002 0.000 0.257 74 G HA3 -0.235 3.727 3.960 0.002 0.000 0.257 74 G C 0.206 175.121 174.900 0.024 0.000 1.042 74 G CA 0.652 45.850 45.100 0.164 0.000 0.791 74 G HN 0.544 nan 8.290 nan 0.000 0.502 75 T N -1.811 112.719 114.554 -0.041 0.000 2.788 75 T HA 0.789 5.141 4.350 0.002 0.000 0.296 75 T C 0.423 175.093 174.700 -0.050 0.000 1.009 75 T CA 0.280 62.252 62.100 -0.213 0.000 0.949 75 T CB 1.949 70.559 68.868 -0.430 0.000 0.946 75 T HN 1.706 nan 8.240 nan 0.000 0.453 76 A N 2.925 125.757 122.820 0.021 0.000 2.511 76 A HA 0.503 4.825 4.320 0.002 0.000 0.242 76 A C 1.342 178.914 177.584 -0.021 0.000 1.069 76 A CA 0.086 52.125 52.037 0.003 0.000 0.763 76 A CB -0.761 18.250 19.000 0.018 0.000 1.001 76 A HN 1.652 nan 8.150 nan 0.000 0.498 77 S N 0.243 115.913 115.700 -0.050 0.000 3.146 77 S HA -0.212 4.259 4.470 0.002 0.000 0.285 77 S C 0.877 175.427 174.600 -0.083 0.000 1.293 77 S CA 1.719 59.859 58.200 -0.100 0.000 1.137 77 S CB -1.977 61.148 63.200 -0.125 0.000 1.357 77 S HN 0.725 nan 8.310 nan 0.000 0.678 78 I N 0.133 120.695 120.570 -0.013 0.000 3.674 78 I HA 0.043 4.214 4.170 0.002 0.000 0.248 78 I C 2.087 178.202 176.117 -0.003 0.000 1.134 78 I CA 0.800 62.136 61.300 0.060 0.000 1.519 78 I CB -0.309 37.690 38.000 -0.002 0.000 1.598 78 I HN 0.325 nan 8.210 nan 0.000 0.442 79 S N 0.292 115.974 115.700 -0.030 0.000 2.458 79 S HA 0.070 4.541 4.470 0.002 0.000 0.223 79 S C 0.593 175.239 174.600 0.077 0.000 1.019 79 S CA -0.142 58.060 58.200 0.004 0.000 0.937 79 S CB -0.196 63.022 63.200 0.031 0.000 0.788 79 S HN 0.594 nan 8.310 nan 0.000 0.511 80 Q N -1.173 118.652 119.800 0.042 0.000 2.534 80 Q HA 0.571 4.912 4.340 0.002 0.000 0.290 80 Q C -1.580 174.401 176.000 -0.031 0.000 0.991 80 Q CA -1.123 54.696 55.803 0.026 0.000 0.783 80 Q CB 0.792 29.526 28.738 -0.006 0.000 1.470 80 Q HN 0.132 nan 8.270 nan 0.000 0.406 81 c N 1.835 120.408 118.600 -0.046 0.000 2.637 81 c HA 0.665 5.237 4.570 0.002 0.000 0.418 81 c C 1.048 175.073 174.090 -0.109 0.000 1.319 81 c CA 0.129 56.422 56.329 -0.060 0.000 1.949 81 c CB -0.241 42.244 42.510 -0.041 0.000 2.639 81 c HN 0.787 nan 8.230 nan 0.000 0.594 82 A N 4.046 126.818 122.820 -0.081 0.000 2.507 82 A HA 0.393 4.714 4.320 0.002 0.000 0.235 82 A C 0.029 177.550 177.584 -0.105 0.000 1.070 82 A CA -0.037 51.949 52.037 -0.085 0.000 0.768 82 A CB 0.041 19.019 19.000 -0.037 0.000 1.011 82 A HN 0.799 nan 8.150 nan 0.000 0.502 83 I N 2.375 122.878 120.570 -0.112 0.000 2.416 83 I HA 0.075 4.246 4.170 0.002 0.000 0.288 83 I C 0.120 176.229 176.117 -0.013 0.000 1.051 83 I CA -0.410 60.845 61.300 -0.075 0.000 1.375 83 I CB 0.363 38.334 38.000 -0.049 0.000 1.407 83 I HN 0.547 nan 8.210 nan 0.000 0.516 84 N N 7.460 126.163 118.700 0.004 0.000 2.513 84 N HA 0.268 5.010 4.740 0.002 0.000 0.274 84 N C -2.439 173.086 175.510 0.025 0.000 1.189 84 N CA -1.688 51.372 53.050 0.016 0.000 0.975 84 N CB 0.165 38.663 38.487 0.019 0.000 1.157 84 N HN 0.236 nan 8.380 nan 0.000 0.465 85 P HA -0.007 nan 4.420 nan 0.000 0.261 85 P C 0.769 178.084 177.300 0.026 0.000 1.173 85 P CA 0.991 64.106 63.100 0.026 0.000 0.760 85 P CB 0.151 31.875 31.700 0.039 0.000 0.783 86 G N 1.627 110.438 108.800 0.019 0.000 2.179 86 G HA2 -0.239 3.722 3.960 0.002 0.000 0.260 86 G HA3 -0.239 3.722 3.960 0.002 0.000 0.260 86 G C 0.019 174.939 174.900 0.034 0.000 0.977 86 G CA -0.178 44.936 45.100 0.023 0.000 0.641 86 G HN 0.554 nan 8.290 nan 0.000 0.533 87 E N -0.066 120.159 120.200 0.042 0.000 2.222 87 E HA 0.619 4.970 4.350 0.002 0.000 0.267 87 E C -0.585 176.056 176.600 0.069 0.000 0.963 87 E CA -0.451 55.983 56.400 0.058 0.000 0.837 87 E CB 1.404 31.143 29.700 0.065 0.000 1.183 87 E HN 0.095 nan 8.360 nan 0.000 0.403 88 T N 1.657 116.256 114.554 0.076 0.000 2.812 88 T HA 0.441 4.793 4.350 0.002 0.000 0.282 88 T C -1.311 173.444 174.700 0.091 0.000 0.990 88 T CA -0.502 61.625 62.100 0.046 0.000 0.960 88 T CB 0.376 69.238 68.868 -0.010 0.000 0.948 88 T HN 0.276 nan 8.240 nan 0.000 0.438 89 F N 2.708 122.581 119.950 -0.127 0.000 2.551 89 F HA 0.717 5.245 4.527 0.003 0.000 0.316 89 F C -1.710 173.933 175.800 -0.261 0.000 1.089 89 F CA -1.626 56.297 58.000 -0.129 0.000 0.915 89 F CB 1.172 40.081 39.000 -0.152 0.000 1.186 89 F HN 0.468 nan 8.300 nan 0.000 0.456 90 F N 5.113 124.693 119.950 -0.617 0.000 2.404 90 F HA 0.365 4.894 4.527 0.002 0.000 0.354 90 F C -1.012 174.573 175.800 -0.358 0.000 1.122 90 F CA -0.450 57.328 58.000 -0.370 0.000 1.080 90 F CB 0.717 39.530 39.000 -0.311 0.000 1.131 90 F HN 0.286 nan 8.300 nan 0.000 0.471 91 Y N 3.093 123.532 120.300 0.232 0.000 2.404 91 Y HA 0.346 4.898 4.550 0.002 0.000 0.344 91 Y C -0.203 175.798 175.900 0.167 0.000 0.970 91 Y CA -0.721 57.615 58.100 0.394 0.000 1.180 91 Y CB 0.569 39.338 38.460 0.515 0.000 1.138 91 Y HN 0.406 nan 8.280 nan 0.000 0.510 92 N N 5.586 124.507 118.700 0.369 0.000 2.442 92 N HA 0.449 5.191 4.740 0.002 0.000 0.274 92 N C -1.250 174.279 175.510 0.032 0.000 1.002 92 N CA -0.569 52.537 53.050 0.094 0.000 0.910 92 N CB 1.303 39.905 38.487 0.191 0.000 1.244 92 N HN 0.502 nan 8.380 nan 0.000 0.492 93 F N -1.805 118.029 119.950 -0.192 0.000 2.662 93 F HA 0.689 5.218 4.527 0.003 0.000 0.312 93 F C -0.412 175.268 175.800 -0.200 0.000 1.113 93 F CA -0.989 56.867 58.000 -0.241 0.000 0.951 93 F CB 1.039 39.837 39.000 -0.336 0.000 1.344 93 F HN -0.048 nan 8.300 nan 0.000 0.462 94 T N 1.809 116.397 114.554 0.056 0.000 2.867 94 T HA 0.580 4.931 4.350 0.002 0.000 0.282 94 T C -0.549 174.184 174.700 0.055 0.000 1.000 94 T CA -0.706 61.385 62.100 -0.014 0.000 1.042 94 T CB 1.580 70.433 68.868 -0.024 0.000 0.973 94 T HN 0.782 nan 8.240 nan 0.000 0.465 95 V N 0.836 120.755 119.914 0.007 0.000 2.364 95 V HA 0.424 4.545 4.120 0.002 0.000 0.272 95 V C 0.165 176.244 176.094 -0.025 0.000 1.036 95 V CA -0.492 61.805 62.300 -0.006 0.000 0.880 95 V CB 1.023 32.857 31.823 0.017 0.000 0.991 95 V HN 0.772 nan 8.190 nan 0.000 0.460 96 D N 3.246 123.613 120.400 -0.055 0.000 2.240 96 D HA 0.030 4.671 4.640 0.002 0.000 0.206 96 D C 0.481 176.775 176.300 -0.009 0.000 0.963 96 D CA 1.100 55.077 54.000 -0.040 0.000 0.863 96 D CB 0.425 41.184 40.800 -0.067 0.000 0.973 96 D HN 0.855 nan 8.370 nan 0.000 0.501 97 N N 0.681 119.387 118.700 0.009 0.000 2.329 97 N HA 0.249 4.990 4.740 0.002 0.000 0.282 97 N C -3.169 172.435 175.510 0.156 0.000 1.198 97 N CA -1.403 51.684 53.050 0.063 0.000 0.790 97 N CB 2.474 40.983 38.487 0.036 0.000 1.579 97 N HN -0.252 nan 8.380 nan 0.000 0.475 98 P HA 0.316 nan 4.420 nan 0.000 0.269 98 P C 0.102 177.418 177.300 0.026 0.000 1.215 98 P CA 0.587 63.754 63.100 0.112 0.000 0.780 98 P CB 0.763 32.518 31.700 0.090 0.000 0.898 99 G N 0.332 109.068 108.800 -0.107 0.000 2.339 99 G HA2 0.219 4.181 3.960 0.002 0.000 0.302 99 G HA3 0.219 4.181 3.960 0.002 0.000 0.302 99 G C -1.419 173.006 174.900 -0.792 0.000 1.425 99 G CA -0.687 44.070 45.100 -0.571 0.000 0.899 99 G HN 0.412 nan 8.290 nan 0.000 0.619 100 T N 1.660 115.740 114.554 -0.790 0.000 2.739 100 T HA 0.620 4.971 4.350 0.002 0.000 0.298 100 T C -0.524 173.780 174.700 -0.659 0.000 0.929 100 T CA 0.381 62.175 62.100 -0.509 0.000 1.014 100 T CB -0.154 68.529 68.868 -0.308 0.000 0.914 100 T HN 0.350 nan 8.240 nan 0.000 0.509 101 F N 2.164 122.144 119.950 0.050 0.000 2.746 101 F HA 0.860 5.388 4.527 0.002 0.000 0.378 101 F C -0.242 175.675 175.800 0.194 0.000 1.165 101 F CA -1.609 56.414 58.000 0.038 0.000 1.089 101 F CB 1.159 40.137 39.000 -0.038 0.000 1.439 101 F HN 0.549 nan 8.300 nan 0.000 0.516 102 F N -1.284 118.777 119.950 0.184 0.000 2.817 102 F HA 0.667 5.195 4.527 0.002 0.000 0.317 102 F C -1.842 174.040 175.800 0.136 0.000 1.168 102 F CA -2.066 55.973 58.000 0.064 0.000 0.911 102 F CB 0.957 39.900 39.000 -0.095 0.000 1.337 102 F HN 0.442 nan 8.300 nan 0.000 0.464 103 Y N -0.415 120.058 120.300 0.288 0.000 2.570 103 Y HA 0.915 5.466 4.550 0.002 0.000 0.345 103 Y C -0.945 175.055 175.900 0.165 0.000 1.014 103 Y CA -1.258 56.844 58.100 0.003 0.000 1.063 103 Y CB 1.550 39.977 38.460 -0.054 0.000 1.272 103 Y HN 0.988 nan 8.280 nan 0.000 0.477 104 H N -1.028 118.162 119.070 0.200 0.000 3.014 104 H HA 0.674 5.231 4.556 0.002 0.000 0.337 104 H C -0.344 175.073 175.328 0.149 0.000 1.320 104 H CA -1.242 54.946 56.048 0.233 0.000 1.128 104 H CB 0.934 30.892 29.762 0.327 0.000 1.862 104 H HN 1.094 nan 8.280 nan 0.000 0.536 105 G N -0.094 108.888 108.800 0.304 0.000 2.432 105 G HA2 0.238 4.200 3.960 0.002 0.000 0.239 105 G HA3 0.238 4.200 3.960 0.002 0.000 0.239 105 G C -0.393 174.667 174.900 0.267 0.000 1.291 105 G CA -0.134 45.076 45.100 0.184 0.000 0.863 105 G HN 0.868 nan 8.290 nan 0.000 0.560 106 H N 1.911 121.034 119.070 0.088 0.000 2.779 106 H HA 0.314 4.872 4.556 0.002 0.000 0.230 106 H C -1.271 174.059 175.328 0.003 0.000 1.365 106 H CA -0.421 55.669 56.048 0.070 0.000 1.086 106 H CB 0.585 30.384 29.762 0.062 0.000 2.038 106 H HN 0.322 nan 8.280 nan 0.000 0.558 107 L N 0.171 121.421 121.223 0.044 0.000 2.470 107 L HA 0.553 4.894 4.340 0.002 0.000 0.268 107 L C 0.680 177.535 176.870 -0.025 0.000 0.964 107 L CA 0.767 55.616 54.840 0.015 0.000 0.839 107 L CB 1.464 43.536 42.059 0.021 0.000 1.276 107 L HN 0.476 nan 8.230 nan 0.000 0.403 108 G N 4.726 113.504 108.800 -0.036 0.000 2.614 108 G HA2 -0.328 3.633 3.960 0.002 0.000 0.303 108 G HA3 -0.328 3.633 3.960 0.002 0.000 0.303 108 G C 0.430 175.297 174.900 -0.055 0.000 1.270 108 G CA 0.621 45.706 45.100 -0.025 0.000 0.988 108 G HN 0.722 nan 8.290 nan 0.000 0.551 109 M N 0.881 120.432 119.600 -0.081 0.000 2.756 109 M HA 0.199 4.680 4.480 0.002 0.000 0.320 109 M C 1.944 178.179 176.300 -0.107 0.000 1.245 109 M CA 0.025 55.247 55.300 -0.131 0.000 0.972 109 M CB 0.733 33.204 32.600 -0.214 0.000 1.327 109 M HN 0.611 nan 8.290 nan 0.000 0.505 110 Q N 1.045 120.805 119.800 -0.066 0.000 2.181 110 Q HA -0.204 4.138 4.340 0.002 0.000 0.205 110 Q C 2.083 178.100 176.000 0.027 0.000 0.980 110 Q CA 1.661 57.446 55.803 -0.030 0.000 0.862 110 Q CB -0.196 28.528 28.738 -0.023 0.000 0.905 110 Q HN 0.639 nan 8.270 nan 0.000 0.429 111 R N -0.070 120.468 120.500 0.064 0.000 2.096 111 R HA -0.056 4.285 4.340 0.002 0.000 0.235 111 R C 2.014 178.467 176.300 0.256 0.000 1.127 111 R CA 1.702 57.914 56.100 0.186 0.000 0.968 111 R CB -0.446 29.947 30.300 0.155 0.000 0.861 111 R HN -0.043 nan 8.270 nan 0.000 0.440 112 S N 1.237 117.009 115.700 0.119 0.000 2.419 112 S HA -0.021 4.451 4.470 0.002 0.000 0.233 112 S C 1.974 176.706 174.600 0.219 0.000 1.016 112 S CA 1.007 59.295 58.200 0.148 0.000 0.974 112 S CB -0.023 63.123 63.200 -0.091 0.000 0.786 112 S HN 0.587 nan 8.310 nan 0.000 0.492 113 A N 0.416 123.321 122.820 0.141 0.000 2.235 113 A HA 0.475 4.797 4.320 0.002 0.000 0.208 113 A C 1.683 179.399 177.584 0.219 0.000 1.172 113 A CA 0.937 53.082 52.037 0.180 0.000 0.786 113 A CB -0.554 18.526 19.000 0.134 0.000 0.804 113 A HN 0.796 nan 8.150 nan 0.000 0.479 114 G N -2.119 106.785 108.800 0.174 0.000 2.229 114 G HA2 -0.102 3.859 3.960 0.002 0.000 0.189 114 G HA3 -0.102 3.859 3.960 0.002 0.000 0.189 114 G C 0.016 174.635 174.900 -0.468 0.000 1.000 114 G CA -0.019 45.033 45.100 -0.080 0.000 0.663 114 G HN 0.752 nan 8.290 nan 0.000 0.493 115 L N 2.863 123.958 121.223 -0.213 0.000 2.401 115 L HA 0.678 5.020 4.340 0.002 0.000 0.283 115 L C -0.163 176.687 176.870 -0.033 0.000 1.151 115 L CA -1.198 53.552 54.840 -0.150 0.000 0.942 115 L CB -1.295 40.745 42.059 -0.031 0.000 1.283 115 L HN 0.441 nan 8.230 nan 0.000 0.442 116 Y N 1.623 121.918 120.300 -0.009 0.000 2.713 116 Y HA 0.910 5.461 4.550 0.002 0.000 0.335 116 Y C -0.127 175.441 175.900 -0.553 0.000 1.222 116 Y CA -1.091 56.887 58.100 -0.203 0.000 1.061 116 Y CB 0.666 39.084 38.460 -0.069 0.000 1.314 116 Y HN 0.478 nan 8.280 nan 0.000 0.453 117 G N -0.165 108.187 108.800 -0.746 0.000 2.349 117 G HA2 0.502 4.463 3.960 0.002 0.000 0.294 117 G HA3 0.502 4.463 3.960 0.002 0.000 0.294 117 G C -1.873 172.708 174.900 -0.533 0.000 1.380 117 G CA -0.904 43.788 45.100 -0.680 0.000 0.811 117 G HN 0.687 nan 8.290 nan 0.000 0.519 118 S N -0.965 114.666 115.700 -0.114 0.000 2.616 118 S HA 0.733 5.205 4.470 0.002 0.000 0.277 118 S C -0.474 174.299 174.600 0.288 0.000 1.234 118 S CA -0.476 57.773 58.200 0.082 0.000 1.028 118 S CB 1.394 64.621 63.200 0.045 0.000 0.988 118 S HN 0.672 nan 8.310 nan 0.000 0.522 119 L N 3.367 124.779 121.223 0.315 0.000 2.446 119 L HA 0.594 4.935 4.340 0.002 0.000 0.268 119 L C -1.706 175.339 176.870 0.292 0.000 0.975 119 L CA -0.354 54.696 54.840 0.350 0.000 0.848 119 L CB 0.533 42.856 42.059 0.440 0.000 1.225 119 L HN 0.615 nan 8.230 nan 0.000 0.410 120 I N 4.851 125.550 120.570 0.215 0.000 2.474 120 I HA 0.499 4.671 4.170 0.002 0.000 0.294 120 I C -0.776 175.450 176.117 0.181 0.000 1.005 120 I CA -0.930 60.464 61.300 0.157 0.000 1.113 120 I CB 2.257 40.310 38.000 0.090 0.000 1.289 120 I HN 0.191 nan 8.210 nan 0.000 0.436 121 V N 4.833 124.860 119.914 0.188 0.000 2.444 121 V HA 0.328 4.449 4.120 0.002 0.000 0.294 121 V C -0.435 175.733 176.094 0.123 0.000 1.022 121 V CA -0.798 61.612 62.300 0.183 0.000 0.850 121 V CB 1.725 33.718 31.823 0.284 0.000 0.992 121 V HN 0.629 nan 8.190 nan 0.000 0.426 122 D N 5.669 126.129 120.400 0.099 0.000 2.387 122 D HA 0.363 5.004 4.640 0.002 0.000 0.251 122 D C -2.324 174.019 176.300 0.072 0.000 1.141 122 D CA -1.105 52.944 54.000 0.082 0.000 0.987 122 D CB 1.417 42.258 40.800 0.069 0.000 1.116 122 D HN 0.275 nan 8.370 nan 0.000 0.491 123 P HA 0.046 nan 4.420 nan 0.000 0.269 123 P C -2.566 174.754 177.300 0.033 0.000 1.211 123 P CA -0.743 62.386 63.100 0.048 0.000 0.781 123 P CB -0.756 30.961 31.700 0.027 0.000 0.877 124 P HA -0.021 nan 4.420 nan 0.000 0.266 124 P C 0.133 177.438 177.300 0.008 0.000 1.193 124 P CA 0.378 63.489 63.100 0.017 0.000 0.770 124 P CB 0.104 31.813 31.700 0.014 0.000 0.836 125 Q N 1.849 121.652 119.800 0.006 0.000 2.286 125 Q HA 0.130 4.472 4.340 0.002 0.000 0.290 125 Q C 1.195 177.192 176.000 -0.004 0.000 1.049 125 Q CA 1.360 57.163 55.803 0.001 0.000 0.923 125 Q CB -0.470 28.268 28.738 -0.000 0.000 1.183 125 Q HN 0.822 nan 8.270 nan 0.000 0.383 126 G N 3.628 112.423 108.800 -0.009 0.000 2.420 126 G HA2 -0.320 3.641 3.960 0.002 0.000 0.221 126 G HA3 -0.320 3.641 3.960 0.002 0.000 0.221 126 G C 0.132 175.020 174.900 -0.019 0.000 1.117 126 G CA 0.296 45.388 45.100 -0.014 0.000 0.657 126 G HN 0.677 nan 8.290 nan 0.000 0.512 127 K N 1.406 121.796 120.400 -0.016 0.000 2.168 127 K HA 0.594 4.916 4.320 0.002 0.000 0.258 127 K C 0.123 176.700 176.600 -0.038 0.000 1.010 127 K CA -0.134 56.139 56.287 -0.023 0.000 0.929 127 K CB 0.407 32.901 32.500 -0.009 0.000 0.998 127 K HN 0.266 nan 8.250 nan 0.000 0.479 128 K N 1.656 122.020 120.400 -0.061 0.000 2.444 128 K HA 0.165 4.487 4.320 0.002 0.000 0.252 128 K C -1.113 175.401 176.600 -0.143 0.000 0.993 128 K CA -1.031 55.197 56.287 -0.099 0.000 0.847 128 K CB 1.677 34.111 32.500 -0.111 0.000 1.340 128 K HN 0.546 nan 8.250 nan 0.000 0.446 129 E N 2.595 122.664 120.200 -0.219 0.000 2.413 129 E HA 0.015 4.367 4.350 0.002 0.000 0.263 129 E C -1.548 174.757 176.600 -0.492 0.000 1.015 129 E CA -1.248 54.912 56.400 -0.399 0.000 0.916 129 E CB 0.550 29.933 29.700 -0.529 0.000 0.947 129 E HN 0.221 nan 8.360 nan 0.000 0.440 130 P HA -0.072 nan 4.420 nan 0.000 0.231 130 P C -0.651 176.533 177.300 -0.192 0.000 1.158 130 P CA 0.816 63.688 63.100 -0.380 0.000 0.763 130 P CB -0.203 31.253 31.700 -0.407 0.000 0.805 131 F N -2.134 117.819 119.950 0.006 0.000 2.588 131 F HA 0.625 5.153 4.527 0.002 0.000 0.310 131 F C -0.168 175.695 175.800 0.104 0.000 1.082 131 F CA -2.139 55.905 58.000 0.073 0.000 0.929 131 F CB 0.466 39.525 39.000 0.099 0.000 1.254 131 F HN -0.283 nan 8.300 nan 0.000 0.455 132 H N 1.817 120.996 119.070 0.182 0.000 2.487 132 H HA 0.652 5.210 4.556 0.002 0.000 0.333 132 H C -1.434 174.012 175.328 0.195 0.000 1.114 132 H CA -0.671 55.393 56.048 0.026 0.000 1.310 132 H CB 0.946 30.698 29.762 -0.017 0.000 1.462 132 H HN 0.654 nan 8.280 nan 0.000 0.516 133 Y N 0.834 120.710 120.300 -0.708 0.000 2.609 133 Y HA 0.293 4.844 4.550 0.002 0.000 0.336 133 Y C -0.279 175.214 175.900 -0.678 0.000 1.129 133 Y CA -1.114 56.652 58.100 -0.557 0.000 1.040 133 Y CB 0.736 39.087 38.460 -0.181 0.000 1.310 133 Y HN 0.477 nan 8.280 nan 0.000 0.460 134 D N 1.000 121.185 120.400 -0.358 0.000 2.201 134 D HA 0.218 4.859 4.640 0.002 0.000 0.209 134 D C 0.637 176.858 176.300 -0.132 0.000 0.961 134 D CA 1.381 55.214 54.000 -0.278 0.000 0.861 134 D CB 0.503 41.114 40.800 -0.316 0.000 0.997 134 D HN 0.802 nan 8.370 nan 0.000 0.486 135 G N -0.238 108.491 108.800 -0.118 0.000 2.733 135 G HA2 0.483 4.444 3.960 0.002 0.000 0.288 135 G HA3 0.483 4.444 3.960 0.002 0.000 0.288 135 G C -1.514 173.554 174.900 0.279 0.000 1.373 135 G CA -0.434 44.764 45.100 0.165 0.000 0.895 135 G HN -0.067 nan 8.290 nan 0.000 0.479 136 E N -0.608 119.726 120.200 0.224 0.000 2.272 136 E HA 0.604 4.955 4.350 0.002 0.000 0.269 136 E C -1.326 175.278 176.600 0.006 0.000 0.877 136 E CA -0.673 55.770 56.400 0.070 0.000 0.755 136 E CB 2.190 31.941 29.700 0.085 0.000 1.192 136 E HN 0.332 nan 8.360 nan 0.000 0.422 137 I N 3.455 123.947 120.570 -0.131 0.000 2.498 137 I HA 0.302 4.474 4.170 0.002 0.000 0.290 137 I C -0.393 175.552 176.117 -0.287 0.000 1.032 137 I CA -0.750 60.386 61.300 -0.273 0.000 1.073 137 I CB 1.938 39.583 38.000 -0.593 0.000 1.251 137 I HN 0.418 nan 8.210 nan 0.000 0.426 138 N N 6.445 124.999 118.700 -0.243 0.000 2.372 138 N HA 0.552 5.294 4.740 0.002 0.000 0.291 138 N C -1.843 173.490 175.510 -0.295 0.000 1.024 138 N CA -0.517 52.399 53.050 -0.225 0.000 0.873 138 N CB 2.028 40.433 38.487 -0.137 0.000 1.206 138 N HN 0.390 nan 8.380 nan 0.000 0.486 139 L N 4.339 125.406 121.223 -0.259 0.000 2.404 139 L HA 0.499 4.841 4.340 0.002 0.000 0.272 139 L C -1.764 174.967 176.870 -0.232 0.000 0.980 139 L CA -0.653 54.052 54.840 -0.225 0.000 0.836 139 L CB 1.531 43.528 42.059 -0.104 0.000 1.238 139 L HN 0.469 nan 8.230 nan 0.000 0.408 140 L N 5.749 126.824 121.223 -0.247 0.000 2.287 140 L HA 0.598 4.939 4.340 0.002 0.000 0.287 140 L C -1.179 175.531 176.870 -0.267 0.000 1.022 140 L CA -0.108 54.555 54.840 -0.294 0.000 0.814 140 L CB 1.266 43.151 42.059 -0.291 0.000 1.217 140 L HN 0.563 nan 8.230 nan 0.000 0.420 141 L N 4.816 125.860 121.223 -0.299 0.000 2.307 141 L HA 0.743 5.085 4.340 0.002 0.000 0.282 141 L C 0.118 176.807 176.870 -0.303 0.000 1.051 141 L CA -0.269 54.433 54.840 -0.230 0.000 0.804 141 L CB 1.515 43.467 42.059 -0.179 0.000 1.197 141 L HN 0.820 nan 8.230 nan 0.000 0.431 142 S N 0.058 115.633 115.700 -0.208 0.000 2.671 142 S HA 0.770 5.241 4.470 0.002 0.000 0.277 142 S C -1.686 172.898 174.600 -0.026 0.000 1.165 142 S CA -1.054 57.028 58.200 -0.197 0.000 0.822 142 S CB 2.388 65.400 63.200 -0.313 0.000 1.150 142 S HN 0.579 nan 8.310 nan 0.000 0.479 143 D N -0.646 119.788 120.400 0.057 0.000 2.493 143 D HA 0.557 5.198 4.640 0.002 0.000 0.239 143 D C -1.386 175.032 176.300 0.196 0.000 1.049 143 D CA -0.553 53.453 54.000 0.010 0.000 1.008 143 D CB 1.039 41.718 40.800 -0.201 0.000 1.398 143 D HN 0.733 nan 8.370 nan 0.000 0.513 144 W N 0.917 122.067 121.300 -0.251 0.000 3.129 144 W HA 0.428 5.090 4.660 0.003 0.000 0.333 144 W C -2.005 174.373 176.519 -0.235 0.000 1.141 144 W CA -0.826 56.502 57.345 -0.028 0.000 1.224 144 W CB 1.461 30.955 29.460 0.057 0.000 1.393 144 W HN 0.352 nan 8.180 nan 0.000 0.499 145 W N 4.306 125.140 121.300 -0.777 0.000 2.689 145 W HA 0.253 4.914 4.660 0.002 0.000 0.340 145 W C 0.822 176.849 176.519 -0.820 0.000 1.060 145 W CA -0.484 56.462 57.345 -0.665 0.000 1.218 145 W CB 1.353 30.524 29.460 -0.482 0.000 1.410 145 W HN 0.577 nan 8.180 nan 0.000 0.528 146 H N 0.203 119.064 119.070 -0.348 0.000 2.548 146 H HA -0.040 4.518 4.556 0.002 0.000 0.268 146 H C 0.845 176.055 175.328 -0.197 0.000 0.975 146 H CA 0.237 56.116 56.048 -0.281 0.000 1.195 146 H CB 0.956 30.576 29.762 -0.236 0.000 1.397 146 H HN 0.253 nan 8.280 nan 0.000 0.572 147 Q N 1.790 121.557 119.800 -0.054 0.000 2.340 147 Q HA 0.091 4.433 4.340 0.002 0.000 0.249 147 Q C 0.040 175.954 176.000 -0.144 0.000 0.957 147 Q CA -0.390 55.363 55.803 -0.082 0.000 0.882 147 Q CB 1.067 29.751 28.738 -0.090 0.000 1.235 147 Q HN 0.136 nan 8.270 nan 0.000 0.439 148 S N 2.765 118.407 115.700 -0.098 0.000 2.558 148 S HA -0.053 4.418 4.470 0.002 0.000 0.293 148 S C 1.148 175.676 174.600 -0.120 0.000 1.292 148 S CA -0.412 57.746 58.200 -0.070 0.000 1.063 148 S CB 0.256 63.450 63.200 -0.010 0.000 0.831 148 S HN 0.646 nan 8.310 nan 0.000 0.499 149 I N 4.282 124.772 120.570 -0.133 0.000 2.493 149 I HA -0.029 4.142 4.170 0.002 0.000 0.254 149 I C 1.746 177.732 176.117 -0.220 0.000 1.160 149 I CA 1.491 62.645 61.300 -0.244 0.000 1.445 149 I CB -0.696 37.146 38.000 -0.263 0.000 1.086 149 I HN 0.789 nan 8.210 nan 0.000 0.433 150 H N -0.568 118.436 119.070 -0.109 0.000 2.470 150 H HA 0.041 4.599 4.556 0.002 0.000 0.289 150 H C 2.084 177.356 175.328 -0.094 0.000 1.033 150 H CA 0.861 56.859 56.048 -0.083 0.000 1.331 150 H CB -0.221 29.504 29.762 -0.061 0.000 1.414 150 H HN 0.200 nan 8.280 nan 0.000 0.545 151 K N 0.513 120.919 120.400 0.009 0.000 2.103 151 K HA -0.089 4.232 4.320 0.002 0.000 0.204 151 K C 1.967 178.503 176.600 -0.105 0.000 1.052 151 K CA 0.867 57.129 56.287 -0.042 0.000 0.945 151 K CB 0.117 32.587 32.500 -0.050 0.000 0.722 151 K HN 0.383 nan 8.250 nan 0.000 0.443 152 Q N 0.635 120.322 119.800 -0.188 0.000 2.050 152 Q HA -0.197 4.145 4.340 0.002 0.000 0.202 152 Q C 1.858 177.684 176.000 -0.289 0.000 0.980 152 Q CA 1.482 57.108 55.803 -0.296 0.000 0.840 152 Q CB -0.001 28.468 28.738 -0.449 0.000 0.898 152 Q HN 0.373 nan 8.270 nan 0.000 0.424 153 E N -0.073 119.974 120.200 -0.255 0.000 2.077 153 E HA -0.153 4.199 4.350 0.002 0.000 0.193 153 E C 2.134 178.702 176.600 -0.053 0.000 0.989 153 E CA 1.237 57.495 56.400 -0.235 0.000 0.800 153 E CB 0.052 29.707 29.700 -0.074 0.000 0.746 153 E HN 0.118 nan 8.360 nan 0.000 0.452 154 V N 0.817 120.720 119.914 -0.019 0.000 2.307 154 V HA -0.183 3.939 4.120 0.002 0.000 0.245 154 V C 2.366 178.475 176.094 0.025 0.000 1.045 154 V CA 2.008 64.323 62.300 0.024 0.000 1.024 154 V CB -0.916 30.919 31.823 0.020 0.000 0.651 154 V HN 0.411 nan 8.190 nan 0.000 0.449 155 G N -0.359 108.432 108.800 -0.014 0.000 2.422 155 G HA2 -0.201 3.760 3.960 0.002 0.000 0.218 155 G HA3 -0.201 3.760 3.960 0.002 0.000 0.218 155 G C 1.529 176.453 174.900 0.041 0.000 1.146 155 G CA 0.711 45.814 45.100 0.004 0.000 0.769 155 G HN 0.484 nan 8.290 nan 0.000 0.547 156 L N 0.802 122.029 121.223 0.006 0.000 2.376 156 L HA 0.049 4.390 4.340 0.002 0.000 0.219 156 L C 2.016 178.999 176.870 0.188 0.000 1.133 156 L CA 0.568 55.459 54.840 0.085 0.000 0.816 156 L CB 0.150 42.173 42.059 -0.060 0.000 0.933 156 L HN 0.130 nan 8.230 nan 0.000 0.449 157 S N -1.576 114.225 115.700 0.169 0.000 2.568 157 S HA 0.157 4.629 4.470 0.002 0.000 0.232 157 S C 0.687 175.400 174.600 0.189 0.000 0.975 157 S CA -0.279 58.002 58.200 0.135 0.000 0.949 157 S CB 0.489 63.745 63.200 0.093 0.000 0.829 157 S HN 0.158 nan 8.310 nan 0.000 0.479 158 S N 1.932 117.759 115.700 0.212 0.000 2.713 158 S HA 0.448 4.919 4.470 0.002 0.000 0.283 158 S C -0.117 174.627 174.600 0.240 0.000 1.161 158 S CA -0.640 57.692 58.200 0.220 0.000 0.999 158 S CB 0.886 64.158 63.200 0.120 0.000 1.039 158 S HN 0.234 nan 8.310 nan 0.000 0.548 159 K N 2.374 122.834 120.400 0.100 0.000 2.358 159 K HA 0.397 4.718 4.320 0.002 0.000 0.260 159 K C -2.423 174.160 176.600 -0.027 0.000 0.956 159 K CA -1.632 54.612 56.287 -0.071 0.000 0.834 159 K CB 0.918 33.251 32.500 -0.278 0.000 1.102 159 K HN 0.462 nan 8.250 nan 0.000 0.431 160 P HA 0.034 nan 4.420 nan 0.000 0.266 160 P C 0.007 177.339 177.300 0.054 0.000 1.195 160 P CA -0.293 62.811 63.100 0.007 0.000 0.768 160 P CB 0.791 32.495 31.700 0.006 0.000 0.838 161 I N 2.614 123.231 120.570 0.080 0.000 2.813 161 I HA -0.034 4.137 4.170 0.002 0.000 0.287 161 I C 0.475 176.665 176.117 0.123 0.000 1.196 161 I CA -0.119 61.257 61.300 0.128 0.000 1.421 161 I CB 0.335 38.426 38.000 0.153 0.000 1.365 161 I HN 0.358 nan 8.210 nan 0.000 0.591 162 R N 7.756 128.334 120.500 0.129 0.000 2.310 162 R HA 0.177 4.518 4.340 0.002 0.000 0.316 162 R C -0.660 175.741 176.300 0.168 0.000 1.004 162 R CA -0.587 55.585 56.100 0.121 0.000 0.900 162 R CB 0.934 31.269 30.300 0.058 0.000 1.152 162 R HN 0.671 nan 8.270 nan 0.000 0.513 163 W N 5.486 126.794 121.300 0.013 0.000 2.170 163 W HA -0.041 4.621 4.660 0.003 0.000 0.342 163 W C 1.129 177.641 176.519 -0.012 0.000 1.294 163 W CA -0.284 57.071 57.345 0.016 0.000 1.246 163 W CB 0.587 30.076 29.460 0.048 0.000 1.156 163 W HN 0.694 nan 8.180 nan 0.000 0.572 164 I N 2.951 122.949 120.570 -0.952 0.000 2.676 164 I HA 0.187 4.359 4.170 0.002 0.000 0.259 164 I C 0.980 176.798 176.117 -0.498 0.000 1.194 164 I CA 1.098 61.920 61.300 -0.798 0.000 1.473 164 I CB -0.811 36.528 38.000 -1.102 0.000 1.096 164 I HN 0.597 nan 8.210 nan 0.000 0.443 165 G N 1.682 110.084 108.800 -0.662 0.000 2.796 165 G HA2 -0.174 3.787 3.960 0.002 0.000 0.571 165 G HA3 -0.174 3.787 3.960 0.002 0.000 0.571 165 G C -0.667 174.336 174.900 0.171 0.000 1.370 165 G CA -0.573 44.519 45.100 -0.013 0.000 0.856 165 G HN 0.372 nan 8.290 nan 0.000 0.538 166 E N 1.505 121.803 120.200 0.163 0.000 2.392 166 E HA 0.307 4.659 4.350 0.002 0.000 0.264 166 E C -1.524 174.955 176.600 -0.202 0.000 1.024 166 E CA -1.041 55.391 56.400 0.053 0.000 0.903 166 E CB 0.490 30.188 29.700 -0.003 0.000 0.963 166 E HN 0.434 nan 8.360 nan 0.000 0.432 167 P HA 0.015 nan 4.420 nan 0.000 0.270 167 P C 0.097 176.999 177.300 -0.663 0.000 1.223 167 P CA 0.030 62.307 63.100 -1.371 0.000 0.785 167 P CB 0.805 31.645 31.700 -1.434 0.000 0.923 168 Q N -0.220 119.204 119.800 -0.626 0.000 2.137 168 Q HA 0.069 4.410 4.340 0.002 0.000 0.198 168 Q C 0.290 176.267 176.000 -0.039 0.000 0.960 168 Q CA 1.560 57.206 55.803 -0.263 0.000 0.847 168 Q CB -0.043 28.323 28.738 -0.621 0.000 0.915 168 Q HN 0.539 nan 8.270 nan 0.000 0.448 169 T N -0.388 114.115 114.554 -0.085 0.000 2.916 169 T HA 0.464 4.816 4.350 0.002 0.000 0.305 169 T C -0.990 173.703 174.700 -0.010 0.000 1.119 169 T CA -0.701 61.432 62.100 0.055 0.000 1.008 169 T CB 1.615 70.625 68.868 0.237 0.000 1.129 169 T HN -0.142 nan 8.240 nan 0.000 0.480 170 I N 2.736 123.302 120.570 -0.007 0.000 2.336 170 I HA 0.403 4.574 4.170 0.002 0.000 0.292 170 I C -0.690 175.445 176.117 0.030 0.000 0.991 170 I CA -0.968 60.322 61.300 -0.017 0.000 1.227 170 I CB 1.094 39.066 38.000 -0.046 0.000 1.366 170 I HN 0.407 nan 8.210 nan 0.000 0.466 171 L N 7.329 128.579 121.223 0.045 0.000 2.282 171 L HA 0.428 4.769 4.340 0.002 0.000 0.288 171 L C -0.424 176.454 176.870 0.014 0.000 1.033 171 L CA -0.482 54.395 54.840 0.062 0.000 0.807 171 L CB 1.258 43.395 42.059 0.131 0.000 1.209 171 L HN 0.288 nan 8.230 nan 0.000 0.423 172 L N 5.116 126.350 121.223 0.018 0.000 2.294 172 L HA 0.477 4.818 4.340 0.002 0.000 0.283 172 L C 0.332 177.181 176.870 -0.034 0.000 1.015 172 L CA -0.124 54.714 54.840 -0.004 0.000 0.831 172 L CB 0.769 42.849 42.059 0.035 0.000 1.217 172 L HN 0.523 nan 8.230 nan 0.000 0.420 173 N N 3.500 122.126 118.700 -0.124 0.000 2.721 173 N HA -0.226 4.516 4.740 0.002 0.000 0.249 173 N C 1.105 176.533 175.510 -0.136 0.000 1.072 173 N CA 1.286 54.214 53.050 -0.203 0.000 0.710 173 N CB -0.875 37.375 38.487 -0.396 0.000 0.993 173 N HN 1.071 nan 8.380 nan 0.000 0.547 174 G N -1.680 107.059 108.800 -0.101 0.000 2.199 174 G HA2 -0.359 3.602 3.960 0.002 0.000 0.254 174 G HA3 -0.359 3.602 3.960 0.002 0.000 0.254 174 G C 0.096 175.089 174.900 0.156 0.000 0.982 174 G CA 0.612 45.670 45.100 -0.069 0.000 0.632 174 G HN 0.578 nan 8.290 nan 0.000 0.529 175 R N -0.006 120.561 120.500 0.111 0.000 2.637 175 R HA 0.698 5.040 4.340 0.002 0.000 0.291 175 R C 0.399 176.753 176.300 0.090 0.000 0.963 175 R CA 0.167 56.342 56.100 0.124 0.000 0.901 175 R CB 2.094 32.477 30.300 0.137 0.000 1.160 175 R HN 0.631 nan 8.270 nan 0.000 0.457 176 G N 0.863 109.713 108.800 0.082 0.000 2.682 176 G HA2 0.506 4.467 3.960 0.002 0.000 0.290 176 G HA3 0.506 4.467 3.960 0.002 0.000 0.290 176 G C -1.690 173.268 174.900 0.097 0.000 1.425 176 G CA -0.607 44.542 45.100 0.081 0.000 0.807 176 G HN 0.328 nan 8.290 nan 0.000 0.482 177 Q N -0.698 119.165 119.800 0.105 0.000 2.347 177 Q HA 0.655 4.997 4.340 0.002 0.000 0.271 177 Q C -1.636 174.469 176.000 0.176 0.000 1.064 177 Q CA -0.505 55.371 55.803 0.122 0.000 0.800 177 Q CB 3.025 31.802 28.738 0.066 0.000 1.304 177 Q HN 0.513 nan 8.270 nan 0.000 0.438 178 F N 2.174 122.159 119.950 0.059 0.000 2.495 178 F HA 0.404 4.933 4.527 0.002 0.000 0.327 178 F C 0.019 175.849 175.800 0.050 0.000 1.103 178 F CA -0.491 57.552 58.000 0.072 0.000 0.949 178 F CB 1.326 40.434 39.000 0.181 0.000 1.142 178 F HN 0.639 nan 8.300 nan 0.000 0.457 179 D N 2.262 122.250 120.400 -0.686 0.000 3.077 179 D HA -0.250 4.391 4.640 0.002 0.000 0.217 179 D C -0.586 175.607 176.300 -0.179 0.000 1.162 179 D CA 1.589 55.321 54.000 -0.447 0.000 0.943 179 D CB -1.268 39.353 40.800 -0.298 0.000 1.122 179 D HN 0.640 nan 8.370 nan 0.000 0.413 180 c N -2.963 115.566 118.600 -0.119 0.000 3.291 180 c HA 0.865 5.437 4.570 0.002 0.000 0.316 180 c C -0.177 173.875 174.090 -0.063 0.000 1.391 180 c CA -0.477 55.811 56.329 -0.069 0.000 1.394 180 c CB 2.261 44.755 42.510 -0.026 0.000 1.744 180 c HN 0.233 nan 8.230 nan 0.000 0.461 181 S N -0.350 115.319 115.700 -0.051 0.000 2.536 181 S HA 0.618 5.090 4.470 0.002 0.000 0.287 181 S C 0.342 174.931 174.600 -0.019 0.000 1.101 181 S CA -0.596 57.572 58.200 -0.054 0.000 0.950 181 S CB 1.101 64.252 63.200 -0.080 0.000 1.056 181 S HN 1.364 nan 8.310 nan 0.000 0.481 182 I N 1.726 122.301 120.570 0.008 0.000 3.564 182 I HA 0.451 4.623 4.170 0.002 0.000 0.294 182 I C 0.918 177.131 176.117 0.160 0.000 1.289 182 I CA 0.288 61.644 61.300 0.094 0.000 1.325 182 I CB -0.108 37.990 38.000 0.162 0.000 1.039 182 I HN 0.499 nan 8.210 nan 0.000 0.474 183 A N 0.958 123.783 122.820 0.009 0.000 2.749 183 A HA 0.761 5.082 4.320 0.002 0.000 0.299 183 A C 1.670 179.272 177.584 0.030 0.000 1.105 183 A CA 0.213 52.270 52.037 0.034 0.000 0.987 183 A CB -0.161 18.581 19.000 -0.430 0.000 1.180 183 A HN 0.409 nan 8.150 nan 0.000 0.528 184 A N 0.843 123.648 122.820 -0.025 0.000 2.168 184 A HA -0.048 4.274 4.320 0.002 0.000 0.215 184 A C 1.911 179.429 177.584 -0.110 0.000 1.152 184 A CA 1.465 53.471 52.037 -0.053 0.000 0.716 184 A CB -0.385 18.585 19.000 -0.051 0.000 0.794 184 A HN 0.668 nan 8.150 nan 0.000 0.465 185 K N -1.379 118.873 120.400 -0.247 0.000 2.288 185 K HA -0.108 4.213 4.320 0.002 0.000 0.201 185 K C 0.918 177.282 176.600 -0.393 0.000 1.048 185 K CA 1.357 57.427 56.287 -0.362 0.000 0.956 185 K CB -0.421 31.789 32.500 -0.482 0.000 0.746 185 K HN 0.453 nan 8.250 nan 0.000 0.461 186 Y N 0.591 120.887 120.300 -0.006 0.000 2.511 186 Y HA 0.176 4.728 4.550 0.002 0.000 0.279 186 Y C -0.132 175.748 175.900 -0.034 0.000 1.157 186 Y CA -0.253 57.837 58.100 -0.017 0.000 1.300 186 Y CB 0.387 38.829 38.460 -0.029 0.000 1.052 186 Y HN 0.139 nan 8.280 nan 0.000 0.529 187 D N -1.142 119.287 120.400 0.048 0.000 2.470 187 D HA 0.129 4.771 4.640 0.002 0.000 0.233 187 D C 0.167 176.457 176.300 -0.016 0.000 1.372 187 D CA -0.218 53.792 54.000 0.017 0.000 0.994 187 D CB 1.125 41.934 40.800 0.014 0.000 1.377 187 D HN -0.043 nan 8.370 nan 0.000 0.586 188 S N 2.377 118.065 115.700 -0.020 0.000 2.584 188 S HA -0.094 4.377 4.470 0.002 0.000 0.240 188 S C 1.254 175.837 174.600 -0.028 0.000 0.975 188 S CA 0.377 58.561 58.200 -0.027 0.000 0.949 188 S CB -0.375 62.811 63.200 -0.024 0.000 0.761 188 S HN 0.583 nan 8.310 nan 0.000 0.536 189 N N 0.400 119.083 118.700 -0.027 0.000 2.422 189 N HA 0.208 4.949 4.740 0.002 0.000 0.181 189 N C -0.221 175.265 175.510 -0.041 0.000 1.080 189 N CA 0.057 53.089 53.050 -0.031 0.000 0.893 189 N CB 0.080 38.549 38.487 -0.030 0.000 0.973 189 N HN 0.359 nan 8.380 nan 0.000 0.456 190 L N 1.126 122.323 121.223 -0.044 0.000 2.334 190 L HA 0.293 4.635 4.340 0.002 0.000 0.277 190 L C 0.053 176.893 176.870 -0.051 0.000 1.075 190 L CA -0.566 54.241 54.840 -0.054 0.000 0.804 190 L CB 1.246 43.272 42.059 -0.055 0.000 1.174 190 L HN -0.047 nan 8.230 nan 0.000 0.438 191 E N 3.686 123.852 120.200 -0.057 0.000 2.259 191 E HA 0.279 4.631 4.350 0.002 0.000 0.281 191 E C -2.412 174.163 176.600 -0.042 0.000 1.027 191 E CA -1.758 54.614 56.400 -0.047 0.000 0.838 191 E CB 1.062 30.732 29.700 -0.051 0.000 1.066 191 E HN 0.160 nan 8.360 nan 0.000 0.401 192 P HA 0.090 nan 4.420 nan 0.000 0.276 192 P C -0.674 176.617 177.300 -0.015 0.000 1.235 192 P CA -0.388 62.697 63.100 -0.025 0.000 0.772 192 P CB 0.560 32.243 31.700 -0.028 0.000 0.871 193 c N 4.016 122.613 118.600 -0.004 0.000 2.605 193 c HA 0.212 4.783 4.570 0.002 0.000 0.404 193 c C 0.899 174.992 174.090 0.004 0.000 1.284 193 c CA -0.200 56.131 56.329 0.005 0.000 2.199 193 c CB -0.593 41.927 42.510 0.017 0.000 2.647 193 c HN 0.478 nan 8.230 nan 0.000 0.604 194 K N 2.587 122.990 120.400 0.004 0.000 2.347 194 K HA 0.630 4.952 4.320 0.002 0.000 0.262 194 K C -1.120 175.482 176.600 0.003 0.000 1.052 194 K CA 0.175 56.462 56.287 0.001 0.000 0.946 194 K CB 0.460 32.958 32.500 -0.003 0.000 1.220 194 K HN 0.523 nan 8.250 nan 0.000 0.450 195 L N 3.110 124.336 121.223 0.006 0.000 2.439 195 L HA 0.330 4.671 4.340 0.002 0.000 0.270 195 L C 0.567 177.441 176.870 0.007 0.000 0.972 195 L CA -0.606 54.239 54.840 0.008 0.000 0.836 195 L CB 1.970 44.040 42.059 0.018 0.000 1.255 195 L HN 0.467 nan 8.230 nan 0.000 0.404 196 K N 1.814 122.217 120.400 0.004 0.000 2.459 196 K HA 0.177 4.498 4.320 0.002 0.000 0.193 196 K C 1.217 177.822 176.600 0.009 0.000 1.030 196 K CA 0.657 56.946 56.287 0.004 0.000 1.026 196 K CB 0.355 32.856 32.500 0.001 0.000 0.809 196 K HN 0.986 nan 8.250 nan 0.000 0.504 197 G N 1.257 110.065 108.800 0.013 0.000 2.176 197 G HA2 -0.276 3.685 3.960 0.002 0.000 0.232 197 G HA3 -0.276 3.685 3.960 0.002 0.000 0.232 197 G C 0.886 175.799 174.900 0.023 0.000 0.986 197 G CA 0.557 45.669 45.100 0.020 0.000 0.643 197 G HN 0.380 nan 8.290 nan 0.000 0.522 198 S N -0.602 115.107 115.700 0.015 0.000 2.503 198 S HA 0.393 4.864 4.470 0.002 0.000 0.215 198 S C 0.662 175.268 174.600 0.010 0.000 1.003 198 S CA 0.624 58.834 58.200 0.016 0.000 0.910 198 S CB 0.630 63.835 63.200 0.009 0.000 0.790 198 S HN 0.492 nan 8.310 nan 0.000 0.514 199 E N 2.530 122.728 120.200 -0.002 0.000 2.409 199 E HA 0.288 4.639 4.350 0.002 0.000 0.257 199 E C 1.182 177.767 176.600 -0.024 0.000 1.150 199 E CA 0.377 56.758 56.400 -0.030 0.000 0.942 199 E CB 0.377 30.058 29.700 -0.031 0.000 0.979 199 E HN 0.310 nan 8.360 nan 0.000 0.447 200 S N -0.303 115.339 115.700 -0.098 0.000 2.419 200 S HA -0.192 4.280 4.470 0.002 0.000 0.233 200 S C 1.727 176.334 174.600 0.011 0.000 1.016 200 S CA 1.006 59.143 58.200 -0.105 0.000 0.974 200 S CB -0.666 62.252 63.200 -0.471 0.000 0.786 200 S HN 0.733 nan 8.310 nan 0.000 0.492 201 c N 1.079 119.674 118.600 -0.010 0.000 2.906 201 c HA 0.790 5.362 4.570 0.002 0.000 0.274 201 c C 1.163 175.287 174.090 0.058 0.000 1.257 201 c CA -1.094 55.257 56.329 0.036 0.000 1.695 201 c CB -1.732 40.789 42.510 0.018 0.000 1.958 201 c HN 0.573 nan 8.230 nan 0.000 0.619 202 A N 3.512 126.363 122.820 0.053 0.000 2.520 202 A HA 0.505 4.827 4.320 0.002 0.000 0.245 202 A C -1.748 175.888 177.584 0.086 0.000 1.072 202 A CA -0.597 51.475 52.037 0.058 0.000 0.761 202 A CB -0.229 18.799 19.000 0.047 0.000 1.004 202 A HN 0.586 nan 8.150 nan 0.000 0.499 203 P HA -0.105 nan 4.420 nan 0.000 0.265 203 P C -0.841 176.537 177.300 0.131 0.000 1.187 203 P CA 0.482 63.643 63.100 0.102 0.000 0.766 203 P CB 0.202 31.947 31.700 0.075 0.000 0.820 204 Y N 3.810 124.138 120.300 0.046 0.000 2.585 204 Y HA 0.255 4.806 4.550 0.003 0.000 0.354 204 Y C 0.106 176.041 175.900 0.059 0.000 1.024 204 Y CA -0.452 57.695 58.100 0.078 0.000 1.321 204 Y CB -0.394 38.141 38.460 0.124 0.000 1.151 204 Y HN 0.155 nan 8.280 nan 0.000 0.525 205 I N 6.649 127.121 120.570 -0.164 0.000 2.575 205 I HA 0.026 4.197 4.170 0.002 0.000 0.285 205 I C -0.629 175.352 176.117 -0.228 0.000 1.085 205 I CA 0.040 61.198 61.300 -0.237 0.000 1.403 205 I CB 0.062 37.848 38.000 -0.357 0.000 1.409 205 I HN 0.365 nan 8.210 nan 0.000 0.557 206 F N 5.199 124.954 119.950 -0.324 0.000 2.390 206 F HA 0.292 4.820 4.527 0.002 0.000 0.361 206 F C 0.531 176.106 175.800 -0.376 0.000 1.124 206 F CA -0.654 57.195 58.000 -0.253 0.000 1.149 206 F CB -0.201 38.739 39.000 -0.101 0.000 1.160 206 F HN 0.324 nan 8.300 nan 0.000 0.501 207 H N 3.415 122.488 119.070 0.006 0.000 2.552 207 H HA 0.542 5.100 4.556 0.002 0.000 0.311 207 H C -0.227 174.995 175.328 -0.176 0.000 1.071 207 H CA -0.348 55.665 56.048 -0.058 0.000 1.307 207 H CB 1.792 31.523 29.762 -0.052 0.000 1.416 207 H HN 0.418 nan 8.280 nan 0.000 0.464 208 V N 0.702 120.547 119.914 -0.115 0.000 2.914 208 V HA 0.601 4.723 4.120 0.002 0.000 0.314 208 V C 0.182 176.190 176.094 -0.143 0.000 1.084 208 V CA -0.945 61.152 62.300 -0.338 0.000 0.963 208 V CB 2.151 33.558 31.823 -0.694 0.000 1.025 208 V HN 0.600 nan 8.190 nan 0.000 0.432 209 S N 3.536 119.256 115.700 0.033 0.000 2.585 209 S HA 0.631 5.103 4.470 0.002 0.000 0.277 209 S C -2.537 172.048 174.600 -0.025 0.000 1.241 209 S CA -0.921 57.305 58.200 0.044 0.000 1.041 209 S CB 1.201 64.473 63.200 0.119 0.000 0.987 209 S HN 0.813 nan 8.310 nan 0.000 0.512 210 P HA -0.002 nan 4.420 nan 0.000 0.268 210 P C 0.156 177.504 177.300 0.081 0.000 1.208 210 P CA 0.070 63.199 63.100 0.049 0.000 0.777 210 P CB 0.252 32.064 31.700 0.186 0.000 0.875 211 K N -0.280 120.186 120.400 0.109 0.000 3.016 211 K HA -0.225 4.096 4.320 0.002 0.000 0.262 211 K C -0.992 175.646 176.600 0.063 0.000 1.043 211 K CA 1.478 57.821 56.287 0.093 0.000 0.761 211 K CB -1.314 31.237 32.500 0.086 0.000 1.230 211 K HN 0.451 nan 8.250 nan 0.000 0.485 212 K N 0.128 120.563 120.400 0.058 0.000 2.306 212 K HA 0.454 4.775 4.320 0.002 0.000 0.236 212 K C -0.271 176.271 176.600 -0.096 0.000 1.013 212 K CA -0.693 55.556 56.287 -0.063 0.000 0.857 212 K CB 1.525 33.922 32.500 -0.171 0.000 1.214 212 K HN 0.082 nan 8.250 nan 0.000 0.449 213 T N 1.562 115.963 114.554 -0.255 0.000 2.792 213 T HA 0.506 4.857 4.350 0.002 0.000 0.280 213 T C -1.205 173.284 174.700 -0.350 0.000 0.990 213 T CA -0.464 61.553 62.100 -0.138 0.000 0.960 213 T CB 0.212 69.082 68.868 0.003 0.000 0.939 213 T HN 0.244 nan 8.240 nan 0.000 0.439 214 Y N 1.482 121.793 120.300 0.019 0.000 2.409 214 Y HA 0.570 5.121 4.550 0.002 0.000 0.343 214 Y C 0.356 176.174 175.900 -0.136 0.000 0.973 214 Y CA -1.355 56.726 58.100 -0.032 0.000 1.064 214 Y CB 1.487 39.913 38.460 -0.057 0.000 1.207 214 Y HN 0.483 nan 8.280 nan 0.000 0.452 215 R N 3.623 124.007 120.500 -0.193 0.000 2.216 215 R HA 0.523 4.865 4.340 0.002 0.000 0.332 215 R C -1.575 174.575 176.300 -0.251 0.000 1.056 215 R CA 0.023 55.875 56.100 -0.412 0.000 0.901 215 R CB -0.003 29.662 30.300 -1.058 0.000 1.039 215 R HN 0.734 nan 8.270 nan 0.000 0.456 216 I N 5.639 126.085 120.570 -0.207 0.000 2.304 216 I HA 0.314 4.486 4.170 0.002 0.000 0.291 216 I C 0.261 176.227 176.117 -0.252 0.000 1.018 216 I CA -0.722 60.440 61.300 -0.230 0.000 1.260 216 I CB 1.328 39.221 38.000 -0.179 0.000 1.390 216 I HN 0.538 nan 8.210 nan 0.000 0.475 217 R N 6.979 127.333 120.500 -0.244 0.000 2.254 217 R HA 0.671 5.012 4.340 0.002 0.000 0.318 217 R C -0.958 175.196 176.300 -0.243 0.000 1.031 217 R CA -0.484 55.486 56.100 -0.216 0.000 0.905 217 R CB 1.263 31.458 30.300 -0.175 0.000 1.050 217 R HN 0.517 nan 8.270 nan 0.000 0.456 218 I N 1.924 122.352 120.570 -0.237 0.000 2.478 218 I HA 0.493 4.664 4.170 0.002 0.000 0.287 218 I C -0.514 175.476 176.117 -0.212 0.000 1.042 218 I CA -0.488 60.654 61.300 -0.264 0.000 1.067 218 I CB 2.182 39.961 38.000 -0.367 0.000 1.233 218 I HN 0.643 nan 8.210 nan 0.000 0.431 219 A N 3.821 126.478 122.820 -0.272 0.000 2.435 219 A HA 0.856 5.177 4.320 0.002 0.000 0.304 219 A C -0.876 176.401 177.584 -0.511 0.000 1.064 219 A CA -0.634 51.184 52.037 -0.365 0.000 0.727 219 A CB 2.023 20.771 19.000 -0.419 0.000 1.284 219 A HN 0.529 nan 8.150 nan 0.000 0.415 220 S N 0.259 115.613 115.700 -0.577 0.000 2.498 220 S HA 0.581 5.052 4.470 0.002 0.000 0.317 220 S C -0.093 174.078 174.600 -0.715 0.000 1.090 220 S CA -0.042 57.846 58.200 -0.521 0.000 1.089 220 S CB 0.606 63.652 63.200 -0.256 0.000 0.997 220 S HN 0.873 nan 8.310 nan 0.000 0.470 221 T N 1.864 116.005 114.554 -0.689 0.000 3.308 221 T HA 0.212 4.564 4.350 0.002 0.000 0.270 221 T C 0.610 175.117 174.700 -0.323 0.000 0.992 221 T CA -0.499 61.297 62.100 -0.506 0.000 0.931 221 T CB -0.584 67.904 68.868 -0.632 0.000 1.142 221 T HN 0.752 nan 8.240 nan 0.000 0.525 222 T N -0.577 113.857 114.554 -0.199 0.000 2.900 222 T HA 0.515 4.867 4.350 0.002 0.000 0.307 222 T C 1.606 176.308 174.700 0.002 0.000 1.065 222 T CA -0.184 61.869 62.100 -0.079 0.000 1.105 222 T CB 1.208 70.051 68.868 -0.042 0.000 0.979 222 T HN 0.204 nan 8.240 nan 0.000 0.544 223 A N 1.569 124.436 122.820 0.080 0.000 1.975 223 A HA 0.312 4.634 4.320 0.002 0.000 0.215 223 A C 1.826 179.436 177.584 0.044 0.000 1.170 223 A CA 0.780 52.839 52.037 0.036 0.000 0.656 223 A CB -0.456 18.559 19.000 0.026 0.000 0.821 223 A HN 0.789 nan 8.150 nan 0.000 0.449 224 L N -2.683 118.637 121.223 0.161 0.000 2.658 224 L HA 0.566 4.907 4.340 0.002 0.000 0.222 224 L C 1.014 177.945 176.870 0.102 0.000 1.033 224 L CA 0.944 55.866 54.840 0.136 0.000 0.949 224 L CB -0.164 42.067 42.059 0.286 0.000 1.698 224 L HN 0.152 nan 8.230 nan 0.000 0.498 225 A N 1.024 123.888 122.820 0.073 0.000 2.462 225 A HA 0.645 4.967 4.320 0.002 0.000 0.243 225 A C 0.129 177.716 177.584 0.004 0.000 1.076 225 A CA 0.309 52.359 52.037 0.023 0.000 0.773 225 A CB -0.186 18.790 19.000 -0.040 0.000 1.010 225 A HN 0.465 nan 8.150 nan 0.000 0.493 226 A N 2.512 125.332 122.820 -0.000 0.000 2.290 226 A HA 0.685 5.007 4.320 0.002 0.000 0.310 226 A C -0.293 177.202 177.584 -0.148 0.000 1.202 226 A CA -0.390 51.583 52.037 -0.107 0.000 0.837 226 A CB 0.303 19.264 19.000 -0.065 0.000 1.139 226 A HN 0.825 nan 8.150 nan 0.000 0.509 227 L N 1.974 123.070 121.223 -0.211 0.000 2.323 227 L HA 0.559 4.900 4.340 0.002 0.000 0.265 227 L C -0.049 176.716 176.870 -0.175 0.000 1.012 227 L CA -0.861 53.889 54.840 -0.150 0.000 0.820 227 L CB 2.090 44.087 42.059 -0.104 0.000 1.334 227 L HN 0.806 nan 8.230 nan 0.000 0.427 228 N N 1.111 119.737 118.700 -0.123 0.000 2.399 228 N HA 0.311 5.053 4.740 0.002 0.000 0.284 228 N C -1.881 173.593 175.510 -0.061 0.000 1.025 228 N CA -0.358 52.615 53.050 -0.128 0.000 0.885 228 N CB 1.980 40.382 38.487 -0.141 0.000 1.339 228 N HN 0.406 nan 8.380 nan 0.000 0.487 229 F N 3.381 123.221 119.950 -0.184 0.000 2.410 229 F HA 0.700 5.228 4.527 0.002 0.000 0.349 229 F C -0.603 175.128 175.800 -0.115 0.000 1.117 229 F CA -0.248 57.672 58.000 -0.134 0.000 1.104 229 F CB 1.049 39.974 39.000 -0.125 0.000 1.122 229 F HN 0.548 nan 8.300 nan 0.000 0.483 230 A N 7.030 129.411 122.820 -0.731 0.000 2.520 230 A HA 0.737 5.058 4.320 0.002 0.000 0.298 230 A C -1.580 175.675 177.584 -0.548 0.000 1.051 230 A CA -0.659 51.089 52.037 -0.482 0.000 0.690 230 A CB 1.108 19.965 19.000 -0.238 0.000 1.281 230 A HN 0.704 nan 8.150 nan 0.000 0.402 231 I N 1.832 122.230 120.570 -0.286 0.000 2.433 231 I HA 0.457 4.629 4.170 0.002 0.000 0.292 231 I C 1.049 177.188 176.117 0.036 0.000 1.001 231 I CA -0.792 60.435 61.300 -0.121 0.000 1.119 231 I CB 1.970 39.941 38.000 -0.048 0.000 1.289 231 I HN 0.827 nan 8.210 nan 0.000 0.438 232 G N 3.288 112.157 108.800 0.114 0.000 2.305 232 G HA2 0.030 3.991 3.960 0.002 0.000 0.243 232 G HA3 0.030 3.991 3.960 0.002 0.000 0.243 232 G C 0.444 175.452 174.900 0.181 0.000 1.288 232 G CA 0.110 45.311 45.100 0.168 0.000 0.901 232 G HN 0.953 nan 8.290 nan 0.000 0.516 233 N N -0.633 118.093 118.700 0.044 0.000 2.815 233 N HA -0.193 4.548 4.740 0.002 0.000 0.247 233 N C -0.329 174.981 175.510 -0.333 0.000 1.030 233 N CA 1.680 54.645 53.050 -0.141 0.000 0.881 233 N CB -1.200 37.154 38.487 -0.222 0.000 1.134 233 N HN 0.807 nan 8.380 nan 0.000 0.582 234 H N -0.193 118.821 119.070 -0.093 0.000 2.529 234 H HA 0.377 4.935 4.556 0.002 0.000 0.348 234 H C -0.157 175.177 175.328 0.010 0.000 1.079 234 H CA -0.633 55.384 56.048 -0.051 0.000 1.198 234 H CB 0.945 30.686 29.762 -0.036 0.000 1.521 234 H HN -0.024 nan 8.280 nan 0.000 0.514 235 Q N 2.182 122.051 119.800 0.114 0.000 2.354 235 Q HA 0.324 4.666 4.340 0.002 0.000 0.244 235 Q C -0.484 175.643 176.000 0.212 0.000 0.969 235 Q CA -0.265 55.627 55.803 0.150 0.000 0.885 235 Q CB 1.614 30.426 28.738 0.123 0.000 1.241 235 Q HN 0.552 nan 8.270 nan 0.000 0.461 236 L N 2.290 123.631 121.223 0.196 0.000 2.341 236 L HA 0.472 4.813 4.340 0.002 0.000 0.278 236 L C -0.545 176.326 176.870 0.002 0.000 1.005 236 L CA -0.966 53.938 54.840 0.106 0.000 0.818 236 L CB 1.351 43.458 42.059 0.080 0.000 1.259 236 L HN 0.336 nan 8.230 nan 0.000 0.418 237 L N 4.050 125.180 121.223 -0.156 0.000 2.276 237 L HA 0.441 4.782 4.340 0.002 0.000 0.286 237 L C -0.398 176.207 176.870 -0.441 0.000 1.024 237 L CA -0.255 54.302 54.840 -0.472 0.000 0.826 237 L CB 1.492 43.207 42.059 -0.574 0.000 1.211 237 L HN 0.312 nan 8.230 nan 0.000 0.422 238 V N 6.430 125.990 119.914 -0.589 0.000 2.470 238 V HA 0.103 4.224 4.120 0.002 0.000 0.276 238 V C 0.990 176.862 176.094 -0.369 0.000 1.040 238 V CA 0.448 62.446 62.300 -0.505 0.000 1.008 238 V CB 0.919 32.249 31.823 -0.821 0.000 0.990 238 V HN 0.752 nan 8.190 nan 0.000 0.477 239 V N 0.963 120.703 119.914 -0.290 0.000 3.562 239 V HA 0.481 4.602 4.120 0.002 0.000 0.270 239 V C 0.395 176.464 176.094 -0.041 0.000 1.418 239 V CA 0.260 62.392 62.300 -0.280 0.000 1.033 239 V CB 0.428 31.768 31.823 -0.806 0.000 0.820 239 V HN 0.785 nan 8.190 nan 0.000 0.441 240 E N 0.573 120.764 120.200 -0.015 0.000 2.343 240 E HA 0.739 5.091 4.350 0.002 0.000 0.278 240 E C -1.652 174.946 176.600 -0.004 0.000 0.910 240 E CA -0.222 56.186 56.400 0.013 0.000 0.757 240 E CB 2.579 32.263 29.700 -0.026 0.000 1.218 240 E HN 0.471 nan 8.360 nan 0.000 0.435 241 A N 3.275 126.035 122.820 -0.100 0.000 2.408 241 A HA 0.505 4.826 4.320 0.002 0.000 0.295 241 A C -0.842 176.570 177.584 -0.285 0.000 1.040 241 A CA -0.433 51.427 52.037 -0.294 0.000 0.707 241 A CB 0.902 19.814 19.000 -0.146 0.000 1.235 241 A HN 0.741 nan 8.150 nan 0.000 0.418 242 D N 1.552 121.747 120.400 -0.341 0.000 2.701 242 D HA -0.164 4.478 4.640 0.002 0.000 0.235 242 D C 1.139 177.334 176.300 -0.175 0.000 1.155 242 D CA 3.001 56.870 54.000 -0.219 0.000 0.649 242 D CB -1.262 39.440 40.800 -0.164 0.000 1.050 242 D HN 2.132 nan 8.370 nan 0.000 0.425 243 G N -0.729 107.867 108.800 -0.341 0.000 2.160 243 G HA2 -0.325 3.637 3.960 0.002 0.000 0.251 243 G HA3 -0.325 3.637 3.960 0.002 0.000 0.251 243 G C -0.003 174.742 174.900 -0.258 0.000 1.008 243 G CA 0.237 45.140 45.100 -0.328 0.000 0.724 243 G HN 0.523 nan 8.290 nan 0.000 0.514 244 N N -0.902 117.619 118.700 -0.298 0.000 2.264 244 N HA 0.479 5.220 4.740 0.002 0.000 0.288 244 N C -1.112 174.255 175.510 -0.239 0.000 1.094 244 N CA -0.577 52.300 53.050 -0.288 0.000 0.817 244 N CB 1.281 39.677 38.487 -0.152 0.000 1.604 244 N HN 0.061 nan 8.380 nan 0.000 0.473 245 Y N 0.226 120.566 120.300 0.067 0.000 2.304 245 Y HA 0.307 4.858 4.550 0.002 0.000 0.328 245 Y C 1.025 176.983 175.900 0.096 0.000 1.123 245 Y CA -0.733 57.428 58.100 0.102 0.000 1.218 245 Y CB 0.735 39.285 38.460 0.150 0.000 1.207 245 Y HN 0.165 nan 8.280 nan 0.000 0.495 246 V N 0.611 120.674 119.914 0.248 0.000 2.850 246 V HA 0.452 4.574 4.120 0.002 0.000 0.315 246 V C -0.257 175.957 176.094 0.200 0.000 1.064 246 V CA -1.490 60.936 62.300 0.210 0.000 0.979 246 V CB 1.663 33.622 31.823 0.226 0.000 1.039 246 V HN 0.808 nan 8.190 nan 0.000 0.452 247 Q N 2.756 122.671 119.800 0.192 0.000 2.244 247 Q HA 0.260 4.602 4.340 0.002 0.000 0.278 247 Q C -2.334 173.786 176.000 0.201 0.000 1.093 247 Q CA -1.080 54.824 55.803 0.168 0.000 0.916 247 Q CB 0.583 29.408 28.738 0.144 0.000 1.159 247 Q HN 0.666 nan 8.270 nan 0.000 0.384 248 P HA 0.050 nan 4.420 nan 0.000 0.267 248 P C -1.323 176.033 177.300 0.093 0.000 1.200 248 P CA 0.279 63.376 63.100 -0.005 0.000 0.772 248 P CB 0.243 31.880 31.700 -0.105 0.000 0.855 249 F N -0.278 119.573 119.950 -0.165 0.000 2.665 249 F HA 0.531 5.060 4.527 0.002 0.000 0.308 249 F C -1.644 174.048 175.800 -0.180 0.000 1.112 249 F CA -1.421 56.511 58.000 -0.114 0.000 0.972 249 F CB 0.526 39.519 39.000 -0.013 0.000 1.295 249 F HN 0.155 nan 8.300 nan 0.000 0.440 250 Y N 0.668 121.061 120.300 0.155 0.000 2.307 250 Y HA 0.668 5.220 4.550 0.002 0.000 0.324 250 Y C 0.706 176.711 175.900 0.175 0.000 1.238 250 Y CA -0.135 58.009 58.100 0.073 0.000 1.280 250 Y CB 1.803 40.310 38.460 0.077 0.000 1.248 250 Y HN 0.935 nan 8.280 nan 0.000 0.508 251 T N -0.738 113.988 114.554 0.286 0.000 2.840 251 T HA 0.240 4.592 4.350 0.002 0.000 0.317 251 T C 0.328 175.127 174.700 0.166 0.000 1.401 251 T CA -0.156 62.099 62.100 0.258 0.000 1.028 251 T CB 0.697 69.765 68.868 0.333 0.000 1.317 251 T HN 0.634 nan 8.240 nan 0.000 0.495 252 S N 1.324 117.095 115.700 0.119 0.000 2.501 252 S HA 0.289 4.760 4.470 0.002 0.000 0.220 252 S C 0.175 174.791 174.600 0.026 0.000 0.997 252 S CA 0.769 59.008 58.200 0.064 0.000 0.919 252 S CB -0.569 62.654 63.200 0.039 0.000 0.778 252 S HN 0.905 nan 8.310 nan 0.000 0.523 253 D N -0.137 120.269 120.400 0.011 0.000 2.683 253 D HA 0.526 5.167 4.640 0.002 0.000 0.246 253 D C -0.870 175.338 176.300 -0.152 0.000 1.238 253 D CA -1.000 52.970 54.000 -0.050 0.000 0.759 253 D CB 0.774 41.516 40.800 -0.097 0.000 1.349 253 D HN 0.342 nan 8.370 nan 0.000 0.426 254 I N -2.286 118.147 120.570 -0.228 0.000 2.646 254 I HA 0.674 4.846 4.170 0.002 0.000 0.299 254 I C -1.069 174.678 176.117 -0.616 0.000 1.036 254 I CA -0.955 59.950 61.300 -0.659 0.000 1.074 254 I CB 1.977 39.623 38.000 -0.590 0.000 1.258 254 I HN 0.164 nan 8.210 nan 0.000 0.430 255 D N 4.623 124.484 120.400 -0.899 0.000 2.210 255 D HA 0.587 5.228 4.640 0.002 0.000 0.249 255 D C -0.842 175.258 176.300 -0.333 0.000 1.062 255 D CA 0.112 53.823 54.000 -0.481 0.000 0.891 255 D CB 2.774 43.398 40.800 -0.293 0.000 1.186 255 D HN 0.612 nan 8.370 nan 0.000 0.432 256 I N 1.990 122.366 120.570 -0.322 0.000 2.610 256 I HA 0.237 4.409 4.170 0.002 0.000 0.289 256 I C -1.594 174.367 176.117 -0.260 0.000 1.163 256 I CA -0.651 60.594 61.300 -0.092 0.000 1.044 256 I CB 1.032 39.035 38.000 0.004 0.000 1.251 256 I HN 0.198 nan 8.210 nan 0.000 0.424 257 Y N 4.151 124.522 120.300 0.118 0.000 2.419 257 Y HA 0.357 4.908 4.550 0.003 0.000 0.328 257 Y C 0.921 176.834 175.900 0.023 0.000 1.162 257 Y CA -0.263 57.882 58.100 0.076 0.000 1.174 257 Y CB 1.629 40.154 38.460 0.109 0.000 1.228 257 Y HN 0.490 nan 8.280 nan 0.000 0.473 258 S N 1.061 116.853 115.700 0.155 0.000 2.575 258 S HA 0.302 4.774 4.470 0.002 0.000 0.295 258 S C 1.022 175.583 174.600 -0.065 0.000 1.267 258 S CA 1.210 59.445 58.200 0.058 0.000 1.074 258 S CB -0.687 62.612 63.200 0.165 0.000 0.829 258 S HN 1.156 nan 8.310 nan 0.000 0.497 259 G N 3.866 112.512 108.800 -0.258 0.000 2.238 259 G HA2 -0.160 3.801 3.960 0.002 0.000 0.217 259 G HA3 -0.160 3.801 3.960 0.002 0.000 0.217 259 G C -0.190 174.672 174.900 -0.063 0.000 0.996 259 G CA 0.014 44.883 45.100 -0.385 0.000 0.632 259 G HN 0.670 nan 8.290 nan 0.000 0.503 260 E N 0.754 120.949 120.200 -0.009 0.000 2.283 260 E HA 0.602 4.953 4.350 0.002 0.000 0.271 260 E C -0.004 176.535 176.600 -0.103 0.000 1.031 260 E CA 0.102 56.486 56.400 -0.027 0.000 0.868 260 E CB 1.564 31.303 29.700 0.064 0.000 1.094 260 E HN 0.517 nan 8.360 nan 0.000 0.401 261 S N 1.223 116.775 115.700 -0.245 0.000 2.541 261 S HA 0.610 5.081 4.470 0.002 0.000 0.280 261 S C -1.323 172.996 174.600 -0.468 0.000 1.112 261 S CA -0.811 57.246 58.200 -0.238 0.000 0.925 261 S CB 0.773 63.879 63.200 -0.157 0.000 1.067 261 S HN 0.433 nan 8.310 nan 0.000 0.479 262 Y N 0.076 120.298 120.300 -0.129 0.000 2.581 262 Y HA 0.697 5.248 4.550 0.002 0.000 0.345 262 Y C 0.098 175.886 175.900 -0.186 0.000 1.036 262 Y CA -0.743 57.281 58.100 -0.126 0.000 1.042 262 Y CB 2.750 41.149 38.460 -0.102 0.000 1.289 262 Y HN 0.772 nan 8.280 nan 0.000 0.471 263 S N 1.144 116.838 115.700 -0.010 0.000 2.502 263 S HA 0.687 5.158 4.470 0.002 0.000 0.304 263 S C -1.233 173.269 174.600 -0.164 0.000 1.097 263 S CA -0.657 57.468 58.200 -0.124 0.000 1.045 263 S CB 1.596 64.709 63.200 -0.145 0.000 1.019 263 S HN 0.362 nan 8.310 nan 0.000 0.481 264 V N 3.905 123.698 119.914 -0.201 0.000 2.715 264 V HA 0.582 4.704 4.120 0.002 0.000 0.310 264 V C -1.097 174.876 176.094 -0.202 0.000 1.054 264 V CA -0.723 61.456 62.300 -0.203 0.000 0.928 264 V CB 1.877 33.603 31.823 -0.162 0.000 1.007 264 V HN 0.662 nan 8.190 nan 0.000 0.437 265 L N 5.520 126.631 121.223 -0.188 0.000 2.325 265 L HA 0.698 5.040 4.340 0.002 0.000 0.278 265 L C -0.269 176.605 176.870 0.006 0.000 1.023 265 L CA -0.013 54.759 54.840 -0.113 0.000 0.811 265 L CB 1.575 43.551 42.059 -0.139 0.000 1.249 265 L HN 0.631 nan 8.230 nan 0.000 0.431 266 I N -1.663 118.956 120.570 0.081 0.000 3.042 266 I HA 0.815 4.987 4.170 0.002 0.000 0.310 266 I C -0.668 175.565 176.117 0.192 0.000 1.117 266 I CA -0.452 60.942 61.300 0.156 0.000 1.003 266 I CB 2.604 40.697 38.000 0.155 0.000 1.228 266 I HN 0.383 nan 8.210 nan 0.000 0.443 267 T N 1.028 115.716 114.554 0.223 0.000 2.879 267 T HA 0.354 4.705 4.350 0.002 0.000 0.290 267 T C -0.019 174.838 174.700 0.262 0.000 0.993 267 T CA -0.531 61.694 62.100 0.207 0.000 0.975 267 T CB 1.435 70.399 68.868 0.161 0.000 0.981 267 T HN 0.798 nan 8.240 nan 0.000 0.439 268 T N 0.074 114.768 114.554 0.234 0.000 4.309 268 T HA 0.137 4.488 4.350 0.002 0.000 0.242 268 T C 0.697 175.574 174.700 0.295 0.000 1.142 268 T CA -0.719 61.521 62.100 0.234 0.000 1.042 268 T CB -0.519 68.295 68.868 -0.090 0.000 1.366 268 T HN 0.626 nan 8.240 nan 0.000 0.942 269 D N -0.388 120.165 120.400 0.255 0.000 2.342 269 D HA 0.033 4.675 4.640 0.002 0.000 0.221 269 D C 0.513 176.881 176.300 0.114 0.000 1.101 269 D CA -0.217 53.879 54.000 0.160 0.000 0.837 269 D CB 0.229 41.080 40.800 0.086 0.000 0.938 269 D HN 0.310 nan 8.370 nan 0.000 0.508 270 Q N 0.349 120.237 119.800 0.146 0.000 2.171 270 Q HA 0.165 4.507 4.340 0.002 0.000 0.217 270 Q C 0.267 176.294 176.000 0.046 0.000 0.995 270 Q CA -0.676 55.106 55.803 -0.035 0.000 0.979 270 Q CB 0.318 28.822 28.738 -0.391 0.000 1.152 270 Q HN 0.119 nan 8.270 nan 0.000 0.525 271 N N 2.146 120.865 118.700 0.033 0.000 2.414 271 N HA -0.039 4.702 4.740 0.002 0.000 0.268 271 N C -1.934 173.552 175.510 -0.041 0.000 1.286 271 N CA -0.664 52.403 53.050 0.027 0.000 0.896 271 N CB 0.601 39.101 38.487 0.023 0.000 1.093 271 N HN 0.150 nan 8.380 nan 0.000 0.480 272 P HA 0.040 nan 4.420 nan 0.000 0.230 272 P C 0.512 177.841 177.300 0.048 0.000 1.158 272 P CA 0.664 63.840 63.100 0.126 0.000 0.769 272 P CB 0.371 32.196 31.700 0.210 0.000 0.807 273 S N -0.830 114.857 115.700 -0.021 0.000 2.593 273 S HA 0.035 4.506 4.470 0.002 0.000 0.217 273 S C 0.725 175.257 174.600 -0.114 0.000 0.966 273 S CA 0.045 58.221 58.200 -0.039 0.000 0.914 273 S CB -0.394 62.786 63.200 -0.033 0.000 0.776 273 S HN 0.402 nan 8.310 nan 0.000 0.523 274 E N 0.486 120.551 120.200 -0.225 0.000 2.378 274 E HA 0.455 4.806 4.350 0.002 0.000 0.265 274 E C -1.295 174.992 176.600 -0.521 0.000 0.932 274 E CA -1.100 55.078 56.400 -0.371 0.000 0.795 274 E CB 0.840 30.264 29.700 -0.461 0.000 1.296 274 E HN -0.118 nan 8.360 nan 0.000 0.438 275 N N -0.112 118.267 118.700 -0.536 0.000 2.477 275 N HA 0.384 5.125 4.740 0.002 0.000 0.284 275 N C -1.340 173.707 175.510 -0.772 0.000 1.182 275 N CA -0.251 52.532 53.050 -0.446 0.000 0.949 275 N CB 0.865 39.166 38.487 -0.309 0.000 1.204 275 N HN 0.401 nan 8.380 nan 0.000 0.526 276 Y N -1.058 119.113 120.300 -0.214 0.000 2.545 276 Y HA 0.363 4.915 4.550 0.002 0.000 0.348 276 Y C -0.461 175.296 175.900 -0.238 0.000 1.002 276 Y CA -0.834 57.158 58.100 -0.179 0.000 1.039 276 Y CB 1.357 39.830 38.460 0.022 0.000 1.271 276 Y HN 0.417 nan 8.280 nan 0.000 0.467 277 W N 1.592 122.929 121.300 0.062 0.000 2.315 277 W HA 0.605 5.267 4.660 0.003 0.000 0.316 277 W C -0.925 175.518 176.519 -0.125 0.000 1.211 277 W CA -0.608 56.703 57.345 -0.057 0.000 1.201 277 W CB 1.068 30.471 29.460 -0.094 0.000 1.184 277 W HN 0.063 nan 8.180 nan 0.000 0.544 278 V N 3.378 123.356 119.914 0.106 0.000 2.417 278 V HA 0.424 4.545 4.120 0.002 0.000 0.291 278 V C -0.241 175.756 176.094 -0.162 0.000 1.024 278 V CA -0.661 61.534 62.300 -0.175 0.000 0.861 278 V CB 1.446 33.069 31.823 -0.333 0.000 0.985 278 V HN 0.486 nan 8.190 nan 0.000 0.436 279 S N 3.580 119.108 115.700 -0.287 0.000 2.532 279 S HA 0.730 5.202 4.470 0.002 0.000 0.299 279 S C -0.980 173.468 174.600 -0.252 0.000 1.105 279 S CA -0.441 57.618 58.200 -0.235 0.000 1.018 279 S CB 1.658 64.722 63.200 -0.227 0.000 1.021 279 S HN 0.449 nan 8.310 nan 0.000 0.483 280 V N 4.402 124.229 119.914 -0.146 0.000 2.325 280 V HA 0.661 4.782 4.120 0.002 0.000 0.280 280 V C 0.721 176.760 176.094 -0.092 0.000 1.016 280 V CA -0.434 61.820 62.300 -0.077 0.000 0.818 280 V CB 1.026 32.857 31.823 0.013 0.000 1.019 280 V HN 0.905 nan 8.190 nan 0.000 0.434 281 G N 2.479 111.217 108.800 -0.103 0.000 2.441 281 G HA2 0.584 4.545 3.960 0.002 0.000 0.334 281 G HA3 0.584 4.545 3.960 0.002 0.000 0.334 281 G C -0.297 174.550 174.900 -0.087 0.000 1.161 281 G CA -0.476 44.564 45.100 -0.100 0.000 0.935 281 G HN 0.480 nan 8.290 nan 0.000 0.488 282 T N 1.740 116.247 114.554 -0.078 0.000 2.869 282 T HA 0.479 4.831 4.350 0.002 0.000 0.295 282 T C 0.318 175.004 174.700 -0.023 0.000 0.987 282 T CA -0.032 62.032 62.100 -0.062 0.000 1.109 282 T CB 0.776 69.602 68.868 -0.070 0.000 0.932 282 T HN 0.382 nan 8.240 nan 0.000 0.518 283 R N 0.993 121.497 120.500 0.006 0.000 2.922 283 R HA 0.697 5.038 4.340 0.002 0.000 0.256 283 R C 0.638 177.053 176.300 0.191 0.000 1.138 283 R CA -0.501 55.655 56.100 0.092 0.000 0.995 283 R CB 1.044 31.354 30.300 0.017 0.000 1.226 283 R HN 0.694 nan 8.270 nan 0.000 0.481 284 A N 0.178 123.207 122.820 0.348 0.000 3.721 284 A HA -0.264 4.057 4.320 0.002 0.000 0.270 284 A C 0.045 177.992 177.584 0.604 0.000 1.036 284 A CA 1.932 54.308 52.037 0.564 0.000 1.102 284 A CB -0.934 18.372 19.000 0.510 0.000 1.100 284 A HN 0.632 nan 8.150 nan 0.000 0.887 285 R N -1.983 118.714 120.500 0.329 0.000 2.698 285 R HA 0.484 4.825 4.340 0.002 0.000 0.275 285 R C -0.461 175.407 176.300 -0.721 0.000 1.001 285 R CA -0.704 55.352 56.100 -0.073 0.000 0.896 285 R CB 1.043 31.344 30.300 0.002 0.000 1.218 285 R HN 0.507 nan 8.270 nan 0.000 0.462 286 H N 3.066 121.229 119.070 -1.511 0.000 3.107 286 H HA 0.068 4.626 4.556 0.002 0.000 0.301 286 H C -2.045 172.886 175.328 -0.662 0.000 0.981 286 H CA -0.544 54.567 56.048 -1.563 0.000 1.443 286 H CB 0.647 29.865 29.762 -0.905 0.000 1.479 286 H HN 0.148 nan 8.280 nan 0.000 0.564 287 P HA 0.088 nan 4.420 nan 0.000 0.275 287 P C -0.274 176.990 177.300 -0.060 0.000 1.227 287 P CA -0.148 62.824 63.100 -0.212 0.000 0.781 287 P CB 0.683 32.264 31.700 -0.197 0.000 0.906 288 N N 0.221 118.890 118.700 -0.052 0.000 2.142 288 N HA 0.065 4.806 4.740 0.002 0.000 0.233 288 N C -0.977 174.495 175.510 -0.064 0.000 1.335 288 N CA 0.029 53.062 53.050 -0.030 0.000 0.837 288 N CB 0.700 39.183 38.487 -0.007 0.000 1.238 288 N HN 0.275 nan 8.380 nan 0.000 0.501 289 T N 1.869 116.371 114.554 -0.086 0.000 2.812 289 T HA 0.446 4.797 4.350 0.002 0.000 0.282 289 T C -2.627 172.016 174.700 -0.096 0.000 0.990 289 T CA -0.864 61.177 62.100 -0.099 0.000 0.960 289 T CB 2.141 70.931 68.868 -0.129 0.000 0.948 289 T HN -0.002 nan 8.240 nan 0.000 0.438 290 P HA 0.170 nan 4.420 nan 0.000 0.267 290 P C -2.301 174.941 177.300 -0.096 0.000 1.200 290 P CA -0.955 62.084 63.100 -0.102 0.000 0.772 290 P CB -0.170 31.465 31.700 -0.108 0.000 0.855 291 P HA 0.073 nan 4.420 nan 0.000 0.271 291 P C 0.007 177.249 177.300 -0.097 0.000 1.218 291 P CA -0.025 63.007 63.100 -0.113 0.000 0.780 291 P CB 0.611 32.224 31.700 -0.146 0.000 0.901 292 G N 2.551 111.305 108.800 -0.076 0.000 2.378 292 G HA2 0.465 4.427 3.960 0.002 0.000 0.255 292 G HA3 0.465 4.427 3.960 0.002 0.000 0.255 292 G C -0.565 174.293 174.900 -0.070 0.000 1.270 292 G CA -0.450 44.620 45.100 -0.049 0.000 0.876 292 G HN 0.426 nan 8.290 nan 0.000 0.521 293 L N 1.349 122.543 121.223 -0.050 0.000 2.381 293 L HA 0.751 5.093 4.340 0.002 0.000 0.268 293 L C 0.292 177.190 176.870 0.046 0.000 0.997 293 L CA -0.691 54.128 54.840 -0.035 0.000 0.818 293 L CB 2.744 44.738 42.059 -0.108 0.000 1.310 293 L HN 0.647 nan 8.230 nan 0.000 0.416 294 T N 1.448 116.040 114.554 0.063 0.000 2.671 294 T HA 0.621 4.973 4.350 0.002 0.000 0.300 294 T C -1.640 173.064 174.700 0.007 0.000 1.238 294 T CA -0.442 61.664 62.100 0.009 0.000 1.020 294 T CB 1.333 70.088 68.868 -0.189 0.000 1.503 294 T HN 0.333 nan 8.240 nan 0.000 0.497 295 L N 2.151 123.282 121.223 -0.153 0.000 2.334 295 L HA 0.624 4.965 4.340 0.002 0.000 0.276 295 L C -0.805 175.943 176.870 -0.203 0.000 1.014 295 L CA -1.077 53.630 54.840 -0.223 0.000 0.815 295 L CB 1.713 43.617 42.059 -0.258 0.000 1.268 295 L HN 0.475 nan 8.230 nan 0.000 0.428 296 L N 4.481 125.644 121.223 -0.100 0.000 2.282 296 L HA 0.255 4.596 4.340 0.002 0.000 0.287 296 L C 0.129 177.065 176.870 0.110 0.000 1.075 296 L CA 0.323 55.184 54.840 0.034 0.000 0.839 296 L CB 0.271 42.383 42.059 0.088 0.000 1.219 296 L HN 0.527 nan 8.230 nan 0.000 0.434 297 N N 4.118 122.855 118.700 0.062 0.000 2.437 297 N HA 0.053 4.794 4.740 0.002 0.000 0.243 297 N C -1.197 174.454 175.510 0.234 0.000 1.041 297 N CA -0.557 52.563 53.050 0.117 0.000 0.940 297 N CB 0.399 38.925 38.487 0.065 0.000 1.133 297 N HN 0.417 nan 8.380 nan 0.000 0.506 298 Y N 3.802 124.145 120.300 0.072 0.000 2.531 298 Y HA 0.151 4.702 4.550 0.002 0.000 0.347 298 Y C 0.545 176.489 175.900 0.075 0.000 1.024 298 Y CA -0.255 57.902 58.100 0.096 0.000 1.306 298 Y CB 0.460 39.003 38.460 0.139 0.000 1.149 298 Y HN 0.348 nan 8.280 nan 0.000 0.527 299 L N 7.305 128.625 121.223 0.162 0.000 2.453 299 L HA 0.128 4.469 4.340 0.002 0.000 0.272 299 L C -1.239 175.697 176.870 0.110 0.000 1.182 299 L CA -1.193 53.710 54.840 0.106 0.000 0.858 299 L CB 0.563 42.655 42.059 0.054 0.000 1.120 299 L HN 0.506 nan 8.230 nan 0.000 0.474 300 P HA 0.073 nan 4.420 nan 0.000 0.266 300 P C -0.470 176.856 177.300 0.043 0.000 1.381 300 P CA -0.272 62.857 63.100 0.048 0.000 0.940 300 P CB 0.242 31.962 31.700 0.033 0.000 1.435 301 N N 1.045 119.782 118.700 0.062 0.000 2.458 301 N HA -0.019 4.722 4.740 0.002 0.000 0.258 301 N C 0.465 175.988 175.510 0.021 0.000 1.219 301 N CA 0.540 53.609 53.050 0.031 0.000 0.902 301 N CB 0.488 38.989 38.487 0.022 0.000 1.076 301 N HN 0.084 nan 8.380 nan 0.000 0.455 302 S N 0.883 116.583 115.700 -0.001 0.000 2.563 302 S HA -0.019 4.452 4.470 0.002 0.000 0.284 302 S C 1.423 176.015 174.600 -0.014 0.000 1.331 302 S CA -0.565 57.632 58.200 -0.005 0.000 1.047 302 S CB 0.725 63.916 63.200 -0.016 0.000 0.859 302 S HN 0.379 nan 8.310 nan 0.000 0.514 303 V N 4.220 124.134 119.914 -0.000 0.000 2.809 303 V HA -0.041 4.081 4.120 0.002 0.000 0.256 303 V C 1.961 178.022 176.094 -0.056 0.000 1.080 303 V CA 2.189 64.479 62.300 -0.017 0.000 1.102 303 V CB -0.567 31.273 31.823 0.028 0.000 0.705 303 V HN 1.004 nan 8.190 nan 0.000 0.475 304 S N -0.852 114.823 115.700 -0.041 0.000 2.607 304 S HA 0.027 4.499 4.470 0.002 0.000 0.224 304 S C 0.979 175.538 174.600 -0.069 0.000 0.969 304 S CA 0.076 58.247 58.200 -0.048 0.000 0.927 304 S CB -0.354 62.828 63.200 -0.030 0.000 0.772 304 S HN 0.607 nan 8.310 nan 0.000 0.533 305 K N 1.801 122.150 120.400 -0.086 0.000 2.219 305 K HA 0.272 4.593 4.320 0.002 0.000 0.280 305 K C -0.844 175.657 176.600 -0.165 0.000 1.104 305 K CA -0.640 55.585 56.287 -0.104 0.000 0.925 305 K CB 0.048 32.492 32.500 -0.093 0.000 1.261 305 K HN 0.085 nan 8.250 nan 0.000 0.445 306 L N 5.744 126.879 121.223 -0.148 0.000 2.467 306 L HA 0.212 4.553 4.340 0.002 0.000 0.270 306 L C -1.962 174.790 176.870 -0.197 0.000 1.205 306 L CA -1.645 53.083 54.840 -0.187 0.000 0.828 306 L CB 0.052 42.081 42.059 -0.050 0.000 1.101 306 L HN 0.596 nan 8.230 nan 0.000 0.479 307 P HA 0.117 nan 4.420 nan 0.000 0.270 307 P C 0.508 177.814 177.300 0.010 0.000 1.223 307 P CA -0.097 62.835 63.100 -0.280 0.000 0.785 307 P CB 0.370 31.780 31.700 -0.483 0.000 0.923 308 T N -2.957 111.570 114.554 -0.046 0.000 2.942 308 T HA 0.022 4.374 4.350 0.002 0.000 0.265 308 T C 0.826 175.585 174.700 0.098 0.000 1.062 308 T CA 0.656 62.783 62.100 0.046 0.000 1.139 308 T CB -0.273 68.580 68.868 -0.024 0.000 0.883 308 T HN 0.234 nan 8.240 nan 0.000 0.468 309 S N 2.639 118.353 115.700 0.023 0.000 2.654 309 S HA 0.518 4.989 4.470 0.002 0.000 0.283 309 S C -2.522 171.891 174.600 -0.311 0.000 1.180 309 S CA -1.270 56.891 58.200 -0.065 0.000 1.021 309 S CB 1.327 64.515 63.200 -0.019 0.000 1.018 309 S HN 0.170 nan 8.310 nan 0.000 0.532 310 P HA 0.184 nan 4.420 nan 0.000 0.270 310 P C -2.538 174.456 177.300 -0.510 0.000 1.227 310 P CA -0.919 61.602 63.100 -0.965 0.000 0.788 310 P CB -0.490 30.854 31.700 -0.592 0.000 0.926 311 P HA 0.066 nan 4.420 nan 0.000 0.267 311 P C -2.157 174.979 177.300 -0.273 0.000 1.200 311 P CA -0.763 62.013 63.100 -0.541 0.000 0.772 311 P CB -1.110 30.133 31.700 -0.762 0.000 0.855 312 P HA -0.000 nan 4.420 nan 0.000 0.263 312 P C -0.350 176.857 177.300 -0.154 0.000 1.195 312 P CA 0.072 63.095 63.100 -0.128 0.000 0.762 312 P CB 0.370 32.012 31.700 -0.098 0.000 0.799 313 Q N 2.716 122.436 119.800 -0.133 0.000 2.311 313 Q HA 0.093 4.434 4.340 0.002 0.000 0.272 313 Q C -0.427 175.506 176.000 -0.111 0.000 1.012 313 Q CA 0.556 56.285 55.803 -0.123 0.000 0.891 313 Q CB -0.105 28.573 28.738 -0.100 0.000 1.201 313 Q HN 0.395 nan 8.270 nan 0.000 0.391 314 T N 7.282 121.770 114.554 -0.110 0.000 2.888 314 T HA 0.240 4.591 4.350 0.002 0.000 0.301 314 T C -2.125 172.526 174.700 -0.083 0.000 1.001 314 T CA -0.928 61.112 62.100 -0.100 0.000 1.147 314 T CB 0.292 69.104 68.868 -0.093 0.000 0.931 314 T HN 0.590 nan 8.240 nan 0.000 0.541 315 P HA 0.166 nan 4.420 nan 0.000 0.266 315 P C -0.506 176.744 177.300 -0.084 0.000 1.186 315 P CA -0.280 62.769 63.100 -0.086 0.000 0.767 315 P CB 0.249 31.894 31.700 -0.091 0.000 0.820 316 A N 4.649 127.404 122.820 -0.109 0.000 2.548 316 A HA -0.027 4.295 4.320 0.002 0.000 0.247 316 A C 1.530 179.002 177.584 -0.187 0.000 1.067 316 A CA -0.376 51.581 52.037 -0.134 0.000 0.757 316 A CB -0.540 18.338 19.000 -0.204 0.000 0.996 316 A HN 0.910 nan 8.150 nan 0.000 0.504 317 W N 3.361 124.543 121.300 -0.198 0.000 2.313 317 W HA -0.218 4.443 4.660 0.002 0.000 0.293 317 W C -0.095 176.199 176.519 -0.375 0.000 1.216 317 W CA 1.520 58.736 57.345 -0.215 0.000 1.223 317 W CB -0.498 28.867 29.460 -0.158 0.000 1.138 317 W HN 0.763 nan 8.180 nan 0.000 0.535 318 D N -0.227 119.428 120.400 -1.241 0.000 2.424 318 D HA -0.006 4.636 4.640 0.002 0.000 0.220 318 D C -0.287 175.359 176.300 -1.090 0.000 1.150 318 D CA -0.234 52.833 54.000 -1.556 0.000 0.831 318 D CB -0.830 38.881 40.800 -1.814 0.000 0.981 318 D HN -0.115 nan 8.370 nan 0.000 0.500 319 D N 0.313 120.262 120.400 -0.750 0.000 2.522 319 D HA 0.056 4.697 4.640 0.002 0.000 0.218 319 D C 0.155 176.227 176.300 -0.380 0.000 1.149 319 D CA -0.569 53.173 54.000 -0.431 0.000 0.981 319 D CB -0.374 40.258 40.800 -0.280 0.000 1.041 319 D HN -0.043 nan 8.370 nan 0.000 0.518 320 F N 0.625 120.529 119.950 -0.076 0.000 2.365 320 F HA -0.064 4.465 4.527 0.003 0.000 0.300 320 F C 2.063 177.744 175.800 -0.199 0.000 1.090 320 F CA 0.437 58.409 58.000 -0.046 0.000 1.408 320 F CB 0.049 39.067 39.000 0.030 0.000 1.060 320 F HN 0.245 nan 8.300 nan 0.000 0.534 321 D N -0.152 120.215 120.400 -0.055 0.000 2.117 321 D HA -0.143 4.498 4.640 0.002 0.000 0.198 321 D C 2.380 178.578 176.300 -0.171 0.000 0.982 321 D CA 0.797 54.705 54.000 -0.154 0.000 0.828 321 D CB -0.334 40.403 40.800 -0.106 0.000 0.967 321 D HN 0.223 nan 8.370 nan 0.000 0.464 322 R N 0.788 121.216 120.500 -0.119 0.000 2.081 322 R HA -0.093 4.249 4.340 0.002 0.000 0.235 322 R C 2.251 178.526 176.300 -0.040 0.000 1.131 322 R CA 1.298 57.349 56.100 -0.082 0.000 0.960 322 R CB 0.059 30.311 30.300 -0.080 0.000 0.856 322 R HN -0.005 nan 8.270 nan 0.000 0.436 323 S N 0.689 116.381 115.700 -0.013 0.000 2.368 323 S HA -0.118 4.354 4.470 0.002 0.000 0.225 323 S C 1.679 176.280 174.600 0.002 0.000 1.030 323 S CA 1.373 59.660 58.200 0.145 0.000 0.999 323 S CB -0.083 63.356 63.200 0.398 0.000 0.844 323 S HN 0.375 nan 8.310 nan 0.000 0.459 324 K N 1.157 121.283 120.400 -0.458 0.000 2.148 324 K HA -0.020 4.301 4.320 0.002 0.000 0.204 324 K C 2.019 178.142 176.600 -0.795 0.000 1.050 324 K CA 1.092 56.772 56.287 -1.011 0.000 0.942 324 K CB -0.209 31.478 32.500 -1.355 0.000 0.724 324 K HN 0.285 nan 8.250 nan 0.000 0.446 325 N N 0.262 118.716 118.700 -0.410 0.000 2.104 325 N HA -0.195 4.546 4.740 0.002 0.000 0.190 325 N C 1.614 177.067 175.510 -0.095 0.000 1.024 325 N CA 1.073 53.989 53.050 -0.223 0.000 0.853 325 N CB -0.077 38.343 38.487 -0.112 0.000 1.008 325 N HN 0.108 nan 8.380 nan 0.000 0.424 326 F N 0.935 120.837 119.950 -0.079 0.000 2.084 326 F HA -0.104 4.424 4.527 0.002 0.000 0.296 326 F C 2.286 178.127 175.800 0.068 0.000 1.111 326 F CA 1.491 59.509 58.000 0.029 0.000 1.224 326 F CB -0.954 38.100 39.000 0.091 0.000 0.991 326 F HN -0.040 nan 8.300 nan 0.000 0.471 327 T N -0.216 114.352 114.554 0.023 0.000 2.746 327 T HA -0.212 4.140 4.350 0.002 0.000 0.267 327 T C 1.668 176.422 174.700 0.090 0.000 1.039 327 T CA 1.638 63.783 62.100 0.076 0.000 1.142 327 T CB -0.574 68.477 68.868 0.305 0.000 0.866 327 T HN 0.264 nan 8.240 nan 0.000 0.444 328 Y N 1.114 121.287 120.300 -0.211 0.000 2.509 328 Y HA 0.158 4.709 4.550 0.002 0.000 0.293 328 Y C 2.363 178.172 175.900 -0.152 0.000 1.133 328 Y CA -0.220 57.800 58.100 -0.133 0.000 1.283 328 Y CB -0.553 37.828 38.460 -0.131 0.000 1.001 328 Y HN 0.109 nan 8.280 nan 0.000 0.555 329 R N 0.400 120.806 120.500 -0.155 0.000 2.307 329 R HA 0.063 4.404 4.340 0.002 0.000 0.199 329 R C -0.128 175.898 176.300 -0.458 0.000 1.000 329 R CA 0.124 55.985 56.100 -0.398 0.000 1.023 329 R CB -0.289 29.614 30.300 -0.662 0.000 0.908 329 R HN 0.147 nan 8.270 nan 0.000 0.473 330 I N 2.062 122.502 120.570 -0.216 0.000 2.337 330 I HA 0.078 4.250 4.170 0.002 0.000 0.291 330 I C 0.016 176.182 176.117 0.083 0.000 1.046 330 I CA -0.092 61.209 61.300 0.002 0.000 1.324 330 I CB 1.511 39.589 38.000 0.130 0.000 1.409 330 I HN 0.084 nan 8.210 nan 0.000 0.494 331 T N 2.769 117.385 114.554 0.104 0.000 2.906 331 T HA 0.771 5.122 4.350 0.002 0.000 0.295 331 T C -0.169 174.621 174.700 0.151 0.000 1.075 331 T CA -1.030 61.140 62.100 0.117 0.000 1.005 331 T CB 1.728 70.642 68.868 0.078 0.000 1.136 331 T HN 0.563 nan 8.240 nan 0.000 0.498 332 A N 1.363 124.277 122.820 0.157 0.000 2.498 332 A HA 0.624 4.946 4.320 0.002 0.000 0.239 332 A C 0.964 178.644 177.584 0.160 0.000 1.068 332 A CA -0.168 51.971 52.037 0.170 0.000 0.766 332 A CB -0.763 18.353 19.000 0.194 0.000 1.003 332 A HN 1.555 nan 8.150 nan 0.000 0.497 333 A N 2.720 125.648 122.820 0.179 0.000 2.483 333 A HA 0.416 4.737 4.320 0.002 0.000 0.238 333 A C 0.696 178.361 177.584 0.135 0.000 1.070 333 A CA -0.184 51.953 52.037 0.166 0.000 0.770 333 A CB -0.173 18.951 19.000 0.206 0.000 1.008 333 A HN 1.036 nan 8.150 nan 0.000 0.497 334 M N 2.288 121.951 119.600 0.106 0.000 2.338 334 M HA 0.269 4.750 4.480 0.002 0.000 0.360 334 M C 1.284 177.633 176.300 0.082 0.000 1.547 334 M CA 2.221 57.572 55.300 0.084 0.000 1.001 334 M CB -0.345 32.295 32.600 0.067 0.000 2.008 334 M HN 1.508 nan 8.290 nan 0.000 0.464 335 G N 2.357 111.207 108.800 0.082 0.000 2.179 335 G HA2 -0.193 3.768 3.960 0.002 0.000 0.220 335 G HA3 -0.193 3.768 3.960 0.002 0.000 0.220 335 G C 0.105 175.068 174.900 0.104 0.000 0.990 335 G CA 0.106 45.253 45.100 0.079 0.000 0.646 335 G HN 0.681 nan 8.290 nan 0.000 0.517 336 S N 1.564 117.344 115.700 0.133 0.000 2.589 336 S HA 0.488 4.959 4.470 0.002 0.000 0.265 336 S C -1.840 172.867 174.600 0.180 0.000 1.342 336 S CA -0.454 57.846 58.200 0.166 0.000 1.005 336 S CB 0.688 64.004 63.200 0.194 0.000 0.909 336 S HN 0.271 nan 8.310 nan 0.000 0.555 337 P HA 0.110 nan 4.420 nan 0.000 0.261 337 P C -0.577 176.943 177.300 0.367 0.000 1.183 337 P CA 0.281 63.559 63.100 0.297 0.000 0.761 337 P CB 0.258 32.183 31.700 0.375 0.000 0.785 338 K N 5.087 125.547 120.400 0.101 0.000 2.118 338 K HA 0.347 4.668 4.320 0.002 0.000 0.267 338 K C -2.036 174.197 176.600 -0.611 0.000 0.991 338 K CA -1.833 54.356 56.287 -0.164 0.000 0.916 338 K CB 0.360 32.788 32.500 -0.120 0.000 1.041 338 K HN 0.380 nan 8.250 nan 0.000 0.455 339 P HA 0.086 nan 4.420 nan 0.000 0.270 339 P C -2.579 174.334 177.300 -0.644 0.000 1.223 339 P CA -1.088 61.129 63.100 -1.471 0.000 0.785 339 P CB -0.533 30.478 31.700 -1.147 0.000 0.923 340 P HA -0.050 nan 4.420 nan 0.000 0.266 340 P C 1.169 178.354 177.300 -0.190 0.000 1.195 340 P CA -0.011 62.958 63.100 -0.219 0.000 0.768 340 P CB 0.185 31.805 31.700 -0.133 0.000 0.838 341 V N 0.255 120.088 119.914 -0.135 0.000 2.719 341 V HA -0.033 4.088 4.120 0.002 0.000 0.252 341 V C 0.596 176.647 176.094 -0.071 0.000 1.065 341 V CA 1.226 63.466 62.300 -0.101 0.000 1.086 341 V CB -1.334 30.437 31.823 -0.086 0.000 0.700 341 V HN 0.499 nan 8.190 nan 0.000 0.467 342 K N 1.769 122.113 120.400 -0.092 0.000 2.203 342 K HA 0.639 4.960 4.320 0.002 0.000 0.251 342 K C -0.568 175.978 176.600 -0.091 0.000 0.944 342 K CA -0.746 55.455 56.287 -0.144 0.000 0.829 342 K CB 1.417 33.799 32.500 -0.196 0.000 1.125 342 K HN 0.344 nan 8.250 nan 0.000 0.430 343 F N -0.018 119.869 119.950 -0.105 0.000 2.457 343 F HA 0.535 5.064 4.527 0.002 0.000 0.330 343 F C 0.096 175.829 175.800 -0.112 0.000 1.069 343 F CA -0.899 57.021 58.000 -0.134 0.000 1.009 343 F CB 1.186 40.094 39.000 -0.154 0.000 1.276 343 F HN 0.605 nan 8.300 nan 0.000 0.492 344 N N -0.923 117.855 118.700 0.129 0.000 2.397 344 N HA 0.167 4.908 4.740 0.002 0.000 0.190 344 N C -0.636 174.963 175.510 0.149 0.000 1.099 344 N CA -0.291 52.787 53.050 0.047 0.000 0.876 344 N CB 0.473 38.952 38.487 -0.013 0.000 1.143 344 N HN 0.544 nan 8.380 nan 0.000 0.468 345 R N 0.780 121.385 120.500 0.175 0.000 2.604 345 R HA 0.434 4.775 4.340 0.002 0.000 0.281 345 R C -1.825 174.426 176.300 -0.083 0.000 1.020 345 R CA -0.716 55.436 56.100 0.087 0.000 0.899 345 R CB 1.319 31.625 30.300 0.009 0.000 1.205 345 R HN -0.082 nan 8.270 nan 0.000 0.450 346 R N 4.823 125.235 120.500 -0.146 0.000 2.532 346 R HA 0.561 4.902 4.340 0.002 0.000 0.297 346 R C -1.206 174.941 176.300 -0.255 0.000 0.984 346 R CA -0.540 55.280 56.100 -0.467 0.000 0.884 346 R CB 1.165 31.028 30.300 -0.728 0.000 1.182 346 R HN 0.659 nan 8.270 nan 0.000 0.442 347 I N 4.204 124.550 120.570 -0.373 0.000 2.569 347 I HA 0.426 4.598 4.170 0.002 0.000 0.296 347 I C -1.074 174.829 176.117 -0.356 0.000 1.028 347 I CA -0.894 60.317 61.300 -0.147 0.000 1.082 347 I CB 1.876 39.819 38.000 -0.095 0.000 1.264 347 I HN 0.491 nan 8.210 nan 0.000 0.429 348 F N 5.855 125.799 119.950 -0.011 0.000 2.467 348 F HA 0.549 5.078 4.527 0.003 0.000 0.336 348 F C -0.411 175.491 175.800 0.169 0.000 1.123 348 F CA -0.571 57.464 58.000 0.058 0.000 0.964 348 F CB 1.363 40.397 39.000 0.056 0.000 1.136 348 F HN 0.054 nan 8.300 nan 0.000 0.447 349 L N 5.329 126.659 121.223 0.179 0.000 2.342 349 L HA 0.443 4.785 4.340 0.002 0.000 0.276 349 L C -0.911 175.914 176.870 -0.075 0.000 0.997 349 L CA -0.902 53.969 54.840 0.052 0.000 0.838 349 L CB 1.638 43.609 42.059 -0.146 0.000 1.224 349 L HN 0.438 nan 8.230 nan 0.000 0.416 350 L N 4.346 125.469 121.223 -0.165 0.000 2.305 350 L HA 0.315 4.657 4.340 0.002 0.000 0.281 350 L C -0.018 176.714 176.870 -0.231 0.000 1.085 350 L CA 0.339 54.894 54.840 -0.476 0.000 0.813 350 L CB 0.641 42.138 42.059 -0.936 0.000 1.157 350 L HN 0.492 nan 8.230 nan 0.000 0.436 351 N N 3.938 122.540 118.700 -0.164 0.000 2.462 351 N HA 0.320 5.062 4.740 0.002 0.000 0.242 351 N C -0.916 174.620 175.510 0.044 0.000 1.010 351 N CA -0.198 52.843 53.050 -0.015 0.000 0.939 351 N CB 0.816 39.292 38.487 -0.019 0.000 1.127 351 N HN 0.744 nan 8.380 nan 0.000 0.509 352 T N -0.972 113.627 114.554 0.076 0.000 2.907 352 T HA 0.272 4.624 4.350 0.002 0.000 0.292 352 T C -0.430 174.207 174.700 -0.106 0.000 1.043 352 T CA -0.909 61.203 62.100 0.021 0.000 1.003 352 T CB 2.562 71.391 68.868 -0.065 0.000 1.084 352 T HN 0.311 nan 8.240 nan 0.000 0.483 353 Q N 1.361 120.859 119.800 -0.504 0.000 2.290 353 Q HA 0.464 4.806 4.340 0.002 0.000 0.259 353 Q C -1.075 174.645 176.000 -0.465 0.000 0.941 353 Q CA -0.488 54.700 55.803 -1.026 0.000 0.912 353 Q CB 0.638 28.551 28.738 -1.375 0.000 1.244 353 Q HN 0.748 nan 8.270 nan 0.000 0.441 354 N N 1.108 119.584 118.700 -0.374 0.000 2.629 354 N HA 0.579 5.321 4.740 0.002 0.000 0.279 354 N C -1.790 173.637 175.510 -0.138 0.000 1.344 354 N CA -0.635 52.307 53.050 -0.181 0.000 0.789 354 N CB 2.205 40.634 38.487 -0.098 0.000 1.508 354 N HN 0.243 nan 8.380 nan 0.000 0.516 355 V N 1.524 121.397 119.914 -0.068 0.000 2.376 355 V HA 0.455 4.576 4.120 0.002 0.000 0.287 355 V C -0.899 175.198 176.094 0.006 0.000 1.015 355 V CA -0.446 61.834 62.300 -0.032 0.000 0.834 355 V CB 0.678 32.476 31.823 -0.041 0.000 1.001 355 V HN 0.498 nan 8.190 nan 0.000 0.428 356 I N 4.503 125.104 120.570 0.052 0.000 2.359 356 I HA 0.411 4.582 4.170 0.002 0.000 0.284 356 I C 0.560 176.757 176.117 0.134 0.000 1.018 356 I CA -0.580 60.767 61.300 0.077 0.000 1.173 356 I CB 1.067 39.115 38.000 0.079 0.000 1.326 356 I HN 0.731 nan 8.210 nan 0.000 0.462 357 N N 4.963 123.705 118.700 0.071 0.000 2.740 357 N HA -0.203 4.538 4.740 0.002 0.000 0.248 357 N C 0.834 176.284 175.510 -0.100 0.000 1.062 357 N CA 1.261 54.338 53.050 0.044 0.000 0.704 357 N CB -0.580 37.987 38.487 0.134 0.000 0.968 357 N HN 1.123 nan 8.380 nan 0.000 0.547 358 G N -2.550 106.170 108.800 -0.134 0.000 2.268 358 G HA2 -0.353 3.609 3.960 0.002 0.000 0.240 358 G HA3 -0.353 3.609 3.960 0.002 0.000 0.240 358 G C -0.120 174.598 174.900 -0.303 0.000 1.010 358 G CA 0.366 45.308 45.100 -0.264 0.000 0.618 358 G HN 0.430 nan 8.290 nan 0.000 0.516 359 Y N 0.625 120.922 120.300 -0.005 0.000 2.308 359 Y HA 0.552 5.104 4.550 0.002 0.000 0.329 359 Y C 0.853 176.740 175.900 -0.023 0.000 1.111 359 Y CA -0.825 57.274 58.100 -0.001 0.000 1.179 359 Y CB 1.720 40.185 38.460 0.010 0.000 1.201 359 Y HN 0.060 nan 8.280 nan 0.000 0.483 360 V N 5.596 125.585 119.914 0.125 0.000 2.455 360 V HA 0.206 4.327 4.120 0.002 0.000 0.273 360 V C 0.040 176.142 176.094 0.014 0.000 1.045 360 V CA -0.520 61.782 62.300 0.004 0.000 0.976 360 V CB 0.020 31.824 31.823 -0.031 0.000 0.993 360 V HN 0.660 nan 8.190 nan 0.000 0.475 361 K N 3.289 123.650 120.400 -0.065 0.000 2.400 361 K HA 0.488 4.810 4.320 0.002 0.000 0.246 361 K C -1.324 175.174 176.600 -0.170 0.000 0.995 361 K CA -0.713 55.560 56.287 -0.024 0.000 0.840 361 K CB 2.502 35.019 32.500 0.028 0.000 1.293 361 K HN 0.506 nan 8.250 nan 0.000 0.445 362 W N 0.261 121.546 121.300 -0.025 0.000 2.512 362 W HA 0.574 5.236 4.660 0.004 0.000 0.335 362 W C -0.227 176.271 176.519 -0.035 0.000 1.088 362 W CA -0.203 57.103 57.345 -0.065 0.000 1.236 362 W CB 1.883 31.270 29.460 -0.122 0.000 1.307 362 W HN 0.639 nan 8.180 nan 0.000 0.567 363 A N 3.428 126.360 122.820 0.188 0.000 2.498 363 A HA 0.814 5.135 4.320 0.002 0.000 0.298 363 A C -1.717 175.941 177.584 0.124 0.000 1.075 363 A CA -0.674 51.437 52.037 0.123 0.000 0.714 363 A CB 1.198 20.231 19.000 0.054 0.000 1.299 363 A HN 0.418 nan 8.150 nan 0.000 0.407 364 I N 2.358 123.005 120.570 0.127 0.000 2.410 364 I HA 0.295 4.466 4.170 0.002 0.000 0.286 364 I C -0.250 175.934 176.117 0.112 0.000 1.009 364 I CA -0.433 60.944 61.300 0.128 0.000 1.111 364 I CB 0.720 38.844 38.000 0.208 0.000 1.262 364 I HN 0.738 nan 8.210 nan 0.000 0.443 365 N N 4.687 123.420 118.700 0.055 0.000 2.714 365 N HA -0.236 4.505 4.740 0.002 0.000 0.252 365 N C 0.209 175.758 175.510 0.065 0.000 1.014 365 N CA 1.119 54.213 53.050 0.072 0.000 0.735 365 N CB -0.843 37.751 38.487 0.178 0.000 0.924 365 N HN 0.662 nan 8.380 nan 0.000 0.540 366 D N -2.834 117.581 120.400 0.025 0.000 3.076 366 D HA -0.164 4.477 4.640 0.002 0.000 0.218 366 D C -0.824 175.509 176.300 0.056 0.000 1.156 366 D CA 1.125 55.144 54.000 0.032 0.000 0.921 366 D CB -0.904 39.917 40.800 0.035 0.000 1.113 366 D HN 0.322 nan 8.370 nan 0.000 0.418 367 V N 0.491 120.452 119.914 0.078 0.000 2.409 367 V HA 0.485 4.606 4.120 0.002 0.000 0.291 367 V C 0.360 176.510 176.094 0.094 0.000 1.020 367 V CA -0.683 61.668 62.300 0.084 0.000 0.848 367 V CB 1.978 33.859 31.823 0.098 0.000 0.990 367 V HN 0.099 nan 8.190 nan 0.000 0.430 368 S N 4.691 120.437 115.700 0.077 0.000 2.438 368 S HA 0.542 5.013 4.470 0.002 0.000 0.293 368 S C -0.506 174.134 174.600 0.068 0.000 1.141 368 S CA -0.537 57.710 58.200 0.078 0.000 1.080 368 S CB 0.674 63.911 63.200 0.060 0.000 0.978 368 S HN 0.610 nan 8.310 nan 0.000 0.479 369 L N 5.715 126.980 121.223 0.071 0.000 2.410 369 L HA 0.564 4.906 4.340 0.002 0.000 0.273 369 L C -0.003 176.884 176.870 0.027 0.000 1.144 369 L CA 0.440 55.319 54.840 0.064 0.000 0.863 369 L CB 0.412 42.511 42.059 0.067 0.000 1.140 369 L HN 0.699 nan 8.230 nan 0.000 0.463 370 A N 6.694 129.532 122.820 0.030 0.000 2.291 370 A HA 0.585 4.906 4.320 0.002 0.000 0.311 370 A C -0.695 176.891 177.584 0.004 0.000 1.224 370 A CA -0.654 51.378 52.037 -0.009 0.000 0.821 370 A CB 0.405 19.396 19.000 -0.014 0.000 1.172 370 A HN 0.729 nan 8.150 nan 0.000 0.494 371 L N 4.561 125.767 121.223 -0.028 0.000 2.380 371 L HA 0.341 4.683 4.340 0.002 0.000 0.273 371 L C -1.454 175.348 176.870 -0.112 0.000 1.138 371 L CA -1.407 53.403 54.840 -0.050 0.000 0.832 371 L CB 0.939 42.965 42.059 -0.054 0.000 1.124 371 L HN 0.586 nan 8.230 nan 0.000 0.454 372 P HA 0.217 nan 4.420 nan 0.000 0.276 372 P C -2.331 174.872 177.300 -0.161 0.000 1.261 372 P CA -1.410 61.582 63.100 -0.180 0.000 0.800 372 P CB 0.431 31.982 31.700 -0.248 0.000 1.066 373 P HA -0.018 nan 4.420 nan 0.000 0.225 373 P C 0.219 177.467 177.300 -0.088 0.000 1.156 373 P CA 0.875 63.926 63.100 -0.081 0.000 0.787 373 P CB -0.048 31.623 31.700 -0.049 0.000 0.802 374 T N 4.110 118.603 114.554 -0.101 0.000 2.780 374 T HA 0.268 4.620 4.350 0.002 0.000 0.294 374 T C -2.406 172.196 174.700 -0.164 0.000 0.949 374 T CA -1.379 60.672 62.100 -0.082 0.000 1.074 374 T CB 0.777 69.633 68.868 -0.020 0.000 0.910 374 T HN 0.092 nan 8.240 nan 0.000 0.501 375 P HA 0.037 nan 4.420 nan 0.000 0.267 375 P C 0.117 177.352 177.300 -0.107 0.000 1.205 375 P CA -0.184 62.847 63.100 -0.116 0.000 0.765 375 P CB 0.618 32.300 31.700 -0.030 0.000 0.828 376 Y N 2.656 122.869 120.300 -0.145 0.000 2.193 376 Y HA -0.215 4.337 4.550 0.002 0.000 0.285 376 Y C 2.431 178.253 175.900 -0.129 0.000 1.166 376 Y CA 1.474 59.426 58.100 -0.246 0.000 1.181 376 Y CB -1.039 37.206 38.460 -0.359 0.000 0.976 376 Y HN 0.241 nan 8.280 nan 0.000 0.520 377 L N -0.162 121.102 121.223 0.069 0.000 2.027 377 L HA -0.045 4.297 4.340 0.002 0.000 0.206 377 L C 2.443 179.369 176.870 0.093 0.000 1.074 377 L CA 2.228 57.092 54.840 0.039 0.000 0.745 377 L CB -1.172 40.892 42.059 0.008 0.000 0.898 377 L HN 0.176 nan 8.230 nan 0.000 0.433 378 G N -1.137 107.740 108.800 0.129 0.000 2.418 378 G HA2 -0.234 3.727 3.960 0.002 0.000 0.217 378 G HA3 -0.234 3.727 3.960 0.002 0.000 0.217 378 G C 1.604 176.667 174.900 0.272 0.000 1.158 378 G CA 0.754 45.987 45.100 0.222 0.000 0.771 378 G HN 0.629 nan 8.290 nan 0.000 0.545 379 A N 0.525 123.467 122.820 0.204 0.000 1.933 379 A HA 0.033 4.354 4.320 0.002 0.000 0.218 379 A C 2.456 180.207 177.584 0.279 0.000 1.175 379 A CA 1.827 54.015 52.037 0.252 0.000 0.628 379 A CB -0.317 18.844 19.000 0.268 0.000 0.814 379 A HN 0.400 nan 8.150 nan 0.000 0.444 380 M N -1.268 118.472 119.600 0.234 0.000 2.236 380 M HA -0.052 4.430 4.480 0.002 0.000 0.266 380 M C 2.246 178.591 176.300 0.075 0.000 1.070 380 M CA 1.558 56.973 55.300 0.192 0.000 1.137 380 M CB -0.218 32.477 32.600 0.158 0.000 1.378 380 M HN 0.439 nan 8.290 nan 0.000 0.426 381 K N 0.245 120.647 120.400 0.003 0.000 2.097 381 K HA -0.174 4.147 4.320 0.002 0.000 0.206 381 K C 0.940 177.308 176.600 -0.387 0.000 1.049 381 K CA 1.542 57.704 56.287 -0.208 0.000 0.933 381 K CB 0.046 32.357 32.500 -0.315 0.000 0.717 381 K HN 0.279 nan 8.250 nan 0.000 0.442 382 Y N 0.592 120.935 120.300 0.072 0.000 2.470 382 Y HA 0.109 4.661 4.550 0.002 0.000 0.284 382 Y C 0.158 176.095 175.900 0.062 0.000 1.188 382 Y CA -0.033 58.103 58.100 0.060 0.000 1.269 382 Y CB -0.218 38.275 38.460 0.055 0.000 1.094 382 Y HN 0.218 nan 8.280 nan 0.000 0.518 383 N N 0.790 119.563 118.700 0.122 0.000 2.725 383 N HA -0.221 4.520 4.740 0.002 0.000 0.251 383 N C -1.284 174.286 175.510 0.101 0.000 1.031 383 N CA 0.243 53.350 53.050 0.095 0.000 0.720 383 N CB -1.173 37.348 38.487 0.057 0.000 0.930 383 N HN 0.361 nan 8.380 nan 0.000 0.543 384 L N 1.154 122.464 121.223 0.146 0.000 2.356 384 L HA 0.156 4.498 4.340 0.002 0.000 0.282 384 L C 1.430 178.314 176.870 0.024 0.000 1.132 384 L CA -0.399 54.521 54.840 0.133 0.000 0.923 384 L CB 0.228 42.396 42.059 0.181 0.000 1.278 384 L HN 0.317 nan 8.230 nan 0.000 0.436 385 L N 2.456 123.607 121.223 -0.120 0.000 2.610 385 L HA -0.043 4.299 4.340 0.002 0.000 0.232 385 L C 1.617 178.158 176.870 -0.549 0.000 1.149 385 L CA 0.382 54.996 54.840 -0.376 0.000 0.872 385 L CB -0.548 41.271 42.059 -0.400 0.000 0.992 385 L HN 0.704 nan 8.230 nan 0.000 0.447 386 H N -1.106 117.914 119.070 -0.083 0.000 2.827 386 H HA 0.278 4.836 4.556 0.002 0.000 0.269 386 H C 2.033 177.345 175.328 -0.028 0.000 1.031 386 H CA 0.636 56.646 56.048 -0.065 0.000 1.202 386 H CB 0.672 30.417 29.762 -0.029 0.000 1.511 386 H HN 0.276 nan 8.280 nan 0.000 0.517 387 A N 1.242 124.126 122.820 0.106 0.000 2.119 387 A HA 0.090 4.411 4.320 0.002 0.000 0.217 387 A C 0.438 178.185 177.584 0.272 0.000 1.153 387 A CA 0.752 52.901 52.037 0.186 0.000 0.692 387 A CB -0.480 18.674 19.000 0.257 0.000 0.799 387 A HN 0.342 nan 8.150 nan 0.000 0.458 388 F N -4.042 115.925 119.950 0.029 0.000 2.807 388 F HA 0.540 5.068 4.527 0.002 0.000 0.316 388 F C -1.312 174.518 175.800 0.050 0.000 1.162 388 F CA -2.198 55.831 58.000 0.050 0.000 0.910 388 F CB 0.156 39.236 39.000 0.134 0.000 1.314 388 F HN -0.169 nan 8.300 nan 0.000 0.454 389 D N 1.468 121.946 120.400 0.131 0.000 2.401 389 D HA 0.146 4.787 4.640 0.002 0.000 0.254 389 D C 0.587 176.812 176.300 -0.125 0.000 1.192 389 D CA 0.306 54.299 54.000 -0.012 0.000 0.885 389 D CB 1.166 42.018 40.800 0.087 0.000 1.147 389 D HN 0.522 nan 8.370 nan 0.000 0.478 390 Q N 2.214 121.867 119.800 -0.246 0.000 2.432 390 Q HA 0.033 4.375 4.340 0.002 0.000 0.205 390 Q C -0.155 175.784 176.000 -0.101 0.000 0.945 390 Q CA 0.338 56.002 55.803 -0.233 0.000 0.924 390 Q CB -0.050 28.531 28.738 -0.261 0.000 1.016 390 Q HN 0.483 nan 8.270 nan 0.000 0.503 391 N N 3.433 122.091 118.700 -0.069 0.000 2.475 391 N HA 0.103 4.844 4.740 0.002 0.000 0.267 391 N C -2.338 173.138 175.510 -0.058 0.000 1.169 391 N CA -0.920 52.099 53.050 -0.052 0.000 0.947 391 N CB 0.635 39.101 38.487 -0.036 0.000 1.061 391 N HN 0.057 nan 8.380 nan 0.000 0.466 392 P HA 0.059 nan 4.420 nan 0.000 0.260 392 P C -2.280 174.922 177.300 -0.163 0.000 1.185 392 P CA -0.627 62.399 63.100 -0.123 0.000 0.763 392 P CB -0.113 31.535 31.700 -0.087 0.000 0.776 393 P HA 0.231 nan 4.420 nan 0.000 0.274 393 P C -2.426 174.760 177.300 -0.189 0.000 1.246 393 P CA -1.766 61.157 63.100 -0.294 0.000 0.795 393 P CB -0.731 30.688 31.700 -0.469 0.000 1.006 394 P HA 0.178 nan 4.420 nan 0.000 0.276 394 P C -0.034 177.440 177.300 0.291 0.000 1.235 394 P CA 0.136 63.308 63.100 0.120 0.000 0.772 394 P CB 0.896 32.667 31.700 0.120 0.000 0.871 395 E N 0.922 121.285 120.200 0.273 0.000 2.463 395 E HA 0.192 4.543 4.350 0.002 0.000 0.193 395 E C -0.016 176.759 176.600 0.292 0.000 1.041 395 E CA -0.017 56.588 56.400 0.342 0.000 0.879 395 E CB 0.506 30.375 29.700 0.280 0.000 0.997 395 E HN 0.281 nan 8.360 nan 0.000 0.478 396 V N 0.464 120.511 119.914 0.222 0.000 3.178 396 V HA 0.364 4.486 4.120 0.002 0.000 0.302 396 V C -0.768 175.418 176.094 0.152 0.000 1.262 396 V CA -1.313 61.055 62.300 0.114 0.000 1.030 396 V CB 1.385 33.148 31.823 -0.100 0.000 1.074 396 V HN 0.142 nan 8.190 nan 0.000 0.438 397 F N 0.551 120.517 119.950 0.027 0.000 2.541 397 F HA 0.998 5.526 4.527 0.001 0.000 0.331 397 F C -2.715 173.084 175.800 -0.003 0.000 1.057 397 F CA -3.037 54.964 58.000 0.001 0.000 0.975 397 F CB 0.257 39.236 39.000 -0.034 0.000 1.246 397 F HN 0.262 nan 8.300 nan 0.000 0.484 398 P HA 0.140 nan 4.420 nan 0.000 0.271 398 P C -0.036 177.329 177.300 0.108 0.000 1.216 398 P CA -0.268 62.897 63.100 0.108 0.000 0.771 398 P CB 0.746 32.551 31.700 0.175 0.000 0.864 399 E N 1.649 121.837 120.200 -0.021 0.000 2.482 399 E HA -0.131 4.220 4.350 0.002 0.000 0.196 399 E C 0.229 176.873 176.600 0.072 0.000 1.047 399 E CA 0.547 56.935 56.400 -0.020 0.000 0.869 399 E CB -0.297 29.347 29.700 -0.093 0.000 0.836 399 E HN 0.501 nan 8.360 nan 0.000 0.520 400 D N 0.281 120.741 120.400 0.099 0.000 2.328 400 D HA -0.111 4.530 4.640 0.002 0.000 0.221 400 D C -0.122 176.255 176.300 0.129 0.000 1.072 400 D CA -0.478 53.576 54.000 0.090 0.000 0.850 400 D CB -0.350 40.485 40.800 0.058 0.000 0.922 400 D HN 0.197 nan 8.370 nan 0.000 0.516 401 Y N 2.213 122.594 120.300 0.135 0.000 2.377 401 Y HA 0.186 4.737 4.550 0.002 0.000 0.330 401 Y C -0.208 175.773 175.900 0.134 0.000 1.108 401 Y CA -0.505 57.682 58.100 0.146 0.000 1.308 401 Y CB 0.806 39.396 38.460 0.217 0.000 1.216 401 Y HN -0.255 nan 8.280 nan 0.000 0.518 402 D N 6.579 126.686 120.400 -0.489 0.000 2.347 402 D HA 0.067 4.709 4.640 0.002 0.000 0.235 402 D C 0.855 177.026 176.300 -0.215 0.000 1.149 402 D CA -0.295 53.564 54.000 -0.234 0.000 0.850 402 D CB 0.303 40.985 40.800 -0.198 0.000 1.061 402 D HN 0.680 nan 8.370 nan 0.000 0.487 403 I N 0.140 120.798 120.570 0.146 0.000 3.444 403 I HA 0.078 4.249 4.170 0.002 0.000 0.287 403 I C 0.481 176.756 176.117 0.264 0.000 1.302 403 I CA 0.477 61.958 61.300 0.301 0.000 1.368 403 I CB 0.223 38.429 38.000 0.344 0.000 1.048 403 I HN 0.052 nan 8.210 nan 0.000 0.487 404 D N 1.168 121.650 120.400 0.138 0.000 2.339 404 D HA 0.127 4.768 4.640 0.002 0.000 0.217 404 D C 0.340 176.701 176.300 0.101 0.000 1.050 404 D CA 0.536 54.600 54.000 0.107 0.000 0.856 404 D CB 0.601 41.395 40.800 -0.009 0.000 0.922 404 D HN 0.304 nan 8.370 nan 0.000 0.518 405 T N 0.971 115.561 114.554 0.059 0.000 2.887 405 T HA 0.387 4.739 4.350 0.002 0.000 0.288 405 T C -2.561 172.160 174.700 0.034 0.000 1.021 405 T CA -1.525 60.589 62.100 0.024 0.000 1.000 405 T CB 2.575 71.419 68.868 -0.040 0.000 1.034 405 T HN -0.254 nan 8.240 nan 0.000 0.467 406 P HA 0.145 nan 4.420 nan 0.000 0.269 406 P C -2.488 174.834 177.300 0.036 0.000 1.211 406 P CA -0.783 62.338 63.100 0.035 0.000 0.781 406 P CB -0.330 31.378 31.700 0.015 0.000 0.877 407 P HA 0.057 nan 4.420 nan 0.000 0.272 407 P C 0.775 178.106 177.300 0.052 0.000 1.230 407 P CA 0.037 63.205 63.100 0.113 0.000 0.788 407 P CB 0.195 31.962 31.700 0.112 0.000 0.949 408 T N -3.184 111.409 114.554 0.064 0.000 3.057 408 T HA 0.006 4.358 4.350 0.002 0.000 0.254 408 T C 0.645 175.366 174.700 0.035 0.000 1.094 408 T CA 0.047 62.169 62.100 0.036 0.000 1.088 408 T CB -0.762 68.127 68.868 0.035 0.000 0.934 408 T HN 0.414 nan 8.240 nan 0.000 0.497 409 N N 1.084 119.814 118.700 0.050 0.000 2.753 409 N HA -0.202 4.540 4.740 0.002 0.000 0.251 409 N C 0.691 176.224 175.510 0.037 0.000 1.097 409 N CA 1.101 54.173 53.050 0.036 0.000 0.786 409 N CB -1.332 37.163 38.487 0.012 0.000 1.137 409 N HN 0.746 nan 8.380 nan 0.000 0.566 410 E N 0.701 120.929 120.200 0.047 0.000 2.077 410 E HA -0.107 4.244 4.350 0.002 0.000 0.193 410 E C 0.910 177.535 176.600 0.042 0.000 0.989 410 E CA 1.217 57.642 56.400 0.041 0.000 0.800 410 E CB 0.100 29.828 29.700 0.046 0.000 0.746 410 E HN 0.434 nan 8.360 nan 0.000 0.452 411 K N -0.136 120.295 120.400 0.051 0.000 2.374 411 K HA 0.133 4.455 4.320 0.002 0.000 0.202 411 K C -0.356 176.271 176.600 0.045 0.000 1.040 411 K CA -0.102 56.214 56.287 0.048 0.000 1.085 411 K CB 1.218 33.752 32.500 0.056 0.000 0.873 411 K HN -0.067 nan 8.250 nan 0.000 0.539 412 T N 3.493 118.072 114.554 0.042 0.000 2.817 412 T HA 0.081 4.433 4.350 0.002 0.000 0.295 412 T C 0.148 174.872 174.700 0.039 0.000 0.958 412 T CA 0.055 62.178 62.100 0.038 0.000 1.157 412 T CB 0.244 69.129 68.868 0.028 0.000 0.898 412 T HN 0.336 nan 8.240 nan 0.000 0.536 413 R N 2.409 122.935 120.500 0.042 0.000 2.888 413 R HA 0.759 5.100 4.340 0.002 0.000 0.264 413 R C -1.102 175.225 176.300 0.046 0.000 1.045 413 R CA -1.129 54.997 56.100 0.043 0.000 0.962 413 R CB 1.433 31.758 30.300 0.042 0.000 1.210 413 R HN 0.411 nan 8.270 nan 0.000 0.479 414 I N 0.363 120.959 120.570 0.042 0.000 2.437 414 I HA 0.589 4.761 4.170 0.002 0.000 0.298 414 I C 0.101 176.247 176.117 0.048 0.000 0.984 414 I CA -0.257 61.067 61.300 0.040 0.000 1.214 414 I CB 2.053 40.067 38.000 0.023 0.000 1.365 414 I HN 0.929 nan 8.210 nan 0.000 0.469 415 G N 3.279 112.115 108.800 0.060 0.000 2.645 415 G HA2 0.337 4.298 3.960 0.002 0.000 0.292 415 G HA3 0.337 4.298 3.960 0.002 0.000 0.292 415 G C -1.019 173.943 174.900 0.102 0.000 1.415 415 G CA -0.619 44.526 45.100 0.075 0.000 0.785 415 G HN 0.760 nan 8.290 nan 0.000 0.483 416 N N -0.813 117.972 118.700 0.143 0.000 2.361 416 N HA 0.193 4.935 4.740 0.002 0.000 0.253 416 N C 0.574 176.267 175.510 0.305 0.000 1.413 416 N CA -0.452 52.734 53.050 0.226 0.000 0.821 416 N CB 1.192 39.814 38.487 0.224 0.000 1.380 416 N HN 0.770 nan 8.380 nan 0.000 0.493 417 G N 0.692 109.611 108.800 0.198 0.000 2.634 417 G HA2 0.426 4.387 3.960 0.002 0.000 0.255 417 G HA3 0.426 4.387 3.960 0.002 0.000 0.255 417 G C -0.435 174.493 174.900 0.047 0.000 1.205 417 G CA -0.120 45.091 45.100 0.184 0.000 0.884 417 G HN 0.060 nan 8.290 nan 0.000 0.549 418 V N 0.683 120.606 119.914 0.015 0.000 2.604 418 V HA 0.287 4.409 4.120 0.002 0.000 0.305 418 V C -1.016 175.012 176.094 -0.110 0.000 1.043 418 V CA -0.775 61.470 62.300 -0.092 0.000 0.888 418 V CB 1.488 33.194 31.823 -0.195 0.000 0.995 418 V HN 0.594 nan 8.190 nan 0.000 0.429 419 Y N 3.079 123.358 120.300 -0.034 0.000 2.377 419 Y HA 0.416 4.967 4.550 0.002 0.000 0.330 419 Y C 0.634 176.223 175.900 -0.520 0.000 1.108 419 Y CA 0.115 58.085 58.100 -0.217 0.000 1.308 419 Y CB 0.660 39.002 38.460 -0.197 0.000 1.216 419 Y HN 0.547 nan 8.280 nan 0.000 0.518 420 Q N 3.034 122.559 119.800 -0.458 0.000 2.333 420 Q HA 0.526 4.868 4.340 0.002 0.000 0.267 420 Q C -1.556 174.096 176.000 -0.579 0.000 1.012 420 Q CA -0.701 54.841 55.803 -0.436 0.000 0.824 420 Q CB 1.652 30.299 28.738 -0.150 0.000 1.290 420 Q HN 0.501 nan 8.270 nan 0.000 0.449 421 F N 0.507 120.495 119.950 0.063 0.000 2.556 421 F HA 0.490 5.018 4.527 0.002 0.000 0.327 421 F C 0.329 176.159 175.800 0.050 0.000 1.059 421 F CA -1.094 56.922 58.000 0.026 0.000 0.953 421 F CB 1.076 40.073 39.000 -0.006 0.000 1.227 421 F HN 0.088 nan 8.300 nan 0.000 0.478 422 K N 1.621 122.160 120.400 0.231 0.000 2.172 422 K HA 0.336 4.657 4.320 0.002 0.000 0.276 422 K C -0.580 176.108 176.600 0.147 0.000 1.013 422 K CA -0.817 55.557 56.287 0.146 0.000 0.913 422 K CB 1.940 34.497 32.500 0.096 0.000 1.055 422 K HN 0.651 nan 8.250 nan 0.000 0.461 423 I N 1.705 122.354 120.570 0.132 0.000 2.662 423 I HA 0.006 4.177 4.170 0.002 0.000 0.285 423 I C 1.013 177.181 176.117 0.085 0.000 1.161 423 I CA 1.587 62.963 61.300 0.126 0.000 1.415 423 I CB -0.112 37.959 38.000 0.118 0.000 1.385 423 I HN 0.933 nan 8.210 nan 0.000 0.552 424 G N 4.674 113.517 108.800 0.072 0.000 2.253 424 G HA2 -0.199 3.762 3.960 0.002 0.000 0.209 424 G HA3 -0.199 3.762 3.960 0.002 0.000 0.209 424 G C 0.227 175.127 174.900 -0.001 0.000 0.997 424 G CA -0.085 45.038 45.100 0.038 0.000 0.640 424 G HN 0.629 nan 8.290 nan 0.000 0.496 425 E N 0.577 120.766 120.200 -0.019 0.000 2.414 425 E HA 0.349 4.700 4.350 0.002 0.000 0.263 425 E C 0.117 176.594 176.600 -0.204 0.000 1.000 425 E CA -0.016 56.330 56.400 -0.090 0.000 0.914 425 E CB 1.603 31.247 29.700 -0.094 0.000 0.948 425 E HN 0.123 nan 8.360 nan 0.000 0.444 426 V N 4.758 124.563 119.914 -0.181 0.000 2.385 426 V HA 0.110 4.232 4.120 0.002 0.000 0.269 426 V C 0.046 175.926 176.094 -0.358 0.000 1.043 426 V CA -0.377 61.783 62.300 -0.234 0.000 0.906 426 V CB 1.136 32.898 31.823 -0.101 0.000 0.995 426 V HN 0.346 nan 8.190 nan 0.000 0.467 427 V N 4.399 123.877 119.914 -0.726 0.000 2.513 427 V HA 0.502 4.623 4.120 0.002 0.000 0.299 427 V C -0.593 175.081 176.094 -0.700 0.000 1.035 427 V CA -0.745 61.040 62.300 -0.860 0.000 0.889 427 V CB 2.072 32.967 31.823 -1.546 0.000 0.988 427 V HN 0.805 nan 8.190 nan 0.000 0.440 428 D N 2.512 122.582 120.400 -0.551 0.000 2.256 428 D HA 0.644 5.285 4.640 0.002 0.000 0.246 428 D C -0.797 175.197 176.300 -0.511 0.000 1.042 428 D CA -0.079 53.608 54.000 -0.521 0.000 0.841 428 D CB 2.198 42.574 40.800 -0.707 0.000 1.223 428 D HN 0.283 nan 8.370 nan 0.000 0.470 429 V N 3.371 123.039 119.914 -0.409 0.000 2.444 429 V HA 0.368 4.489 4.120 0.002 0.000 0.294 429 V C -0.499 175.336 176.094 -0.433 0.000 1.022 429 V CA -0.829 61.259 62.300 -0.353 0.000 0.850 429 V CB 1.651 33.412 31.823 -0.103 0.000 0.992 429 V HN 0.413 nan 8.190 nan 0.000 0.426 430 I N 6.031 126.251 120.570 -0.583 0.000 2.312 430 I HA 0.417 4.589 4.170 0.002 0.000 0.290 430 I C -0.180 175.760 176.117 -0.295 0.000 1.008 430 I CA -0.412 60.552 61.300 -0.559 0.000 1.226 430 I CB 1.333 38.730 38.000 -1.004 0.000 1.371 430 I HN 0.411 nan 8.210 nan 0.000 0.468 431 L N 6.092 127.182 121.223 -0.222 0.000 2.275 431 L HA 0.388 4.730 4.340 0.002 0.000 0.288 431 L C 0.045 176.884 176.870 -0.050 0.000 1.046 431 L CA -0.501 54.174 54.840 -0.275 0.000 0.805 431 L CB 1.092 42.855 42.059 -0.493 0.000 1.193 431 L HN 0.501 nan 8.230 nan 0.000 0.426 432 Q N 3.332 123.110 119.800 -0.038 0.000 2.341 432 Q HA 0.321 4.662 4.340 0.002 0.000 0.268 432 Q C -0.685 175.311 176.000 -0.006 0.000 1.013 432 Q CA -0.364 55.483 55.803 0.073 0.000 0.798 432 Q CB 1.240 30.026 28.738 0.079 0.000 1.253 432 Q HN 0.484 nan 8.270 nan 0.000 0.457 433 N N 2.089 120.844 118.700 0.091 0.000 2.408 433 N HA 0.802 5.544 4.740 0.002 0.000 0.260 433 N C -1.390 174.177 175.510 0.096 0.000 1.242 433 N CA 0.414 53.513 53.050 0.082 0.000 0.959 433 N CB 1.177 39.733 38.487 0.114 0.000 1.201 433 N HN 0.731 nan 8.380 nan 0.000 0.511 434 A N 0.673 123.538 122.820 0.074 0.000 2.564 434 A HA 0.356 4.677 4.320 0.002 0.000 0.291 434 A C -0.945 176.677 177.584 0.063 0.000 1.102 434 A CA -0.772 51.352 52.037 0.145 0.000 0.660 434 A CB 0.286 19.382 19.000 0.160 0.000 1.283 434 A HN 0.725 nan 8.150 nan 0.000 0.430 435 N N 0.101 118.913 118.700 0.185 0.000 2.492 435 N HA 0.442 5.184 4.740 0.002 0.000 0.260 435 N C 0.493 176.050 175.510 0.080 0.000 1.215 435 N CA 0.267 53.407 53.050 0.150 0.000 0.923 435 N CB 0.164 38.815 38.487 0.273 0.000 1.092 435 N HN 0.587 nan 8.380 nan 0.000 0.448 436 M N 1.837 121.454 119.600 0.029 0.000 1.898 436 M HA 0.151 4.633 4.480 0.002 0.000 0.191 436 M C 1.457 177.727 176.300 -0.050 0.000 1.181 436 M CA -0.481 54.794 55.300 -0.042 0.000 0.990 436 M CB 0.190 32.765 32.600 -0.041 0.000 1.143 436 M HN 0.526 nan 8.290 nan 0.000 0.540 437 M N 0.211 119.744 119.600 -0.112 0.000 2.200 437 M HA 0.010 4.491 4.480 0.002 0.000 0.265 437 M C 0.706 176.984 176.300 -0.037 0.000 1.066 437 M CA 1.253 56.506 55.300 -0.079 0.000 1.127 437 M CB -0.986 31.544 32.600 -0.116 0.000 1.379 437 M HN 0.395 nan 8.290 nan 0.000 0.420 438 K N 2.033 122.414 120.400 -0.032 0.000 2.326 438 K HA 0.055 4.377 4.320 0.002 0.000 0.275 438 K C -0.401 176.220 176.600 0.035 0.000 1.018 438 K CA 0.014 56.301 56.287 -0.000 0.000 0.962 438 K CB 0.709 33.209 32.500 -0.000 0.000 0.953 438 K HN 0.181 nan 8.250 nan 0.000 0.475 439 E N 2.551 122.777 120.200 0.044 0.000 2.360 439 E HA -0.081 4.271 4.350 0.002 0.000 0.269 439 E C -0.084 176.576 176.600 0.101 0.000 1.022 439 E CA 0.034 56.474 56.400 0.067 0.000 0.887 439 E CB 0.365 30.095 29.700 0.050 0.000 0.990 439 E HN 0.684 nan 8.360 nan 0.000 0.426 440 N N 1.565 120.354 118.700 0.148 0.000 2.758 440 N HA -0.198 4.543 4.740 0.002 0.000 0.248 440 N C -1.851 173.816 175.510 0.262 0.000 1.076 440 N CA 0.315 53.494 53.050 0.215 0.000 0.696 440 N CB -0.867 37.703 38.487 0.138 0.000 0.979 440 N HN 0.331 nan 8.380 nan 0.000 0.550 441 L N -0.004 121.359 121.223 0.232 0.000 2.410 441 L HA 0.802 5.143 4.340 0.002 0.000 0.270 441 L C -0.753 176.105 176.870 -0.019 0.000 0.983 441 L CA -0.453 54.474 54.840 0.144 0.000 0.822 441 L CB 1.970 44.090 42.059 0.102 0.000 1.285 441 L HN 0.134 nan 8.230 nan 0.000 0.409 442 S N 3.209 118.796 115.700 -0.189 0.000 2.548 442 S HA 0.705 5.177 4.470 0.002 0.000 0.276 442 S C -1.083 173.431 174.600 -0.143 0.000 1.129 442 S CA -0.567 57.434 58.200 -0.331 0.000 0.931 442 S CB 1.267 63.834 63.200 -1.055 0.000 1.068 442 S HN 0.772 nan 8.310 nan 0.000 0.480 443 E N 0.954 121.144 120.200 -0.016 0.000 2.281 443 E HA 0.512 4.864 4.350 0.002 0.000 0.257 443 E C -0.449 176.030 176.600 -0.202 0.000 0.971 443 E CA -1.012 55.353 56.400 -0.059 0.000 0.839 443 E CB 1.477 31.169 29.700 -0.013 0.000 1.238 443 E HN 0.717 nan 8.360 nan 0.000 0.412 444 T N -1.169 113.264 114.554 -0.202 0.000 2.910 444 T HA 0.290 4.641 4.350 0.002 0.000 0.293 444 T C -0.354 174.084 174.700 -0.437 0.000 1.015 444 T CA -0.568 61.389 62.100 -0.238 0.000 1.094 444 T CB 0.580 69.389 68.868 -0.097 0.000 0.968 444 T HN 0.344 nan 8.240 nan 0.000 0.521 445 H N 2.514 121.561 119.070 -0.038 0.000 2.840 445 H HA 0.360 4.917 4.556 0.002 0.000 0.340 445 H C -2.746 172.600 175.328 0.029 0.000 1.004 445 H CA -1.740 54.313 56.048 0.009 0.000 1.288 445 H CB 2.298 32.099 29.762 0.064 0.000 1.607 445 H HN 0.542 nan 8.280 nan 0.000 0.522 446 P HA 0.053 nan 4.420 nan 0.000 0.282 446 P C -0.661 176.722 177.300 0.139 0.000 1.262 446 P CA -0.292 62.883 63.100 0.125 0.000 0.773 446 P CB 0.790 32.580 31.700 0.151 0.000 0.879 447 W N 2.683 124.027 121.300 0.074 0.000 2.573 447 W HA 0.366 5.027 4.660 0.002 0.000 0.326 447 W C 0.325 176.977 176.519 0.222 0.000 1.049 447 W CA 0.256 57.601 57.345 -0.000 0.000 1.220 447 W CB 1.187 30.516 29.460 -0.218 0.000 1.373 447 W HN 0.446 nan 8.180 nan 0.000 0.507 448 H N 3.303 122.491 119.070 0.197 0.000 2.529 448 H HA 0.539 5.096 4.556 0.002 0.000 0.348 448 H C -1.571 173.964 175.328 0.345 0.000 1.079 448 H CA -0.745 55.446 56.048 0.238 0.000 1.198 448 H CB 1.234 31.059 29.762 0.106 0.000 1.521 448 H HN 0.452 nan 8.280 nan 0.000 0.514 449 L N 5.803 126.881 121.223 -0.241 0.000 2.307 449 L HA 0.352 4.694 4.340 0.002 0.000 0.284 449 L C -0.327 176.244 176.870 -0.499 0.000 1.023 449 L CA -0.694 53.991 54.840 -0.258 0.000 0.810 449 L CB 0.771 42.599 42.059 -0.385 0.000 1.231 449 L HN 0.778 nan 8.230 nan 0.000 0.423 450 H N 2.976 121.864 119.070 -0.304 0.000 2.525 450 H HA 0.141 4.699 4.556 0.003 0.000 0.339 450 H C 0.864 176.069 175.328 -0.205 0.000 1.109 450 H CA 0.586 56.566 56.048 -0.113 0.000 1.352 450 H CB 1.496 31.359 29.762 0.169 0.000 1.461 450 H HN 0.943 nan 8.280 nan 0.000 0.533 451 G N 2.399 110.967 108.800 -0.386 0.000 2.166 451 G HA2 -0.253 3.708 3.960 0.002 0.000 0.260 451 G HA3 -0.253 3.708 3.960 0.002 0.000 0.260 451 G C -0.476 173.683 174.900 -1.234 0.000 0.986 451 G CA 0.589 44.993 45.100 -1.161 0.000 0.683 451 G HN 0.836 nan 8.290 nan 0.000 0.527 452 H N -1.047 117.664 119.070 -0.598 0.000 3.064 452 H HA 0.585 5.143 4.556 0.003 0.000 0.352 452 H C -1.256 173.817 175.328 -0.424 0.000 1.260 452 H CA -0.896 54.861 56.048 -0.485 0.000 1.160 452 H CB 1.222 30.677 29.762 -0.511 0.000 1.879 452 H HN 0.089 nan 8.280 nan 0.000 0.544 453 D N 1.041 121.271 120.400 -0.283 0.000 2.228 453 D HA 0.390 5.031 4.640 0.002 0.000 0.247 453 D C -0.555 175.516 176.300 -0.380 0.000 0.995 453 D CA -0.339 53.399 54.000 -0.437 0.000 0.903 453 D CB 1.667 42.193 40.800 -0.457 0.000 1.205 453 D HN 0.301 nan 8.370 nan 0.000 0.459 454 F N -1.642 118.106 119.950 -0.337 0.000 2.603 454 F HA 0.608 5.137 4.527 0.003 0.000 0.317 454 F C -0.877 174.769 175.800 -0.257 0.000 1.066 454 F CA -1.489 56.358 58.000 -0.255 0.000 0.941 454 F CB 0.904 39.824 39.000 -0.132 0.000 1.291 454 F HN 0.161 nan 8.300 nan 0.000 0.472 455 W N 1.979 123.449 121.300 0.284 0.000 2.351 455 W HA 0.546 5.207 4.660 0.002 0.000 0.311 455 W C -1.009 175.649 176.519 0.231 0.000 1.168 455 W CA -1.008 56.445 57.345 0.180 0.000 1.200 455 W CB 1.939 31.456 29.460 0.094 0.000 1.221 455 W HN 0.245 nan 8.180 nan 0.000 0.519 456 V N 5.790 125.932 119.914 0.381 0.000 2.353 456 V HA -0.045 4.076 4.120 0.002 0.000 0.264 456 V C 0.910 177.064 176.094 0.100 0.000 1.049 456 V CA -0.246 62.178 62.300 0.206 0.000 0.896 456 V CB 0.819 32.749 31.823 0.178 0.000 1.025 456 V HN 0.418 nan 8.190 nan 0.000 0.475 457 L N 4.210 125.455 121.223 0.036 0.000 2.179 457 L HA 0.423 4.764 4.340 0.002 0.000 0.208 457 L C 1.165 178.025 176.870 -0.017 0.000 1.096 457 L CA 1.522 56.379 54.840 0.028 0.000 0.779 457 L CB -0.692 41.380 42.059 0.023 0.000 0.922 457 L HN 0.864 nan 8.230 nan 0.000 0.443 458 G N -3.345 105.358 108.800 -0.162 0.000 2.322 458 G HA2 0.361 4.322 3.960 0.002 0.000 0.295 458 G HA3 0.361 4.322 3.960 0.002 0.000 0.295 458 G C -2.048 172.464 174.900 -0.646 0.000 1.369 458 G CA -0.646 44.308 45.100 -0.243 0.000 0.821 458 G HN -0.185 nan 8.290 nan 0.000 0.536 459 Y N -1.055 118.886 120.300 -0.598 0.000 2.581 459 Y HA 0.837 5.389 4.550 0.002 0.000 0.345 459 Y C 0.673 175.808 175.900 -1.274 0.000 1.036 459 Y CA -0.042 57.541 58.100 -0.860 0.000 1.042 459 Y CB 2.647 40.821 38.460 -0.477 0.000 1.289 459 Y HN 1.218 nan 8.280 nan 0.000 0.471 460 G N 0.170 108.204 108.800 -1.277 0.000 2.576 460 G HA2 0.364 4.325 3.960 0.002 0.000 0.290 460 G HA3 0.364 4.325 3.960 0.002 0.000 0.290 460 G C -2.156 172.550 174.900 -0.322 0.000 1.442 460 G CA -0.951 43.717 45.100 -0.720 0.000 0.792 460 G HN 0.420 nan 8.290 nan 0.000 0.491 461 D N -0.174 120.282 120.400 0.093 0.000 2.294 461 D HA 0.567 5.208 4.640 0.002 0.000 0.250 461 D C 1.044 177.555 176.300 0.352 0.000 1.058 461 D CA 1.138 55.258 54.000 0.200 0.000 0.950 461 D CB 1.771 42.666 40.800 0.158 0.000 1.158 461 D HN 1.181 nan 8.370 nan 0.000 0.453 462 G N 1.313 110.316 108.800 0.338 0.000 2.645 462 G HA2 -0.283 3.679 3.960 0.002 0.000 0.246 462 G HA3 -0.283 3.679 3.960 0.002 0.000 0.246 462 G C -0.103 175.085 174.900 0.480 0.000 1.322 462 G CA -0.222 45.086 45.100 0.345 0.000 0.898 462 G HN 0.597 nan 8.290 nan 0.000 0.573 463 K N -0.411 120.214 120.400 0.375 0.000 2.276 463 K HA 0.478 4.799 4.320 0.002 0.000 0.283 463 K C 0.303 177.058 176.600 0.258 0.000 1.044 463 K CA -0.626 55.882 56.287 0.368 0.000 0.944 463 K CB 0.287 32.964 32.500 0.296 0.000 1.012 463 K HN 0.510 nan 8.250 nan 0.000 0.472 464 F N 3.559 123.470 119.950 -0.064 0.000 2.563 464 F HA 0.062 4.590 4.527 0.002 0.000 0.363 464 F C -0.030 175.634 175.800 -0.227 0.000 1.123 464 F CA 0.676 58.345 58.000 -0.552 0.000 1.307 464 F CB 0.531 39.076 39.000 -0.758 0.000 1.115 464 F HN 0.600 nan 8.300 nan 0.000 0.592 465 S N 3.781 118.941 115.700 -0.901 0.000 2.697 465 S HA 0.721 5.192 4.470 0.002 0.000 0.289 465 S C 0.366 174.438 174.600 -0.879 0.000 1.149 465 S CA -0.504 57.324 58.200 -0.619 0.000 0.850 465 S CB 1.140 64.162 63.200 -0.296 0.000 1.151 465 S HN 0.953 nan 8.310 nan 0.000 0.491 466 A N 0.314 122.865 122.820 -0.448 0.000 2.070 466 A HA -0.032 4.290 4.320 0.002 0.000 0.220 466 A C 1.705 179.136 177.584 -0.255 0.000 1.159 466 A CA 1.600 53.455 52.037 -0.303 0.000 0.656 466 A CB -1.083 17.832 19.000 -0.142 0.000 0.800 466 A HN 0.900 nan 8.150 nan 0.000 0.453 467 E N 0.087 120.142 120.200 -0.242 0.000 2.204 467 E HA -0.164 4.187 4.350 0.002 0.000 0.195 467 E C 1.411 177.926 176.600 -0.141 0.000 0.990 467 E CA 1.151 57.464 56.400 -0.145 0.000 0.821 467 E CB -0.050 29.589 29.700 -0.103 0.000 0.750 467 E HN 0.620 nan 8.360 nan 0.000 0.477 468 E N 0.635 120.660 120.200 -0.291 0.000 2.435 468 E HA -0.115 4.237 4.350 0.002 0.000 0.195 468 E C 1.563 178.128 176.600 -0.057 0.000 1.029 468 E CA 0.331 56.630 56.400 -0.167 0.000 0.865 468 E CB 0.130 29.626 29.700 -0.341 0.000 0.833 468 E HN 0.211 nan 8.360 nan 0.000 0.510 469 E N 1.697 121.839 120.200 -0.098 0.000 2.070 469 E HA -0.185 4.167 4.350 0.002 0.000 0.197 469 E C 1.923 178.577 176.600 0.089 0.000 1.004 469 E CA 1.970 58.408 56.400 0.064 0.000 0.805 469 E CB -0.147 29.584 29.700 0.053 0.000 0.744 469 E HN 0.205 nan 8.360 nan 0.000 0.451 470 S N -0.687 115.047 115.700 0.056 0.000 2.474 470 S HA -0.143 4.329 4.470 0.002 0.000 0.235 470 S C 1.977 176.626 174.600 0.081 0.000 0.997 470 S CA 0.992 59.227 58.200 0.058 0.000 0.949 470 S CB -0.451 62.771 63.200 0.037 0.000 0.766 470 S HN 0.330 nan 8.310 nan 0.000 0.517 471 S N 1.459 117.230 115.700 0.119 0.000 2.496 471 S HA 0.225 4.697 4.470 0.002 0.000 0.224 471 S C 0.682 175.371 174.600 0.148 0.000 0.996 471 S CA -0.364 57.920 58.200 0.140 0.000 0.927 471 S CB -0.802 62.517 63.200 0.197 0.000 0.774 471 S HN 0.497 nan 8.310 nan 0.000 0.524 472 L N 3.201 124.526 121.223 0.170 0.000 2.513 472 L HA 0.169 4.510 4.340 0.002 0.000 0.272 472 L C 0.473 177.390 176.870 0.080 0.000 1.187 472 L CA -0.251 54.676 54.840 0.145 0.000 0.895 472 L CB -0.178 41.969 42.059 0.145 0.000 1.147 472 L HN 0.228 nan 8.230 nan 0.000 0.483 473 N N 4.449 123.186 118.700 0.061 0.000 2.401 473 N HA 0.157 4.899 4.740 0.002 0.000 0.255 473 N C 0.117 175.635 175.510 0.015 0.000 1.110 473 N CA 0.076 53.149 53.050 0.039 0.000 0.949 473 N CB 0.797 39.310 38.487 0.045 0.000 1.110 473 N HN 0.566 nan 8.380 nan 0.000 0.490 474 L N 2.835 124.054 121.223 -0.008 0.000 2.808 474 L HA 0.200 4.541 4.340 0.002 0.000 0.246 474 L C 1.896 178.725 176.870 -0.068 0.000 1.153 474 L CA -0.055 54.749 54.840 -0.060 0.000 0.956 474 L CB 0.200 42.226 42.059 -0.055 0.000 1.270 474 L HN 0.522 nan 8.230 nan 0.000 0.528 475 K N 0.642 121.027 120.400 -0.025 0.000 2.108 475 K HA 0.023 4.344 4.320 0.002 0.000 0.204 475 K C 1.016 177.618 176.600 0.004 0.000 1.036 475 K CA 0.855 57.134 56.287 -0.014 0.000 0.965 475 K CB 0.372 32.876 32.500 0.006 0.000 0.804 475 K HN 0.090 nan 8.250 nan 0.000 0.454 476 N N 0.966 119.685 118.700 0.033 0.000 2.204 476 N HA 0.175 4.916 4.740 0.002 0.000 0.219 476 N C -2.676 172.904 175.510 0.118 0.000 1.151 476 N CA -1.385 51.708 53.050 0.073 0.000 0.867 476 N CB 0.643 39.169 38.487 0.065 0.000 1.043 476 N HN 0.202 nan 8.380 nan 0.000 0.516 477 P HA 0.136 nan 4.420 nan 0.000 0.268 477 P C -2.814 174.669 177.300 0.304 0.000 1.204 477 P CA -0.837 62.387 63.100 0.206 0.000 0.768 477 P CB 0.651 32.471 31.700 0.199 0.000 0.842 478 P HA 0.181 nan 4.420 nan 0.000 0.275 478 P C -0.347 177.025 177.300 0.119 0.000 1.228 478 P CA -0.055 63.155 63.100 0.183 0.000 0.786 478 P CB 0.767 32.563 31.700 0.160 0.000 0.927 479 L N 4.236 125.439 121.223 -0.032 0.000 2.265 479 L HA 0.365 4.706 4.340 0.002 0.000 0.288 479 L C 1.095 177.781 176.870 -0.306 0.000 1.058 479 L CA -0.117 54.542 54.840 -0.301 0.000 0.809 479 L CB 0.371 42.200 42.059 -0.382 0.000 1.179 479 L HN 0.297 nan 8.230 nan 0.000 0.429 480 R N 1.738 121.915 120.500 -0.539 0.000 2.855 480 R HA 0.339 4.680 4.340 0.002 0.000 0.266 480 R C -0.026 175.659 176.300 -1.025 0.000 1.034 480 R CA -0.785 54.967 56.100 -0.579 0.000 0.944 480 R CB 1.337 31.427 30.300 -0.351 0.000 1.219 480 R HN 0.648 nan 8.270 nan 0.000 0.474 481 N N -1.987 116.368 118.700 -0.575 0.000 2.227 481 N HA 0.057 4.798 4.740 0.002 0.000 0.196 481 N C -0.663 174.901 175.510 0.090 0.000 1.142 481 N CA 0.024 52.830 53.050 -0.407 0.000 0.887 481 N CB 0.926 39.367 38.487 -0.077 0.000 1.022 481 N HN 0.295 nan 8.380 nan 0.000 0.500 482 T N 0.189 114.860 114.554 0.196 0.000 2.876 482 T HA 0.623 4.974 4.350 0.002 0.000 0.289 482 T C -1.563 173.412 174.700 0.458 0.000 1.014 482 T CA -0.653 61.700 62.100 0.423 0.000 0.986 482 T CB 2.452 71.504 68.868 0.307 0.000 1.021 482 T HN -0.061 nan 8.240 nan 0.000 0.458 483 V N 2.980 123.195 119.914 0.501 0.000 3.012 483 V HA 0.675 4.797 4.120 0.002 0.000 0.307 483 V C -1.140 175.106 176.094 0.253 0.000 1.166 483 V CA -0.572 61.970 62.300 0.404 0.000 0.974 483 V CB 2.327 34.414 31.823 0.440 0.000 1.040 483 V HN 0.746 nan 8.190 nan 0.000 0.428 484 V N 6.177 126.164 119.914 0.121 0.000 2.617 484 V HA 0.566 4.687 4.120 0.002 0.000 0.298 484 V C -0.016 176.036 176.094 -0.069 0.000 1.048 484 V CA -0.523 61.677 62.300 -0.166 0.000 0.964 484 V CB 1.638 33.016 31.823 -0.742 0.000 1.004 484 V HN 0.752 nan 8.190 nan 0.000 0.466 485 I N 0.369 120.881 120.570 -0.096 0.000 2.441 485 I HA 0.598 4.769 4.170 0.002 0.000 0.295 485 I C -0.752 175.240 176.117 -0.209 0.000 0.994 485 I CA -0.421 60.867 61.300 -0.021 0.000 1.144 485 I CB 1.196 39.242 38.000 0.077 0.000 1.314 485 I HN 0.288 nan 8.210 nan 0.000 0.445 486 F N 4.279 124.266 119.950 0.062 0.000 2.370 486 F HA 0.470 4.998 4.527 0.002 0.000 0.319 486 F C -1.921 173.828 175.800 -0.085 0.000 1.129 486 F CA -2.175 55.804 58.000 -0.035 0.000 1.109 486 F CB 0.220 39.212 39.000 -0.014 0.000 1.262 486 F HN 0.249 nan 8.300 nan 0.000 0.534 487 P HA -0.128 nan 4.420 nan 0.000 0.259 487 P C -0.877 176.453 177.300 0.050 0.000 1.163 487 P CA 0.965 63.957 63.100 -0.180 0.000 0.760 487 P CB -0.248 31.239 31.700 -0.354 0.000 0.762 488 Y N -0.320 120.042 120.300 0.103 0.000 4.538 488 Y HA -0.256 4.295 4.550 0.002 0.000 0.225 488 Y C 1.366 177.373 175.900 0.179 0.000 1.074 488 Y CA 1.280 59.462 58.100 0.136 0.000 1.942 488 Y CB -2.179 36.349 38.460 0.113 0.000 1.618 488 Y HN 0.498 nan 8.280 nan 0.000 0.642 489 G N -1.000 107.966 108.800 0.276 0.000 2.820 489 G HA2 0.626 4.587 3.960 0.002 0.000 0.291 489 G HA3 0.626 4.587 3.960 0.002 0.000 0.291 489 G C -0.524 174.560 174.900 0.307 0.000 1.323 489 G CA -0.421 44.842 45.100 0.271 0.000 1.055 489 G HN 0.400 nan 8.290 nan 0.000 0.520 490 W N -1.106 120.340 121.300 0.244 0.000 2.820 490 W HA 0.770 5.431 4.660 0.002 0.000 0.350 490 W C -1.512 175.085 176.519 0.130 0.000 1.116 490 W CA -1.137 56.305 57.345 0.161 0.000 1.146 490 W CB 0.891 30.471 29.460 0.199 0.000 1.433 490 W HN 0.511 nan 8.180 nan 0.000 0.561 491 T N 1.518 116.214 114.554 0.237 0.000 2.952 491 T HA 0.590 4.941 4.350 0.002 0.000 0.305 491 T C -0.917 173.791 174.700 0.013 0.000 1.064 491 T CA -0.354 61.721 62.100 -0.043 0.000 1.008 491 T CB 1.692 70.490 68.868 -0.116 0.000 1.078 491 T HN 0.640 nan 8.240 nan 0.000 0.459 492 A N 3.405 126.208 122.820 -0.029 0.000 2.318 492 A HA 0.931 5.252 4.320 0.002 0.000 0.324 492 A C -0.322 177.153 177.584 -0.182 0.000 1.170 492 A CA -0.828 51.133 52.037 -0.127 0.000 0.810 492 A CB 0.284 19.251 19.000 -0.055 0.000 1.198 492 A HN 0.938 nan 8.150 nan 0.000 0.484 493 I N -0.776 119.655 120.570 -0.231 0.000 2.934 493 I HA 0.881 5.053 4.170 0.002 0.000 0.306 493 I C -0.525 175.528 176.117 -0.106 0.000 1.110 493 I CA -1.148 60.050 61.300 -0.170 0.000 1.019 493 I CB 2.198 39.897 38.000 -0.501 0.000 1.227 493 I HN 0.707 nan 8.210 nan 0.000 0.434 494 R N 3.107 123.662 120.500 0.092 0.000 2.686 494 R HA 0.763 5.105 4.340 0.002 0.000 0.283 494 R C -1.943 174.558 176.300 0.335 0.000 0.978 494 R CA -0.459 55.694 56.100 0.089 0.000 0.897 494 R CB 2.038 32.395 30.300 0.094 0.000 1.192 494 R HN 0.789 nan 8.270 nan 0.000 0.457 495 F N 0.151 120.122 119.950 0.034 0.000 2.711 495 F HA 0.619 5.147 4.527 0.002 0.000 0.313 495 F C -1.861 173.940 175.800 0.003 0.000 1.141 495 F CA -1.198 56.841 58.000 0.065 0.000 0.941 495 F CB 0.999 39.933 39.000 -0.110 0.000 1.349 495 F HN 0.079 nan 8.300 nan 0.000 0.464 496 V N 1.970 121.964 119.914 0.134 0.000 2.398 496 V HA 0.661 4.782 4.120 0.002 0.000 0.286 496 V C 0.315 176.480 176.094 0.119 0.000 1.026 496 V CA -0.591 61.709 62.300 -0.001 0.000 0.868 496 V CB 1.164 33.057 31.823 0.117 0.000 0.982 496 V HN 1.093 nan 8.190 nan 0.000 0.443 497 A N 3.602 126.390 122.820 -0.053 0.000 2.981 497 A HA 0.349 4.670 4.320 0.002 0.000 0.280 497 A C 0.611 178.319 177.584 0.206 0.000 1.743 497 A CA -0.094 52.031 52.037 0.147 0.000 1.430 497 A CB -0.618 18.378 19.000 -0.007 0.000 1.085 497 A HN 0.934 nan 8.150 nan 0.000 0.597 498 D N -0.214 120.329 120.400 0.238 0.000 2.513 498 D HA 0.046 4.687 4.640 0.002 0.000 0.222 498 D C -0.235 176.143 176.300 0.129 0.000 1.210 498 D CA -0.240 53.851 54.000 0.152 0.000 0.825 498 D CB -0.082 40.778 40.800 0.100 0.000 1.037 498 D HN 0.224 nan 8.370 nan 0.000 0.506 499 N N 1.603 120.405 118.700 0.170 0.000 2.706 499 N HA 0.307 5.049 4.740 0.002 0.000 0.240 499 N C -2.850 172.897 175.510 0.396 0.000 1.039 499 N CA -2.005 51.114 53.050 0.115 0.000 0.888 499 N CB 1.358 39.655 38.487 -0.316 0.000 1.128 499 N HN -0.169 nan 8.380 nan 0.000 0.512 500 P HA 0.181 nan 4.420 nan 0.000 0.260 500 P C 0.213 177.701 177.300 0.314 0.000 1.172 500 P CA 0.629 63.904 63.100 0.291 0.000 0.760 500 P CB 0.393 32.200 31.700 0.178 0.000 0.773 501 G N 0.921 109.815 108.800 0.157 0.000 2.369 501 G HA2 0.211 4.172 3.960 0.002 0.000 0.295 501 G HA3 0.211 4.172 3.960 0.002 0.000 0.295 501 G C -1.869 172.709 174.900 -0.535 0.000 1.298 501 G CA -0.752 44.181 45.100 -0.277 0.000 0.940 501 G HN 0.359 nan 8.290 nan 0.000 0.536 502 V N 0.032 119.408 119.914 -0.897 0.000 2.444 502 V HA 0.761 4.882 4.120 0.002 0.000 0.294 502 V C -1.047 174.648 176.094 -0.665 0.000 1.022 502 V CA -0.288 61.684 62.300 -0.547 0.000 0.850 502 V CB 1.242 32.889 31.823 -0.292 0.000 0.992 502 V HN 0.698 nan 8.190 nan 0.000 0.426 503 W N 2.858 124.210 121.300 0.085 0.000 2.781 503 W HA 0.798 5.459 4.660 0.002 0.000 0.333 503 W C 0.046 176.541 176.519 -0.039 0.000 1.047 503 W CA -0.588 56.797 57.345 0.067 0.000 1.236 503 W CB 1.941 31.528 29.460 0.212 0.000 1.394 503 W HN 0.668 nan 8.180 nan 0.000 0.466 504 A N 3.063 125.901 122.820 0.029 0.000 2.286 504 A HA 0.773 5.094 4.320 0.002 0.000 0.286 504 A C -1.703 175.904 177.584 0.038 0.000 1.097 504 A CA -0.313 51.697 52.037 -0.045 0.000 0.821 504 A CB 0.717 19.664 19.000 -0.089 0.000 1.076 504 A HN 0.561 nan 8.150 nan 0.000 0.490 505 F N 2.240 122.033 119.950 -0.262 0.000 2.499 505 F HA 0.619 5.148 4.527 0.003 0.000 0.333 505 F C -0.463 175.331 175.800 -0.010 0.000 1.138 505 F CA -1.016 56.841 58.000 -0.239 0.000 0.945 505 F CB 1.202 39.837 39.000 -0.609 0.000 1.181 505 F HN 0.877 nan 8.300 nan 0.000 0.435 506 H N 2.048 121.007 119.070 -0.185 0.000 3.017 506 H HA 0.428 4.986 4.556 0.002 0.000 0.346 506 H C -1.237 173.462 175.328 -1.049 0.000 1.286 506 H CA -1.356 54.275 56.048 -0.696 0.000 1.120 506 H CB 0.795 30.365 29.762 -0.319 0.000 1.860 506 H HN 0.689 nan 8.280 nan 0.000 0.542 507 C N 2.176 120.684 119.300 -1.319 0.000 2.648 507 C HA 0.050 4.512 4.460 0.002 0.000 0.419 507 C C 1.359 176.234 174.990 -0.192 0.000 1.352 507 C CA 0.035 58.502 59.018 -0.919 0.000 1.816 507 C CB -1.032 26.277 27.740 -0.719 0.000 2.598 507 C HN 1.017 nan 8.230 nan 0.000 0.598 508 H N 4.562 123.552 119.070 -0.133 0.000 2.524 508 H HA 0.290 4.848 4.556 0.002 0.000 0.280 508 H C 0.345 175.654 175.328 -0.031 0.000 1.018 508 H CA 0.269 56.339 56.048 0.037 0.000 1.165 508 H CB 0.017 29.841 29.762 0.103 0.000 1.411 508 H HN 0.642 nan 8.280 nan 0.000 0.569 509 I N 1.777 122.312 120.570 -0.059 0.000 2.337 509 I HA -0.057 4.115 4.170 0.002 0.000 0.291 509 I C 1.544 177.537 176.117 -0.207 0.000 1.046 509 I CA -0.109 61.086 61.300 -0.176 0.000 1.324 509 I CB 1.602 39.348 38.000 -0.424 0.000 1.409 509 I HN 0.100 nan 8.210 nan 0.000 0.494 510 E N 8.823 128.906 120.200 -0.195 0.000 2.058 510 E HA -0.158 4.194 4.350 0.002 0.000 0.194 510 E C -0.817 175.702 176.600 -0.136 0.000 0.997 510 E CA 1.953 58.234 56.400 -0.198 0.000 0.801 510 E CB -0.773 28.794 29.700 -0.221 0.000 0.746 510 E HN 0.473 nan 8.360 nan 0.000 0.450 511 P HA -0.174 nan 4.420 nan 0.000 0.218 511 P C 0.813 178.275 177.300 0.270 0.000 1.148 511 P CA 1.626 64.737 63.100 0.018 0.000 0.822 511 P CB -0.203 31.494 31.700 -0.005 0.000 0.784 512 H N -0.899 118.184 119.070 0.022 0.000 2.326 512 H HA -0.064 4.494 4.556 0.003 0.000 0.301 512 H C 2.151 177.416 175.328 -0.105 0.000 1.081 512 H CA 0.467 56.431 56.048 -0.140 0.000 1.334 512 H CB -0.344 29.158 29.762 -0.434 0.000 1.385 512 H HN 0.004 nan 8.280 nan 0.000 0.504 513 L N 0.641 121.857 121.223 -0.012 0.000 2.046 513 L HA -0.194 4.147 4.340 0.002 0.000 0.208 513 L C 2.311 179.168 176.870 -0.021 0.000 1.077 513 L CA 1.845 56.626 54.840 -0.097 0.000 0.747 513 L CB -0.693 41.224 42.059 -0.236 0.000 0.896 513 L HN 0.259 nan 8.230 nan 0.000 0.432 514 H N -0.954 118.076 119.070 -0.067 0.000 2.387 514 H HA -0.129 4.428 4.556 0.002 0.000 0.299 514 H C 1.774 177.115 175.328 0.020 0.000 1.099 514 H CA 2.047 58.068 56.048 -0.045 0.000 1.315 514 H CB -0.035 29.695 29.762 -0.055 0.000 1.380 514 H HN 0.371 nan 8.280 nan 0.000 0.513 515 M N -0.671 119.069 119.600 0.233 0.000 2.568 515 M HA 0.156 4.637 4.480 0.002 0.000 0.226 515 M C 1.109 177.514 176.300 0.174 0.000 1.148 515 M CA 0.741 56.184 55.300 0.240 0.000 1.007 515 M CB 1.038 33.908 32.600 0.451 0.000 1.651 515 M HN 0.573 nan 8.290 nan 0.000 0.488 516 G N 0.872 109.725 108.800 0.088 0.000 2.159 516 G HA2 -0.250 3.711 3.960 0.002 0.000 0.227 516 G HA3 -0.250 3.711 3.960 0.002 0.000 0.227 516 G C 0.216 175.157 174.900 0.069 0.000 0.986 516 G CA -0.364 44.773 45.100 0.061 0.000 0.651 516 G HN 0.469 nan 8.290 nan 0.000 0.523 517 M N 1.539 121.159 119.600 0.034 0.000 3.254 517 M HA 0.484 4.966 4.480 0.002 0.000 0.257 517 M C 0.695 176.862 176.300 -0.222 0.000 1.490 517 M CA 1.190 56.444 55.300 -0.076 0.000 1.620 517 M CB -0.680 31.762 32.600 -0.262 0.000 1.157 517 M HN 0.632 nan 8.290 nan 0.000 0.541 518 G N 1.355 110.114 108.800 -0.069 0.000 2.523 518 G HA2 0.572 4.533 3.960 0.002 0.000 0.291 518 G HA3 0.572 4.533 3.960 0.002 0.000 0.291 518 G C -1.718 173.246 174.900 0.108 0.000 1.450 518 G CA -0.533 44.536 45.100 -0.052 0.000 0.790 518 G HN 0.533 nan 8.290 nan 0.000 0.496 519 V N -2.883 117.106 119.914 0.125 0.000 3.141 519 V HA 0.934 5.055 4.120 0.002 0.000 0.312 519 V C -0.744 175.386 176.094 0.059 0.000 1.157 519 V CA -1.177 61.233 62.300 0.182 0.000 1.041 519 V CB 1.609 33.609 31.823 0.295 0.000 1.071 519 V HN 0.905 nan 8.190 nan 0.000 0.441 520 V N 1.965 121.956 119.914 0.128 0.000 2.531 520 V HA 0.611 4.732 4.120 0.002 0.000 0.301 520 V C -1.107 175.164 176.094 0.295 0.000 1.034 520 V CA -0.199 62.099 62.300 -0.002 0.000 0.865 520 V CB 1.491 33.121 31.823 -0.321 0.000 0.995 520 V HN 0.718 nan 8.190 nan 0.000 0.424 521 F N 2.749 122.787 119.950 0.148 0.000 2.450 521 F HA 0.877 5.405 4.527 0.002 0.000 0.332 521 F C 0.443 176.335 175.800 0.153 0.000 1.093 521 F CA -1.532 56.605 58.000 0.228 0.000 1.003 521 F CB 1.886 41.172 39.000 0.475 0.000 1.151 521 F HN 0.570 nan 8.300 nan 0.000 0.474 522 A N 3.134 126.099 122.820 0.242 0.000 2.449 522 A HA 0.772 5.093 4.320 0.002 0.000 0.302 522 A C -1.075 176.653 177.584 0.241 0.000 1.048 522 A CA -0.615 51.522 52.037 0.166 0.000 0.708 522 A CB 1.811 20.818 19.000 0.012 0.000 1.274 522 A HN 0.779 nan 8.150 nan 0.000 0.410 523 E N 0.797 121.185 120.200 0.313 0.000 2.321 523 E HA 0.508 4.859 4.350 0.002 0.000 0.278 523 E C 0.311 177.058 176.600 0.245 0.000 0.902 523 E CA -0.639 55.956 56.400 0.325 0.000 0.758 523 E CB 1.273 31.263 29.700 0.483 0.000 1.213 523 E HN 2.072 nan 8.360 nan 0.000 0.426 524 G N 2.043 110.952 108.800 0.181 0.000 2.379 524 G HA2 -0.297 3.664 3.960 0.002 0.000 0.297 524 G HA3 -0.297 3.664 3.960 0.002 0.000 0.297 524 G C 0.686 175.652 174.900 0.110 0.000 1.004 524 G CA 0.554 45.737 45.100 0.137 0.000 0.921 524 G HN 0.422 nan 8.290 nan 0.000 0.511 525 V N -0.368 119.598 119.914 0.088 0.000 2.913 525 V HA -0.142 3.980 4.120 0.002 0.000 0.260 525 V C 2.523 178.637 176.094 0.033 0.000 1.098 525 V CA 2.511 64.844 62.300 0.056 0.000 1.121 525 V CB -0.221 31.626 31.823 0.040 0.000 0.714 525 V HN 0.653 nan 8.190 nan 0.000 0.487 526 E N 0.523 120.745 120.200 0.036 0.000 2.265 526 E HA -0.187 4.165 4.350 0.002 0.000 0.196 526 E C 1.855 178.470 176.600 0.024 0.000 0.996 526 E CA 0.910 57.321 56.400 0.019 0.000 0.832 526 E CB -0.286 29.429 29.700 0.025 0.000 0.756 526 E HN 0.546 nan 8.360 nan 0.000 0.491 527 K N 0.359 120.787 120.400 0.047 0.000 2.374 527 K HA 0.167 4.489 4.320 0.002 0.000 0.196 527 K C -0.226 176.412 176.600 0.063 0.000 1.023 527 K CA -0.106 56.214 56.287 0.054 0.000 1.103 527 K CB 0.809 33.350 32.500 0.069 0.000 0.848 527 K HN -0.043 nan 8.250 nan 0.000 0.528 528 V N 1.676 121.625 119.914 0.059 0.000 2.637 528 V HA 0.088 4.209 4.120 0.002 0.000 0.296 528 V C 1.186 177.322 176.094 0.070 0.000 1.046 528 V CA -0.214 62.134 62.300 0.080 0.000 1.066 528 V CB 1.057 32.922 31.823 0.069 0.000 0.968 528 V HN 0.332 nan 8.190 nan 0.000 0.483 529 G N 4.068 112.933 108.800 0.109 0.000 2.546 529 G HA2 0.250 4.212 3.960 0.002 0.000 0.239 529 G HA3 0.250 4.212 3.960 0.002 0.000 0.239 529 G C 0.097 175.048 174.900 0.086 0.000 1.476 529 G CA -0.666 44.489 45.100 0.091 0.000 1.064 529 G HN 0.677 nan 8.290 nan 0.000 0.561 530 R N -0.503 120.033 120.500 0.059 0.000 2.442 530 R HA 0.235 4.577 4.340 0.002 0.000 0.291 530 R C -0.444 175.825 176.300 -0.050 0.000 1.069 530 R CA -0.100 56.009 56.100 0.015 0.000 1.022 530 R CB -0.001 30.287 30.300 -0.020 0.000 0.976 530 R HN 0.288 nan 8.270 nan 0.000 0.443 531 I N 7.308 127.854 120.570 -0.039 0.000 2.353 531 I HA 0.267 4.438 4.170 0.002 0.000 0.293 531 I C -1.840 174.149 176.117 -0.214 0.000 0.992 531 I CA -2.612 58.613 61.300 -0.125 0.000 1.268 531 I CB 1.738 39.795 38.000 0.095 0.000 1.387 531 I HN 0.496 nan 8.210 nan 0.000 0.478 532 P HA -0.017 nan 4.420 nan 0.000 0.263 532 P C 0.692 177.948 177.300 -0.074 0.000 1.175 532 P CA 0.241 63.160 63.100 -0.303 0.000 0.761 532 P CB 0.436 31.860 31.700 -0.460 0.000 0.794 533 T N 2.105 116.626 114.554 -0.055 0.000 2.737 533 T HA -0.193 4.158 4.350 0.002 0.000 0.269 533 T C 1.503 176.230 174.700 0.044 0.000 1.040 533 T CA 1.423 63.518 62.100 -0.008 0.000 1.142 533 T CB -0.278 68.576 68.868 -0.023 0.000 0.861 533 T HN 0.466 nan 8.240 nan 0.000 0.456 534 K N 0.834 121.300 120.400 0.110 0.000 2.147 534 K HA 0.061 4.382 4.320 0.002 0.000 0.205 534 K C 2.476 179.159 176.600 0.139 0.000 1.049 534 K CA 1.040 57.428 56.287 0.169 0.000 0.936 534 K CB -0.189 32.519 32.500 0.348 0.000 0.722 534 K HN 0.302 nan 8.250 nan 0.000 0.446 535 A N 0.253 123.203 122.820 0.216 0.000 2.119 535 A HA -0.065 4.256 4.320 0.002 0.000 0.217 535 A C 1.644 179.273 177.584 0.075 0.000 1.153 535 A CA 1.019 53.134 52.037 0.129 0.000 0.692 535 A CB -0.021 19.133 19.000 0.257 0.000 0.799 535 A HN 0.086 nan 8.150 nan 0.000 0.458 536 L N -1.459 119.801 121.223 0.062 0.000 2.463 536 L HA 0.288 4.630 4.340 0.002 0.000 0.219 536 L C 1.800 178.670 176.870 0.001 0.000 1.088 536 L CA 0.764 55.624 54.840 0.034 0.000 0.849 536 L CB -0.875 41.195 42.059 0.018 0.000 1.012 536 L HN 0.310 nan 8.230 nan 0.000 0.468 537 A N 0.213 123.035 122.820 0.004 0.000 3.051 537 A HA 0.397 4.719 4.320 0.002 0.000 0.257 537 A C 0.389 177.967 177.584 -0.011 0.000 1.785 537 A CA 0.132 52.164 52.037 -0.007 0.000 1.420 537 A CB -1.481 17.521 19.000 0.003 0.000 1.063 537 A HN 0.513 nan 8.150 nan 0.000 0.630 538 c N -3.282 115.309 118.600 -0.015 0.000 3.259 538 c HA 0.867 5.438 4.570 0.002 0.000 0.344 538 c C 0.998 175.076 174.090 -0.019 0.000 1.401 538 c CA -0.128 56.190 56.329 -0.018 0.000 1.219 538 c CB 0.741 43.238 42.510 -0.022 0.000 1.521 538 c HN 2.391 nan 8.230 nan 0.000 0.455 539 G N 1.012 109.801 108.800 -0.019 0.000 2.582 539 G HA2 0.185 4.146 3.960 0.002 0.000 0.288 539 G HA3 0.185 4.146 3.960 0.002 0.000 0.288 539 G C 1.000 175.895 174.900 -0.009 0.000 1.247 539 G CA 1.165 46.255 45.100 -0.016 0.000 0.972 539 G HN 2.509 nan 8.290 nan 0.000 0.557 540 G N -1.073 107.730 108.800 0.006 0.000 2.422 540 G HA2 0.120 4.081 3.960 0.002 0.000 0.218 540 G HA3 0.120 4.081 3.960 0.002 0.000 0.218 540 G C 1.999 176.904 174.900 0.007 0.000 1.140 540 G CA 2.557 47.668 45.100 0.019 0.000 0.775 540 G HN 1.731 nan 8.290 nan 0.000 0.545 541 T N 0.378 114.933 114.554 0.003 0.000 2.777 541 T HA 0.101 4.453 4.350 0.002 0.000 0.266 541 T C 2.637 177.291 174.700 -0.077 0.000 1.040 541 T CA 1.557 63.635 62.100 -0.037 0.000 1.141 541 T CB -0.438 68.429 68.868 -0.003 0.000 0.868 541 T HN 0.292 nan 8.240 nan 0.000 0.444 542 A N 2.086 124.876 122.820 -0.050 0.000 1.930 542 A HA -0.007 4.314 4.320 0.002 0.000 0.217 542 A C 2.324 179.878 177.584 -0.050 0.000 1.175 542 A CA 1.985 53.991 52.037 -0.051 0.000 0.627 542 A CB -0.697 18.284 19.000 -0.032 0.000 0.815 542 A HN 0.524 nan 8.150 nan 0.000 0.443 543 K N 0.855 121.233 120.400 -0.037 0.000 2.009 543 K HA -0.178 4.143 4.320 0.002 0.000 0.210 543 K C 2.232 178.808 176.600 -0.040 0.000 1.049 543 K CA 2.398 58.666 56.287 -0.032 0.000 0.929 543 K CB -0.343 32.144 32.500 -0.021 0.000 0.714 543 K HN 0.559 nan 8.250 nan 0.000 0.440 544 S N -0.375 115.296 115.700 -0.048 0.000 2.406 544 S HA -0.055 4.416 4.470 0.002 0.000 0.228 544 S C 1.732 176.279 174.600 -0.088 0.000 1.020 544 S CA 0.743 58.911 58.200 -0.053 0.000 0.965 544 S CB -0.187 62.991 63.200 -0.038 0.000 0.798 544 S HN 0.171 nan 8.310 nan 0.000 0.488 545 L N 0.956 122.099 121.223 -0.133 0.000 2.375 545 L HA 0.461 4.802 4.340 0.002 0.000 0.215 545 L C 0.678 177.490 176.870 -0.096 0.000 1.108 545 L CA 0.309 55.054 54.840 -0.159 0.000 0.830 545 L CB -0.657 41.249 42.059 -0.256 0.000 0.959 545 L HN 0.340 nan 8.230 nan 0.000 0.457 546 I N 0.792 121.320 120.570 -0.071 0.000 2.379 546 I HA -0.016 4.155 4.170 0.002 0.000 0.290 546 I C 0.288 176.382 176.117 -0.039 0.000 1.063 546 I CA -0.185 61.086 61.300 -0.048 0.000 1.351 546 I CB 0.317 38.294 38.000 -0.037 0.000 1.410 546 I HN 0.105 nan 8.210 nan 0.000 0.505 547 N N 5.653 124.333 118.700 -0.033 0.000 2.401 547 N HA 0.113 4.854 4.740 0.002 0.000 0.255 547 N C -0.516 174.982 175.510 -0.020 0.000 1.110 547 N CA 0.070 53.105 53.050 -0.025 0.000 0.949 547 N CB 0.304 38.779 38.487 -0.021 0.000 1.110 547 N HN 0.456 nan 8.380 nan 0.000 0.490 548 N N 3.949 122.639 118.700 -0.018 0.000 2.722 548 N HA 0.290 5.031 4.740 0.002 0.000 0.242 548 N C -2.736 172.766 175.510 -0.013 0.000 1.398 548 N CA -1.196 51.845 53.050 -0.015 0.000 0.755 548 N CB 0.670 39.147 38.487 -0.016 0.000 1.268 548 N HN 0.419 nan 8.380 nan 0.000 0.522 549 P HA 0.306 nan 4.420 nan 0.000 0.274 549 P C -1.118 176.176 177.300 -0.009 0.000 1.260 549 P CA -0.094 62.999 63.100 -0.010 0.000 0.793 549 P CB 0.797 32.492 31.700 -0.009 0.000 1.048 550 K N 0.296 120.690 120.400 -0.009 0.000 2.601 550 K HA 0.284 4.606 4.320 0.002 0.000 0.249 550 K C -0.425 176.171 176.600 -0.007 0.000 0.966 550 K CA -0.836 55.446 56.287 -0.008 0.000 0.827 550 K CB 0.932 33.427 32.500 -0.009 0.000 1.178 550 K HN 0.428 nan 8.250 nan 0.000 0.437 551 N N 0.775 119.472 118.700 -0.006 0.000 2.753 551 N HA -0.121 4.621 4.740 0.002 0.000 0.251 551 N C -1.965 173.542 175.510 -0.005 0.000 1.097 551 N CA 0.876 53.923 53.050 -0.005 0.000 0.786 551 N CB -1.377 37.107 38.487 -0.005 0.000 1.137 551 N HN 0.848 nan 8.380 nan 0.000 0.566 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 552 P CB 0.000 31.697 31.700 -0.005 0.000 0.726