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 2wme_1_E DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVXTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.501 177.584 -0.139 0.000 1.274 2 A CA 0.000 51.992 52.037 -0.075 0.000 0.836 2 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 3 R N -0.212 120.140 120.500 -0.246 0.000 2.096 3 R HA 0.109 4.451 4.340 0.004 0.000 0.235 3 R C -0.045 175.895 176.300 -0.599 0.000 1.127 3 R CA 1.956 57.763 56.100 -0.488 0.000 0.968 3 R CB -0.130 29.731 30.300 -0.731 0.000 0.861 3 R HN 0.366 nan 8.270 nan 0.000 0.440 4 F N 0.458 120.389 119.950 -0.031 0.000 2.598 4 F HA 0.308 4.837 4.527 0.004 0.000 0.327 4 F C 0.017 175.788 175.800 -0.049 0.000 1.057 4 F CA -1.602 56.375 58.000 -0.038 0.000 0.957 4 F CB 1.189 40.166 39.000 -0.040 0.000 1.278 4 F HN 0.080 nan 8.300 nan 0.000 0.484 5 E N -0.326 119.966 120.200 0.153 0.000 2.397 5 E HA 0.155 4.508 4.350 0.004 0.000 0.254 5 E C -0.520 176.089 176.600 0.015 0.000 1.231 5 E CA -0.786 55.642 56.400 0.047 0.000 0.954 5 E CB 0.565 30.272 29.700 0.011 0.000 1.024 5 E HN 0.648 nan 8.360 nan 0.000 0.481 6 E N 0.499 120.686 120.200 -0.022 0.000 2.452 6 E HA -0.093 4.260 4.350 0.004 0.000 0.261 6 E C -0.621 175.934 176.600 -0.075 0.000 0.987 6 E CA -0.094 56.278 56.400 -0.046 0.000 0.926 6 E CB 0.536 30.211 29.700 -0.042 0.000 0.934 6 E HN 0.289 nan 8.360 nan 0.000 0.452 7 Q N 3.241 122.993 119.800 -0.080 0.000 2.278 7 Q HA 0.297 4.639 4.340 0.004 0.000 0.257 7 Q C -0.765 175.230 176.000 -0.008 0.000 0.928 7 Q CA -0.425 55.333 55.803 -0.075 0.000 0.932 7 Q CB 1.704 30.412 28.738 -0.050 0.000 1.221 7 Q HN 0.363 nan 8.270 nan 0.000 0.434 8 K N 0.802 121.237 120.400 0.059 0.000 2.267 8 K HA 0.540 4.862 4.320 0.004 0.000 0.236 8 K C -0.030 176.764 176.600 0.323 0.000 1.030 8 K CA -0.653 55.739 56.287 0.175 0.000 0.930 8 K CB 0.903 33.510 32.500 0.178 0.000 1.182 8 K HN 0.375 nan 8.250 nan 0.000 0.474 9 L N 1.364 122.730 121.223 0.238 0.000 2.439 9 L HA 0.166 4.508 4.340 0.004 0.000 0.269 9 L C -0.397 176.582 176.870 0.181 0.000 1.179 9 L CA -0.160 54.798 54.840 0.196 0.000 0.828 9 L CB 0.085 42.215 42.059 0.117 0.000 1.106 9 L HN 0.513 nan 8.230 nan 0.000 0.467 10 Y N 3.677 123.958 120.300 -0.032 0.000 2.417 10 Y HA 0.570 5.122 4.550 0.004 0.000 0.336 10 Y C -0.391 175.430 175.900 -0.132 0.000 0.961 10 Y CA -0.381 57.594 58.100 -0.209 0.000 1.215 10 Y CB 0.667 38.919 38.460 -0.345 0.000 1.120 10 Y HN 0.318 nan 8.280 nan 0.000 0.499 11 I N 4.656 125.044 120.570 -0.303 0.000 2.534 11 I HA 0.418 4.590 4.170 0.004 0.000 0.288 11 I C 0.462 176.429 176.117 -0.249 0.000 1.077 11 I CA -0.859 60.339 61.300 -0.170 0.000 1.051 11 I CB 2.205 40.153 38.000 -0.086 0.000 1.234 11 I HN 0.790 nan 8.210 nan 0.000 0.425 12 G N 3.890 112.598 108.800 -0.152 0.000 2.198 12 G HA2 -0.039 3.923 3.960 0.004 0.000 0.257 12 G HA3 -0.039 3.923 3.960 0.004 0.000 0.257 12 G C 0.849 175.654 174.900 -0.158 0.000 1.042 12 G CA 0.351 45.379 45.100 -0.120 0.000 0.791 12 G HN 1.703 nan 8.290 nan 0.000 0.502 13 G N -1.255 107.434 108.800 -0.185 0.000 2.176 13 G HA2 0.068 4.031 3.960 0.004 0.000 0.252 13 G HA3 0.068 4.031 3.960 0.004 0.000 0.252 13 G C 0.268 174.975 174.900 -0.323 0.000 1.024 13 G CA 1.451 46.489 45.100 -0.102 0.000 0.755 13 G HN 2.302 nan 8.290 nan 0.000 0.507 14 R N -2.690 117.294 120.500 -0.858 0.000 2.752 14 R HA 0.600 4.942 4.340 0.004 0.000 0.277 14 R C -1.110 174.639 176.300 -0.918 0.000 1.024 14 R CA -1.283 54.412 56.100 -0.675 0.000 0.866 14 R CB 0.655 30.820 30.300 -0.225 0.000 1.278 14 R HN 0.108 nan 8.270 nan 0.000 0.473 15 Y N 0.554 120.666 120.300 -0.313 0.000 2.299 15 Y HA 0.456 5.009 4.550 0.004 0.000 0.326 15 Y C 0.501 176.335 175.900 -0.110 0.000 1.164 15 Y CA 0.056 58.074 58.100 -0.137 0.000 1.234 15 Y CB 1.928 40.400 38.460 0.020 0.000 1.219 15 Y HN 0.500 nan 8.280 nan 0.000 0.497 16 V N -0.265 119.692 119.914 0.073 0.000 2.962 16 V HA 0.533 4.656 4.120 0.004 0.000 0.313 16 V C -0.630 175.505 176.094 0.069 0.000 1.099 16 V CA -1.389 60.933 62.300 0.036 0.000 0.971 16 V CB 1.980 33.791 31.823 -0.019 0.000 1.028 16 V HN 0.598 nan 8.190 nan 0.000 0.430 17 E N 2.387 122.617 120.200 0.049 0.000 2.376 17 E HA 0.402 4.754 4.350 0.004 0.000 0.266 17 E C 0.620 177.250 176.600 0.050 0.000 1.009 17 E CA 0.351 56.781 56.400 0.049 0.000 0.902 17 E CB 1.400 31.120 29.700 0.034 0.000 0.972 17 E HN 1.111 nan 8.360 nan 0.000 0.439 18 A N 2.690 125.548 122.820 0.064 0.000 2.448 18 A HA 0.087 4.409 4.320 0.004 0.000 0.239 18 A C 0.898 178.515 177.584 0.055 0.000 1.080 18 A CA 0.249 52.328 52.037 0.070 0.000 0.779 18 A CB 0.208 19.263 19.000 0.092 0.000 1.026 18 A HN 0.633 nan 8.150 nan 0.000 0.499 19 S N -0.585 115.147 115.700 0.054 0.000 2.601 19 S HA 0.142 4.614 4.470 0.004 0.000 0.244 19 S C 0.981 175.611 174.600 0.050 0.000 1.001 19 S CA 0.331 58.555 58.200 0.041 0.000 0.984 19 S CB -0.223 62.991 63.200 0.024 0.000 0.842 19 S HN 1.156 nan 8.310 nan 0.000 0.474 20 S N 0.895 116.638 115.700 0.073 0.000 2.439 20 S HA 0.399 4.871 4.470 0.004 0.000 0.224 20 S C 1.852 176.497 174.600 0.075 0.000 1.029 20 S CA 0.607 58.860 58.200 0.089 0.000 0.946 20 S CB -0.847 62.430 63.200 0.129 0.000 0.797 20 S HN 1.485 nan 8.310 nan 0.000 0.504 21 G N 1.051 109.890 108.800 0.065 0.000 2.162 21 G HA2 -0.048 3.914 3.960 0.004 0.000 0.260 21 G HA3 -0.048 3.914 3.960 0.004 0.000 0.260 21 G C 0.104 175.042 174.900 0.064 0.000 0.976 21 G CA 0.145 45.277 45.100 0.055 0.000 0.655 21 G HN 1.389 nan 8.290 nan 0.000 0.533 22 A N -0.329 122.541 122.820 0.085 0.000 2.355 22 A HA 1.004 5.326 4.320 0.004 0.000 0.317 22 A C 0.176 177.834 177.584 0.123 0.000 1.094 22 A CA 0.639 52.738 52.037 0.102 0.000 0.764 22 A CB 1.697 20.768 19.000 0.119 0.000 1.230 22 A HN 1.803 nan 8.150 nan 0.000 0.448 23 T N -0.968 113.661 114.554 0.125 0.000 2.883 23 T HA 0.834 5.187 4.350 0.004 0.000 0.296 23 T C -0.551 174.276 174.700 0.211 0.000 1.117 23 T CA -0.598 61.570 62.100 0.113 0.000 1.006 23 T CB 1.208 70.082 68.868 0.010 0.000 1.191 23 T HN 1.327 nan 8.240 nan 0.000 0.508 24 F N -1.061 118.911 119.950 0.036 0.000 2.620 24 F HA 0.853 5.383 4.527 0.004 0.000 0.320 24 F C -0.445 175.374 175.800 0.030 0.000 1.069 24 F CA -1.322 56.695 58.000 0.029 0.000 0.953 24 F CB 1.360 40.376 39.000 0.027 0.000 1.322 24 F HN 0.587 nan 8.300 nan 0.000 0.479 25 E N 0.882 121.155 120.200 0.122 0.000 2.227 25 E HA 0.292 4.644 4.350 0.004 0.000 0.282 25 E C -0.905 175.772 176.600 0.128 0.000 1.015 25 E CA -0.746 55.675 56.400 0.036 0.000 0.823 25 E CB 1.817 31.542 29.700 0.042 0.000 1.081 25 E HN 0.686 nan 8.360 nan 0.000 0.396 26 T N 3.792 118.378 114.554 0.054 0.000 2.829 26 T HA 0.453 4.806 4.350 0.004 0.000 0.282 26 T C -0.503 174.238 174.700 0.069 0.000 0.990 26 T CA -0.711 61.457 62.100 0.113 0.000 1.028 26 T CB 0.314 69.259 68.868 0.128 0.000 0.951 26 T HN 0.239 nan 8.240 nan 0.000 0.460 27 I N 4.391 124.998 120.570 0.062 0.000 2.646 27 I HA 0.391 4.563 4.170 0.004 0.000 0.299 27 I C 0.216 176.350 176.117 0.029 0.000 1.036 27 I CA -1.167 60.154 61.300 0.035 0.000 1.074 27 I CB 1.767 39.783 38.000 0.027 0.000 1.258 27 I HN 0.625 nan 8.210 nan 0.000 0.430 28 N N 7.637 126.350 118.700 0.021 0.000 2.430 28 N HA 0.214 4.956 4.740 0.004 0.000 0.265 28 N C -1.754 173.763 175.510 0.012 0.000 1.100 28 N CA -1.814 51.245 53.050 0.014 0.000 0.961 28 N CB 1.442 39.937 38.487 0.013 0.000 1.075 28 N HN 0.290 nan 8.380 nan 0.000 0.478 29 P HA -0.057 nan 4.420 nan 0.000 0.226 29 P C 0.596 177.857 177.300 -0.063 0.000 1.153 29 P CA 0.648 63.724 63.100 -0.040 0.000 0.777 29 P CB 0.243 31.863 31.700 -0.133 0.000 0.794 30 A N 1.149 123.944 122.820 -0.040 0.000 2.016 30 A HA -0.102 4.221 4.320 0.004 0.000 0.217 30 A C 1.720 179.389 177.584 0.142 0.000 1.162 30 A CA 1.660 53.712 52.037 0.025 0.000 0.662 30 A CB -0.713 18.332 19.000 0.076 0.000 0.812 30 A HN 0.378 nan 8.150 nan 0.000 0.450 31 N N -4.056 114.705 118.700 0.102 0.000 2.036 31 N HA 0.189 4.931 4.740 0.004 0.000 0.228 31 N C 0.828 176.382 175.510 0.072 0.000 1.368 31 N CA 1.117 54.227 53.050 0.101 0.000 0.846 31 N CB -0.352 38.175 38.487 0.066 0.000 1.145 31 N HN 0.781 nan 8.380 nan 0.000 0.502 32 G N 0.702 109.542 108.800 0.067 0.000 2.162 32 G HA2 -0.365 3.597 3.960 0.004 0.000 0.260 32 G HA3 -0.365 3.597 3.960 0.004 0.000 0.260 32 G C -0.277 174.624 174.900 0.002 0.000 0.976 32 G CA 0.481 45.598 45.100 0.030 0.000 0.655 32 G HN 0.726 nan 8.290 nan 0.000 0.533 33 E N 0.498 120.697 120.200 -0.001 0.000 2.376 33 E HA 0.368 4.720 4.350 0.004 0.000 0.266 33 E C 0.682 177.265 176.600 -0.027 0.000 1.009 33 E CA -0.533 55.851 56.400 -0.026 0.000 0.902 33 E CB 0.622 30.297 29.700 -0.042 0.000 0.972 33 E HN 0.160 nan 8.360 nan 0.000 0.439 34 V N 7.472 127.365 119.914 -0.035 0.000 2.425 34 V HA -0.062 4.060 4.120 0.004 0.000 0.276 34 V C 1.307 177.370 176.094 -0.051 0.000 1.017 34 V CA 0.350 62.633 62.300 -0.029 0.000 1.062 34 V CB 0.333 32.140 31.823 -0.028 0.000 0.997 34 V HN 0.782 nan 8.190 nan 0.000 0.476 35 L N 4.204 125.418 121.223 -0.015 0.000 2.127 35 L HA 0.377 4.719 4.340 0.004 0.000 0.203 35 L C 0.990 177.904 176.870 0.072 0.000 1.080 35 L CA 1.282 56.121 54.840 -0.002 0.000 0.768 35 L CB -0.133 42.014 42.059 0.146 0.000 0.924 35 L HN 0.780 nan 8.230 nan 0.000 0.444 36 A N -0.743 122.115 122.820 0.062 0.000 2.599 36 A HA 0.411 4.733 4.320 0.004 0.000 0.294 36 A C -1.234 176.320 177.584 -0.051 0.000 1.055 36 A CA -0.678 51.384 52.037 0.042 0.000 0.683 36 A CB 0.967 20.029 19.000 0.103 0.000 1.278 36 A HN -0.052 nan 8.150 nan 0.000 0.412 37 K N 0.728 121.085 120.400 -0.072 0.000 2.276 37 K HA 0.577 4.900 4.320 0.004 0.000 0.283 37 K C -1.026 175.441 176.600 -0.220 0.000 1.044 37 K CA -0.084 56.122 56.287 -0.135 0.000 0.944 37 K CB 0.773 33.226 32.500 -0.077 0.000 1.012 37 K HN 0.505 nan 8.250 nan 0.000 0.472 38 V N 4.430 124.082 119.914 -0.437 0.000 2.588 38 V HA 0.194 4.316 4.120 0.004 0.000 0.304 38 V C -0.448 175.415 176.094 -0.385 0.000 1.042 38 V CA -1.050 60.917 62.300 -0.554 0.000 0.877 38 V CB 1.665 32.830 31.823 -1.097 0.000 0.996 38 V HN 0.808 nan 8.190 nan 0.000 0.425 39 Q N 2.952 122.690 119.800 -0.102 0.000 2.373 39 Q HA 0.388 4.730 4.340 0.004 0.000 0.255 39 Q C -0.385 175.739 176.000 0.206 0.000 0.980 39 Q CA -0.087 55.748 55.803 0.054 0.000 0.882 39 Q CB 1.181 29.963 28.738 0.072 0.000 1.249 39 Q HN 0.537 nan 8.270 nan 0.000 0.438 40 R N 0.850 121.495 120.500 0.242 0.000 2.294 40 R HA 0.424 4.767 4.340 0.004 0.000 0.319 40 R C -0.573 175.850 176.300 0.205 0.000 0.984 40 R CA -0.482 55.780 56.100 0.269 0.000 0.861 40 R CB 1.246 31.691 30.300 0.242 0.000 1.104 40 R HN 0.610 nan 8.270 nan 0.000 0.451 41 A N 2.456 125.398 122.820 0.204 0.000 2.520 41 A HA 0.131 4.453 4.320 0.004 0.000 0.245 41 A C 0.577 178.333 177.584 0.286 0.000 1.072 41 A CA -0.141 52.018 52.037 0.203 0.000 0.761 41 A CB 0.159 19.275 19.000 0.193 0.000 1.004 41 A HN 0.826 nan 8.150 nan 0.000 0.499 42 S N 2.375 118.204 115.700 0.215 0.000 2.655 42 S HA 0.288 4.760 4.470 0.004 0.000 0.265 42 S C 1.245 175.884 174.600 0.066 0.000 1.240 42 S CA -0.003 58.312 58.200 0.191 0.000 0.986 42 S CB 0.749 63.989 63.200 0.066 0.000 0.985 42 S HN 0.796 nan 8.310 nan 0.000 0.562 43 R N 0.541 120.812 120.500 -0.383 0.000 2.091 43 R HA -0.155 4.187 4.340 0.004 0.000 0.238 43 R C 2.381 178.516 176.300 -0.275 0.000 1.136 43 R CA 1.883 57.561 56.100 -0.702 0.000 0.959 43 R CB -0.558 29.070 30.300 -1.121 0.000 0.856 43 R HN 0.955 nan 8.270 nan 0.000 0.437 44 E N 0.269 120.365 120.200 -0.174 0.000 2.118 44 E HA -0.227 4.125 4.350 0.004 0.000 0.195 44 E C 0.938 177.519 176.600 -0.032 0.000 0.992 44 E CA 1.775 58.126 56.400 -0.082 0.000 0.804 44 E CB -0.058 29.606 29.700 -0.060 0.000 0.741 44 E HN 0.361 nan 8.360 nan 0.000 0.458 45 D N 0.352 120.750 120.400 -0.003 0.000 2.178 45 D HA -0.124 4.519 4.640 0.004 0.000 0.202 45 D C 2.129 178.447 176.300 0.031 0.000 0.974 45 D CA 0.955 54.972 54.000 0.028 0.000 0.841 45 D CB -0.105 40.735 40.800 0.067 0.000 0.953 45 D HN 0.150 nan 8.370 nan 0.000 0.478 46 V N 1.066 121.009 119.914 0.048 0.000 2.343 46 V HA -0.240 3.883 4.120 0.004 0.000 0.247 46 V C 2.494 178.571 176.094 -0.028 0.000 1.051 46 V CA 1.713 64.042 62.300 0.048 0.000 1.036 46 V CB -0.427 31.479 31.823 0.138 0.000 0.654 46 V HN 0.090 nan 8.190 nan 0.000 0.451 47 E N 0.761 120.959 120.200 -0.003 0.000 2.058 47 E HA -0.252 4.101 4.350 0.004 0.000 0.194 47 E C 2.382 178.969 176.600 -0.023 0.000 0.997 47 E CA 1.741 58.150 56.400 0.015 0.000 0.801 47 E CB -0.383 29.342 29.700 0.042 0.000 0.746 47 E HN 0.442 nan 8.360 nan 0.000 0.450 48 R N -0.366 120.123 120.500 -0.018 0.000 2.081 48 R HA -0.109 4.233 4.340 0.004 0.000 0.235 48 R C 2.120 178.400 176.300 -0.032 0.000 1.131 48 R CA 1.448 57.537 56.100 -0.019 0.000 0.960 48 R CB -0.380 29.913 30.300 -0.012 0.000 0.856 48 R HN 0.259 nan 8.270 nan 0.000 0.436 49 A N 0.091 122.888 122.820 -0.039 0.000 1.968 49 A HA -0.041 4.281 4.320 0.004 0.000 0.217 49 A C 2.197 179.737 177.584 -0.074 0.000 1.169 49 A CA 1.090 53.097 52.037 -0.049 0.000 0.638 49 A CB -0.230 18.747 19.000 -0.038 0.000 0.812 49 A HN 0.224 nan 8.150 nan 0.000 0.446 50 V N -0.074 119.768 119.914 -0.120 0.000 2.358 50 V HA -0.210 3.913 4.120 0.004 0.000 0.246 50 V C 2.702 178.751 176.094 -0.075 0.000 1.047 50 V CA 1.916 64.118 62.300 -0.165 0.000 1.035 50 V CB -0.551 31.013 31.823 -0.432 0.000 0.658 50 V HN 0.530 nan 8.190 nan 0.000 0.452 51 Q N -0.490 119.283 119.800 -0.045 0.000 2.083 51 Q HA -0.117 4.225 4.340 0.004 0.000 0.198 51 Q C 2.580 178.572 176.000 -0.012 0.000 0.969 51 Q CA 1.772 57.567 55.803 -0.013 0.000 0.838 51 Q CB -0.775 27.962 28.738 -0.002 0.000 0.900 51 Q HN 0.633 nan 8.270 nan 0.000 0.436 52 S N 0.813 116.500 115.700 -0.022 0.000 2.359 52 S HA -0.181 4.291 4.470 0.004 0.000 0.224 52 S C 2.012 176.603 174.600 -0.015 0.000 1.035 52 S CA 1.528 59.715 58.200 -0.021 0.000 1.018 52 S CB -0.126 63.054 63.200 -0.033 0.000 0.876 52 S HN 0.397 nan 8.310 nan 0.000 0.448 53 A N 0.761 123.567 122.820 -0.023 0.000 1.898 53 A HA 0.052 4.375 4.320 0.004 0.000 0.216 53 A C 2.392 179.982 177.584 0.009 0.000 1.181 53 A CA 1.635 53.664 52.037 -0.013 0.000 0.620 53 A CB -1.069 17.916 19.000 -0.023 0.000 0.819 53 A HN 0.479 nan 8.150 nan 0.000 0.442 54 V N 0.538 120.457 119.914 0.009 0.000 2.287 54 V HA -0.257 3.865 4.120 0.004 0.000 0.248 54 V C 2.587 178.701 176.094 0.032 0.000 1.053 54 V CA 2.286 64.601 62.300 0.025 0.000 1.027 54 V CB -0.708 31.129 31.823 0.024 0.000 0.646 54 V HN 0.549 nan 8.190 nan 0.000 0.447 55 E N 0.490 120.704 120.200 0.024 0.000 2.072 55 E HA -0.098 4.255 4.350 0.004 0.000 0.190 55 E C 2.379 179.004 176.600 0.042 0.000 0.982 55 E CA 1.376 57.794 56.400 0.029 0.000 0.803 55 E CB -0.741 28.971 29.700 0.020 0.000 0.755 55 E HN 0.609 nan 8.360 nan 0.000 0.453 56 G N 1.500 110.322 108.800 0.035 0.000 2.422 56 G HA2 -0.281 3.681 3.960 0.004 0.000 0.218 56 G HA3 -0.281 3.681 3.960 0.004 0.000 0.218 56 G C 1.527 176.484 174.900 0.095 0.000 1.140 56 G CA 0.437 45.566 45.100 0.047 0.000 0.775 56 G HN 0.145 nan 8.290 nan 0.000 0.545 57 Q N 0.841 120.696 119.800 0.093 0.000 2.124 57 Q HA -0.084 4.258 4.340 0.004 0.000 0.202 57 Q C 2.386 178.480 176.000 0.156 0.000 0.977 57 Q CA 1.413 57.307 55.803 0.152 0.000 0.850 57 Q CB -0.208 28.599 28.738 0.115 0.000 0.901 57 Q HN 0.488 nan 8.270 nan 0.000 0.429 58 K N -0.501 119.961 120.400 0.102 0.000 2.057 58 K HA -0.103 4.219 4.320 0.004 0.000 0.207 58 K C 2.194 178.847 176.600 0.088 0.000 1.049 58 K CA 1.482 57.816 56.287 0.079 0.000 0.931 58 K CB -0.073 32.459 32.500 0.055 0.000 0.714 58 K HN 0.017 nan 8.250 nan 0.000 0.440 59 V N 0.670 120.651 119.914 0.111 0.000 2.295 59 V HA -0.247 3.876 4.120 0.004 0.000 0.246 59 V C 1.951 178.153 176.094 0.180 0.000 1.049 59 V CA 1.581 63.953 62.300 0.122 0.000 1.024 59 V CB -0.527 31.367 31.823 0.118 0.000 0.648 59 V HN 0.544 nan 8.190 nan 0.000 0.447 60 W N 0.699 121.999 121.300 -0.000 0.000 2.381 60 W HA -0.171 4.492 4.660 0.004 0.000 0.301 60 W C 2.349 178.864 176.519 -0.007 0.000 1.205 60 W CA 1.399 58.740 57.345 -0.008 0.000 1.285 60 W CB -0.015 29.435 29.460 -0.016 0.000 1.133 60 W HN 0.291 nan 8.180 nan 0.000 0.521 61 A N 0.432 123.275 122.820 0.037 0.000 2.066 61 A HA 0.052 4.375 4.320 0.004 0.000 0.218 61 A C 1.967 179.501 177.584 -0.084 0.000 1.157 61 A CA 1.636 53.623 52.037 -0.083 0.000 0.670 61 A CB -0.963 18.039 19.000 0.003 0.000 0.804 61 A HN 0.279 nan 8.150 nan 0.000 0.453 62 A N -0.493 122.307 122.820 -0.034 0.000 2.067 62 A HA 0.251 4.574 4.320 0.004 0.000 0.217 62 A C 1.345 178.893 177.584 -0.059 0.000 1.156 62 A CA 0.230 52.248 52.037 -0.031 0.000 0.683 62 A CB -0.447 18.555 19.000 0.003 0.000 0.808 62 A HN 0.548 nan 8.150 nan 0.000 0.455 63 M N 0.969 120.515 119.600 -0.091 0.000 2.231 63 M HA 0.081 4.564 4.480 0.004 0.000 0.299 63 M C 1.034 177.241 176.300 -0.155 0.000 1.076 63 M CA 0.519 55.743 55.300 -0.126 0.000 1.152 63 M CB -0.178 32.304 32.600 -0.196 0.000 1.414 63 M HN 0.459 nan 8.290 nan 0.000 0.439 64 T N -1.028 113.449 114.554 -0.130 0.000 2.813 64 T HA 0.384 4.736 4.350 0.004 0.000 0.297 64 T C 1.141 175.734 174.700 -0.178 0.000 1.036 64 T CA -0.380 61.645 62.100 -0.124 0.000 1.044 64 T CB 1.010 69.828 68.868 -0.083 0.000 0.993 64 T HN 0.670 nan 8.240 nan 0.000 0.535 65 A N 1.471 124.200 122.820 -0.151 0.000 1.948 65 A HA -0.087 4.236 4.320 0.004 0.000 0.220 65 A C 2.226 179.726 177.584 -0.139 0.000 1.177 65 A CA 2.034 53.974 52.037 -0.160 0.000 0.636 65 A CB -0.926 18.007 19.000 -0.111 0.000 0.815 65 A HN 0.825 nan 8.150 nan 0.000 0.449 66 M N -0.397 119.144 119.600 -0.098 0.000 2.236 66 M HA -0.050 4.432 4.480 0.004 0.000 0.266 66 M C 2.043 178.304 176.300 -0.065 0.000 1.070 66 M CA 1.439 56.699 55.300 -0.067 0.000 1.137 66 M CB -0.720 31.853 32.600 -0.045 0.000 1.378 66 M HN 0.532 nan 8.290 nan 0.000 0.426 67 Q N -0.433 119.316 119.800 -0.084 0.000 2.062 67 Q HA -0.252 4.090 4.340 0.004 0.000 0.209 67 Q C 2.211 178.154 176.000 -0.096 0.000 0.996 67 Q CA 2.129 57.888 55.803 -0.074 0.000 0.859 67 Q CB -0.314 28.375 28.738 -0.081 0.000 0.920 67 Q HN 0.528 nan 8.270 nan 0.000 0.415 68 R N -0.128 120.209 120.500 -0.271 0.000 2.073 68 R HA -0.111 4.231 4.340 0.004 0.000 0.234 68 R C 2.627 178.912 176.300 -0.025 0.000 1.134 68 R CA 1.314 57.170 56.100 -0.406 0.000 0.952 68 R CB -0.560 29.220 30.300 -0.868 0.000 0.850 68 R HN 0.151 nan 8.270 nan 0.000 0.433 69 S N 0.739 116.411 115.700 -0.046 0.000 2.368 69 S HA -0.227 4.245 4.470 0.004 0.000 0.226 69 S C 1.960 176.596 174.600 0.061 0.000 1.044 69 S CA 1.644 59.857 58.200 0.021 0.000 1.062 69 S CB -0.068 63.126 63.200 -0.011 0.000 0.931 69 S HN 0.270 nan 8.310 nan 0.000 0.440 70 R N 0.185 120.713 120.500 0.046 0.000 2.091 70 R HA 0.001 4.344 4.340 0.004 0.000 0.238 70 R C 2.368 178.726 176.300 0.097 0.000 1.136 70 R CA 1.855 57.990 56.100 0.058 0.000 0.959 70 R CB -0.511 29.814 30.300 0.041 0.000 0.856 70 R HN 0.480 nan 8.270 nan 0.000 0.437 71 I N 0.659 121.317 120.570 0.147 0.000 2.179 71 I HA -0.293 3.879 4.170 0.004 0.000 0.242 71 I C 2.120 178.358 176.117 0.201 0.000 1.088 71 I CA 1.341 62.761 61.300 0.201 0.000 1.357 71 I CB -0.222 37.977 38.000 0.332 0.000 1.051 71 I HN 0.141 nan 8.210 nan 0.000 0.409 72 L N -0.101 121.266 121.223 0.240 0.000 2.093 72 L HA -0.184 4.158 4.340 0.004 0.000 0.208 72 L C 2.705 179.659 176.870 0.141 0.000 1.085 72 L CA 1.265 56.231 54.840 0.209 0.000 0.755 72 L CB -0.639 41.556 42.059 0.226 0.000 0.904 72 L HN 0.153 nan 8.230 nan 0.000 0.435 73 R N -0.132 120.434 120.500 0.109 0.000 2.091 73 R HA -0.204 4.139 4.340 0.004 0.000 0.238 73 R C 2.442 178.778 176.300 0.061 0.000 1.136 73 R CA 1.395 57.539 56.100 0.074 0.000 0.959 73 R CB -0.266 30.068 30.300 0.057 0.000 0.856 73 R HN 0.115 nan 8.270 nan 0.000 0.437 74 R N 0.869 121.410 120.500 0.069 0.000 2.081 74 R HA -0.035 4.307 4.340 0.004 0.000 0.235 74 R C 1.932 178.255 176.300 0.038 0.000 1.131 74 R CA 1.859 57.991 56.100 0.053 0.000 0.960 74 R CB -0.769 29.566 30.300 0.060 0.000 0.856 74 R HN 0.232 nan 8.270 nan 0.000 0.436 75 A N -0.068 122.784 122.820 0.053 0.000 1.917 75 A HA -0.151 4.172 4.320 0.004 0.000 0.219 75 A C 2.348 179.910 177.584 -0.037 0.000 1.182 75 A CA 1.995 54.032 52.037 -0.001 0.000 0.633 75 A CB -0.888 18.139 19.000 0.044 0.000 0.819 75 A HN 0.194 nan 8.150 nan 0.000 0.448 76 V N 0.761 120.678 119.914 0.005 0.000 2.287 76 V HA -0.294 3.828 4.120 0.004 0.000 0.248 76 V C 2.219 178.311 176.094 -0.003 0.000 1.053 76 V CA 2.334 64.635 62.300 0.003 0.000 1.027 76 V CB -0.926 30.917 31.823 0.033 0.000 0.646 76 V HN 0.529 nan 8.190 nan 0.000 0.447 77 D N 0.203 120.607 120.400 0.007 0.000 2.104 77 D HA -0.168 4.474 4.640 0.004 0.000 0.194 77 D C 2.062 178.357 176.300 -0.008 0.000 0.994 77 D CA 1.643 55.645 54.000 0.005 0.000 0.830 77 D CB -0.306 40.501 40.800 0.012 0.000 0.959 77 D HN 0.434 nan 8.370 nan 0.000 0.452 78 I N 0.576 121.135 120.570 -0.018 0.000 2.163 78 I HA -0.250 3.922 4.170 0.004 0.000 0.243 78 I C 2.527 178.615 176.117 -0.049 0.000 1.085 78 I CA 0.696 61.977 61.300 -0.033 0.000 1.347 78 I CB -0.268 37.706 38.000 -0.043 0.000 1.044 78 I HN -0.034 nan 8.210 nan 0.000 0.408 79 L N 0.162 121.345 121.223 -0.067 0.000 2.042 79 L HA -0.220 4.122 4.340 0.004 0.000 0.210 79 L C 2.869 179.717 176.870 -0.036 0.000 1.076 79 L CA 1.194 55.992 54.840 -0.071 0.000 0.749 79 L CB -0.582 41.425 42.059 -0.086 0.000 0.893 79 L HN 0.216 nan 8.230 nan 0.000 0.432 80 R N 0.346 120.834 120.500 -0.020 0.000 2.073 80 R HA -0.165 4.177 4.340 0.004 0.000 0.234 80 R C 2.066 178.363 176.300 -0.005 0.000 1.134 80 R CA 1.430 57.526 56.100 -0.005 0.000 0.952 80 R CB -0.763 29.538 30.300 0.003 0.000 0.850 80 R HN 0.518 nan 8.270 nan 0.000 0.433 81 E N 0.360 120.555 120.200 -0.008 0.000 2.085 81 E HA -0.143 4.209 4.350 0.004 0.000 0.194 81 E C 1.712 178.306 176.600 -0.010 0.000 0.994 81 E CA 1.050 57.446 56.400 -0.006 0.000 0.801 81 E CB -0.101 29.595 29.700 -0.006 0.000 0.743 81 E HN 0.276 nan 8.360 nan 0.000 0.453 82 R N 0.984 121.472 120.500 -0.020 0.000 2.356 82 R HA 0.090 4.432 4.340 0.004 0.000 0.234 82 R C 1.730 178.016 176.300 -0.023 0.000 0.929 82 R CA -0.168 55.917 56.100 -0.025 0.000 1.084 82 R CB -0.143 30.133 30.300 -0.040 0.000 1.105 82 R HN 0.200 nan 8.270 nan 0.000 0.515 83 N N 1.794 120.485 118.700 -0.015 0.000 2.060 83 N HA -0.224 4.519 4.740 0.004 0.000 0.195 83 N C 0.613 176.120 175.510 -0.006 0.000 1.028 83 N CA 1.871 54.916 53.050 -0.009 0.000 0.861 83 N CB 0.155 38.644 38.487 0.002 0.000 1.029 83 N HN 0.149 nan 8.380 nan 0.000 0.428 84 D N 0.424 120.823 120.400 -0.001 0.000 2.123 84 D HA -0.105 4.537 4.640 0.004 0.000 0.200 84 D C 1.817 178.118 176.300 0.002 0.000 0.976 84 D CA 0.601 54.603 54.000 0.004 0.000 0.831 84 D CB -0.355 40.449 40.800 0.008 0.000 0.974 84 D HN 0.482 nan 8.370 nan 0.000 0.469 85 E N 0.506 120.705 120.200 -0.002 0.000 2.058 85 E HA -0.177 4.175 4.350 0.004 0.000 0.194 85 E C 2.132 178.722 176.600 -0.016 0.000 0.997 85 E CA 0.827 57.223 56.400 -0.005 0.000 0.801 85 E CB -0.158 29.534 29.700 -0.013 0.000 0.746 85 E HN 0.234 nan 8.360 nan 0.000 0.450 86 L N 0.385 121.592 121.223 -0.027 0.000 2.141 86 L HA -0.116 4.226 4.340 0.004 0.000 0.209 86 L C 2.721 179.576 176.870 -0.026 0.000 1.094 86 L CA 0.905 55.722 54.840 -0.038 0.000 0.763 86 L CB -0.431 41.598 42.059 -0.049 0.000 0.908 86 L HN 0.216 nan 8.230 nan 0.000 0.437 87 A N 0.179 122.989 122.820 -0.016 0.000 1.902 87 A HA -0.154 4.168 4.320 0.004 0.000 0.217 87 A C 2.567 180.147 177.584 -0.005 0.000 1.181 87 A CA 1.657 53.687 52.037 -0.012 0.000 0.623 87 A CB -0.672 18.326 19.000 -0.003 0.000 0.818 87 A HN 0.379 nan 8.150 nan 0.000 0.443 88 A N -0.474 122.350 122.820 0.006 0.000 1.883 88 A HA -0.088 4.234 4.320 0.004 0.000 0.217 88 A C 2.146 179.753 177.584 0.038 0.000 1.186 88 A CA 1.812 53.863 52.037 0.024 0.000 0.624 88 A CB -0.669 18.353 19.000 0.036 0.000 0.822 88 A HN 0.684 nan 8.150 nan 0.000 0.444 89 L N -0.402 120.835 121.223 0.024 0.000 2.141 89 L HA -0.092 4.250 4.340 0.004 0.000 0.209 89 L C 2.203 179.085 176.870 0.021 0.000 1.094 89 L CA 2.516 57.371 54.840 0.025 0.000 0.763 89 L CB -0.469 41.556 42.059 -0.057 0.000 0.908 89 L HN 0.498 nan 8.230 nan 0.000 0.437 90 E N -1.216 118.982 120.200 -0.003 0.000 2.106 90 E HA -0.174 4.178 4.350 0.004 0.000 0.192 90 E C 2.008 178.596 176.600 -0.020 0.000 0.984 90 E CA 1.709 58.100 56.400 -0.014 0.000 0.806 90 E CB -0.164 29.515 29.700 -0.036 0.000 0.750 90 E HN 0.461 nan 8.360 nan 0.000 0.458 91 T N 0.630 115.174 114.554 -0.018 0.000 2.746 91 T HA -0.101 4.252 4.350 0.004 0.000 0.267 91 T C 1.753 176.451 174.700 -0.003 0.000 1.039 91 T CA 1.141 63.225 62.100 -0.025 0.000 1.142 91 T CB -0.210 68.647 68.868 -0.018 0.000 0.866 91 T HN 0.125 nan 8.240 nan 0.000 0.444 92 L N 0.742 121.987 121.223 0.036 0.000 2.012 92 L HA -0.135 4.207 4.340 0.004 0.000 0.210 92 L C 2.535 179.435 176.870 0.050 0.000 1.073 92 L CA 1.361 56.238 54.840 0.062 0.000 0.748 92 L CB -0.451 41.694 42.059 0.144 0.000 0.891 92 L HN 0.175 nan 8.230 nan 0.000 0.431 93 D N -1.014 119.417 120.400 0.052 0.000 2.234 93 D HA -0.108 4.534 4.640 0.004 0.000 0.205 93 D C 2.027 178.334 176.300 0.011 0.000 0.962 93 D CA 1.582 55.613 54.000 0.051 0.000 0.855 93 D CB 0.277 41.117 40.800 0.066 0.000 0.951 93 D HN 0.368 nan 8.370 nan 0.000 0.500 94 T N -4.870 109.674 114.554 -0.017 0.000 2.969 94 T HA 0.340 4.692 4.350 0.004 0.000 0.250 94 T C 1.713 176.351 174.700 -0.103 0.000 1.021 94 T CA 0.728 62.800 62.100 -0.047 0.000 1.003 94 T CB 0.797 69.638 68.868 -0.045 0.000 1.040 94 T HN 0.092 nan 8.240 nan 0.000 0.492 95 G N 2.006 110.746 108.800 -0.100 0.000 2.179 95 G HA2 -0.262 3.701 3.960 0.004 0.000 0.260 95 G HA3 -0.262 3.701 3.960 0.004 0.000 0.260 95 G C 0.049 174.851 174.900 -0.163 0.000 0.977 95 G CA 0.176 45.191 45.100 -0.140 0.000 0.641 95 G HN 0.663 nan 8.290 nan 0.000 0.533 96 K N 1.293 121.595 120.400 -0.163 0.000 2.436 96 K HA 0.302 4.625 4.320 0.004 0.000 0.275 96 K C -2.282 174.225 176.600 -0.155 0.000 0.999 96 K CA -1.316 54.848 56.287 -0.205 0.000 0.980 96 K CB 0.506 32.858 32.500 -0.247 0.000 0.919 96 K HN 0.092 nan 8.250 nan 0.000 0.484 97 P HA -0.083 nan 4.420 nan 0.000 0.267 97 P C 0.537 177.789 177.300 -0.081 0.000 1.200 97 P CA -0.179 62.860 63.100 -0.102 0.000 0.772 97 P CB 0.448 32.079 31.700 -0.115 0.000 0.855 98 L N 3.539 124.740 121.223 -0.037 0.000 2.191 98 L HA -0.154 4.188 4.340 0.004 0.000 0.212 98 L C 2.162 179.026 176.870 -0.009 0.000 1.103 98 L CA 1.849 56.678 54.840 -0.019 0.000 0.769 98 L CB -1.660 40.399 42.059 0.000 0.000 0.908 98 L HN 0.416 nan 8.230 nan 0.000 0.438 99 A N -1.116 121.699 122.820 -0.008 0.000 1.972 99 A HA -0.195 4.127 4.320 0.004 0.000 0.219 99 A C 2.167 179.769 177.584 0.031 0.000 1.169 99 A CA 1.614 53.660 52.037 0.016 0.000 0.635 99 A CB -0.348 18.664 19.000 0.021 0.000 0.810 99 A HN 0.555 nan 8.150 nan 0.000 0.446 100 E N -0.547 119.639 120.200 -0.023 0.000 2.028 100 E HA -0.135 4.217 4.350 0.004 0.000 0.190 100 E C 2.324 178.943 176.600 0.032 0.000 0.984 100 E CA 1.666 58.067 56.400 0.002 0.000 0.800 100 E CB -0.468 29.094 29.700 -0.231 0.000 0.758 100 E HN 0.807 nan 8.360 nan 0.000 0.448 101 T N -0.176 114.362 114.554 -0.028 0.000 2.833 101 T HA -0.109 4.243 4.350 0.004 0.000 0.269 101 T C 1.911 176.619 174.700 0.014 0.000 1.054 101 T CA 0.731 62.819 62.100 -0.020 0.000 1.135 101 T CB -0.159 68.681 68.868 -0.046 0.000 0.869 101 T HN -0.011 nan 8.240 nan 0.000 0.466 102 R N 0.638 121.150 120.500 0.020 0.000 2.148 102 R HA 0.128 4.470 4.340 0.004 0.000 0.223 102 R C 2.534 178.860 176.300 0.044 0.000 1.088 102 R CA 1.246 57.362 56.100 0.027 0.000 0.985 102 R CB -0.191 30.124 30.300 0.025 0.000 0.880 102 R HN 0.417 nan 8.270 nan 0.000 0.451 103 S N -0.649 115.091 115.700 0.066 0.000 2.502 103 S HA 0.054 4.526 4.470 0.004 0.000 0.228 103 S C 1.775 176.438 174.600 0.105 0.000 1.061 103 S CA 0.168 58.419 58.200 0.084 0.000 0.935 103 S CB 0.571 63.836 63.200 0.108 0.000 0.809 103 S HN 0.003 nan 8.310 nan 0.000 0.510 104 V N 1.707 121.705 119.914 0.139 0.000 2.868 104 V HA 0.035 4.157 4.120 0.004 0.000 0.227 104 V C 1.548 177.736 176.094 0.156 0.000 1.136 104 V CA 1.048 63.455 62.300 0.179 0.000 1.206 104 V CB -0.862 31.150 31.823 0.315 0.000 0.997 104 V HN 0.228 nan 8.190 nan 0.000 0.505 105 D N 0.947 121.434 120.400 0.146 0.000 2.177 105 D HA -0.241 4.402 4.640 0.004 0.000 0.189 105 D C 1.747 178.081 176.300 0.056 0.000 1.002 105 D CA 2.128 56.189 54.000 0.102 0.000 0.845 105 D CB -0.264 40.548 40.800 0.021 0.000 0.960 105 D HN 0.384 nan 8.370 nan 0.000 0.447 106 I N -0.322 120.271 120.570 0.038 0.000 2.584 106 I HA -0.104 4.068 4.170 0.004 0.000 0.255 106 I C 2.263 178.408 176.117 0.046 0.000 1.145 106 I CA 0.366 61.678 61.300 0.020 0.000 1.462 106 I CB -0.285 37.712 38.000 -0.005 0.000 1.102 106 I HN -0.075 nan 8.210 nan 0.000 0.433 107 V N 0.921 120.872 119.914 0.061 0.000 2.252 107 V HA -0.334 3.788 4.120 0.004 0.000 0.249 107 V C 2.690 178.845 176.094 0.102 0.000 1.056 107 V CA 2.712 65.054 62.300 0.070 0.000 1.022 107 V CB -1.311 30.553 31.823 0.068 0.000 0.641 107 V HN 0.654 nan 8.190 nan 0.000 0.445 108 T N -2.233 112.406 114.554 0.142 0.000 2.985 108 T HA 0.023 4.376 4.350 0.004 0.000 0.266 108 T C 1.884 176.813 174.700 0.381 0.000 1.076 108 T CA 1.163 63.404 62.100 0.235 0.000 1.135 108 T CB -0.348 68.681 68.868 0.269 0.000 0.890 108 T HN 0.470 nan 8.240 nan 0.000 0.480 109 G N 1.402 110.355 108.800 0.256 0.000 2.404 109 G HA2 0.110 4.072 3.960 0.004 0.000 0.215 109 G HA3 0.110 4.072 3.960 0.004 0.000 0.215 109 G C 1.897 176.936 174.900 0.231 0.000 1.174 109 G CA 0.621 45.889 45.100 0.278 0.000 0.780 109 G HN 0.689 nan 8.290 nan 0.000 0.537 110 A N 0.910 123.803 122.820 0.120 0.000 1.969 110 A HA -0.008 4.314 4.320 0.004 0.000 0.218 110 A C 2.045 179.684 177.584 0.091 0.000 1.169 110 A CA 1.973 54.056 52.037 0.077 0.000 0.635 110 A CB -0.352 18.667 19.000 0.032 0.000 0.810 110 A HN 0.265 nan 8.150 nan 0.000 0.445 111 D N -0.210 120.252 120.400 0.103 0.000 2.149 111 D HA -0.120 4.523 4.640 0.004 0.000 0.198 111 D C 1.993 178.318 176.300 0.041 0.000 0.990 111 D CA 1.476 55.515 54.000 0.065 0.000 0.839 111 D CB -0.260 40.574 40.800 0.056 0.000 0.948 111 D HN 0.247 nan 8.370 nan 0.000 0.460 112 V N 0.717 120.670 119.914 0.064 0.000 2.407 112 V HA -0.152 3.970 4.120 0.004 0.000 0.245 112 V C 2.402 178.575 176.094 0.131 0.000 1.041 112 V CA 0.749 63.037 62.300 -0.019 0.000 1.040 112 V CB -0.318 31.398 31.823 -0.178 0.000 0.671 112 V HN 0.121 nan 8.190 nan 0.000 0.455 113 L N 0.438 121.768 121.223 0.179 0.000 2.042 113 L HA -0.194 4.149 4.340 0.004 0.000 0.210 113 L C 2.388 179.351 176.870 0.155 0.000 1.076 113 L CA 2.273 57.230 54.840 0.195 0.000 0.749 113 L CB -0.625 41.523 42.059 0.147 0.000 0.893 113 L HN 0.425 nan 8.230 nan 0.000 0.432 114 E N -1.745 118.521 120.200 0.110 0.000 2.051 114 E HA -0.311 4.042 4.350 0.004 0.000 0.192 114 E C 2.188 178.838 176.600 0.083 0.000 0.991 114 E CA 1.508 57.959 56.400 0.085 0.000 0.799 114 E CB -0.391 29.349 29.700 0.067 0.000 0.748 114 E HN 0.614 nan 8.360 nan 0.000 0.449 115 Y N 0.161 120.404 120.300 -0.095 0.000 2.053 115 Y HA -0.327 4.226 4.550 0.004 0.000 0.277 115 Y C 1.882 177.683 175.900 -0.165 0.000 1.159 115 Y CA 2.165 60.145 58.100 -0.199 0.000 1.125 115 Y CB -0.679 37.547 38.460 -0.390 0.000 0.969 115 Y HN 0.148 nan 8.280 nan 0.000 0.492 116 Y N -0.180 120.110 120.300 -0.017 0.000 2.242 116 Y HA -0.108 4.444 4.550 0.004 0.000 0.291 116 Y C 2.715 178.570 175.900 -0.075 0.000 1.137 116 Y CA 0.928 58.961 58.100 -0.113 0.000 1.181 116 Y CB -1.389 37.061 38.460 -0.016 0.000 0.989 116 Y HN 0.252 nan 8.280 nan 0.000 0.527 117 A N 0.291 123.190 122.820 0.130 0.000 1.927 117 A HA -0.239 4.083 4.320 0.004 0.000 0.220 117 A C 2.594 180.192 177.584 0.022 0.000 1.185 117 A CA 2.135 54.224 52.037 0.086 0.000 0.639 117 A CB -1.498 17.557 19.000 0.091 0.000 0.820 117 A HN 0.482 nan 8.150 nan 0.000 0.451 118 G N -1.174 107.613 108.800 -0.022 0.000 2.534 118 G HA2 0.103 4.065 3.960 0.004 0.000 0.217 118 G HA3 0.103 4.065 3.960 0.004 0.000 0.217 118 G C 1.307 176.160 174.900 -0.078 0.000 1.128 118 G CA 0.750 45.819 45.100 -0.051 0.000 0.784 118 G HN 0.457 nan 8.290 nan 0.000 0.542 119 L N 0.504 121.666 121.223 -0.101 0.000 2.585 119 L HA 0.111 4.453 4.340 0.004 0.000 0.226 119 L C 2.529 179.372 176.870 -0.046 0.000 1.113 119 L CA -0.276 54.504 54.840 -0.101 0.000 0.876 119 L CB 0.171 42.139 42.059 -0.152 0.000 1.072 119 L HN -0.005 nan 8.230 nan 0.000 0.468 120 V N 1.060 120.956 119.914 -0.030 0.000 2.250 120 V HA -0.224 3.898 4.120 0.004 0.000 0.250 120 V C -0.269 175.791 176.094 -0.056 0.000 1.060 120 V CA 2.142 64.416 62.300 -0.042 0.000 1.030 120 V CB -1.653 30.135 31.823 -0.059 0.000 0.643 120 V HN 0.410 nan 8.190 nan 0.000 0.445 121 P HA 0.062 nan 4.420 nan 0.000 0.237 121 P C 1.070 178.346 177.300 -0.041 0.000 1.178 121 P CA 1.214 64.283 63.100 -0.051 0.000 0.766 121 P CB -0.065 31.606 31.700 -0.047 0.000 0.876 122 A N -0.624 122.173 122.820 -0.039 0.000 2.178 122 A HA 0.091 4.413 4.320 0.004 0.000 0.211 122 A C 1.007 178.577 177.584 -0.023 0.000 1.157 122 A CA -0.034 51.984 52.037 -0.032 0.000 0.780 122 A CB -0.845 18.132 19.000 -0.038 0.000 0.828 122 A HN 0.119 nan 8.150 nan 0.000 0.476 123 I N 1.669 122.225 120.570 -0.024 0.000 2.505 123 I HA 0.089 4.261 4.170 0.004 0.000 0.287 123 I C -0.143 175.965 176.117 -0.015 0.000 1.104 123 I CA 0.510 61.800 61.300 -0.017 0.000 1.387 123 I CB 0.213 38.201 38.000 -0.020 0.000 1.404 123 I HN 0.327 nan 8.210 nan 0.000 0.528 124 E N 3.995 124.191 120.200 -0.007 0.000 2.367 124 E HA 0.530 4.883 4.350 0.004 0.000 0.273 124 E C -0.011 176.596 176.600 0.012 0.000 0.903 124 E CA -0.877 55.523 56.400 0.001 0.000 0.764 124 E CB 1.981 31.681 29.700 0.000 0.000 1.252 124 E HN 0.633 nan 8.360 nan 0.000 0.446 125 G N 0.839 109.656 108.800 0.028 0.000 2.508 125 G HA2 0.292 4.254 3.960 0.004 0.000 0.278 125 G HA3 0.292 4.254 3.960 0.004 0.000 0.278 125 G C -0.385 174.547 174.900 0.052 0.000 1.389 125 G CA -0.215 44.914 45.100 0.048 0.000 1.050 125 G HN 0.447 nan 8.290 nan 0.000 0.522 126 E N -1.340 118.903 120.200 0.072 0.000 2.281 126 E HA 0.492 4.845 4.350 0.004 0.000 0.262 126 E C -0.910 175.763 176.600 0.121 0.000 0.933 126 E CA -0.652 55.790 56.400 0.071 0.000 0.809 126 E CB 2.017 31.747 29.700 0.051 0.000 1.242 126 E HN 0.389 nan 8.360 nan 0.000 0.418 127 Q N 1.413 121.284 119.800 0.117 0.000 2.285 127 Q HA 0.474 4.816 4.340 0.004 0.000 0.269 127 Q C -2.017 174.070 176.000 0.146 0.000 1.030 127 Q CA -0.385 55.528 55.803 0.182 0.000 0.788 127 Q CB 1.013 29.866 28.738 0.191 0.000 1.266 127 Q HN 0.503 nan 8.270 nan 0.000 0.438 128 I N 5.271 125.949 120.570 0.179 0.000 2.439 128 I HA 0.467 4.639 4.170 0.004 0.000 0.283 128 I C -2.308 173.911 176.117 0.171 0.000 1.023 128 I CA -1.968 59.410 61.300 0.129 0.000 1.100 128 I CB 2.153 40.202 38.000 0.082 0.000 1.238 128 I HN 0.541 nan 8.210 nan 0.000 0.445 129 P HA 0.240 nan 4.420 nan 0.000 0.281 129 P C 0.164 177.529 177.300 0.108 0.000 1.252 129 P CA -0.197 62.988 63.100 0.142 0.000 0.778 129 P CB 1.656 33.395 31.700 0.065 0.000 0.895 130 L N 2.651 123.947 121.223 0.122 0.000 2.286 130 L HA 0.230 4.573 4.340 0.004 0.000 0.203 130 L C 1.366 178.272 176.870 0.060 0.000 1.068 130 L CA 0.746 55.632 54.840 0.077 0.000 0.811 130 L CB -0.256 41.843 42.059 0.067 0.000 0.989 130 L HN 0.513 nan 8.230 nan 0.000 0.467 131 R N -1.965 118.578 120.500 0.073 0.000 2.752 131 R HA 0.138 4.480 4.340 0.004 0.000 0.277 131 R C 0.265 176.601 176.300 0.060 0.000 1.024 131 R CA -0.773 55.358 56.100 0.052 0.000 0.866 131 R CB 0.743 31.069 30.300 0.042 0.000 1.278 131 R HN -0.283 nan 8.270 nan 0.000 0.473 132 E N 0.604 120.829 120.200 0.041 0.000 2.114 132 E HA -0.173 4.179 4.350 0.004 0.000 0.199 132 E C 0.898 177.536 176.600 0.063 0.000 1.008 132 E CA 2.624 59.047 56.400 0.038 0.000 0.810 132 E CB 0.059 29.773 29.700 0.024 0.000 0.739 132 E HN 0.697 nan 8.360 nan 0.000 0.456 133 T N -2.457 112.141 114.554 0.073 0.000 3.122 133 T HA 0.225 4.577 4.350 0.004 0.000 0.250 133 T C 0.550 175.326 174.700 0.126 0.000 1.067 133 T CA -0.190 61.964 62.100 0.091 0.000 0.966 133 T CB 0.473 69.381 68.868 0.066 0.000 1.002 133 T HN -0.048 nan 8.240 nan 0.000 0.542 134 S N 0.674 116.465 115.700 0.150 0.000 2.533 134 S HA 0.709 5.182 4.470 0.004 0.000 0.271 134 S C -1.600 173.160 174.600 0.267 0.000 1.143 134 S CA -1.099 57.203 58.200 0.170 0.000 0.891 134 S CB 0.997 64.247 63.200 0.083 0.000 1.105 134 S HN 0.496 nan 8.310 nan 0.000 0.468 135 F N 2.263 122.238 119.950 0.043 0.000 2.626 135 F HA 0.864 5.392 4.527 0.002 0.000 0.311 135 F C -0.843 174.989 175.800 0.053 0.000 1.088 135 F CA -1.240 56.790 58.000 0.050 0.000 0.949 135 F CB 1.171 40.209 39.000 0.063 0.000 1.322 135 F HN 0.430 nan 8.300 nan 0.000 0.461 136 V N 3.366 123.320 119.914 0.067 0.000 2.547 136 V HA 0.711 4.833 4.120 0.004 0.000 0.299 136 V C -1.545 174.613 176.094 0.107 0.000 1.040 136 V CA -0.637 61.617 62.300 -0.077 0.000 0.913 136 V CB 1.400 33.170 31.823 -0.089 0.000 0.992 136 V HN 0.984 nan 8.190 nan 0.000 0.449 137 Y N 2.469 122.719 120.300 -0.083 0.000 2.524 137 Y HA 0.888 5.439 4.550 0.002 0.000 0.344 137 Y C -0.036 175.854 175.900 -0.016 0.000 1.012 137 Y CA -0.446 57.665 58.100 0.018 0.000 1.068 137 Y CB 1.604 40.112 38.460 0.080 0.000 1.249 137 Y HN 0.841 nan 8.280 nan 0.000 0.468 138 T N 0.620 115.263 114.554 0.148 0.000 2.888 138 T HA 0.706 5.058 4.350 0.004 0.000 0.284 138 T C -0.650 174.130 174.700 0.134 0.000 1.017 138 T CA -1.100 61.033 62.100 0.054 0.000 1.022 138 T CB 1.462 70.344 68.868 0.023 0.000 1.013 138 T HN 0.839 nan 8.240 nan 0.000 0.465 139 R N 1.115 121.660 120.500 0.075 0.000 2.589 139 R HA 0.505 4.847 4.340 0.004 0.000 0.293 139 R C -0.035 176.282 176.300 0.029 0.000 0.963 139 R CA -0.914 55.232 56.100 0.076 0.000 0.905 139 R CB 1.656 32.007 30.300 0.085 0.000 1.144 139 R HN 0.512 nan 8.270 nan 0.000 0.459 140 R N 2.484 122.997 120.500 0.023 0.000 2.522 140 R HA 0.126 4.468 4.340 0.004 0.000 0.290 140 R C -0.537 175.769 176.300 0.010 0.000 1.216 140 R CA -0.226 55.878 56.100 0.007 0.000 1.250 140 R CB 0.712 31.011 30.300 -0.002 0.000 1.143 140 R HN 0.553 nan 8.270 nan 0.000 0.553 141 E N 3.006 123.214 120.200 0.013 0.000 2.319 141 E HA 0.235 4.587 4.350 0.004 0.000 0.268 141 E C -2.274 174.343 176.600 0.029 0.000 1.050 141 E CA -2.162 54.248 56.400 0.018 0.000 0.878 141 E CB 0.799 30.509 29.700 0.017 0.000 1.066 141 E HN 0.146 nan 8.360 nan 0.000 0.406 142 P HA -0.071 nan 4.420 nan 0.000 0.267 142 P C 0.333 177.674 177.300 0.068 0.000 1.201 142 P CA 0.315 63.453 63.100 0.063 0.000 0.775 142 P CB 0.538 32.281 31.700 0.071 0.000 0.854 143 L N 0.848 122.126 121.223 0.093 0.000 2.093 143 L HA 0.012 4.354 4.340 0.004 0.000 0.208 143 L C 1.734 178.652 176.870 0.081 0.000 1.085 143 L CA 1.901 56.791 54.840 0.083 0.000 0.755 143 L CB -0.828 41.291 42.059 0.098 0.000 0.904 143 L HN 0.795 nan 8.230 nan 0.000 0.435 144 G N -1.146 107.712 108.800 0.097 0.000 2.344 144 G HA2 -0.195 3.767 3.960 0.004 0.000 0.215 144 G HA3 -0.195 3.767 3.960 0.004 0.000 0.215 144 G C -0.554 174.403 174.900 0.095 0.000 1.293 144 G CA -0.284 44.868 45.100 0.087 0.000 1.305 144 G HN -0.124 nan 8.290 nan 0.000 0.484 145 V N 2.221 122.183 119.914 0.081 0.000 2.394 145 V HA 0.657 4.779 4.120 0.004 0.000 0.282 145 V C 0.789 176.940 176.094 0.095 0.000 1.031 145 V CA 0.049 62.392 62.300 0.073 0.000 0.881 145 V CB 0.813 32.659 31.823 0.038 0.000 0.982 145 V HN 1.556 nan 8.190 nan 0.000 0.451 146 V N 2.052 122.038 119.914 0.120 0.000 2.960 146 V HA 1.065 5.187 4.120 0.004 0.000 0.315 146 V C -0.165 176.016 176.094 0.145 0.000 1.087 146 V CA -0.831 61.563 62.300 0.157 0.000 0.982 146 V CB 1.991 33.971 31.823 0.263 0.000 1.039 146 V HN 1.095 nan 8.190 nan 0.000 0.437 147 A N 1.415 124.325 122.820 0.151 0.000 2.355 147 A HA 0.972 5.294 4.320 0.004 0.000 0.317 147 A C 0.014 177.705 177.584 0.178 0.000 1.094 147 A CA -0.165 51.950 52.037 0.131 0.000 0.764 147 A CB 1.474 20.521 19.000 0.080 0.000 1.230 147 A HN 1.990 nan 8.150 nan 0.000 0.448 148 G N 0.712 109.627 108.800 0.191 0.000 2.461 148 G HA2 0.592 4.555 3.960 0.004 0.000 0.323 148 G HA3 0.592 4.555 3.960 0.004 0.000 0.323 148 G C -0.967 173.849 174.900 -0.140 0.000 1.229 148 G CA -0.435 44.797 45.100 0.220 0.000 0.941 148 G HN 0.638 nan 8.290 nan 0.000 0.477 149 I N 2.156 122.664 120.570 -0.104 0.000 2.382 149 I HA 0.420 4.592 4.170 0.004 0.000 0.286 149 I C 0.870 176.803 176.117 -0.306 0.000 1.002 149 I CA -0.621 60.529 61.300 -0.251 0.000 1.135 149 I CB 1.995 40.040 38.000 0.075 0.000 1.288 149 I HN 0.536 nan 8.210 nan 0.000 0.448 150 G N 4.028 112.558 108.800 -0.451 0.000 2.477 150 G HA2 0.734 4.696 3.960 0.004 0.000 0.304 150 G HA3 0.734 4.696 3.960 0.004 0.000 0.304 150 G C -0.551 174.270 174.900 -0.131 0.000 1.175 150 G CA -0.392 44.657 45.100 -0.084 0.000 0.907 150 G HN 0.707 nan 8.290 nan 0.000 0.509 151 A N 0.297 123.055 122.820 -0.104 0.000 2.269 151 A HA 0.646 4.969 4.320 0.004 0.000 0.327 151 A C 0.774 178.341 177.584 -0.029 0.000 1.112 151 A CA -0.745 51.166 52.037 -0.210 0.000 0.865 151 A CB 0.684 19.471 19.000 -0.354 0.000 1.227 151 A HN 1.069 nan 8.150 nan 0.000 0.498 152 W N 0.939 122.247 121.300 0.014 0.000 3.003 152 W HA -0.015 4.647 4.660 0.004 0.000 0.257 152 W C 0.937 177.482 176.519 0.043 0.000 1.308 152 W CA 0.693 58.057 57.345 0.032 0.000 1.529 152 W CB -0.396 29.069 29.460 0.008 0.000 1.115 152 W HN 0.852 nan 8.180 nan 0.000 0.659 153 N N 1.342 120.099 118.700 0.094 0.000 2.270 153 N HA -0.203 4.540 4.740 0.004 0.000 0.181 153 N C -0.248 175.310 175.510 0.080 0.000 1.016 153 N CA 0.894 54.053 53.050 0.182 0.000 0.870 153 N CB -1.124 37.397 38.487 0.056 0.000 0.979 153 N HN 0.256 nan 8.380 nan 0.000 0.431 154 Y N -0.132 120.161 120.300 -0.011 0.000 2.511 154 Y HA 0.406 4.959 4.550 0.004 0.000 0.356 154 Y C -1.794 174.081 175.900 -0.043 0.000 1.002 154 Y CA -1.936 56.130 58.100 -0.056 0.000 1.127 154 Y CB 2.003 40.366 38.460 -0.161 0.000 1.137 154 Y HN -0.009 nan 8.280 nan 0.000 0.652 155 P HA -0.231 nan 4.420 nan 0.000 0.213 155 P C 1.871 179.212 177.300 0.068 0.000 1.170 155 P CA 1.272 64.446 63.100 0.124 0.000 0.898 155 P CB 0.486 32.263 31.700 0.128 0.000 0.787 156 V N -0.506 119.413 119.914 0.008 0.000 2.548 156 V HA -0.208 3.914 4.120 0.004 0.000 0.249 156 V C 2.537 178.575 176.094 -0.092 0.000 1.055 156 V CA 1.682 63.947 62.300 -0.058 0.000 1.065 156 V CB -0.986 30.797 31.823 -0.066 0.000 0.681 156 V HN 0.113 nan 8.190 nan 0.000 0.462 157 Q N -0.294 119.454 119.800 -0.087 0.000 2.061 157 Q HA -0.234 4.109 4.340 0.004 0.000 0.204 157 Q C 2.174 177.983 176.000 -0.318 0.000 0.984 157 Q CA 2.586 58.255 55.803 -0.223 0.000 0.846 157 Q CB -0.226 28.344 28.738 -0.281 0.000 0.902 157 Q HN 0.697 nan 8.270 nan 0.000 0.421 158 I N 0.602 121.059 120.570 -0.188 0.000 2.315 158 I HA -0.239 3.933 4.170 0.004 0.000 0.248 158 I C 2.413 178.547 176.117 0.027 0.000 1.117 158 I CA 0.923 62.196 61.300 -0.045 0.000 1.404 158 I CB -0.319 37.719 38.000 0.063 0.000 1.071 158 I HN 0.230 nan 8.210 nan 0.000 0.419 159 A N 0.664 123.379 122.820 -0.175 0.000 1.933 159 A HA -0.143 4.179 4.320 0.004 0.000 0.218 159 A C 2.270 179.702 177.584 -0.253 0.000 1.175 159 A CA 1.362 53.034 52.037 -0.609 0.000 0.628 159 A CB -0.715 17.796 19.000 -0.816 0.000 0.814 159 A HN 0.365 nan 8.150 nan 0.000 0.444 160 L N -2.369 118.797 121.223 -0.095 0.000 2.027 160 L HA -0.185 4.157 4.340 0.004 0.000 0.206 160 L C 2.537 179.580 176.870 0.289 0.000 1.074 160 L CA 1.059 55.937 54.840 0.064 0.000 0.745 160 L CB -0.506 41.605 42.059 0.088 0.000 0.898 160 L HN 0.545 nan 8.230 nan 0.000 0.433 161 W N 0.768 122.091 121.300 0.039 0.000 2.392 161 W HA -0.137 4.526 4.660 0.004 0.000 0.279 161 W C 2.471 179.059 176.519 0.115 0.000 1.225 161 W CA 0.746 58.153 57.345 0.103 0.000 1.233 161 W CB -0.486 29.032 29.460 0.097 0.000 1.122 161 W HN 0.123 nan 8.180 nan 0.000 0.561 162 K N -0.284 120.305 120.400 0.315 0.000 2.099 162 K HA -0.047 4.275 4.320 0.004 0.000 0.203 162 K C 2.247 178.900 176.600 0.088 0.000 1.047 162 K CA 1.528 57.970 56.287 0.259 0.000 0.963 162 K CB -0.638 32.091 32.500 0.382 0.000 0.759 162 K HN 0.028 nan 8.250 nan 0.000 0.451 163 S N 1.362 117.107 115.700 0.076 0.000 2.402 163 S HA -0.060 4.412 4.470 0.004 0.000 0.229 163 S C 2.293 176.823 174.600 -0.117 0.000 1.021 163 S CA 0.835 59.026 58.200 -0.014 0.000 0.974 163 S CB -0.222 62.915 63.200 -0.105 0.000 0.800 163 S HN 0.267 nan 8.310 nan 0.000 0.484 164 A N 3.613 126.420 122.820 -0.022 0.000 1.845 164 A HA 0.051 4.373 4.320 0.004 0.000 0.215 164 A C 0.500 177.971 177.584 -0.188 0.000 1.195 164 A CA 1.536 53.588 52.037 0.025 0.000 0.616 164 A CB -1.753 17.386 19.000 0.232 0.000 0.832 164 A HN 0.606 nan 8.150 nan 0.000 0.443 165 P HA -0.086 nan 4.420 nan 0.000 0.218 165 P C 1.550 178.417 177.300 -0.722 0.000 1.149 165 P CA 1.835 64.428 63.100 -0.844 0.000 0.817 165 P CB -0.144 31.045 31.700 -0.852 0.000 0.785 166 A N 0.060 122.353 122.820 -0.879 0.000 1.858 166 A HA -0.148 4.174 4.320 0.004 0.000 0.216 166 A C 2.233 179.692 177.584 -0.208 0.000 1.190 166 A CA 1.538 53.141 52.037 -0.724 0.000 0.617 166 A CB -1.594 17.123 19.000 -0.471 0.000 0.827 166 A HN 0.075 nan 8.150 nan 0.000 0.443 167 L N -0.274 120.864 121.223 -0.142 0.000 2.046 167 L HA -0.098 4.244 4.340 0.004 0.000 0.208 167 L C 3.003 180.045 176.870 0.286 0.000 1.077 167 L CA 1.866 56.750 54.840 0.074 0.000 0.747 167 L CB -0.904 41.034 42.059 -0.201 0.000 0.896 167 L HN 0.395 nan 8.230 nan 0.000 0.432 168 A N -0.648 122.219 122.820 0.079 0.000 1.978 168 A HA -0.146 4.176 4.320 0.004 0.000 0.220 168 A C 2.232 179.816 177.584 -0.000 0.000 1.170 168 A CA 1.727 53.795 52.037 0.052 0.000 0.636 168 A CB -0.805 18.188 19.000 -0.012 0.000 0.810 168 A HN 0.373 nan 8.150 nan 0.000 0.448 169 A N -1.926 120.882 122.820 -0.020 0.000 2.278 169 A HA 0.437 4.759 4.320 0.004 0.000 0.212 169 A C 1.631 179.239 177.584 0.041 0.000 1.213 169 A CA 1.062 53.102 52.037 0.006 0.000 0.840 169 A CB -0.960 18.065 19.000 0.042 0.000 0.866 169 A HN 1.907 nan 8.150 nan 0.000 0.489 170 G N -0.477 108.376 108.800 0.088 0.000 2.132 170 G HA2 -0.221 3.741 3.960 0.004 0.000 0.234 170 G HA3 -0.221 3.741 3.960 0.004 0.000 0.234 170 G C -0.090 174.962 174.900 0.253 0.000 0.989 170 G CA 0.074 45.224 45.100 0.085 0.000 0.676 170 G HN 0.533 nan 8.290 nan 0.000 0.522 171 N N 0.323 119.171 118.700 0.246 0.000 2.476 171 N HA 0.644 5.386 4.740 0.004 0.000 0.275 171 N C 0.287 175.890 175.510 0.155 0.000 1.190 171 N CA 0.369 53.534 53.050 0.191 0.000 0.977 171 N CB 1.479 40.061 38.487 0.157 0.000 1.200 171 N HN 0.603 nan 8.380 nan 0.000 0.515 172 A N 0.655 123.533 122.820 0.097 0.000 2.312 172 A HA 0.577 4.899 4.320 0.004 0.000 0.326 172 A C -0.315 177.302 177.584 0.055 0.000 1.172 172 A CA -0.560 51.492 52.037 0.025 0.000 0.821 172 A CB 0.742 19.752 19.000 0.017 0.000 1.166 172 A HN 0.726 nan 8.150 nan 0.000 0.493 173 M N 3.018 122.655 119.600 0.063 0.000 2.321 173 M HA 0.617 5.099 4.480 0.004 0.000 0.315 173 M C -1.771 174.537 176.300 0.014 0.000 1.052 173 M CA -0.560 54.808 55.300 0.113 0.000 0.936 173 M CB 1.036 33.777 32.600 0.235 0.000 1.639 173 M HN 0.578 nan 8.290 nan 0.000 0.433 174 I N 4.943 125.519 120.570 0.011 0.000 2.304 174 I HA 0.295 4.467 4.170 0.004 0.000 0.291 174 I C -1.136 174.982 176.117 0.001 0.000 1.018 174 I CA -0.352 60.912 61.300 -0.060 0.000 1.260 174 I CB 0.752 38.725 38.000 -0.045 0.000 1.390 174 I HN 0.591 nan 8.210 nan 0.000 0.475 175 F N 7.346 127.144 119.950 -0.253 0.000 2.436 175 F HA 0.412 4.942 4.527 0.004 0.000 0.340 175 F C 0.057 175.830 175.800 -0.046 0.000 1.113 175 F CA -0.534 57.405 58.000 -0.102 0.000 1.022 175 F CB 1.009 39.979 39.000 -0.051 0.000 1.128 175 F HN 0.303 nan 8.300 nan 0.000 0.466 176 K N 8.825 128.861 120.400 -0.606 0.000 2.404 176 K HA 0.373 4.695 4.320 0.004 0.000 0.257 176 K C -2.788 173.454 176.600 -0.596 0.000 1.026 176 K CA -2.177 53.870 56.287 -0.402 0.000 0.951 176 K CB 1.180 33.551 32.500 -0.214 0.000 1.203 176 K HN 0.324 nan 8.250 nan 0.000 0.446 177 P HA -0.037 nan 4.420 nan 0.000 0.272 177 P C -0.227 177.084 177.300 0.019 0.000 1.230 177 P CA -0.262 62.870 63.100 0.053 0.000 0.788 177 P CB 0.864 32.756 31.700 0.320 0.000 0.949 178 S N 0.282 116.029 115.700 0.078 0.000 2.552 178 S HA -0.071 4.401 4.470 0.004 0.000 0.289 178 S C 1.446 176.099 174.600 0.087 0.000 1.304 178 S CA -0.101 58.153 58.200 0.089 0.000 1.063 178 S CB -0.383 62.943 63.200 0.210 0.000 0.848 178 S HN 0.539 nan 8.310 nan 0.000 0.499 179 E N 2.796 122.974 120.200 -0.036 0.000 2.209 179 E HA -0.128 4.224 4.350 0.004 0.000 0.196 179 E C 1.537 178.156 176.600 0.032 0.000 0.993 179 E CA 1.352 57.625 56.400 -0.211 0.000 0.819 179 E CB -0.016 29.404 29.700 -0.466 0.000 0.745 179 E HN 0.689 nan 8.360 nan 0.000 0.477 180 V N 0.177 120.129 119.914 0.064 0.000 2.548 180 V HA -0.127 3.995 4.120 0.004 0.000 0.249 180 V C 1.404 177.572 176.094 0.123 0.000 1.055 180 V CA 1.786 64.116 62.300 0.050 0.000 1.065 180 V CB -0.103 31.650 31.823 -0.116 0.000 0.681 180 V HN 0.388 nan 8.190 nan 0.000 0.462 181 T N -2.589 112.076 114.554 0.184 0.000 3.583 181 T HA 0.309 4.662 4.350 0.004 0.000 0.266 181 T C -1.799 173.025 174.700 0.206 0.000 1.296 181 T CA -0.938 61.271 62.100 0.182 0.000 1.668 181 T CB 1.420 70.403 68.868 0.191 0.000 0.832 181 T HN 0.265 nan 8.240 nan 0.000 0.649 182 P HA 0.237 nan 4.420 nan 0.000 0.251 182 P C 1.401 178.803 177.300 0.171 0.000 1.223 182 P CA -0.169 63.078 63.100 0.245 0.000 0.796 182 P CB 0.382 32.280 31.700 0.330 0.000 1.068 183 L N 0.399 121.691 121.223 0.115 0.000 2.044 183 L HA -0.083 4.260 4.340 0.004 0.000 0.205 183 L C 2.712 179.596 176.870 0.025 0.000 1.075 183 L CA 2.380 57.245 54.840 0.042 0.000 0.747 183 L CB -1.791 40.264 42.059 -0.006 0.000 0.903 183 L HN 0.075 nan 8.230 nan 0.000 0.435 184 T N -2.472 112.100 114.554 0.031 0.000 2.951 184 T HA -0.020 4.332 4.350 0.004 0.000 0.268 184 T C 1.931 176.639 174.700 0.012 0.000 1.073 184 T CA 0.764 62.864 62.100 -0.000 0.000 1.134 184 T CB -0.248 68.612 68.868 -0.014 0.000 0.884 184 T HN 0.282 nan 8.240 nan 0.000 0.479 185 A N 1.803 124.674 122.820 0.084 0.000 1.933 185 A HA 0.137 4.460 4.320 0.004 0.000 0.218 185 A C 2.377 180.029 177.584 0.112 0.000 1.175 185 A CA 1.254 53.365 52.037 0.123 0.000 0.628 185 A CB -0.904 18.281 19.000 0.308 0.000 0.814 185 A HN 0.544 nan 8.150 nan 0.000 0.444 186 L N -0.678 120.608 121.223 0.104 0.000 2.083 186 L HA -0.181 4.161 4.340 0.004 0.000 0.209 186 L C 2.435 179.294 176.870 -0.018 0.000 1.083 186 L CA 1.211 56.099 54.840 0.081 0.000 0.752 186 L CB -0.383 41.813 42.059 0.228 0.000 0.899 186 L HN 0.205 nan 8.230 nan 0.000 0.433 187 K N -0.087 120.301 120.400 -0.018 0.000 2.097 187 K HA -0.140 4.182 4.320 0.004 0.000 0.205 187 K C 2.031 178.538 176.600 -0.156 0.000 1.050 187 K CA 1.021 57.266 56.287 -0.070 0.000 0.938 187 K CB -0.707 31.748 32.500 -0.075 0.000 0.718 187 K HN 0.132 nan 8.250 nan 0.000 0.442 188 L N 1.427 122.545 121.223 -0.175 0.000 2.042 188 L HA -0.131 4.211 4.340 0.004 0.000 0.210 188 L C 2.170 178.836 176.870 -0.340 0.000 1.076 188 L CA 2.009 56.649 54.840 -0.333 0.000 0.749 188 L CB -0.957 40.881 42.059 -0.368 0.000 0.893 188 L HN 0.178 nan 8.230 nan 0.000 0.432 189 A N -0.975 121.754 122.820 -0.151 0.000 1.933 189 A HA -0.214 4.108 4.320 0.004 0.000 0.218 189 A C 2.110 179.373 177.584 -0.535 0.000 1.175 189 A CA 1.670 53.567 52.037 -0.234 0.000 0.628 189 A CB -0.566 18.057 19.000 -0.627 0.000 0.814 189 A HN 0.623 nan 8.150 nan 0.000 0.444 190 E N -0.115 119.780 120.200 -0.509 0.000 2.038 190 E HA -0.197 4.156 4.350 0.004 0.000 0.195 190 E C 1.889 178.435 176.600 -0.091 0.000 1.000 190 E CA 1.410 57.693 56.400 -0.195 0.000 0.803 190 E CB -0.407 29.266 29.700 -0.044 0.000 0.750 190 E HN 0.696 nan 8.360 nan 0.000 0.448 191 I N 0.473 120.952 120.570 -0.153 0.000 2.087 191 I HA -0.341 3.831 4.170 0.004 0.000 0.240 191 I C 2.314 178.362 176.117 -0.115 0.000 1.054 191 I CA 1.416 62.616 61.300 -0.166 0.000 1.311 191 I CB -0.479 37.359 38.000 -0.270 0.000 1.024 191 I HN 0.113 nan 8.210 nan 0.000 0.402 192 Y N 1.150 121.356 120.300 -0.158 0.000 2.114 192 Y HA -0.289 4.263 4.550 0.004 0.000 0.282 192 Y C 2.963 178.812 175.900 -0.085 0.000 1.165 192 Y CA 1.851 59.856 58.100 -0.158 0.000 1.148 192 Y CB -1.525 36.794 38.460 -0.234 0.000 0.972 192 Y HN 0.178 nan 8.280 nan 0.000 0.504 193 T N -0.498 114.137 114.554 0.134 0.000 2.684 193 T HA -0.235 4.118 4.350 0.004 0.000 0.267 193 T C 1.849 176.601 174.700 0.088 0.000 1.036 193 T CA 1.616 63.790 62.100 0.123 0.000 1.148 193 T CB -0.272 68.718 68.868 0.203 0.000 0.863 193 T HN 0.427 nan 8.240 nan 0.000 0.436 194 E N 0.803 121.043 120.200 0.067 0.000 2.077 194 E HA -0.131 4.222 4.350 0.004 0.000 0.193 194 E C 2.316 178.946 176.600 0.051 0.000 0.989 194 E CA 1.020 57.451 56.400 0.051 0.000 0.800 194 E CB -0.199 29.519 29.700 0.030 0.000 0.746 194 E HN 0.474 nan 8.360 nan 0.000 0.452 195 A N -0.115 122.737 122.820 0.053 0.000 2.178 195 A HA 0.016 4.339 4.320 0.004 0.000 0.218 195 A C 1.756 179.390 177.584 0.084 0.000 1.157 195 A CA 1.452 53.529 52.037 0.067 0.000 0.689 195 A CB -0.469 18.581 19.000 0.083 0.000 0.787 195 A HN 0.529 nan 8.150 nan 0.000 0.465 196 G N -2.380 106.467 108.800 0.080 0.000 2.154 196 G HA2 -0.145 3.817 3.960 0.004 0.000 0.186 196 G HA3 -0.145 3.817 3.960 0.004 0.000 0.186 196 G C 0.100 175.049 174.900 0.082 0.000 1.000 196 G CA -0.088 45.065 45.100 0.088 0.000 0.664 196 G HN 0.737 nan 8.290 nan 0.000 0.513 197 V N 2.409 122.329 119.914 0.011 0.000 2.493 197 V HA 0.256 4.378 4.120 0.004 0.000 0.292 197 V C -1.005 175.031 176.094 -0.096 0.000 1.016 197 V CA -0.512 61.679 62.300 -0.181 0.000 1.097 197 V CB 0.773 32.382 31.823 -0.357 0.000 0.947 197 V HN 0.206 nan 8.190 nan 0.000 0.479 198 P HA 0.037 nan 4.420 nan 0.000 0.266 198 P C -0.429 176.860 177.300 -0.017 0.000 1.193 198 P CA -0.217 62.891 63.100 0.014 0.000 0.770 198 P CB 0.301 32.057 31.700 0.094 0.000 0.836 199 D N 1.487 121.895 120.400 0.015 0.000 2.533 199 D HA 0.186 4.828 4.640 0.004 0.000 0.236 199 D C 1.669 177.966 176.300 -0.004 0.000 1.137 199 D CA 1.881 55.886 54.000 0.009 0.000 0.867 199 D CB -0.129 40.671 40.800 -0.001 0.000 1.170 199 D HN 0.681 nan 8.370 nan 0.000 0.474 200 G N 1.032 109.830 108.800 -0.003 0.000 2.205 200 G HA2 -0.336 3.626 3.960 0.004 0.000 0.261 200 G HA3 -0.336 3.626 3.960 0.004 0.000 0.261 200 G C 1.183 176.066 174.900 -0.029 0.000 0.980 200 G CA 0.304 45.395 45.100 -0.014 0.000 0.632 200 G HN 0.454 nan 8.290 nan 0.000 0.533 201 V N -0.926 118.947 119.914 -0.068 0.000 2.591 201 V HA 0.329 4.451 4.120 0.004 0.000 0.249 201 V C 0.913 176.960 176.094 -0.078 0.000 1.053 201 V CA 1.915 64.119 62.300 -0.160 0.000 1.068 201 V CB -0.116 31.446 31.823 -0.435 0.000 0.689 201 V HN 0.489 nan 8.190 nan 0.000 0.462 202 F N 1.444 121.283 119.950 -0.185 0.000 2.610 202 F HA 0.542 5.071 4.527 0.003 0.000 0.355 202 F C -0.437 175.396 175.800 0.055 0.000 1.140 202 F CA -1.003 56.937 58.000 -0.100 0.000 1.037 202 F CB 0.657 39.544 39.000 -0.188 0.000 1.287 202 F HN -0.038 nan 8.300 nan 0.000 0.457 203 N N 3.882 122.397 118.700 -0.309 0.000 2.405 203 N HA 0.621 5.363 4.740 0.004 0.000 0.299 203 N C -1.320 173.991 175.510 -0.332 0.000 1.075 203 N CA -0.446 52.502 53.050 -0.170 0.000 0.884 203 N CB 2.621 41.055 38.487 -0.088 0.000 1.194 203 N HN 0.260 nan 8.380 nan 0.000 0.491 204 V N 2.541 122.384 119.914 -0.118 0.000 2.487 204 V HA 0.478 4.600 4.120 0.004 0.000 0.298 204 V C -0.308 175.818 176.094 0.053 0.000 1.028 204 V CA -0.714 61.553 62.300 -0.055 0.000 0.860 204 V CB 1.680 33.521 31.823 0.030 0.000 0.991 204 V HN 0.405 nan 8.190 nan 0.000 0.427 205 L N 4.739 125.993 121.223 0.052 0.000 2.325 205 L HA 0.597 4.939 4.340 0.004 0.000 0.281 205 L C 0.363 177.300 176.870 0.112 0.000 1.004 205 L CA -0.398 54.493 54.840 0.085 0.000 0.823 205 L CB 2.247 44.344 42.059 0.065 0.000 1.236 205 L HN 0.766 nan 8.230 nan 0.000 0.415 206 T N -0.368 114.292 114.554 0.177 0.000 2.909 206 T HA 0.880 5.233 4.350 0.004 0.000 0.286 206 T C 0.351 175.194 174.700 0.238 0.000 1.002 206 T CA -0.081 62.172 62.100 0.255 0.000 1.074 206 T CB 2.266 71.360 68.868 0.377 0.000 0.984 206 T HN 0.938 nan 8.240 nan 0.000 0.495 207 G N 1.228 110.096 108.800 0.114 0.000 2.302 207 G HA2 0.361 4.323 3.960 0.004 0.000 0.264 207 G HA3 0.361 4.323 3.960 0.004 0.000 0.264 207 G C -0.440 174.309 174.900 -0.253 0.000 1.335 207 G CA -0.373 44.670 45.100 -0.094 0.000 0.982 207 G HN 1.440 nan 8.290 nan 0.000 0.473 208 S N -0.187 115.366 115.700 -0.246 0.000 2.632 208 S HA 0.583 5.055 4.470 0.004 0.000 0.271 208 S C 1.670 176.149 174.600 -0.201 0.000 1.260 208 S CA 0.821 58.877 58.200 -0.240 0.000 1.010 208 S CB 1.330 64.394 63.200 -0.225 0.000 0.965 208 S HN 2.124 nan 8.310 nan 0.000 0.534 209 G N 0.804 109.515 108.800 -0.148 0.000 2.402 209 G HA2 -0.140 3.823 3.960 0.004 0.000 0.216 209 G HA3 -0.140 3.823 3.960 0.004 0.000 0.216 209 G C 1.481 176.275 174.900 -0.177 0.000 1.162 209 G CA 0.137 45.169 45.100 -0.115 0.000 0.777 209 G HN 0.758 nan 8.290 nan 0.000 0.539 210 R N -0.110 120.277 120.500 -0.189 0.000 2.235 210 R HA 0.065 4.407 4.340 0.004 0.000 0.213 210 R C 2.113 178.183 176.300 -0.385 0.000 1.059 210 R CA 1.004 56.974 56.100 -0.217 0.000 0.997 210 R CB 0.094 30.306 30.300 -0.147 0.000 0.884 210 R HN 0.347 nan 8.270 nan 0.000 0.462 211 E N -0.665 119.213 120.200 -0.538 0.000 2.118 211 E HA -0.034 4.318 4.350 0.004 0.000 0.203 211 E C 1.632 177.416 176.600 -1.359 0.000 0.958 211 E CA 0.364 56.093 56.400 -1.118 0.000 0.957 211 E CB -0.612 28.539 29.700 -0.915 0.000 1.205 211 E HN -0.060 nan 8.360 nan 0.000 0.494 212 V N 0.920 120.396 119.914 -0.730 0.000 2.307 212 V HA -0.118 4.004 4.120 0.004 0.000 0.245 212 V C 1.903 177.908 176.094 -0.149 0.000 1.045 212 V CA 2.626 64.766 62.300 -0.266 0.000 1.024 212 V CB -0.876 30.939 31.823 -0.013 0.000 0.651 212 V HN 0.432 nan 8.190 nan 0.000 0.449 213 G N -0.811 107.884 108.800 -0.175 0.000 2.476 213 G HA2 -0.425 3.537 3.960 0.004 0.000 0.218 213 G HA3 -0.425 3.537 3.960 0.004 0.000 0.218 213 G C 1.505 176.357 174.900 -0.080 0.000 1.164 213 G CA 1.247 46.291 45.100 -0.093 0.000 0.768 213 G HN 0.660 nan 8.290 nan 0.000 0.560 214 Q N -1.079 118.616 119.800 -0.175 0.000 2.172 214 Q HA -0.083 4.259 4.340 0.004 0.000 0.200 214 Q C 2.258 178.274 176.000 0.026 0.000 0.964 214 Q CA 1.328 57.057 55.803 -0.122 0.000 0.855 214 Q CB -0.241 28.375 28.738 -0.202 0.000 0.918 214 Q HN 0.587 nan 8.270 nan 0.000 0.444 215 W N 0.689 122.002 121.300 0.022 0.000 2.363 215 W HA -0.065 4.597 4.660 0.004 0.000 0.296 215 W C 1.836 178.400 176.519 0.074 0.000 1.212 215 W CA 0.553 57.926 57.345 0.047 0.000 1.260 215 W CB -0.734 28.757 29.460 0.051 0.000 1.131 215 W HN 0.257 nan 8.180 nan 0.000 0.530 216 L N 0.245 121.619 121.223 0.251 0.000 2.017 216 L HA -0.220 4.123 4.340 0.004 0.000 0.208 216 L C 2.651 179.604 176.870 0.139 0.000 1.073 216 L CA 2.217 57.154 54.840 0.161 0.000 0.745 216 L CB -1.538 40.572 42.059 0.085 0.000 0.894 216 L HN -0.003 nan 8.230 nan 0.000 0.432 217 T N -3.480 111.132 114.554 0.097 0.000 2.962 217 T HA -0.148 4.204 4.350 0.004 0.000 0.270 217 T C 1.499 176.247 174.700 0.080 0.000 1.088 217 T CA 1.128 63.266 62.100 0.064 0.000 1.127 217 T CB -0.193 68.679 68.868 0.007 0.000 0.883 217 T HN 0.409 nan 8.240 nan 0.000 0.493 218 E N -0.202 120.070 120.200 0.119 0.000 2.340 218 E HA 0.079 4.431 4.350 0.004 0.000 0.194 218 E C 0.296 176.956 176.600 0.101 0.000 0.996 218 E CA -0.179 56.283 56.400 0.104 0.000 0.869 218 E CB -0.004 29.771 29.700 0.124 0.000 0.835 218 E HN 0.684 nan 8.360 nan 0.000 0.493 219 H N 2.347 121.459 119.070 0.070 0.000 3.004 219 H HA -0.008 4.550 4.556 0.003 0.000 0.316 219 H C -1.507 173.842 175.328 0.035 0.000 1.014 219 H CA -1.309 54.770 56.048 0.051 0.000 1.454 219 H CB 1.051 30.847 29.762 0.056 0.000 1.472 219 H HN -0.084 nan 8.280 nan 0.000 0.571 220 P HA -0.115 nan 4.420 nan 0.000 0.230 220 P C 0.695 178.064 177.300 0.114 0.000 1.158 220 P CA 0.955 64.056 63.100 0.003 0.000 0.769 220 P CB 0.393 32.046 31.700 -0.077 0.000 0.807 221 L N -1.221 120.189 121.223 0.311 0.000 2.607 221 L HA 0.222 4.564 4.340 0.004 0.000 0.228 221 L C 1.252 178.215 176.870 0.156 0.000 1.123 221 L CA -0.195 54.779 54.840 0.223 0.000 0.890 221 L CB -0.148 42.049 42.059 0.229 0.000 1.103 221 L HN -0.151 nan 8.230 nan 0.000 0.468 222 I N 0.689 121.362 120.570 0.171 0.000 2.371 222 I HA 0.033 4.205 4.170 0.004 0.000 0.290 222 I C 1.092 177.262 176.117 0.089 0.000 1.028 222 I CA -0.133 61.230 61.300 0.104 0.000 1.345 222 I CB 1.323 39.381 38.000 0.097 0.000 1.407 222 I HN 0.097 nan 8.210 nan 0.000 0.501 223 E N 4.784 125.031 120.200 0.079 0.000 2.318 223 E HA 0.025 4.377 4.350 0.004 0.000 0.193 223 E C 0.229 176.861 176.600 0.053 0.000 0.998 223 E CA 0.555 56.993 56.400 0.064 0.000 0.859 223 E CB 0.346 30.083 29.700 0.062 0.000 0.812 223 E HN 0.507 nan 8.360 nan 0.000 0.492 224 K N 0.404 120.844 120.400 0.067 0.000 2.542 224 K HA 0.317 4.639 4.320 0.004 0.000 0.259 224 K C -1.562 175.085 176.600 0.079 0.000 0.932 224 K CA -0.501 55.814 56.287 0.047 0.000 0.820 224 K CB 1.487 33.995 32.500 0.012 0.000 1.345 224 K HN -0.245 nan 8.250 nan 0.000 0.432 225 I N 2.446 123.055 120.570 0.065 0.000 2.404 225 I HA 0.310 4.482 4.170 0.004 0.000 0.293 225 I C -0.471 175.717 176.117 0.118 0.000 0.992 225 I CA -0.543 60.815 61.300 0.097 0.000 1.149 225 I CB 1.379 39.422 38.000 0.071 0.000 1.315 225 I HN 0.651 nan 8.210 nan 0.000 0.446 226 S N 7.003 122.815 115.700 0.187 0.000 2.498 226 S HA 0.673 5.145 4.470 0.004 0.000 0.317 226 S C -1.103 173.661 174.600 0.273 0.000 1.090 226 S CA -0.401 57.934 58.200 0.226 0.000 1.089 226 S CB 0.591 63.975 63.200 0.306 0.000 0.997 226 S HN 0.388 nan 8.310 nan 0.000 0.470 227 F N 3.517 123.514 119.950 0.079 0.000 2.551 227 F HA 0.698 5.227 4.527 0.004 0.000 0.316 227 F C -0.602 175.230 175.800 0.054 0.000 1.089 227 F CA -0.198 57.829 58.000 0.046 0.000 0.915 227 F CB 2.158 41.164 39.000 0.011 0.000 1.186 227 F HN 0.443 nan 8.300 nan 0.000 0.456 228 T N 3.866 117.988 114.554 -0.721 0.000 2.881 228 T HA 0.807 5.160 4.350 0.004 0.000 0.290 228 T C -0.359 173.709 174.700 -1.053 0.000 1.000 228 T CA -0.326 61.421 62.100 -0.589 0.000 0.978 228 T CB 1.302 70.035 68.868 -0.224 0.000 0.997 228 T HN 1.144 nan 8.240 nan 0.000 0.443 229 G N 1.241 109.638 108.800 -0.671 0.000 2.323 229 G HA2 0.519 4.481 3.960 0.004 0.000 0.291 229 G HA3 0.519 4.481 3.960 0.004 0.000 0.291 229 G C -0.275 174.557 174.900 -0.114 0.000 1.278 229 G CA -0.305 44.511 45.100 -0.473 0.000 0.860 229 G HN 0.853 nan 8.290 nan 0.000 0.504 230 G N -0.899 107.876 108.800 -0.041 0.000 2.544 230 G HA2 0.442 4.404 3.960 0.004 0.000 0.242 230 G HA3 0.442 4.404 3.960 0.004 0.000 0.242 230 G C 1.156 176.142 174.900 0.143 0.000 1.247 230 G CA 0.985 46.090 45.100 0.008 0.000 0.840 230 G HN 0.816 nan 8.290 nan 0.000 0.578 231 T N 1.099 115.739 114.554 0.142 0.000 2.684 231 T HA -0.237 4.115 4.350 0.004 0.000 0.267 231 T C 2.929 177.684 174.700 0.092 0.000 1.036 231 T CA 2.334 64.529 62.100 0.159 0.000 1.148 231 T CB -0.330 68.687 68.868 0.248 0.000 0.863 231 T HN 0.753 nan 8.240 nan 0.000 0.436 232 S N 1.102 116.850 115.700 0.081 0.000 2.370 232 S HA -0.167 4.305 4.470 0.004 0.000 0.226 232 S C 2.155 176.758 174.600 0.006 0.000 1.033 232 S CA 1.871 60.095 58.200 0.040 0.000 1.011 232 S CB -1.129 62.102 63.200 0.050 0.000 0.852 232 S HN 0.490 nan 8.310 nan 0.000 0.457 233 T N 1.681 116.251 114.554 0.026 0.000 2.777 233 T HA 0.072 4.424 4.350 0.004 0.000 0.266 233 T C 2.043 176.606 174.700 -0.228 0.000 1.040 233 T CA 1.317 63.398 62.100 -0.032 0.000 1.141 233 T CB -1.197 67.741 68.868 0.117 0.000 0.868 233 T HN 0.640 nan 8.240 nan 0.000 0.444 234 G N 1.664 110.368 108.800 -0.159 0.000 2.450 234 G HA2 -0.218 3.744 3.960 0.004 0.000 0.220 234 G HA3 -0.218 3.744 3.960 0.004 0.000 0.220 234 G C 1.601 176.363 174.900 -0.229 0.000 1.130 234 G CA 0.714 45.623 45.100 -0.319 0.000 0.760 234 G HN 0.438 nan 8.290 nan 0.000 0.557 235 K N 0.348 120.678 120.400 -0.117 0.000 2.026 235 K HA -0.045 4.277 4.320 0.004 0.000 0.208 235 K C 2.573 179.105 176.600 -0.114 0.000 1.048 235 K CA 1.277 57.511 56.287 -0.088 0.000 0.929 235 K CB -0.130 32.341 32.500 -0.048 0.000 0.713 235 K HN 0.205 nan 8.250 nan 0.000 0.439 236 K N 0.490 120.811 120.400 -0.131 0.000 2.032 236 K HA -0.130 4.192 4.320 0.004 0.000 0.209 236 K C 2.109 178.607 176.600 -0.171 0.000 1.048 236 K CA 1.434 57.644 56.287 -0.128 0.000 0.927 236 K CB -0.188 32.241 32.500 -0.117 0.000 0.712 236 K HN -0.066 nan 8.250 nan 0.000 0.441 237 V N 1.531 121.272 119.914 -0.288 0.000 2.261 237 V HA -0.273 3.849 4.120 0.004 0.000 0.246 237 V C 2.349 178.317 176.094 -0.211 0.000 1.047 237 V CA 1.758 63.859 62.300 -0.331 0.000 1.015 237 V CB -0.364 31.037 31.823 -0.703 0.000 0.642 237 V HN 0.378 nan 8.190 nan 0.000 0.446 238 M N -0.286 119.195 119.600 -0.198 0.000 2.080 238 M HA -0.194 4.288 4.480 0.004 0.000 0.260 238 M C 2.265 178.520 176.300 -0.075 0.000 1.068 238 M CA 2.206 57.441 55.300 -0.108 0.000 1.109 238 M CB -0.361 32.189 32.600 -0.082 0.000 1.342 238 M HN 0.401 nan 8.290 nan 0.000 0.405 239 A N -0.680 122.094 122.820 -0.077 0.000 1.892 239 A HA -0.243 4.080 4.320 0.004 0.000 0.218 239 A C 2.186 179.743 177.584 -0.045 0.000 1.188 239 A CA 2.510 54.514 52.037 -0.055 0.000 0.631 239 A CB -1.245 17.723 19.000 -0.053 0.000 0.822 239 A HN 0.607 nan 8.150 nan 0.000 0.447 240 S N -0.581 115.087 115.700 -0.055 0.000 2.368 240 S HA -0.004 4.468 4.470 0.004 0.000 0.224 240 S C 2.185 176.773 174.600 -0.020 0.000 1.029 240 S CA 1.567 59.746 58.200 -0.035 0.000 0.988 240 S CB -0.549 62.625 63.200 -0.043 0.000 0.838 240 S HN 0.901 nan 8.310 nan 0.000 0.462 241 A N 0.897 123.700 122.820 -0.028 0.000 1.908 241 A HA -0.050 4.273 4.320 0.004 0.000 0.218 241 A C 2.458 180.040 177.584 -0.004 0.000 1.181 241 A CA 2.233 54.264 52.037 -0.009 0.000 0.627 241 A CB -1.247 17.743 19.000 -0.016 0.000 0.818 241 A HN 0.594 nan 8.150 nan 0.000 0.445 242 S N 0.216 115.907 115.700 -0.015 0.000 2.348 242 S HA -0.148 4.325 4.470 0.004 0.000 0.221 242 S C 2.362 176.957 174.600 -0.009 0.000 1.033 242 S CA 1.797 59.989 58.200 -0.012 0.000 1.010 242 S CB -0.430 62.759 63.200 -0.019 0.000 0.891 242 S HN 0.902 nan 8.310 nan 0.000 0.442 243 S N 1.854 117.548 115.700 -0.011 0.000 2.461 243 S HA -0.038 4.434 4.470 0.004 0.000 0.228 243 S C 1.968 176.566 174.600 -0.004 0.000 1.005 243 S CA 0.992 59.187 58.200 -0.008 0.000 0.942 243 S CB -0.479 62.715 63.200 -0.010 0.000 0.776 243 S HN 0.577 nan 8.310 nan 0.000 0.514 244 S N 2.632 118.333 115.700 0.001 0.000 2.329 244 S HA -0.004 4.469 4.470 0.004 0.000 0.215 244 S C 1.656 176.257 174.600 0.002 0.000 1.031 244 S CA 0.978 59.181 58.200 0.004 0.000 0.985 244 S CB -0.772 62.438 63.200 0.016 0.000 0.917 244 S HN 0.939 nan 8.310 nan 0.000 0.441 245 S N -0.334 115.370 115.700 0.007 0.000 3.101 245 S HA 0.444 4.916 4.470 0.004 0.000 0.252 245 S C 0.258 174.864 174.600 0.010 0.000 0.920 245 S CA -0.422 57.783 58.200 0.009 0.000 1.158 245 S CB -0.406 62.804 63.200 0.016 0.000 1.125 245 S HN 0.473 nan 8.310 nan 0.000 0.608 246 L N 0.837 122.063 121.223 0.005 0.000 3.597 246 L HA -0.193 4.149 4.340 0.004 0.000 0.440 246 L C -0.209 176.665 176.870 0.007 0.000 1.277 246 L CA 0.495 55.337 54.840 0.003 0.000 0.852 246 L CB -1.137 40.922 42.059 0.001 0.000 1.708 246 L HN 0.511 nan 8.230 nan 0.000 0.885 247 K N 0.727 121.134 120.400 0.011 0.000 2.355 247 K HA 0.194 4.517 4.320 0.004 0.000 0.270 247 K C 0.741 177.344 176.600 0.005 0.000 1.003 247 K CA -0.708 55.588 56.287 0.015 0.000 0.957 247 K CB 0.590 33.105 32.500 0.025 0.000 0.939 247 K HN 0.072 nan 8.250 nan 0.000 0.482 248 E N 1.176 121.377 120.200 0.002 0.000 2.436 248 E HA 0.047 4.399 4.350 0.004 0.000 0.262 248 E C -0.288 176.302 176.600 -0.017 0.000 1.063 248 E CA -0.005 56.386 56.400 -0.014 0.000 0.944 248 E CB 0.759 30.440 29.700 -0.031 0.000 0.950 248 E HN 0.373 nan 8.360 nan 0.000 0.444 249 V N -1.128 118.770 119.914 -0.027 0.000 2.888 249 V HA 0.668 4.790 4.120 0.004 0.000 0.309 249 V C -0.313 175.766 176.094 -0.026 0.000 1.114 249 V CA -0.770 61.522 62.300 -0.014 0.000 0.940 249 V CB 2.274 34.093 31.823 -0.006 0.000 1.021 249 V HN 0.500 nan 8.190 nan 0.000 0.426 250 T N 6.200 120.759 114.554 0.007 0.000 2.863 250 T HA 0.746 5.098 4.350 0.004 0.000 0.285 250 T C -0.559 174.205 174.700 0.106 0.000 1.009 250 T CA -0.486 61.631 62.100 0.027 0.000 0.989 250 T CB 1.387 70.275 68.868 0.034 0.000 1.004 250 T HN 0.753 nan 8.240 nan 0.000 0.455 251 M N 3.109 122.773 119.600 0.107 0.000 2.124 251 M HA 0.381 4.864 4.480 0.004 0.000 0.280 251 M C -1.099 175.291 176.300 0.149 0.000 0.954 251 M CA -0.699 54.705 55.300 0.173 0.000 0.958 251 M CB 1.796 34.481 32.600 0.142 0.000 1.611 251 M HN 0.480 nan 8.290 nan 0.000 0.449 252 E N 3.697 123.986 120.200 0.148 0.000 2.109 252 E HA 0.702 5.054 4.350 0.004 0.000 0.278 252 E C -0.504 176.141 176.600 0.075 0.000 0.954 252 E CA -0.085 56.375 56.400 0.100 0.000 0.779 252 E CB 1.709 31.462 29.700 0.089 0.000 1.093 252 E HN 0.546 nan 8.360 nan 0.000 0.401 253 L N 0.597 121.873 121.223 0.088 0.000 2.670 253 L HA 0.738 5.080 4.340 0.004 0.000 0.251 253 L C 1.052 177.935 176.870 0.023 0.000 1.548 253 L CA -1.299 53.590 54.840 0.082 0.000 1.643 253 L CB 0.332 42.483 42.059 0.154 0.000 2.174 253 L HN 0.544 nan 8.230 nan 0.000 0.585 254 G N -1.628 107.181 108.800 0.016 0.000 2.537 254 G HA2 0.641 4.603 3.960 0.004 0.000 0.297 254 G HA3 0.641 4.603 3.960 0.004 0.000 0.297 254 G C -0.786 173.953 174.900 -0.268 0.000 1.310 254 G CA -0.008 45.019 45.100 -0.121 0.000 1.027 254 G HN 0.800 nan 8.290 nan 0.000 0.505 255 G N -1.654 106.809 108.800 -0.562 0.000 2.600 255 G HA2 0.496 4.458 3.960 0.004 0.000 0.293 255 G HA3 0.496 4.458 3.960 0.004 0.000 0.293 255 G C -1.563 172.908 174.900 -0.715 0.000 1.408 255 G CA -0.626 44.053 45.100 -0.702 0.000 0.782 255 G HN 0.566 nan 8.290 nan 0.000 0.482 256 K N 0.629 120.850 120.400 -0.299 0.000 2.992 256 K HA 0.495 4.817 4.320 0.004 0.000 0.178 256 K C -0.316 176.344 176.600 0.099 0.000 1.122 256 K CA -0.299 55.965 56.287 -0.038 0.000 0.926 256 K CB 0.426 33.004 32.500 0.131 0.000 1.121 256 K HN 0.404 nan 8.250 nan 0.000 0.610 257 S N 3.797 119.573 115.700 0.126 0.000 2.528 257 S HA 0.318 4.790 4.470 0.004 0.000 0.277 257 S C -2.375 172.388 174.600 0.271 0.000 1.297 257 S CA -0.891 57.456 58.200 0.244 0.000 1.052 257 S CB 0.638 64.073 63.200 0.390 0.000 0.917 257 S HN 0.409 nan 8.310 nan 0.000 0.492 258 P HA 0.348 nan 4.420 nan 0.000 0.288 258 P C -1.153 176.357 177.300 0.349 0.000 1.267 258 P CA -0.733 62.562 63.100 0.325 0.000 0.815 258 P CB 0.943 32.819 31.700 0.294 0.000 0.989 259 L N 4.524 125.890 121.223 0.239 0.000 2.319 259 L HA 0.481 4.824 4.340 0.004 0.000 0.281 259 L C -0.778 176.174 176.870 0.137 0.000 1.005 259 L CA -0.653 54.307 54.840 0.200 0.000 0.828 259 L CB 0.628 42.644 42.059 -0.073 0.000 1.227 259 L HN 0.217 nan 8.230 nan 0.000 0.415 260 I N 6.346 126.930 120.570 0.024 0.000 2.304 260 I HA 0.309 4.482 4.170 0.004 0.000 0.291 260 I C -0.456 175.484 176.117 -0.296 0.000 1.018 260 I CA -0.492 60.664 61.300 -0.239 0.000 1.260 260 I CB 1.099 38.724 38.000 -0.625 0.000 1.390 260 I HN 0.412 nan 8.210 nan 0.000 0.475 261 I N 7.239 127.673 120.570 -0.226 0.000 2.287 261 I HA 0.263 4.435 4.170 0.004 0.000 0.290 261 I C 0.036 176.091 176.117 -0.103 0.000 1.069 261 I CA -0.383 60.815 61.300 -0.171 0.000 1.237 261 I CB -0.329 37.488 38.000 -0.305 0.000 1.418 261 I HN 0.304 nan 8.210 nan 0.000 0.481 262 F N 7.754 127.754 119.950 0.083 0.000 2.410 262 F HA 0.272 4.801 4.527 0.004 0.000 0.334 262 F C -0.978 174.839 175.800 0.029 0.000 1.134 262 F CA -1.557 56.505 58.000 0.105 0.000 1.227 262 F CB -0.020 39.008 39.000 0.046 0.000 1.194 262 F HN 0.346 nan 8.300 nan 0.000 0.571 263 P HA -0.117 nan 4.420 nan 0.000 0.231 263 P C 0.506 177.823 177.300 0.028 0.000 1.158 263 P CA 1.064 64.175 63.100 0.018 0.000 0.763 263 P CB -0.080 31.518 31.700 -0.171 0.000 0.805 264 D N -1.110 119.326 120.400 0.060 0.000 2.339 264 D HA 0.077 4.719 4.640 0.004 0.000 0.217 264 D C 0.531 176.860 176.300 0.048 0.000 1.050 264 D CA -0.235 53.786 54.000 0.036 0.000 0.856 264 D CB -0.482 40.328 40.800 0.016 0.000 0.922 264 D HN -0.017 nan 8.370 nan 0.000 0.518 265 A N 0.695 123.555 122.820 0.067 0.000 2.407 265 A HA 0.227 4.550 4.320 0.004 0.000 0.248 265 A C -0.117 177.499 177.584 0.053 0.000 1.082 265 A CA -0.414 51.661 52.037 0.063 0.000 0.785 265 A CB 0.157 19.197 19.000 0.066 0.000 1.020 265 A HN 0.152 nan 8.150 nan 0.000 0.489 266 D N 1.309 121.741 120.400 0.053 0.000 2.450 266 D HA 0.131 4.773 4.640 0.004 0.000 0.247 266 D C 0.824 177.171 176.300 0.078 0.000 1.162 266 D CA 0.244 54.278 54.000 0.057 0.000 0.879 266 D CB 0.256 41.086 40.800 0.049 0.000 1.163 266 D HN 0.401 nan 8.370 nan 0.000 0.472 267 L N 2.987 124.266 121.223 0.093 0.000 2.395 267 L HA -0.013 4.330 4.340 0.004 0.000 0.218 267 L C 1.574 178.540 176.870 0.161 0.000 1.130 267 L CA 0.391 55.324 54.840 0.154 0.000 0.826 267 L CB -0.150 42.015 42.059 0.177 0.000 0.941 267 L HN 0.546 nan 8.230 nan 0.000 0.451 268 D N 0.109 120.569 120.400 0.099 0.000 2.097 268 D HA -0.177 4.465 4.640 0.004 0.000 0.197 268 D C 2.151 178.498 176.300 0.079 0.000 0.984 268 D CA 0.891 54.936 54.000 0.075 0.000 0.826 268 D CB 0.006 40.835 40.800 0.049 0.000 0.973 268 D HN 0.216 nan 8.370 nan 0.000 0.460 269 R N 0.938 121.484 120.500 0.076 0.000 2.083 269 R HA -0.139 4.204 4.340 0.004 0.000 0.237 269 R C 2.248 178.607 176.300 0.099 0.000 1.137 269 R CA 1.493 57.637 56.100 0.073 0.000 0.951 269 R CB -0.207 30.130 30.300 0.061 0.000 0.851 269 R HN 0.066 nan 8.270 nan 0.000 0.434 270 A N 0.599 123.496 122.820 0.128 0.000 1.908 270 A HA -0.151 4.171 4.320 0.004 0.000 0.218 270 A C 2.328 180.096 177.584 0.307 0.000 1.181 270 A CA 1.923 54.061 52.037 0.168 0.000 0.627 270 A CB -0.718 18.344 19.000 0.103 0.000 0.818 270 A HN 0.550 nan 8.150 nan 0.000 0.445 271 A N -0.292 122.728 122.820 0.333 0.000 1.897 271 A HA -0.122 4.200 4.320 0.004 0.000 0.215 271 A C 1.764 179.396 177.584 0.080 0.000 1.181 271 A CA 1.768 53.919 52.037 0.190 0.000 0.620 271 A CB -0.604 18.403 19.000 0.011 0.000 0.821 271 A HN 0.429 nan 8.150 nan 0.000 0.443 272 D N 0.228 120.671 120.400 0.071 0.000 2.133 272 D HA -0.165 4.477 4.640 0.004 0.000 0.195 272 D C 1.770 178.090 176.300 0.034 0.000 0.997 272 D CA 1.381 55.409 54.000 0.047 0.000 0.840 272 D CB -0.304 40.521 40.800 0.043 0.000 0.947 272 D HN 0.556 nan 8.370 nan 0.000 0.452 273 I N 0.609 121.205 120.570 0.044 0.000 2.286 273 I HA -0.187 3.985 4.170 0.004 0.000 0.245 273 I C 2.462 178.530 176.117 -0.080 0.000 1.104 273 I CA 0.845 62.152 61.300 0.011 0.000 1.397 273 I CB -0.239 37.800 38.000 0.065 0.000 1.072 273 I HN -0.079 nan 8.210 nan 0.000 0.417 274 A N 0.919 123.726 122.820 -0.021 0.000 1.908 274 A HA -0.199 4.123 4.320 0.004 0.000 0.218 274 A C 2.454 179.933 177.584 -0.174 0.000 1.181 274 A CA 2.367 54.354 52.037 -0.083 0.000 0.627 274 A CB -1.110 17.982 19.000 0.152 0.000 0.818 274 A HN 0.384 nan 8.150 nan 0.000 0.445 275 V N -3.313 116.568 119.914 -0.055 0.000 2.453 275 V HA -0.170 3.952 4.120 0.004 0.000 0.247 275 V C 2.217 178.316 176.094 0.009 0.000 1.048 275 V CA 1.841 64.165 62.300 0.040 0.000 1.049 275 V CB -0.805 31.127 31.823 0.182 0.000 0.672 275 V HN 0.403 nan 8.190 nan 0.000 0.457 276 M N 1.154 120.746 119.600 -0.014 0.000 2.159 276 M HA 0.022 4.504 4.480 0.004 0.000 0.263 276 M C 2.408 178.633 176.300 -0.125 0.000 1.063 276 M CA 2.183 57.480 55.300 -0.003 0.000 1.110 276 M CB -1.303 31.280 32.600 -0.029 0.000 1.374 276 M HN 0.581 nan 8.290 nan 0.000 0.411 277 A N -0.181 122.427 122.820 -0.354 0.000 2.209 277 A HA -0.072 4.251 4.320 0.004 0.000 0.212 277 A C 1.864 179.139 177.584 -0.515 0.000 1.158 277 A CA 1.102 52.716 52.037 -0.705 0.000 0.742 277 A CB -0.434 17.721 19.000 -1.408 0.000 0.790 277 A HN 0.538 nan 8.150 nan 0.000 0.472 278 N N -2.192 116.213 118.700 -0.493 0.000 2.445 278 N HA 0.145 4.887 4.740 0.004 0.000 0.204 278 N C 0.090 175.260 175.510 -0.568 0.000 1.098 278 N CA 0.624 53.253 53.050 -0.701 0.000 0.859 278 N CB 0.400 38.178 38.487 -1.182 0.000 1.249 278 N HN 0.422 nan 8.380 nan 0.000 0.462 279 F N -0.245 119.758 119.950 0.089 0.000 2.728 279 F HA 0.344 4.873 4.527 0.004 0.000 0.314 279 F C 0.426 176.368 175.800 0.237 0.000 1.094 279 F CA -1.037 57.085 58.000 0.203 0.000 1.217 279 F CB -0.378 38.721 39.000 0.165 0.000 1.056 279 F HN -0.181 nan 8.300 nan 0.000 0.577 280 F N 1.723 121.775 119.950 0.169 0.000 2.563 280 F HA 0.196 4.725 4.527 0.004 0.000 0.363 280 F C 1.448 177.277 175.800 0.048 0.000 1.123 280 F CA 0.216 58.280 58.000 0.108 0.000 1.307 280 F CB 0.485 39.532 39.000 0.079 0.000 1.115 280 F HN 0.073 nan 8.300 nan 0.000 0.592 281 S N 2.625 118.038 115.700 -0.478 0.000 3.486 281 S HA -0.270 4.202 4.470 0.004 0.000 0.371 281 S C 0.459 174.888 174.600 -0.285 0.000 1.001 281 S CA 0.782 58.768 58.200 -0.356 0.000 1.164 281 S CB -2.231 60.869 63.200 -0.166 0.000 0.911 281 S HN 1.025 nan 8.310 nan 0.000 0.472 282 S N -1.519 113.951 115.700 -0.383 0.000 3.581 282 S HA -0.126 4.346 4.470 0.004 0.000 0.354 282 S C 1.573 176.100 174.600 -0.121 0.000 1.059 282 S CA 0.954 58.820 58.200 -0.557 0.000 1.060 282 S CB -1.951 60.705 63.200 -0.906 0.000 0.908 282 S HN 2.488 nan 8.310 nan 0.000 0.475 283 G N 0.022 108.835 108.800 0.022 0.000 2.162 283 G HA2 -0.320 3.642 3.960 0.004 0.000 0.260 283 G HA3 -0.320 3.642 3.960 0.004 0.000 0.260 283 G C -0.087 174.683 174.900 -0.217 0.000 0.976 283 G CA 0.461 45.558 45.100 -0.004 0.000 0.655 283 G HN 0.700 nan 8.290 nan 0.000 0.533 284 Q N 0.225 119.835 119.800 -0.315 0.000 2.936 284 Q HA 0.542 4.885 4.340 0.004 0.000 0.383 284 Q C 0.218 175.877 176.000 -0.569 0.000 1.167 284 Q CA -0.243 55.080 55.803 -0.799 0.000 1.038 284 Q CB 1.138 29.660 28.738 -0.360 0.000 1.409 284 Q HN 0.387 nan 8.270 nan 0.000 0.448 288 N N 2.222 121.115 118.700 0.321 0.000 2.353 288 N HA 0.377 5.119 4.740 0.004 0.000 0.248 288 N C 0.778 176.365 175.510 0.129 0.000 1.240 288 N CA 1.006 54.166 53.050 0.184 0.000 0.862 288 N CB 0.563 39.049 38.487 -0.002 0.000 1.086 288 N HN 0.606 nan 8.380 nan 0.000 0.453 289 G N 0.221 108.844 108.800 -0.294 0.000 3.343 289 G HA2 0.133 4.095 3.960 0.004 0.000 0.279 289 G HA3 0.133 4.095 3.960 0.004 0.000 0.279 289 G C 1.007 175.703 174.900 -0.340 0.000 0.919 289 G CA -0.394 44.410 45.100 -0.494 0.000 1.812 289 G HN 0.617 nan 8.290 nan 0.000 0.584 290 T N -1.741 112.721 114.554 -0.154 0.000 3.129 290 T HA 0.185 4.537 4.350 0.004 0.000 0.251 290 T C 0.993 175.629 174.700 -0.105 0.000 1.117 290 T CA -0.044 61.975 62.100 -0.134 0.000 1.034 290 T CB 0.288 69.106 68.868 -0.083 0.000 0.968 290 T HN 0.298 nan 8.240 nan 0.000 0.526 291 R N 0.997 121.446 120.500 -0.085 0.000 2.337 291 R HA 0.595 4.937 4.340 0.004 0.000 0.319 291 R C -1.624 174.567 176.300 -0.183 0.000 0.954 291 R CA -0.549 55.456 56.100 -0.158 0.000 0.840 291 R CB 2.207 32.463 30.300 -0.074 0.000 1.164 291 R HN 0.098 nan 8.270 nan 0.000 0.472 292 V N 5.185 124.945 119.914 -0.256 0.000 2.313 292 V HA 0.341 4.464 4.120 0.004 0.000 0.278 292 V C -0.579 175.404 176.094 -0.185 0.000 1.017 292 V CA -0.627 61.596 62.300 -0.129 0.000 0.823 292 V CB 0.743 32.560 31.823 -0.011 0.000 1.010 292 V HN 0.557 nan 8.190 nan 0.000 0.443 293 F N 5.522 125.454 119.950 -0.030 0.000 2.404 293 F HA 0.567 5.096 4.527 0.004 0.000 0.358 293 F C 0.057 175.910 175.800 0.090 0.000 1.120 293 F CA -0.342 57.685 58.000 0.045 0.000 1.144 293 F CB 1.293 40.237 39.000 -0.092 0.000 1.133 293 F HN 0.313 nan 8.300 nan 0.000 0.495 294 I N 3.511 124.220 120.570 0.232 0.000 2.465 294 I HA 0.280 4.452 4.170 0.004 0.000 0.291 294 I C -0.411 175.585 176.117 -0.200 0.000 1.014 294 I CA -0.774 60.520 61.300 -0.010 0.000 1.093 294 I CB 0.918 38.851 38.000 -0.112 0.000 1.267 294 I HN 0.486 nan 8.210 nan 0.000 0.431 295 H N 5.379 124.120 119.070 -0.550 0.000 2.848 295 H HA 0.190 4.748 4.556 0.004 0.000 0.341 295 H C 1.373 176.481 175.328 -0.366 0.000 1.060 295 H CA 0.775 56.327 56.048 -0.827 0.000 1.444 295 H CB 0.791 30.221 29.762 -0.552 0.000 1.446 295 H HN 0.608 nan 8.280 nan 0.000 0.583 296 R N 1.865 121.865 120.500 -0.833 0.000 2.140 296 R HA -0.233 4.109 4.340 0.004 0.000 0.250 296 R C 2.023 178.215 176.300 -0.179 0.000 1.150 296 R CA 2.121 57.965 56.100 -0.427 0.000 0.966 296 R CB -0.294 29.754 30.300 -0.419 0.000 0.869 296 R HN 0.792 nan 8.270 nan 0.000 0.445 297 S N -0.736 114.949 115.700 -0.024 0.000 2.453 297 S HA -0.090 4.382 4.470 0.004 0.000 0.231 297 S C 1.521 176.168 174.600 0.078 0.000 1.005 297 S CA 0.693 58.957 58.200 0.107 0.000 0.949 297 S CB 0.169 63.497 63.200 0.214 0.000 0.774 297 S HN 0.459 nan 8.310 nan 0.000 0.510 298 Q N 0.119 119.961 119.800 0.070 0.000 2.282 298 Q HA 0.177 4.519 4.340 0.004 0.000 0.206 298 Q C 2.015 178.068 176.000 0.089 0.000 0.878 298 Q CA -0.063 55.780 55.803 0.066 0.000 0.944 298 Q CB 0.073 28.835 28.738 0.040 0.000 1.100 298 Q HN 0.747 nan 8.270 nan 0.000 0.509 299 Q N 1.065 120.898 119.800 0.054 0.000 2.030 299 Q HA -0.202 4.140 4.340 0.004 0.000 0.204 299 Q C 1.874 177.944 176.000 0.116 0.000 0.986 299 Q CA 1.686 57.542 55.803 0.088 0.000 0.843 299 Q CB -0.018 28.734 28.738 0.024 0.000 0.904 299 Q HN 0.354 nan 8.270 nan 0.000 0.420 300 A N 1.003 123.864 122.820 0.068 0.000 1.858 300 A HA -0.202 4.121 4.320 0.004 0.000 0.216 300 A C 2.090 179.707 177.584 0.056 0.000 1.190 300 A CA 1.675 53.740 52.037 0.048 0.000 0.617 300 A CB -0.525 18.491 19.000 0.028 0.000 0.827 300 A HN 0.403 nan 8.150 nan 0.000 0.443 301 R N -1.767 118.778 120.500 0.075 0.000 2.120 301 R HA -0.062 4.281 4.340 0.004 0.000 0.234 301 R C 1.867 178.237 176.300 0.117 0.000 1.123 301 R CA 1.456 57.602 56.100 0.077 0.000 0.975 301 R CB -0.507 29.841 30.300 0.080 0.000 0.866 301 R HN 0.606 nan 8.270 nan 0.000 0.446 302 F N 1.770 121.722 119.950 0.003 0.000 2.128 302 F HA -0.071 4.458 4.527 0.004 0.000 0.295 302 F C 1.741 177.540 175.800 -0.003 0.000 1.100 302 F CA 1.403 59.405 58.000 0.004 0.000 1.260 302 F CB -0.134 38.871 39.000 0.009 0.000 1.009 302 F HN -0.063 nan 8.300 nan 0.000 0.476 303 E N 0.275 120.425 120.200 -0.084 0.000 2.118 303 E HA -0.224 4.128 4.350 0.004 0.000 0.195 303 E C 2.332 178.827 176.600 -0.175 0.000 0.992 303 E CA 1.076 57.364 56.400 -0.186 0.000 0.804 303 E CB -0.417 29.252 29.700 -0.052 0.000 0.741 303 E HN 0.505 nan 8.360 nan 0.000 0.458 304 A N 1.603 124.362 122.820 -0.101 0.000 1.902 304 A HA -0.204 4.118 4.320 0.004 0.000 0.217 304 A C 1.949 179.468 177.584 -0.109 0.000 1.181 304 A CA 1.327 53.314 52.037 -0.084 0.000 0.623 304 A CB -0.219 18.757 19.000 -0.040 0.000 0.818 304 A HN 0.032 nan 8.150 nan 0.000 0.443 305 K N -0.445 119.882 120.400 -0.122 0.000 2.211 305 K HA -0.009 4.314 4.320 0.004 0.000 0.203 305 K C 1.850 178.327 176.600 -0.205 0.000 1.050 305 K CA 1.155 57.368 56.287 -0.124 0.000 0.945 305 K CB -0.210 32.256 32.500 -0.057 0.000 0.732 305 K HN 0.344 nan 8.250 nan 0.000 0.451 306 V N 1.563 121.262 119.914 -0.358 0.000 2.323 306 V HA -0.212 3.910 4.120 0.004 0.000 0.244 306 V C 2.181 178.155 176.094 -0.200 0.000 1.041 306 V CA 1.181 63.276 62.300 -0.341 0.000 1.025 306 V CB -0.325 31.185 31.823 -0.522 0.000 0.656 306 V HN 0.223 nan 8.190 nan 0.000 0.451 307 L N 0.645 121.755 121.223 -0.188 0.000 2.012 307 L HA -0.232 4.110 4.340 0.004 0.000 0.210 307 L C 2.475 179.263 176.870 -0.136 0.000 1.073 307 L CA 2.576 57.325 54.840 -0.152 0.000 0.748 307 L CB -0.723 41.258 42.059 -0.130 0.000 0.891 307 L HN 0.505 nan 8.230 nan 0.000 0.431 308 E N -0.566 119.564 120.200 -0.116 0.000 2.070 308 E HA -0.314 4.038 4.350 0.004 0.000 0.197 308 E C 2.296 178.839 176.600 -0.095 0.000 1.004 308 E CA 1.703 58.046 56.400 -0.095 0.000 0.805 308 E CB -0.094 29.561 29.700 -0.074 0.000 0.744 308 E HN 0.507 nan 8.360 nan 0.000 0.451 309 R N -0.344 120.099 120.500 -0.096 0.000 2.090 309 R HA -0.049 4.293 4.340 0.004 0.000 0.228 309 R C 2.412 178.638 176.300 -0.124 0.000 1.110 309 R CA 1.118 57.170 56.100 -0.081 0.000 0.973 309 R CB -0.038 30.233 30.300 -0.048 0.000 0.869 309 R HN 0.099 nan 8.270 nan 0.000 0.440 310 V N 1.017 120.829 119.914 -0.169 0.000 2.548 310 V HA -0.193 3.929 4.120 0.004 0.000 0.249 310 V C 2.013 177.938 176.094 -0.281 0.000 1.055 310 V CA 1.567 63.695 62.300 -0.286 0.000 1.065 310 V CB -0.364 31.264 31.823 -0.326 0.000 0.681 310 V HN 0.350 nan 8.190 nan 0.000 0.462 311 Q N 0.355 120.035 119.800 -0.201 0.000 2.224 311 Q HA -0.144 4.198 4.340 0.004 0.000 0.203 311 Q C 2.096 178.006 176.000 -0.149 0.000 0.970 311 Q CA 1.205 56.905 55.803 -0.172 0.000 0.865 311 Q CB -0.099 28.560 28.738 -0.131 0.000 0.922 311 Q HN 0.732 nan 8.270 nan 0.000 0.445 312 R N 0.126 120.547 120.500 -0.132 0.000 2.388 312 R HA 0.228 4.570 4.340 0.004 0.000 0.247 312 R C 0.131 176.365 176.300 -0.110 0.000 0.931 312 R CA -0.176 55.863 56.100 -0.102 0.000 1.082 312 R CB -0.070 30.189 30.300 -0.069 0.000 1.135 312 R HN 0.047 nan 8.270 nan 0.000 0.525 313 I N 2.913 123.379 120.570 -0.172 0.000 2.662 313 I HA -0.011 4.161 4.170 0.004 0.000 0.285 313 I C 0.433 176.455 176.117 -0.159 0.000 1.161 313 I CA 0.154 61.339 61.300 -0.192 0.000 1.415 313 I CB 0.565 38.339 38.000 -0.377 0.000 1.385 313 I HN 0.129 nan 8.210 nan 0.000 0.552 314 R N 6.837 127.295 120.500 -0.070 0.000 3.701 314 R HA 0.252 4.594 4.340 0.004 0.000 0.210 314 R C -0.299 176.005 176.300 0.008 0.000 1.598 314 R CA -0.457 55.624 56.100 -0.032 0.000 1.427 314 R CB 0.022 30.323 30.300 0.001 0.000 1.339 314 R HN 0.549 nan 8.270 nan 0.000 0.720 315 L N 1.833 123.025 121.223 -0.051 0.000 2.462 315 L HA 0.302 4.644 4.340 0.004 0.000 0.272 315 L C 0.269 177.052 176.870 -0.144 0.000 1.166 315 L CA 0.642 55.471 54.840 -0.019 0.000 0.880 315 L CB 0.392 42.365 42.059 -0.144 0.000 1.142 315 L HN 0.636 nan 8.230 nan 0.000 0.473 316 G N 3.243 112.020 108.800 -0.038 0.000 2.340 316 G HA2 0.049 4.012 3.960 0.004 0.000 0.299 316 G HA3 0.049 4.012 3.960 0.004 0.000 0.299 316 G C -1.713 173.363 174.900 0.293 0.000 1.291 316 G CA -0.740 44.429 45.100 0.115 0.000 0.841 316 G HN 0.516 nan 8.290 nan 0.000 0.500 317 D N 1.154 121.760 120.400 0.342 0.000 2.479 317 D HA 0.123 4.765 4.640 0.004 0.000 0.257 317 D C -0.599 175.797 176.300 0.160 0.000 1.230 317 D CA -1.245 52.913 54.000 0.263 0.000 0.912 317 D CB 1.429 42.326 40.800 0.161 0.000 1.130 317 D HN 0.056 nan 8.370 nan 0.000 0.515 318 P HA -0.130 nan 4.420 nan 0.000 0.228 318 P C 0.818 178.138 177.300 0.034 0.000 1.151 318 P CA 0.698 63.828 63.100 0.049 0.000 0.770 318 P CB 0.390 32.090 31.700 -0.000 0.000 0.786 319 Q N -0.347 119.482 119.800 0.048 0.000 2.378 319 Q HA -0.027 4.315 4.340 0.004 0.000 0.205 319 Q C 0.589 176.608 176.000 0.033 0.000 0.954 319 Q CA 0.721 56.545 55.803 0.035 0.000 0.901 319 Q CB -0.463 28.296 28.738 0.035 0.000 0.981 319 Q HN 0.319 nan 8.270 nan 0.000 0.483 320 D N 1.196 121.622 120.400 0.042 0.000 2.325 320 D HA 0.030 4.672 4.640 0.004 0.000 0.251 320 D C 0.477 176.796 176.300 0.031 0.000 1.196 320 D CA 0.035 54.057 54.000 0.037 0.000 0.866 320 D CB 0.867 41.696 40.800 0.048 0.000 1.101 320 D HN 0.009 nan 8.370 nan 0.000 0.476 321 E N 2.210 122.424 120.200 0.024 0.000 2.284 321 E HA -0.226 4.127 4.350 0.004 0.000 0.200 321 E C 0.849 177.463 176.600 0.024 0.000 1.008 321 E CA 1.106 57.519 56.400 0.022 0.000 0.829 321 E CB 0.115 29.827 29.700 0.020 0.000 0.744 321 E HN 0.501 nan 8.360 nan 0.000 0.491 322 N N -0.697 118.019 118.700 0.026 0.000 2.412 322 N HA -0.008 4.734 4.740 0.004 0.000 0.184 322 N C -0.453 175.077 175.510 0.032 0.000 1.101 322 N CA 0.184 53.250 53.050 0.027 0.000 0.881 322 N CB 0.606 39.107 38.487 0.024 0.000 0.969 322 N HN -0.083 nan 8.380 nan 0.000 0.459 323 T N 1.031 115.608 114.554 0.038 0.000 2.901 323 T HA 0.052 4.405 4.350 0.004 0.000 0.301 323 T C 0.840 175.560 174.700 0.033 0.000 1.012 323 T CA -0.050 62.078 62.100 0.047 0.000 1.135 323 T CB 0.562 69.466 68.868 0.060 0.000 0.936 323 T HN 0.400 nan 8.240 nan 0.000 0.539 324 N N 1.033 119.762 118.700 0.049 0.000 2.194 324 N HA 0.140 4.883 4.740 0.004 0.000 0.231 324 N C -0.778 174.785 175.510 0.088 0.000 1.247 324 N CA -0.460 52.614 53.050 0.040 0.000 0.884 324 N CB 0.278 38.800 38.487 0.059 0.000 1.146 324 N HN 0.510 nan 8.380 nan 0.000 0.516 325 F N 0.759 120.661 119.950 -0.081 0.000 3.164 325 F HA 0.659 5.188 4.527 0.004 0.000 0.375 325 F C 0.267 176.041 175.800 -0.044 0.000 1.257 325 F CA -0.909 57.039 58.000 -0.086 0.000 1.171 325 F CB 0.791 39.734 39.000 -0.095 0.000 1.588 325 F HN 0.060 nan 8.300 nan 0.000 0.604 326 G N 4.324 112.947 108.800 -0.295 0.000 2.508 326 G HA2 0.530 4.492 3.960 0.004 0.000 0.278 326 G HA3 0.530 4.492 3.960 0.004 0.000 0.278 326 G C -2.730 171.946 174.900 -0.373 0.000 1.389 326 G CA -1.358 43.629 45.100 -0.188 0.000 1.050 326 G HN 0.357 nan 8.290 nan 0.000 0.522 327 P HA 0.241 nan 4.420 nan 0.000 0.276 327 P C 0.093 177.096 177.300 -0.494 0.000 1.261 327 P CA -0.451 62.139 63.100 -0.850 0.000 0.800 327 P CB 1.005 31.984 31.700 -1.201 0.000 1.066 328 L N 0.418 121.410 121.223 -0.384 0.000 2.474 328 L HA 0.064 4.406 4.340 0.004 0.000 0.259 328 L C 2.269 178.988 176.870 -0.252 0.000 1.232 328 L CA -0.286 54.422 54.840 -0.219 0.000 0.821 328 L CB 0.010 42.015 42.059 -0.090 0.000 1.108 328 L HN 0.138 nan 8.230 nan 0.000 0.495 329 V N 0.125 119.870 119.914 -0.282 0.000 2.759 329 V HA -0.100 4.022 4.120 0.004 0.000 0.256 329 V C 0.893 176.780 176.094 -0.344 0.000 1.080 329 V CA 1.645 63.689 62.300 -0.428 0.000 1.101 329 V CB 0.097 31.335 31.823 -0.975 0.000 0.698 329 V HN 0.968 nan 8.190 nan 0.000 0.477 330 S N -3.609 111.941 115.700 -0.250 0.000 2.615 330 S HA 0.366 4.838 4.470 0.004 0.000 0.268 330 S C -0.167 174.422 174.600 -0.019 0.000 1.146 330 S CA -0.354 57.788 58.200 -0.097 0.000 0.818 330 S CB 0.579 63.697 63.200 -0.136 0.000 1.111 330 S HN -0.003 nan 8.310 nan 0.000 0.465 331 F N 1.311 121.228 119.950 -0.056 0.000 2.149 331 F HA 0.214 4.743 4.527 0.004 0.000 0.294 331 F C -0.849 174.953 175.800 0.002 0.000 1.095 331 F CA 1.174 59.161 58.000 -0.021 0.000 1.276 331 F CB -1.199 37.792 39.000 -0.015 0.000 1.023 331 F HN 0.435 nan 8.300 nan 0.000 0.480 332 P HA -0.260 nan 4.420 nan 0.000 0.217 332 P C 1.219 178.601 177.300 0.136 0.000 1.158 332 P CA 1.991 65.172 63.100 0.135 0.000 0.887 332 P CB -0.152 31.610 31.700 0.102 0.000 0.792 333 H N -1.290 117.790 119.070 0.017 0.000 2.293 333 H HA -0.065 4.493 4.556 0.004 0.000 0.300 333 H C 2.073 177.435 175.328 0.056 0.000 1.082 333 H CA 1.750 57.828 56.048 0.051 0.000 1.308 333 H CB -1.026 28.733 29.762 -0.004 0.000 1.375 333 H HN -0.096 nan 8.280 nan 0.000 0.495 334 M N 0.086 119.630 119.600 -0.095 0.000 2.116 334 M HA -0.275 4.208 4.480 0.004 0.000 0.255 334 M C 1.884 178.135 176.300 -0.081 0.000 1.075 334 M CA 2.314 57.525 55.300 -0.149 0.000 1.087 334 M CB -0.048 32.407 32.600 -0.241 0.000 1.340 334 M HN 0.299 nan 8.290 nan 0.000 0.402 335 E N -0.262 119.927 120.200 -0.018 0.000 2.077 335 E HA -0.173 4.179 4.350 0.004 0.000 0.193 335 E C 2.035 178.640 176.600 0.009 0.000 0.989 335 E CA 1.664 58.075 56.400 0.018 0.000 0.800 335 E CB -0.293 29.442 29.700 0.058 0.000 0.746 335 E HN 0.497 nan 8.360 nan 0.000 0.452 336 S N -0.656 115.052 115.700 0.013 0.000 2.353 336 S HA -0.169 4.303 4.470 0.004 0.000 0.222 336 S C 2.042 176.691 174.600 0.082 0.000 1.035 336 S CA 1.417 59.639 58.200 0.037 0.000 1.025 336 S CB -0.384 62.884 63.200 0.114 0.000 0.902 336 S HN 0.126 nan 8.310 nan 0.000 0.440 337 V N 2.220 122.151 119.914 0.028 0.000 2.282 337 V HA -0.209 3.913 4.120 0.004 0.000 0.249 337 V C 2.410 178.590 176.094 0.144 0.000 1.057 337 V CA 2.128 64.492 62.300 0.107 0.000 1.032 337 V CB -0.780 31.014 31.823 -0.049 0.000 0.645 337 V HN 0.484 nan 8.190 nan 0.000 0.447 338 L N 0.308 121.569 121.223 0.064 0.000 2.141 338 L HA -0.059 4.283 4.340 0.004 0.000 0.209 338 L C 2.636 179.546 176.870 0.066 0.000 1.094 338 L CA 1.508 56.389 54.840 0.067 0.000 0.763 338 L CB -1.091 40.988 42.059 0.034 0.000 0.908 338 L HN 0.479 nan 8.230 nan 0.000 0.437 339 G N -1.028 107.783 108.800 0.019 0.000 2.422 339 G HA2 -0.290 3.672 3.960 0.004 0.000 0.218 339 G HA3 -0.290 3.672 3.960 0.004 0.000 0.218 339 G C 1.310 176.167 174.900 -0.071 0.000 1.146 339 G CA 0.539 45.608 45.100 -0.051 0.000 0.769 339 G HN 0.242 nan 8.290 nan 0.000 0.547 340 Y N 0.533 120.858 120.300 0.041 0.000 2.200 340 Y HA 0.058 4.610 4.550 0.004 0.000 0.290 340 Y C 2.763 178.694 175.900 0.051 0.000 1.137 340 Y CA 0.683 58.807 58.100 0.040 0.000 1.163 340 Y CB -0.239 38.256 38.460 0.058 0.000 0.988 340 Y HN 0.117 nan 8.280 nan 0.000 0.518 341 I N -0.308 120.427 120.570 0.274 0.000 2.208 341 I HA -0.273 3.899 4.170 0.004 0.000 0.245 341 I C 2.129 178.390 176.117 0.239 0.000 1.097 341 I CA 1.347 62.843 61.300 0.326 0.000 1.363 341 I CB -0.232 37.934 38.000 0.277 0.000 1.051 341 I HN 0.205 nan 8.210 nan 0.000 0.413 342 E N 0.119 120.398 120.200 0.131 0.000 2.152 342 E HA -0.159 4.193 4.350 0.004 0.000 0.192 342 E C 2.280 178.903 176.600 0.039 0.000 0.983 342 E CA 1.248 57.699 56.400 0.085 0.000 0.818 342 E CB -0.264 29.465 29.700 0.048 0.000 0.758 342 E HN 0.383 nan 8.360 nan 0.000 0.467 343 S N 0.323 116.029 115.700 0.010 0.000 2.382 343 S HA -0.106 4.366 4.470 0.004 0.000 0.228 343 S C 2.137 176.683 174.600 -0.090 0.000 1.027 343 S CA 1.616 59.799 58.200 -0.028 0.000 0.991 343 S CB -0.388 62.798 63.200 -0.024 0.000 0.823 343 S HN 0.296 nan 8.310 nan 0.000 0.469 344 G N 1.110 109.793 108.800 -0.194 0.000 2.422 344 G HA2 -0.141 3.821 3.960 0.004 0.000 0.218 344 G HA3 -0.141 3.821 3.960 0.004 0.000 0.218 344 G C 1.604 176.306 174.900 -0.330 0.000 1.146 344 G CA 0.746 45.484 45.100 -0.602 0.000 0.769 344 G HN 0.585 nan 8.290 nan 0.000 0.547 345 K N 0.525 120.910 120.400 -0.024 0.000 2.031 345 K HA 0.148 4.470 4.320 0.004 0.000 0.205 345 K C 2.959 179.583 176.600 0.039 0.000 1.049 345 K CA 0.844 57.199 56.287 0.113 0.000 0.939 345 K CB -0.221 32.381 32.500 0.170 0.000 0.717 345 K HN 0.232 nan 8.250 nan 0.000 0.438 346 A N 1.606 124.434 122.820 0.013 0.000 1.940 346 A HA -0.206 4.116 4.320 0.004 0.000 0.219 346 A C 1.822 179.400 177.584 -0.010 0.000 1.176 346 A CA 1.394 53.432 52.037 0.003 0.000 0.631 346 A CB -0.338 18.661 19.000 -0.003 0.000 0.814 346 A HN 0.320 nan 8.150 nan 0.000 0.446 347 Q N -1.545 118.233 119.800 -0.036 0.000 2.403 347 Q HA 0.076 4.419 4.340 0.004 0.000 0.203 347 Q C -0.297 175.683 176.000 -0.034 0.000 0.932 347 Q CA 0.029 55.807 55.803 -0.041 0.000 0.945 347 Q CB 0.307 29.006 28.738 -0.065 0.000 1.045 347 Q HN 0.461 nan 8.270 nan 0.000 0.511 348 K N -1.114 119.277 120.400 -0.016 0.000 3.379 348 K HA -0.140 4.182 4.320 0.004 0.000 0.300 348 K C -0.468 176.142 176.600 0.017 0.000 1.302 348 K CA 0.586 56.880 56.287 0.011 0.000 0.877 348 K CB -1.628 30.879 32.500 0.011 0.000 1.343 348 K HN 0.332 nan 8.250 nan 0.000 0.488 349 A N 1.373 124.184 122.820 -0.016 0.000 2.386 349 A HA 0.337 4.659 4.320 0.004 0.000 0.248 349 A C 0.451 178.160 177.584 0.207 0.000 1.082 349 A CA -0.012 52.040 52.037 0.025 0.000 0.789 349 A CB 0.326 19.209 19.000 -0.196 0.000 1.025 349 A HN 0.356 nan 8.150 nan 0.000 0.490 350 R N 1.663 122.299 120.500 0.227 0.000 2.254 350 R HA 0.438 4.780 4.340 0.004 0.000 0.318 350 R C -1.045 175.381 176.300 0.209 0.000 1.031 350 R CA -0.581 55.631 56.100 0.186 0.000 0.905 350 R CB 0.422 30.776 30.300 0.091 0.000 1.050 350 R HN 0.602 nan 8.270 nan 0.000 0.456 351 L N 5.762 127.034 121.223 0.081 0.000 2.315 351 L HA 0.109 4.451 4.340 0.004 0.000 0.283 351 L C 0.479 177.254 176.870 -0.158 0.000 1.089 351 L CA 0.093 54.806 54.840 -0.211 0.000 0.833 351 L CB 1.129 43.026 42.059 -0.269 0.000 1.170 351 L HN 0.848 nan 8.230 nan 0.000 0.442 352 L N 5.920 127.031 121.223 -0.187 0.000 2.095 352 L HA 0.171 4.513 4.340 0.004 0.000 0.204 352 L C 0.452 177.223 176.870 -0.166 0.000 1.080 352 L CA 1.225 55.982 54.840 -0.137 0.000 0.759 352 L CB 0.071 42.063 42.059 -0.111 0.000 0.914 352 L HN 0.889 nan 8.230 nan 0.000 0.439 353 C N -4.416 114.749 119.300 -0.225 0.000 3.231 353 C HA 0.729 5.191 4.460 0.004 0.000 0.343 353 C C 0.612 175.443 174.990 -0.265 0.000 1.349 353 C CA -0.838 58.047 59.018 -0.221 0.000 1.209 353 C CB 0.786 28.403 27.740 -0.206 0.000 1.475 353 C HN 0.984 nan 8.230 nan 0.000 0.460 354 G N 0.386 109.044 108.800 -0.237 0.000 2.528 354 G HA2 0.387 4.349 3.960 0.004 0.000 0.262 354 G HA3 0.387 4.349 3.960 0.004 0.000 0.262 354 G C 1.236 176.019 174.900 -0.194 0.000 1.200 354 G CA 2.084 47.049 45.100 -0.225 0.000 0.951 354 G HN 3.328 nan 8.290 nan 0.000 0.566 355 G N -1.036 107.668 108.800 -0.160 0.000 2.157 355 G HA2 0.205 4.168 3.960 0.004 0.000 0.239 355 G HA3 0.205 4.168 3.960 0.004 0.000 0.239 355 G C 0.136 175.013 174.900 -0.037 0.000 0.982 355 G CA 1.664 46.699 45.100 -0.108 0.000 0.650 355 G HN 2.108 nan 8.290 nan 0.000 0.527 356 E N -0.804 119.369 120.200 -0.045 0.000 2.408 356 E HA 0.627 4.979 4.350 0.004 0.000 0.275 356 E C -0.225 176.366 176.600 -0.016 0.000 0.935 356 E CA -1.302 55.086 56.400 -0.021 0.000 0.775 356 E CB 1.594 31.279 29.700 -0.026 0.000 1.277 356 E HN 0.237 nan 8.360 nan 0.000 0.455 357 R N 0.939 121.438 120.500 -0.001 0.000 2.643 357 R HA 0.210 4.552 4.340 0.004 0.000 0.270 357 R C -0.758 175.545 176.300 0.004 0.000 1.061 357 R CA -0.284 55.819 56.100 0.005 0.000 1.107 357 R CB 0.789 31.095 30.300 0.010 0.000 0.999 357 R HN 0.399 nan 8.270 nan 0.000 0.460 358 V N 4.574 124.493 119.914 0.008 0.000 2.334 358 V HA 0.108 4.230 4.120 0.004 0.000 0.267 358 V C 1.051 177.182 176.094 0.062 0.000 1.040 358 V CA -0.088 62.200 62.300 -0.019 0.000 0.866 358 V CB 1.039 32.767 31.823 -0.159 0.000 1.019 358 V HN 1.058 nan 8.190 nan 0.000 0.468 359 T N -0.818 113.788 114.554 0.087 0.000 3.044 359 T HA 0.170 4.522 4.350 0.004 0.000 0.260 359 T C 0.400 175.174 174.700 0.124 0.000 1.019 359 T CA -0.330 61.844 62.100 0.123 0.000 0.921 359 T CB 0.095 69.016 68.868 0.089 0.000 1.053 359 T HN 0.475 nan 8.240 nan 0.000 0.533 360 D N 1.984 122.465 120.400 0.135 0.000 2.399 360 D HA 0.413 5.055 4.640 0.004 0.000 0.241 360 D C 1.409 177.701 176.300 -0.013 0.000 1.133 360 D CA 1.607 55.655 54.000 0.080 0.000 0.890 360 D CB 1.087 41.938 40.800 0.086 0.000 1.201 360 D HN 0.465 nan 8.370 nan 0.000 0.432 361 G N 1.762 110.501 108.800 -0.102 0.000 2.614 361 G HA2 -0.331 3.631 3.960 0.004 0.000 0.303 361 G HA3 -0.331 3.631 3.960 0.004 0.000 0.303 361 G C 0.927 175.694 174.900 -0.222 0.000 1.270 361 G CA 0.831 45.798 45.100 -0.221 0.000 0.988 361 G HN 0.705 nan 8.290 nan 0.000 0.551 362 A N -0.989 121.616 122.820 -0.358 0.000 2.239 362 A HA 0.440 4.762 4.320 0.004 0.000 0.209 362 A C 1.955 179.475 177.584 -0.106 0.000 1.171 362 A CA 1.905 53.809 52.037 -0.221 0.000 0.768 362 A CB -0.445 18.427 19.000 -0.215 0.000 0.790 362 A HN 0.683 nan 8.150 nan 0.000 0.478 363 F N 0.004 119.914 119.950 -0.066 0.000 2.407 363 F HA 0.052 4.582 4.527 0.004 0.000 0.299 363 F C 2.415 178.273 175.800 0.098 0.000 1.097 363 F CA 0.318 58.249 58.000 -0.115 0.000 1.422 363 F CB -1.063 37.723 39.000 -0.358 0.000 1.067 363 F HN 0.291 nan 8.300 nan 0.000 0.539 364 G N -0.195 108.740 108.800 0.226 0.000 2.470 364 G HA2 -0.192 3.770 3.960 0.004 0.000 0.220 364 G HA3 -0.192 3.770 3.960 0.004 0.000 0.220 364 G C 1.876 176.929 174.900 0.255 0.000 1.121 364 G CA 0.478 45.704 45.100 0.210 0.000 0.766 364 G HN 0.108 nan 8.290 nan 0.000 0.553 365 K N 0.641 121.183 120.400 0.236 0.000 2.296 365 K HA 0.065 4.387 4.320 0.004 0.000 0.200 365 K C 1.526 178.327 176.600 0.334 0.000 1.048 365 K CA 0.466 56.893 56.287 0.233 0.000 0.966 365 K CB -0.119 32.469 32.500 0.147 0.000 0.754 365 K HN 0.279 nan 8.250 nan 0.000 0.466 366 G N -0.307 108.729 108.800 0.393 0.000 2.552 366 G HA2 0.470 4.432 3.960 0.004 0.000 0.318 366 G HA3 0.470 4.432 3.960 0.004 0.000 0.318 366 G C -0.802 174.085 174.900 -0.021 0.000 1.240 366 G CA -0.364 44.890 45.100 0.258 0.000 1.002 366 G HN 0.100 nan 8.290 nan 0.000 0.493 367 A N 0.095 122.670 122.820 -0.408 0.000 3.215 367 A HA 0.561 4.883 4.320 0.004 0.000 0.269 367 A C -0.894 176.410 177.584 -0.466 0.000 1.517 367 A CA -0.526 51.118 52.037 -0.655 0.000 1.221 367 A CB -0.711 17.906 19.000 -0.639 0.000 1.160 367 A HN 0.469 nan 8.150 nan 0.000 0.620 368 Y N -0.052 120.126 120.300 -0.204 0.000 2.341 368 Y HA 0.431 4.984 4.550 0.004 0.000 0.340 368 Y C 0.260 176.097 175.900 -0.105 0.000 0.997 368 Y CA -0.418 57.597 58.100 -0.143 0.000 1.149 368 Y CB 1.403 39.760 38.460 -0.172 0.000 1.171 368 Y HN 0.161 nan 8.280 nan 0.000 0.494 369 V N 3.701 123.668 119.914 0.088 0.000 2.483 369 V HA 0.611 4.733 4.120 0.004 0.000 0.295 369 V C 0.202 176.386 176.094 0.151 0.000 1.035 369 V CA -1.278 61.072 62.300 0.083 0.000 0.896 369 V CB 1.428 33.285 31.823 0.058 0.000 0.986 369 V HN 0.919 nan 8.190 nan 0.000 0.447 370 A N 7.106 129.929 122.820 0.006 0.000 2.498 370 A HA 0.441 4.764 4.320 0.004 0.000 0.239 370 A C -2.339 175.107 177.584 -0.230 0.000 1.068 370 A CA -0.862 51.086 52.037 -0.149 0.000 0.766 370 A CB -0.417 18.476 19.000 -0.179 0.000 1.003 370 A HN 0.673 nan 8.150 nan 0.000 0.497 371 P HA 0.117 nan 4.420 nan 0.000 0.260 371 P C -0.424 176.578 177.300 -0.498 0.000 1.185 371 P CA 0.748 63.358 63.100 -0.817 0.000 0.763 371 P CB 0.352 31.146 31.700 -1.510 0.000 0.776 372 T N 2.994 117.455 114.554 -0.154 0.000 2.797 372 T HA 0.458 4.810 4.350 0.004 0.000 0.279 372 T C -0.295 174.446 174.700 0.068 0.000 0.991 372 T CA -0.467 61.578 62.100 -0.092 0.000 0.979 372 T CB 1.021 69.856 68.868 -0.054 0.000 0.943 372 T HN -0.035 nan 8.240 nan 0.000 0.444 373 V N 3.910 123.770 119.914 -0.091 0.000 2.443 373 V HA 0.499 4.621 4.120 0.004 0.000 0.293 373 V C -0.954 175.036 176.094 -0.173 0.000 1.021 373 V CA -0.913 61.373 62.300 -0.024 0.000 0.848 373 V CB 0.941 32.764 31.823 0.001 0.000 0.998 373 V HN 0.779 nan 8.190 nan 0.000 0.424 374 F N 2.624 122.583 119.950 0.015 0.000 2.404 374 F HA 0.701 5.230 4.527 0.004 0.000 0.339 374 F C 0.729 176.523 175.800 -0.009 0.000 1.105 374 F CA 0.127 58.127 58.000 0.001 0.000 1.087 374 F CB 2.097 41.100 39.000 0.005 0.000 1.143 374 F HN 0.508 nan 8.300 nan 0.000 0.491 375 T N -0.115 114.552 114.554 0.188 0.000 2.724 375 T HA 0.306 4.659 4.350 0.004 0.000 0.274 375 T C -0.800 173.957 174.700 0.095 0.000 0.984 375 T CA -0.462 61.702 62.100 0.107 0.000 1.024 375 T CB 0.771 69.676 68.868 0.061 0.000 1.320 375 T HN 0.589 nan 8.240 nan 0.000 0.555 376 D N 0.141 120.574 120.400 0.054 0.000 2.751 376 D HA -0.140 4.502 4.640 0.004 0.000 0.233 376 D C 0.031 176.347 176.300 0.026 0.000 1.149 376 D CA 0.430 54.452 54.000 0.037 0.000 0.682 376 D CB -2.066 38.758 40.800 0.040 0.000 1.068 376 D HN 0.510 nan 8.370 nan 0.000 0.429 377 C N 0.013 119.320 119.300 0.011 0.000 2.500 377 C HA 0.606 5.068 4.460 0.004 0.000 0.367 377 C C 1.266 176.246 174.990 -0.017 0.000 1.283 377 C CA -0.575 58.434 59.018 -0.015 0.000 2.456 377 C CB 0.918 28.634 27.740 -0.039 0.000 2.457 377 C HN 0.190 nan 8.230 nan 0.000 0.632 378 R N 0.422 120.912 120.500 -0.017 0.000 2.795 378 R HA 0.254 4.596 4.340 0.004 0.000 0.275 378 R C -0.121 176.186 176.300 0.010 0.000 0.981 378 R CA -0.726 55.377 56.100 0.005 0.000 0.917 378 R CB 1.272 31.579 30.300 0.012 0.000 1.202 378 R HN 0.621 nan 8.270 nan 0.000 0.469 379 D N 0.922 121.346 120.400 0.040 0.000 2.309 379 D HA -0.147 4.495 4.640 0.004 0.000 0.212 379 D C 0.927 177.254 176.300 0.046 0.000 0.968 379 D CA 1.357 55.393 54.000 0.059 0.000 0.882 379 D CB 0.091 40.948 40.800 0.095 0.000 0.918 379 D HN 0.544 nan 8.370 nan 0.000 0.503 380 D N -0.709 119.710 120.400 0.032 0.000 2.339 380 D HA -0.054 4.588 4.640 0.004 0.000 0.217 380 D C 0.632 176.942 176.300 0.018 0.000 1.050 380 D CA -0.164 53.852 54.000 0.028 0.000 0.856 380 D CB -0.379 40.436 40.800 0.025 0.000 0.922 380 D HN 0.108 nan 8.370 nan 0.000 0.518 381 M N 0.815 120.418 119.600 0.005 0.000 2.239 381 M HA 0.062 4.544 4.480 0.004 0.000 0.348 381 M C 1.244 177.552 176.300 0.013 0.000 1.239 381 M CA 0.044 55.337 55.300 -0.011 0.000 1.114 381 M CB 1.097 33.666 32.600 -0.051 0.000 1.641 381 M HN -0.185 nan 8.290 nan 0.000 0.453 382 T N 3.198 117.768 114.554 0.027 0.000 2.699 382 T HA -0.162 4.190 4.350 0.004 0.000 0.268 382 T C 1.563 176.330 174.700 0.111 0.000 1.036 382 T CA 1.915 64.067 62.100 0.086 0.000 1.147 382 T CB -0.526 68.404 68.868 0.103 0.000 0.862 382 T HN 0.784 nan 8.240 nan 0.000 0.446 383 I N -0.368 120.230 120.570 0.046 0.000 2.567 383 I HA -0.046 4.127 4.170 0.004 0.000 0.257 383 I C 2.077 178.176 176.117 -0.028 0.000 1.184 383 I CA 0.947 62.249 61.300 0.003 0.000 1.451 383 I CB -0.581 37.353 38.000 -0.109 0.000 1.089 383 I HN 0.026 nan 8.210 nan 0.000 0.441 384 V N 1.173 121.079 119.914 -0.014 0.000 2.500 384 V HA -0.003 4.119 4.120 0.004 0.000 0.243 384 V C 2.707 178.830 176.094 0.048 0.000 1.039 384 V CA 1.318 63.616 62.300 -0.003 0.000 1.053 384 V CB -0.636 31.177 31.823 -0.016 0.000 0.695 384 V HN 0.364 nan 8.190 nan 0.000 0.463 385 R N 0.139 120.681 120.500 0.070 0.000 2.093 385 R HA 0.053 4.395 4.340 0.004 0.000 0.224 385 R C 0.600 177.000 176.300 0.166 0.000 1.101 385 R CA 0.638 56.804 56.100 0.110 0.000 0.979 385 R CB 0.085 30.438 30.300 0.089 0.000 0.877 385 R HN 0.546 nan 8.270 nan 0.000 0.441 386 E N 1.040 121.324 120.200 0.140 0.000 2.204 386 E HA 0.088 4.441 4.350 0.004 0.000 0.276 386 E C -0.924 175.685 176.600 0.015 0.000 0.974 386 E CA -0.375 56.124 56.400 0.166 0.000 0.815 386 E CB 1.756 31.606 29.700 0.251 0.000 1.119 386 E HN 0.059 nan 8.360 nan 0.000 0.393 387 E N 3.191 123.428 120.200 0.061 0.000 2.324 387 E HA 0.015 4.367 4.350 0.004 0.000 0.271 387 E C 0.168 176.662 176.600 -0.177 0.000 1.028 387 E CA 0.068 56.429 56.400 -0.066 0.000 0.890 387 E CB 0.537 30.180 29.700 -0.094 0.000 1.004 387 E HN 0.536 nan 8.360 nan 0.000 0.431 388 I N 4.134 124.565 120.570 -0.232 0.000 2.810 388 I HA 0.013 4.185 4.170 0.004 0.000 0.262 388 I C 0.454 176.665 176.117 0.157 0.000 1.131 388 I CA -0.096 60.999 61.300 -0.342 0.000 1.453 388 I CB 0.172 37.954 38.000 -0.364 0.000 1.161 388 I HN 0.686 nan 8.210 nan 0.000 0.444 389 F N 2.039 122.005 119.950 0.027 0.000 3.071 389 F HA -0.170 4.360 4.527 0.004 0.000 0.295 389 F C 0.252 176.251 175.800 0.331 0.000 0.919 389 F CA 0.558 58.666 58.000 0.179 0.000 1.050 389 F CB -1.209 37.934 39.000 0.238 0.000 1.040 389 F HN 0.159 nan 8.300 nan 0.000 0.692 390 G N -0.181 108.705 108.800 0.143 0.000 2.687 390 G HA2 0.646 4.608 3.960 0.004 0.000 0.291 390 G HA3 0.646 4.608 3.960 0.004 0.000 0.291 390 G C -3.218 171.755 174.900 0.121 0.000 1.420 390 G CA -0.728 44.441 45.100 0.116 0.000 0.796 390 G HN -0.097 nan 8.290 nan 0.000 0.485 391 P HA 0.372 nan 4.420 nan 0.000 0.238 391 P C -0.758 176.805 177.300 0.437 0.000 1.794 391 P CA -0.242 63.118 63.100 0.433 0.000 1.088 391 P CB 0.614 32.731 31.700 0.696 0.000 1.923 392 V N 4.464 124.526 119.914 0.247 0.000 2.445 392 V HA 0.296 4.418 4.120 0.004 0.000 0.283 392 V C 0.186 176.335 176.094 0.092 0.000 1.014 392 V CA -0.536 61.894 62.300 0.216 0.000 0.852 392 V CB 1.894 33.840 31.823 0.204 0.000 1.021 392 V HN 0.421 nan 8.190 nan 0.000 0.435 393 M N 3.386 123.037 119.600 0.085 0.000 2.233 393 M HA 0.505 4.988 4.480 0.004 0.000 0.355 393 M C -0.301 176.040 176.300 0.069 0.000 1.191 393 M CA 0.243 55.523 55.300 -0.034 0.000 1.101 393 M CB 1.270 33.806 32.600 -0.105 0.000 1.592 393 M HN 0.573 nan 8.290 nan 0.000 0.461 394 S N 6.283 121.989 115.700 0.010 0.000 2.474 394 S HA 0.528 5.000 4.470 0.004 0.000 0.321 394 S C -0.432 174.138 174.600 -0.050 0.000 1.080 394 S CA -0.662 57.550 58.200 0.019 0.000 1.106 394 S CB 0.495 63.677 63.200 -0.029 0.000 0.984 394 S HN 0.651 nan 8.310 nan 0.000 0.464 395 I N 3.905 124.475 120.570 0.001 0.000 2.365 395 I HA 0.366 4.538 4.170 0.004 0.000 0.291 395 I C -0.848 175.225 176.117 -0.072 0.000 1.004 395 I CA -0.495 60.796 61.300 -0.015 0.000 1.311 395 I CB 0.922 38.975 38.000 0.089 0.000 1.401 395 I HN 0.354 nan 8.210 nan 0.000 0.491 396 L N 6.952 128.069 121.223 -0.177 0.000 2.381 396 L HA 0.484 4.827 4.340 0.004 0.000 0.274 396 L C -0.382 176.474 176.870 -0.023 0.000 0.988 396 L CA -0.677 54.055 54.840 -0.179 0.000 0.824 396 L CB 1.875 43.649 42.059 -0.476 0.000 1.263 396 L HN 0.230 nan 8.230 nan 0.000 0.410 397 V N 2.933 122.867 119.914 0.034 0.000 2.649 397 V HA 0.333 4.455 4.120 0.004 0.000 0.292 397 V C -0.464 175.727 176.094 0.162 0.000 1.055 397 V CA -0.293 62.031 62.300 0.040 0.000 1.023 397 V CB 0.868 32.673 31.823 -0.031 0.000 0.992 397 V HN 0.681 nan 8.190 nan 0.000 0.480 398 Y N 0.695 121.019 120.300 0.041 0.000 2.634 398 Y HA 0.651 5.203 4.550 0.004 0.000 0.340 398 Y C 0.070 175.924 175.900 -0.077 0.000 1.058 398 Y CA -1.239 56.892 58.100 0.052 0.000 1.081 398 Y CB 1.623 40.166 38.460 0.137 0.000 1.295 398 Y HN 0.440 nan 8.280 nan 0.000 0.487 399 D N 0.144 120.604 120.400 0.100 0.000 2.482 399 D HA 0.080 4.723 4.640 0.004 0.000 0.251 399 D C -0.855 175.640 176.300 0.325 0.000 1.073 399 D CA 0.923 54.921 54.000 -0.004 0.000 0.892 399 D CB 0.657 41.468 40.800 0.019 0.000 1.202 399 D HN 0.798 nan 8.370 nan 0.000 0.496 400 D N -0.905 119.759 120.400 0.440 0.000 2.661 400 D HA 0.107 4.749 4.640 0.004 0.000 0.228 400 D C 0.735 177.242 176.300 0.344 0.000 1.183 400 D CA -0.715 53.515 54.000 0.383 0.000 0.844 400 D CB 2.048 42.973 40.800 0.209 0.000 1.555 400 D HN -0.234 nan 8.370 nan 0.000 0.453 401 E N 0.377 120.750 120.200 0.289 0.000 2.058 401 E HA -0.289 4.063 4.350 0.004 0.000 0.194 401 E C 0.562 177.201 176.600 0.065 0.000 0.997 401 E CA 1.615 58.149 56.400 0.223 0.000 0.801 401 E CB 0.021 29.845 29.700 0.207 0.000 0.746 401 E HN 0.511 nan 8.360 nan 0.000 0.450 402 D N 0.302 120.737 120.400 0.058 0.000 2.178 402 D HA -0.171 4.471 4.640 0.004 0.000 0.201 402 D C 1.768 178.058 176.300 -0.015 0.000 0.980 402 D CA 0.884 54.894 54.000 0.017 0.000 0.842 402 D CB -0.247 40.569 40.800 0.027 0.000 0.948 402 D HN 0.382 nan 8.370 nan 0.000 0.472 403 E N 0.624 120.829 120.200 0.009 0.000 2.047 403 E HA -0.154 4.198 4.350 0.004 0.000 0.191 403 E C 1.985 178.506 176.600 -0.131 0.000 0.987 403 E CA 0.994 57.392 56.400 -0.004 0.000 0.799 403 E CB 0.027 29.778 29.700 0.085 0.000 0.752 403 E HN 0.133 nan 8.360 nan 0.000 0.449 404 A N 1.227 123.880 122.820 -0.277 0.000 1.908 404 A HA -0.174 4.149 4.320 0.004 0.000 0.218 404 A C 2.195 179.402 177.584 -0.628 0.000 1.181 404 A CA 1.443 53.071 52.037 -0.682 0.000 0.627 404 A CB -0.622 17.673 19.000 -1.176 0.000 0.818 404 A HN 0.336 nan 8.150 nan 0.000 0.445 405 I N -1.255 119.113 120.570 -0.336 0.000 2.202 405 I HA -0.224 3.948 4.170 0.004 0.000 0.242 405 I C 2.686 178.697 176.117 -0.177 0.000 1.091 405 I CA 1.560 62.726 61.300 -0.223 0.000 1.368 405 I CB -0.329 37.617 38.000 -0.090 0.000 1.058 405 I HN 0.370 nan 8.210 nan 0.000 0.410 406 R N 1.131 121.556 120.500 -0.126 0.000 2.096 406 R HA -0.194 4.148 4.340 0.004 0.000 0.240 406 R C 2.483 178.736 176.300 -0.078 0.000 1.139 406 R CA 1.632 57.689 56.100 -0.072 0.000 0.952 406 R CB -0.109 30.169 30.300 -0.037 0.000 0.854 406 R HN 0.287 nan 8.270 nan 0.000 0.436 407 R N -0.214 120.203 120.500 -0.139 0.000 2.075 407 R HA -0.041 4.301 4.340 0.004 0.000 0.232 407 R C 2.378 178.626 176.300 -0.087 0.000 1.126 407 R CA 1.139 57.191 56.100 -0.079 0.000 0.963 407 R CB -0.455 29.815 30.300 -0.049 0.000 0.858 407 R HN 0.280 nan 8.270 nan 0.000 0.435 408 A N 2.093 124.688 122.820 -0.373 0.000 1.917 408 A HA -0.210 4.112 4.320 0.004 0.000 0.219 408 A C 1.734 179.308 177.584 -0.018 0.000 1.182 408 A CA 1.745 53.659 52.037 -0.205 0.000 0.633 408 A CB -0.462 18.330 19.000 -0.347 0.000 0.819 408 A HN 0.273 nan 8.150 nan 0.000 0.448 409 N N 0.098 118.776 118.700 -0.037 0.000 2.494 409 N HA -0.043 4.700 4.740 0.004 0.000 0.182 409 N C -0.072 175.463 175.510 0.041 0.000 1.076 409 N CA 0.607 53.665 53.050 0.013 0.000 0.908 409 N CB -0.240 38.248 38.487 0.001 0.000 0.967 409 N HN 0.394 nan 8.380 nan 0.000 0.449 410 D N 0.876 121.303 120.400 0.044 0.000 2.545 410 D HA 0.098 4.740 4.640 0.004 0.000 0.227 410 D C -0.666 175.680 176.300 0.077 0.000 1.150 410 D CA 0.325 54.358 54.000 0.056 0.000 1.046 410 D CB -0.232 40.602 40.800 0.057 0.000 1.098 410 D HN -0.050 nan 8.370 nan 0.000 0.502 411 T N 0.758 115.354 114.554 0.069 0.000 2.893 411 T HA 0.158 4.510 4.350 0.004 0.000 0.337 411 T C 0.256 174.971 174.700 0.025 0.000 1.587 411 T CA -0.563 61.580 62.100 0.072 0.000 1.066 411 T CB 0.944 69.911 68.868 0.165 0.000 1.414 411 T HN -0.014 nan 8.240 nan 0.000 0.488 412 E N 1.042 121.194 120.200 -0.081 0.000 2.435 412 E HA 0.192 4.544 4.350 0.004 0.000 0.195 412 E C -0.310 176.226 176.600 -0.106 0.000 1.029 412 E CA 0.484 56.805 56.400 -0.132 0.000 0.865 412 E CB -0.010 29.540 29.700 -0.250 0.000 0.833 412 E HN 0.488 nan 8.360 nan 0.000 0.510 413 Y N -0.045 120.294 120.300 0.066 0.000 2.298 413 Y HA 0.526 5.078 4.550 0.004 0.000 0.329 413 Y C 1.426 177.374 175.900 0.080 0.000 1.293 413 Y CA -0.357 57.787 58.100 0.073 0.000 1.388 413 Y CB 1.216 39.721 38.460 0.075 0.000 1.309 413 Y HN -0.074 nan 8.280 nan 0.000 0.544 414 G N 1.054 110.023 108.800 0.282 0.000 5.312 414 G HA2 0.163 4.125 3.960 0.004 0.000 0.204 414 G HA3 0.163 4.125 3.960 0.004 0.000 0.204 414 G C -0.129 174.817 174.900 0.077 0.000 1.097 414 G CA -0.276 44.919 45.100 0.159 0.000 0.621 414 G HN 0.544 nan 8.290 nan 0.000 0.290 415 L N 0.798 122.062 121.223 0.069 0.000 2.013 415 L HA 0.785 5.127 4.340 0.004 0.000 0.204 415 L C 1.303 178.119 176.870 -0.090 0.000 1.081 415 L CA 2.251 57.100 54.840 0.016 0.000 0.751 415 L CB -0.191 41.891 42.059 0.039 0.000 0.901 415 L HN 0.420 nan 8.230 nan 0.000 0.440 416 A N -1.797 120.990 122.820 -0.055 0.000 2.437 416 A HA 0.918 5.241 4.320 0.004 0.000 0.292 416 A C -1.180 176.373 177.584 -0.051 0.000 1.173 416 A CA -0.053 51.878 52.037 -0.178 0.000 0.785 416 A CB 1.295 20.208 19.000 -0.145 0.000 1.351 416 A HN 0.588 nan 8.150 nan 0.000 0.431 417 A N -1.296 121.436 122.820 -0.145 0.000 2.586 417 A HA 0.889 5.212 4.320 0.004 0.000 0.291 417 A C -0.375 177.229 177.584 0.034 0.000 1.062 417 A CA 0.010 52.093 52.037 0.078 0.000 0.666 417 A CB 0.916 19.918 19.000 0.003 0.000 1.281 417 A HN 2.532 nan 8.150 nan 0.000 0.421 418 G N -1.217 107.768 108.800 0.308 0.000 2.673 418 G HA2 0.776 4.739 3.960 0.004 0.000 0.292 418 G HA3 0.776 4.739 3.960 0.004 0.000 0.292 418 G C -1.110 173.963 174.900 0.289 0.000 1.450 418 G CA 0.237 45.545 45.100 0.346 0.000 0.837 418 G HN 2.177 nan 8.290 nan 0.000 0.505 419 V N -2.114 117.939 119.914 0.233 0.000 2.925 419 V HA 0.899 5.021 4.120 0.004 0.000 0.311 419 V C -1.000 175.213 176.094 0.198 0.000 1.104 419 V CA -1.093 61.326 62.300 0.198 0.000 0.954 419 V CB 1.719 33.716 31.823 0.291 0.000 1.022 419 V HN 0.921 nan 8.190 nan 0.000 0.427 420 V N 2.798 122.824 119.914 0.187 0.000 2.409 420 V HA 0.833 4.955 4.120 0.004 0.000 0.290 420 V C -0.025 176.203 176.094 0.223 0.000 1.017 420 V CA 0.196 62.591 62.300 0.159 0.000 0.841 420 V CB 1.042 32.926 31.823 0.101 0.000 1.003 420 V HN 1.272 nan 8.190 nan 0.000 0.426 421 T N 2.837 117.490 114.554 0.166 0.000 2.885 421 T HA 0.313 4.666 4.350 0.004 0.000 0.322 421 T C 0.097 174.818 174.700 0.036 0.000 1.387 421 T CA -0.329 61.844 62.100 0.122 0.000 1.041 421 T CB 2.339 71.258 68.868 0.085 0.000 1.287 421 T HN 0.647 nan 8.240 nan 0.000 0.491 422 Q N 0.819 120.628 119.800 0.016 0.000 2.398 422 Q HA 0.120 4.462 4.340 0.004 0.000 0.204 422 Q C -0.224 175.760 176.000 -0.027 0.000 0.932 422 Q CA 0.188 55.990 55.803 -0.001 0.000 0.916 422 Q CB 0.232 28.974 28.738 0.007 0.000 1.024 422 Q HN 0.605 nan 8.270 nan 0.000 0.504 423 D N 0.371 120.740 120.400 -0.053 0.000 2.312 423 D HA 0.025 4.668 4.640 0.004 0.000 0.252 423 D C 0.666 176.919 176.300 -0.079 0.000 1.150 423 D CA -0.230 53.728 54.000 -0.071 0.000 0.870 423 D CB 1.095 41.833 40.800 -0.103 0.000 1.153 423 D HN -0.087 nan 8.370 nan 0.000 0.457 424 L N 5.144 126.342 121.223 -0.042 0.000 1.989 424 L HA -0.083 4.259 4.340 0.004 0.000 0.211 424 L C 1.975 178.847 176.870 0.004 0.000 1.071 424 L CA 2.481 57.319 54.840 -0.003 0.000 0.749 424 L CB -0.768 41.311 42.059 0.033 0.000 0.890 424 L HN 0.588 nan 8.230 nan 0.000 0.431 425 A N -0.480 122.324 122.820 -0.026 0.000 1.877 425 A HA -0.239 4.083 4.320 0.004 0.000 0.216 425 A C 2.571 180.095 177.584 -0.101 0.000 1.186 425 A CA 1.852 53.867 52.037 -0.038 0.000 0.620 425 A CB -0.722 18.248 19.000 -0.051 0.000 0.822 425 A HN 0.531 nan 8.150 nan 0.000 0.443 426 R N -0.443 119.954 120.500 -0.171 0.000 2.092 426 R HA -0.070 4.272 4.340 0.004 0.000 0.231 426 R C 2.336 178.470 176.300 -0.277 0.000 1.119 426 R CA 1.300 57.229 56.100 -0.285 0.000 0.970 426 R CB -0.428 29.610 30.300 -0.437 0.000 0.864 426 R HN 0.443 nan 8.270 nan 0.000 0.440 427 A N 1.159 123.836 122.820 -0.239 0.000 1.859 427 A HA -0.236 4.086 4.320 0.004 0.000 0.217 427 A C 1.969 179.363 177.584 -0.318 0.000 1.198 427 A CA 1.766 53.647 52.037 -0.259 0.000 0.629 427 A CB -0.970 17.830 19.000 -0.334 0.000 0.830 427 A HN 0.462 nan 8.150 nan 0.000 0.446 428 H N -1.105 117.841 119.070 -0.207 0.000 2.307 428 H HA -0.007 4.551 4.556 0.004 0.000 0.303 428 H C 2.380 177.341 175.328 -0.612 0.000 1.073 428 H CA 1.611 57.410 56.048 -0.416 0.000 1.338 428 H CB -0.321 29.218 29.762 -0.371 0.000 1.389 428 H HN 0.453 nan 8.280 nan 0.000 0.503 429 R N 0.413 120.758 120.500 -0.260 0.000 2.105 429 R HA -0.086 4.257 4.340 0.004 0.000 0.239 429 R C 2.474 178.706 176.300 -0.113 0.000 1.135 429 R CA 1.095 57.079 56.100 -0.193 0.000 0.967 429 R CB -0.120 30.119 30.300 -0.102 0.000 0.861 429 R HN 0.243 nan 8.270 nan 0.000 0.442 430 A N 0.657 123.414 122.820 -0.106 0.000 1.873 430 A HA -0.148 4.174 4.320 0.004 0.000 0.215 430 A C 2.051 179.647 177.584 0.021 0.000 1.186 430 A CA 1.082 53.117 52.037 -0.004 0.000 0.616 430 A CB -0.352 18.706 19.000 0.096 0.000 0.823 430 A HN 0.245 nan 8.150 nan 0.000 0.442 431 I N -0.543 120.021 120.570 -0.011 0.000 2.315 431 I HA -0.228 3.944 4.170 0.004 0.000 0.248 431 I C 2.188 178.373 176.117 0.114 0.000 1.117 431 I CA 1.396 62.712 61.300 0.028 0.000 1.404 431 I CB -0.306 37.702 38.000 0.012 0.000 1.071 431 I HN 0.491 nan 8.210 nan 0.000 0.419 432 H N -0.593 118.486 119.070 0.015 0.000 2.457 432 H HA -0.105 4.454 4.556 0.004 0.000 0.297 432 H C 1.862 177.195 175.328 0.008 0.000 1.092 432 H CA 0.726 56.782 56.048 0.014 0.000 1.309 432 H CB 0.019 29.796 29.762 0.025 0.000 1.382 432 H HN 0.275 nan 8.280 nan 0.000 0.535 433 R N 0.329 120.898 120.500 0.114 0.000 2.300 433 R HA 0.153 4.495 4.340 0.004 0.000 0.199 433 R C -0.068 176.250 176.300 0.029 0.000 0.920 433 R CA -0.134 56.004 56.100 0.063 0.000 1.046 433 R CB 0.481 30.805 30.300 0.041 0.000 0.984 433 R HN 0.128 nan 8.270 nan 0.000 0.493 434 L N 1.844 123.072 121.223 0.009 0.000 2.313 434 L HA 0.107 4.449 4.340 0.004 0.000 0.282 434 L C 0.128 176.948 176.870 -0.084 0.000 1.092 434 L CA 0.087 54.906 54.840 -0.035 0.000 0.831 434 L CB 1.096 43.129 42.059 -0.043 0.000 1.159 434 L HN 0.008 nan 8.230 nan 0.000 0.442 435 E N 3.609 123.775 120.200 -0.056 0.000 2.261 435 E HA 0.353 4.705 4.350 0.004 0.000 0.308 435 E C -0.306 176.109 176.600 -0.309 0.000 1.400 435 E CA -0.289 56.087 56.400 -0.040 0.000 1.542 435 E CB 0.424 30.207 29.700 0.138 0.000 1.369 435 E HN 0.617 nan 8.360 nan 0.000 0.493 436 A N -0.328 122.065 122.820 -0.712 0.000 2.515 436 A HA 0.641 4.964 4.320 0.004 0.000 0.296 436 A C 0.968 177.906 177.584 -1.078 0.000 1.094 436 A CA -0.534 51.049 52.037 -0.757 0.000 0.718 436 A CB 1.471 20.267 19.000 -0.338 0.000 1.307 436 A HN 0.388 nan 8.150 nan 0.000 0.408 437 G N -0.222 108.189 108.800 -0.648 0.000 2.623 437 G HA2 0.326 4.288 3.960 0.004 0.000 0.214 437 G HA3 0.326 4.288 3.960 0.004 0.000 0.214 437 G C 0.230 174.935 174.900 -0.325 0.000 1.138 437 G CA 0.537 45.446 45.100 -0.317 0.000 0.794 437 G HN 0.546 nan 8.290 nan 0.000 0.535 438 I N 0.987 121.293 120.570 -0.440 0.000 2.437 438 I HA 0.331 4.503 4.170 0.004 0.000 0.279 438 I C -0.918 174.660 176.117 -0.897 0.000 1.028 438 I CA -0.678 60.219 61.300 -0.672 0.000 1.142 438 I CB 1.867 39.435 38.000 -0.719 0.000 1.266 438 I HN -0.166 nan 8.210 nan 0.000 0.461 439 C N 5.882 124.692 119.300 -0.816 0.000 2.408 439 C HA 0.559 5.021 4.460 0.004 0.000 0.321 439 C C -0.759 173.866 174.990 -0.608 0.000 1.245 439 C CA -0.530 58.125 59.018 -0.605 0.000 1.523 439 C CB 1.516 29.069 27.740 -0.312 0.000 2.178 439 C HN 0.670 nan 8.230 nan 0.000 0.488 440 W N 3.487 124.632 121.300 -0.259 0.000 2.600 440 W HA 0.565 5.227 4.660 0.004 0.000 0.325 440 W C -0.690 175.780 176.519 -0.082 0.000 1.034 440 W CA -1.010 56.211 57.345 -0.206 0.000 1.226 440 W CB 1.155 30.413 29.460 -0.337 0.000 1.379 440 W HN 0.441 nan 8.180 nan 0.000 0.466 441 I N 5.246 125.911 120.570 0.158 0.000 2.307 441 I HA 0.080 4.252 4.170 0.004 0.000 0.289 441 I C 0.194 176.374 176.117 0.104 0.000 1.021 441 I CA -0.273 61.081 61.300 0.090 0.000 1.224 441 I CB 0.525 38.514 38.000 -0.019 0.000 1.376 441 I HN 0.415 nan 8.210 nan 0.000 0.470 442 N N 2.429 121.201 118.700 0.120 0.000 2.741 442 N HA -0.177 4.565 4.740 0.004 0.000 0.250 442 N C -0.189 175.372 175.510 0.085 0.000 1.115 442 N CA 1.287 54.395 53.050 0.096 0.000 0.724 442 N CB -0.911 37.611 38.487 0.059 0.000 1.090 442 N HN 0.766 nan 8.380 nan 0.000 0.558 443 T N -1.964 112.654 114.554 0.107 0.000 2.693 443 T HA 0.584 4.936 4.350 0.004 0.000 0.304 443 T C -2.231 172.456 174.700 -0.022 0.000 1.471 443 T CA -0.532 61.574 62.100 0.011 0.000 0.993 443 T CB 1.487 70.331 68.868 -0.041 0.000 1.554 443 T HN 0.249 nan 8.240 nan 0.000 0.496 444 W N 0.217 121.191 121.300 -0.542 0.000 3.479 444 W HA 0.443 5.106 4.660 0.004 0.000 0.304 444 W C 0.622 176.397 176.519 -1.240 0.000 1.243 444 W CA 0.256 56.999 57.345 -1.003 0.000 1.202 444 W CB 1.148 30.299 29.460 -0.516 0.000 1.346 444 W HN 1.366 nan 8.180 nan 0.000 0.539 445 G N 2.383 109.857 108.800 -2.211 0.000 2.299 445 G HA2 -0.309 3.653 3.960 0.004 0.000 0.237 445 G HA3 -0.309 3.653 3.960 0.004 0.000 0.237 445 G C 0.240 174.872 174.900 -0.446 0.000 1.027 445 G CA 0.469 44.972 45.100 -0.994 0.000 0.619 445 G HN 0.528 nan 8.290 nan 0.000 0.513 446 E N 0.938 120.908 120.200 -0.383 0.000 2.414 446 E HA 0.472 4.824 4.350 0.004 0.000 0.263 446 E C -0.224 176.496 176.600 0.201 0.000 1.000 446 E CA 0.586 56.953 56.400 -0.055 0.000 0.914 446 E CB 0.394 30.061 29.700 -0.055 0.000 0.948 446 E HN 0.153 nan 8.360 nan 0.000 0.444 447 S N 5.269 121.064 115.700 0.159 0.000 2.204 447 S HA 0.307 4.779 4.470 0.004 0.000 0.147 447 S C -2.562 172.052 174.600 0.024 0.000 1.711 447 S CA -1.344 56.957 58.200 0.168 0.000 1.274 447 S CB 0.435 63.822 63.200 0.311 0.000 1.257 447 S HN 0.406 nan 8.310 nan 0.000 0.404 448 P HA 0.147 nan 4.420 nan 0.000 0.266 448 P C 0.837 177.952 177.300 -0.308 0.000 1.193 448 P CA 0.013 63.029 63.100 -0.140 0.000 0.770 448 P CB 0.543 32.165 31.700 -0.130 0.000 0.836 449 A N 3.017 125.592 122.820 -0.408 0.000 1.986 449 A HA -0.252 4.070 4.320 0.004 0.000 0.220 449 A C 1.703 178.702 177.584 -0.975 0.000 1.171 449 A CA 1.827 53.447 52.037 -0.694 0.000 0.640 449 A CB -0.949 17.636 19.000 -0.692 0.000 0.811 449 A HN 0.630 nan 8.150 nan 0.000 0.451 450 E N -1.275 118.436 120.200 -0.816 0.000 2.427 450 E HA 0.076 4.428 4.350 0.004 0.000 0.196 450 E C 0.833 177.261 176.600 -0.288 0.000 1.028 450 E CA 0.280 56.318 56.400 -0.603 0.000 0.864 450 E CB -0.085 29.415 29.700 -0.332 0.000 0.813 450 E HN 0.700 nan 8.360 nan 0.000 0.514 451 M N 2.195 121.634 119.600 -0.268 0.000 2.063 451 M HA 0.252 4.735 4.480 0.004 0.000 0.348 451 M C -2.528 173.675 176.300 -0.161 0.000 1.180 451 M CA -2.618 52.579 55.300 -0.172 0.000 1.059 451 M CB 0.936 33.447 32.600 -0.148 0.000 1.544 451 M HN -0.255 nan 8.290 nan 0.000 0.447 452 P HA 0.114 nan 4.420 nan 0.000 0.267 452 P C -1.281 175.969 177.300 -0.084 0.000 1.205 452 P CA -0.163 62.900 63.100 -0.063 0.000 0.765 452 P CB 0.379 32.070 31.700 -0.016 0.000 0.828 453 V N 0.616 120.491 119.914 -0.065 0.000 2.760 453 V HA 1.025 5.147 4.120 0.004 0.000 0.309 453 V C -0.056 176.037 176.094 -0.001 0.000 1.077 453 V CA -0.420 61.845 62.300 -0.059 0.000 0.910 453 V CB 1.668 33.464 31.823 -0.044 0.000 1.008 453 V HN 0.875 nan 8.190 nan 0.000 0.424 454 G N 1.617 110.413 108.800 -0.005 0.000 2.320 454 G HA2 0.646 4.608 3.960 0.004 0.000 0.296 454 G HA3 0.646 4.608 3.960 0.004 0.000 0.296 454 G C -0.499 174.432 174.900 0.052 0.000 1.306 454 G CA -0.144 44.978 45.100 0.037 0.000 0.836 454 G HN 1.413 nan 8.290 nan 0.000 0.517 455 G N -1.279 107.576 108.800 0.092 0.000 2.389 455 G HA2 0.580 4.542 3.960 0.004 0.000 0.328 455 G HA3 0.580 4.542 3.960 0.004 0.000 0.328 455 G C -0.963 174.090 174.900 0.256 0.000 1.133 455 G CA -0.420 44.764 45.100 0.141 0.000 0.891 455 G HN 0.421 nan 8.290 nan 0.000 0.485 456 Y N 0.950 121.256 120.300 0.010 0.000 2.298 456 Y HA 0.323 4.876 4.550 0.004 0.000 0.329 456 Y C 1.517 177.438 175.900 0.035 0.000 1.293 456 Y CA -0.648 57.459 58.100 0.012 0.000 1.388 456 Y CB 0.891 39.355 38.460 0.008 0.000 1.309 456 Y HN 0.825 nan 8.280 nan 0.000 0.544 457 K N -0.532 119.948 120.400 0.133 0.000 1.941 457 K HA -0.330 3.992 4.320 0.004 0.000 0.187 457 K C 0.696 177.342 176.600 0.076 0.000 1.490 457 K CA 1.638 57.977 56.287 0.086 0.000 0.446 457 K CB -0.909 31.659 32.500 0.114 0.000 0.688 457 K HN 0.751 nan 8.250 nan 0.000 0.803 458 Q N 0.637 120.480 119.800 0.073 0.000 2.373 458 Q HA 0.091 4.433 4.340 0.004 0.000 0.206 458 Q C 0.782 176.887 176.000 0.174 0.000 0.942 458 Q CA 0.407 56.254 55.803 0.072 0.000 0.953 458 Q CB 0.321 29.047 28.738 -0.020 0.000 1.022 458 Q HN 0.302 nan 8.270 nan 0.000 0.502 459 S N -0.114 115.713 115.700 0.212 0.000 2.556 459 S HA 0.270 4.742 4.470 0.004 0.000 0.216 459 S C 0.470 175.158 174.600 0.147 0.000 0.970 459 S CA 0.298 58.630 58.200 0.221 0.000 0.912 459 S CB 0.821 64.151 63.200 0.216 0.000 0.790 459 S HN 0.538 nan 8.310 nan 0.000 0.504 460 G N 0.060 108.933 108.800 0.122 0.000 2.325 460 G HA2 0.422 4.385 3.960 0.004 0.000 0.297 460 G HA3 0.422 4.385 3.960 0.004 0.000 0.297 460 G C -2.091 172.845 174.900 0.060 0.000 1.448 460 G CA -0.603 44.554 45.100 0.096 0.000 0.838 460 G HN 0.034 nan 8.290 nan 0.000 0.579 461 V N 0.827 120.767 119.914 0.043 0.000 2.577 461 V HA 0.857 4.979 4.120 0.004 0.000 0.303 461 V C 0.937 177.022 176.094 -0.015 0.000 1.042 461 V CA 0.879 63.182 62.300 0.005 0.000 0.872 461 V CB 0.825 32.649 31.823 0.002 0.000 0.998 461 V HN 2.708 nan 8.190 nan 0.000 0.423 462 G N 4.926 113.690 108.800 -0.059 0.000 2.796 462 G HA2 -0.085 3.877 3.960 0.004 0.000 0.226 462 G HA3 -0.085 3.877 3.960 0.004 0.000 0.226 462 G C -0.820 174.045 174.900 -0.058 0.000 1.381 462 G CA -0.533 44.499 45.100 -0.113 0.000 0.867 462 G HN 0.696 nan 8.290 nan 0.000 0.552 463 R N 0.054 120.512 120.500 -0.070 0.000 2.808 463 R HA 0.622 4.964 4.340 0.004 0.000 0.272 463 R C -0.337 175.993 176.300 0.049 0.000 0.995 463 R CA -0.769 55.326 56.100 -0.009 0.000 0.917 463 R CB 1.589 31.874 30.300 -0.027 0.000 1.217 463 R HN 0.766 nan 8.270 nan 0.000 0.471 464 E N 1.460 121.705 120.200 0.076 0.000 2.221 464 E HA 0.404 4.757 4.350 0.004 0.000 0.268 464 E C -0.659 175.955 176.600 0.023 0.000 0.933 464 E CA -0.891 55.574 56.400 0.108 0.000 0.809 464 E CB 1.355 31.159 29.700 0.174 0.000 1.190 464 E HN 0.415 nan 8.360 nan 0.000 0.406 465 N N -0.038 118.703 118.700 0.068 0.000 5.971 465 N HA -0.163 4.579 4.740 0.004 0.000 0.390 465 N C -0.070 175.494 175.510 0.091 0.000 1.130 465 N CA 1.239 54.279 53.050 -0.017 0.000 2.259 465 N CB -0.805 37.439 38.487 -0.405 0.000 0.654 465 N HN 0.956 nan 8.380 nan 0.000 0.614 466 G N -1.330 107.479 108.800 0.015 0.000 2.860 466 G HA2 -0.188 3.775 3.960 0.004 0.000 0.553 466 G HA3 -0.188 3.775 3.960 0.004 0.000 0.553 466 G C 1.040 176.163 174.900 0.372 0.000 1.439 466 G CA -0.019 45.159 45.100 0.129 0.000 0.879 466 G HN 0.655 nan 8.290 nan 0.000 0.545 467 L N -0.161 121.242 121.223 0.300 0.000 2.013 467 L HA -0.158 4.184 4.340 0.004 0.000 0.212 467 L C 3.334 180.343 176.870 0.231 0.000 1.073 467 L CA 2.597 57.583 54.840 0.243 0.000 0.753 467 L CB -0.876 41.270 42.059 0.145 0.000 0.890 467 L HN 0.900 nan 8.230 nan 0.000 0.432 468 T N -1.230 113.446 114.554 0.203 0.000 2.737 468 T HA -0.213 4.139 4.350 0.004 0.000 0.269 468 T C 1.772 176.678 174.700 0.344 0.000 1.040 468 T CA 2.240 64.481 62.100 0.235 0.000 1.142 468 T CB -0.153 68.831 68.868 0.195 0.000 0.861 468 T HN 0.376 nan 8.240 nan 0.000 0.456 469 T N 1.808 116.543 114.554 0.302 0.000 2.857 469 T HA 0.040 4.392 4.350 0.004 0.000 0.266 469 T C 1.767 176.628 174.700 0.268 0.000 1.048 469 T CA 1.082 63.359 62.100 0.295 0.000 1.139 469 T CB -0.407 68.626 68.868 0.275 0.000 0.874 469 T HN 0.239 nan 8.240 nan 0.000 0.455 470 L N 1.684 123.013 121.223 0.176 0.000 2.012 470 L HA -0.018 4.325 4.340 0.004 0.000 0.210 470 L C 2.638 179.566 176.870 0.097 0.000 1.073 470 L CA 1.927 56.784 54.840 0.028 0.000 0.748 470 L CB -0.953 41.132 42.059 0.043 0.000 0.891 470 L HN 0.234 nan 8.230 nan 0.000 0.431 471 A N -1.341 121.529 122.820 0.084 0.000 1.948 471 A HA -0.287 4.036 4.320 0.004 0.000 0.220 471 A C 1.928 179.433 177.584 -0.132 0.000 1.177 471 A CA 2.043 54.054 52.037 -0.043 0.000 0.636 471 A CB -1.135 17.797 19.000 -0.113 0.000 0.815 471 A HN 0.717 nan 8.150 nan 0.000 0.449 472 H N -3.349 115.745 119.070 0.040 0.000 2.543 472 H HA 0.137 4.695 4.556 0.004 0.000 0.269 472 H C 0.145 175.394 175.328 -0.132 0.000 1.005 472 H CA 0.611 56.635 56.048 -0.039 0.000 1.146 472 H CB -0.101 29.622 29.762 -0.065 0.000 1.353 472 H HN 0.627 nan 8.280 nan 0.000 0.595 473 Y N 0.205 120.536 120.300 0.053 0.000 2.607 473 Y HA 0.141 4.693 4.550 0.003 0.000 0.266 473 Y C 0.679 176.586 175.900 0.011 0.000 1.178 473 Y CA -0.358 57.760 58.100 0.031 0.000 1.226 473 Y CB 0.522 38.984 38.460 0.004 0.000 1.144 473 Y HN 0.067 nan 8.280 nan 0.000 0.528 474 T N -1.662 112.944 114.554 0.085 0.000 2.916 474 T HA 0.760 5.112 4.350 0.004 0.000 0.292 474 T C -0.550 174.153 174.700 0.005 0.000 1.064 474 T CA -1.182 60.944 62.100 0.043 0.000 1.011 474 T CB 2.263 71.141 68.868 0.018 0.000 1.152 474 T HN 0.210 nan 8.240 nan 0.000 0.510 475 R N 0.940 121.444 120.500 0.006 0.000 2.637 475 R HA 0.723 5.065 4.340 0.004 0.000 0.291 475 R C -0.713 175.579 176.300 -0.013 0.000 0.963 475 R CA -0.964 55.132 56.100 -0.007 0.000 0.901 475 R CB 1.134 31.437 30.300 0.005 0.000 1.160 475 R HN 0.584 nan 8.270 nan 0.000 0.457 476 I N 2.367 122.923 120.570 -0.024 0.000 2.416 476 I HA 0.171 4.343 4.170 0.004 0.000 0.288 476 I C 0.188 176.289 176.117 -0.027 0.000 1.051 476 I CA -0.172 61.112 61.300 -0.026 0.000 1.375 476 I CB 0.936 38.917 38.000 -0.033 0.000 1.407 476 I HN 0.524 nan 8.210 nan 0.000 0.516 477 K N 5.347 125.729 120.400 -0.029 0.000 2.323 477 K HA 0.453 4.776 4.320 0.004 0.000 0.259 477 K C -1.020 175.530 176.600 -0.084 0.000 0.947 477 K CA -0.407 55.849 56.287 -0.051 0.000 0.819 477 K CB 1.468 33.941 32.500 -0.045 0.000 1.109 477 K HN 0.537 nan 8.250 nan 0.000 0.429 478 S N 2.488 118.124 115.700 -0.108 0.000 2.457 478 S HA 0.351 4.823 4.470 0.004 0.000 0.289 478 S C -0.826 173.628 174.600 -0.244 0.000 1.163 478 S CA -0.684 57.426 58.200 -0.149 0.000 1.078 478 S CB 1.325 64.463 63.200 -0.103 0.000 0.987 478 S HN 0.399 nan 8.310 nan 0.000 0.482 479 V N 4.499 124.162 119.914 -0.419 0.000 2.378 479 V HA 0.418 4.540 4.120 0.004 0.000 0.288 479 V C -0.054 175.723 176.094 -0.528 0.000 1.016 479 V CA -0.684 61.267 62.300 -0.581 0.000 0.840 479 V CB 1.465 32.632 31.823 -1.094 0.000 0.994 479 V HN 0.806 nan 8.190 nan 0.000 0.431 480 Q N 3.769 123.360 119.800 -0.350 0.000 2.314 480 Q HA 0.564 4.907 4.340 0.004 0.000 0.259 480 Q C -1.408 174.418 176.000 -0.289 0.000 0.951 480 Q CA -0.498 55.131 55.803 -0.290 0.000 0.909 480 Q CB 1.957 30.598 28.738 -0.162 0.000 1.236 480 Q HN 0.625 nan 8.270 nan 0.000 0.444 481 V N 3.882 123.566 119.914 -0.383 0.000 2.333 481 V HA 0.190 4.312 4.120 0.004 0.000 0.274 481 V C -0.190 175.830 176.094 -0.123 0.000 1.028 481 V CA -0.730 61.398 62.300 -0.287 0.000 0.851 481 V CB 1.035 32.577 31.823 -0.468 0.000 1.000 481 V HN 0.727 nan 8.190 nan 0.000 0.456 482 E N 4.185 124.357 120.200 -0.047 0.000 2.223 482 E HA 0.359 4.711 4.350 0.004 0.000 0.282 482 E C 0.171 176.803 176.600 0.052 0.000 1.046 482 E CA 0.022 56.437 56.400 0.025 0.000 0.857 482 E CB 0.997 30.727 29.700 0.050 0.000 1.055 482 E HN 0.628 nan 8.360 nan 0.000 0.409 483 L N 3.071 124.344 121.223 0.084 0.000 2.766 483 L HA 0.460 4.803 4.340 0.004 0.000 0.242 483 L C 1.053 177.968 176.870 0.075 0.000 1.136 483 L CA -0.046 54.849 54.840 0.092 0.000 0.933 483 L CB 0.567 42.704 42.059 0.131 0.000 1.241 483 L HN 0.545 nan 8.230 nan 0.000 0.522 484 G N -1.220 107.624 108.800 0.073 0.000 3.135 484 G HA2 0.306 4.268 3.960 0.004 0.000 0.159 484 G HA3 0.306 4.268 3.960 0.004 0.000 0.159 484 G C -1.149 173.795 174.900 0.073 0.000 1.244 484 G CA -0.381 44.757 45.100 0.063 0.000 0.965 484 G HN -0.128 nan 8.290 nan 0.000 0.599 485 D N -0.743 119.695 120.400 0.064 0.000 2.344 485 D HA 0.380 5.023 4.640 0.004 0.000 0.244 485 D C -1.190 175.181 176.300 0.119 0.000 1.134 485 D CA 0.324 54.368 54.000 0.074 0.000 0.930 485 D CB 1.415 42.236 40.800 0.035 0.000 1.175 485 D HN 0.177 nan 8.370 nan 0.000 0.437 486 Y N 0.107 120.411 120.300 0.006 0.000 2.341 486 Y HA 0.499 5.052 4.550 0.004 0.000 0.338 486 Y C -0.925 174.977 175.900 0.004 0.000 0.965 486 Y CA -1.042 57.060 58.100 0.004 0.000 1.108 486 Y CB 1.293 39.757 38.460 0.006 0.000 1.180 486 Y HN 0.366 nan 8.280 nan 0.000 0.458 487 A N 4.368 126.755 122.820 -0.722 0.000 2.276 487 A HA 0.605 4.927 4.320 0.004 0.000 0.316 487 A C -0.621 176.576 177.584 -0.645 0.000 1.229 487 A CA -0.474 51.263 52.037 -0.499 0.000 0.851 487 A CB 0.738 19.541 19.000 -0.328 0.000 1.165 487 A HN 0.657 nan 8.150 nan 0.000 0.513 488 S N 1.334 116.870 115.700 -0.274 0.000 2.509 488 S HA 0.384 4.856 4.470 0.004 0.000 0.297 488 S C 0.983 175.480 174.600 -0.171 0.000 1.118 488 S CA -0.065 58.059 58.200 -0.127 0.000 1.074 488 S CB 1.306 64.579 63.200 0.122 0.000 1.038 488 S HN 1.656 nan 8.310 nan 0.000 0.498 489 V N 2.619 122.346 119.914 -0.312 0.000 3.510 489 V HA 0.348 4.470 4.120 0.004 0.000 0.270 489 V C 0.122 175.975 176.094 -0.402 0.000 1.201 489 V CA 0.550 62.600 62.300 -0.417 0.000 1.166 489 V CB -1.393 30.094 31.823 -0.561 0.000 0.825 489 V HN 0.594 nan 8.190 nan 0.000 0.484 490 F N 0.000 119.947 119.950 -0.005 0.000 2.286 490 F HA 0.000 4.528 4.527 0.002 0.000 0.279 490 F CA 0.000 58.003 58.000 0.005 0.000 1.383 490 F CB 0.000 39.010 39.000 0.017 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574