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 1wxw_1_C DATA FIRST_RESID 2 DATA SEQUENCE RIQVNAKGAA RLLSRHLWVF RRDVVSGPET PGLYPVYWGR RFLALALYNP DATA SEQUENCE HTDLAVRAYR FAPAEDPVAA LLENLAQALA RREAVLRQDP EGGYRLVHAE DATA SEQUENCE GDLLPGLVVD YYAGHAVVQA TAHAWEGLLP QVAEALRPHV QSVLAKNDAR DATA SEQUENCE TRELEGLPLY VRPLLGEVPE RVQVQEGRVR YLVDLRAGQK TGAYLDQREN DATA SEQUENCE RLYXERFRGE RALDVFSYAG GFALHLALGF REVVAVDSSA EALRRAEENA DATA SEQUENCE RLNGLGNVRV LEANAFDLLR RLEKEGERFD LVVLDPPAFA KGKKDVERAY DATA SEQUENCE RAYKEVNLRA IKLLKEGGIL ATASCSHHXT EPLFYAXVAE AAQDAHRLLR DATA SEQUENCE VVEKRGQPFD HPVLLNHPET HYLKFAVFQV L 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.212 176.300 -0.146 0.000 0.893 2 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 2 R CB 0.000 30.333 30.300 0.056 0.000 0.687 3 I N 1.653 122.140 120.570 -0.140 0.000 2.385 3 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 3 I C -0.182 175.901 176.117 -0.057 0.000 0.988 3 I CA -0.879 60.270 61.300 -0.251 0.000 1.265 3 I CB 1.662 39.426 38.000 -0.394 0.000 1.388 3 I HN 0.318 nan 8.210 nan 0.000 0.480 4 Q N 5.964 125.736 119.800 -0.045 0.000 2.322 4 Q HA 0.563 4.903 4.340 -0.000 0.000 0.265 4 Q C -0.687 175.353 176.000 0.066 0.000 0.985 4 Q CA -0.673 55.160 55.803 0.051 0.000 0.849 4 Q CB 2.812 31.571 28.738 0.036 0.000 1.274 4 Q HN 0.594 nan 8.270 nan 0.000 0.449 5 V N -0.197 119.790 119.914 0.122 0.000 2.919 5 V HA 0.624 4.744 4.120 -0.000 0.000 0.316 5 V C -0.025 176.156 176.094 0.144 0.000 1.077 5 V CA -1.187 61.168 62.300 0.093 0.000 0.977 5 V CB 1.683 33.527 31.823 0.034 0.000 1.039 5 V HN 0.811 nan 8.190 nan 0.000 0.441 6 N N 2.069 120.812 118.700 0.072 0.000 2.366 6 N HA 0.478 5.218 4.740 -0.000 0.000 0.277 6 N C 1.097 176.515 175.510 -0.153 0.000 1.275 6 N CA 0.002 53.103 53.050 0.086 0.000 0.964 6 N CB 0.444 38.969 38.487 0.064 0.000 1.167 6 N HN 0.953 nan 8.380 nan 0.000 0.568 7 A N -0.576 122.172 122.820 -0.119 0.000 1.978 7 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 7 A C 1.802 179.134 177.584 -0.419 0.000 1.170 7 A CA 1.262 53.021 52.037 -0.462 0.000 0.636 7 A CB -0.576 18.388 19.000 -0.060 0.000 0.810 7 A HN 0.598 nan 8.150 nan 0.000 0.448 8 K N -0.534 119.747 120.400 -0.200 0.000 2.025 8 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 8 K C 2.152 178.666 176.600 -0.143 0.000 1.049 8 K CA 1.310 57.514 56.287 -0.139 0.000 0.933 8 K CB -1.287 31.178 32.500 -0.058 0.000 0.714 8 K HN 0.428 nan 8.250 nan 0.000 0.438 9 G N 1.448 110.174 108.800 -0.123 0.000 2.418 9 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 9 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 9 G C 1.758 176.572 174.900 -0.142 0.000 1.158 9 G CA 1.322 46.379 45.100 -0.072 0.000 0.771 9 G HN 0.378 nan 8.290 nan 0.000 0.545 10 A N 1.258 123.873 122.820 -0.341 0.000 1.877 10 A HA 0.219 4.539 4.320 -0.000 0.000 0.216 10 A C 2.844 180.243 177.584 -0.308 0.000 1.186 10 A CA 2.404 54.184 52.037 -0.427 0.000 0.620 10 A CB -0.890 17.418 19.000 -1.153 0.000 0.822 10 A HN 0.826 nan 8.150 nan 0.000 0.443 11 A N -0.165 122.451 122.820 -0.340 0.000 1.883 11 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 11 A C 2.240 179.761 177.584 -0.104 0.000 1.186 11 A CA 1.664 53.577 52.037 -0.207 0.000 0.624 11 A CB -0.508 18.381 19.000 -0.185 0.000 0.822 11 A HN 0.570 nan 8.150 nan 0.000 0.444 12 R N -0.597 119.859 120.500 -0.072 0.000 2.083 12 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 12 R C 2.046 178.384 176.300 0.063 0.000 1.137 12 R CA 1.631 57.729 56.100 -0.004 0.000 0.951 12 R CB -0.545 29.762 30.300 0.011 0.000 0.851 12 R HN 0.507 nan 8.270 nan 0.000 0.434 13 L N 0.521 121.791 121.223 0.078 0.000 2.156 13 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 13 L C 2.258 179.140 176.870 0.020 0.000 1.095 13 L CA 0.812 55.766 54.840 0.191 0.000 0.770 13 L CB -0.265 41.928 42.059 0.223 0.000 0.914 13 L HN 0.211 nan 8.230 nan 0.000 0.439 14 L N -0.512 120.683 121.223 -0.046 0.000 2.141 14 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 14 L C 2.648 179.425 176.870 -0.156 0.000 1.094 14 L CA 1.331 56.112 54.840 -0.099 0.000 0.763 14 L CB -0.466 41.555 42.059 -0.064 0.000 0.908 14 L HN 0.352 nan 8.230 nan 0.000 0.437 15 S N -0.783 114.854 115.700 -0.105 0.000 2.607 15 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 15 S C 0.922 175.442 174.600 -0.134 0.000 0.969 15 S CA -0.195 57.951 58.200 -0.090 0.000 0.927 15 S CB -0.030 63.151 63.200 -0.031 0.000 0.772 15 S HN 0.407 nan 8.310 nan 0.000 0.533 16 R N -0.396 119.951 120.500 -0.254 0.000 3.872 16 R HA -0.176 4.164 4.340 -0.000 0.000 0.341 16 R C -0.271 176.035 176.300 0.011 0.000 1.172 16 R CA 0.999 56.840 56.100 -0.431 0.000 0.901 16 R CB -3.105 26.914 30.300 -0.470 0.000 1.422 16 R HN 0.840 nan 8.270 nan 0.000 0.523 17 H N 0.368 119.465 119.070 0.046 0.000 2.551 17 H HA 0.324 4.880 4.556 -0.000 0.000 0.358 17 H C 1.690 177.183 175.328 0.274 0.000 1.151 17 H CA -0.080 56.021 56.048 0.089 0.000 1.374 17 H CB 0.648 30.394 29.762 -0.026 0.000 1.473 17 H HN 0.066 nan 8.280 nan 0.000 0.574 18 L N 2.429 123.823 121.223 0.285 0.000 2.509 18 L HA 0.084 4.424 4.340 -0.000 0.000 0.222 18 L C -0.162 177.013 176.870 0.508 0.000 1.123 18 L CA -0.142 54.886 54.840 0.313 0.000 0.856 18 L CB 0.019 42.090 42.059 0.020 0.000 0.985 18 L HN 0.480 nan 8.230 nan 0.000 0.456 19 W N 0.472 122.141 121.300 0.615 0.000 2.573 19 W HA 0.552 5.212 4.660 -0.000 0.000 0.326 19 W C -0.626 175.916 176.519 0.038 0.000 1.049 19 W CA -1.243 56.235 57.345 0.222 0.000 1.220 19 W CB 1.259 30.798 29.460 0.131 0.000 1.373 19 W HN -0.470 nan 8.180 nan 0.000 0.507 20 V N 4.559 124.545 119.914 0.121 0.000 2.483 20 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 20 V C -0.385 175.639 176.094 -0.117 0.000 1.027 20 V CA -0.919 61.431 62.300 0.083 0.000 0.855 20 V CB 0.950 32.833 31.823 0.099 0.000 0.995 20 V HN 0.210 nan 8.190 nan 0.000 0.424 21 F N 2.534 122.527 119.950 0.072 0.000 2.370 21 F HA 0.496 5.023 4.527 -0.000 0.000 0.319 21 F C 1.718 177.541 175.800 0.038 0.000 1.129 21 F CA -0.517 57.504 58.000 0.035 0.000 1.109 21 F CB 0.533 39.544 39.000 0.019 0.000 1.262 21 F HN 0.403 nan 8.300 nan 0.000 0.534 22 R N 0.875 121.486 120.500 0.185 0.000 2.134 22 R HA -0.255 4.085 4.340 -0.000 0.000 0.248 22 R C 2.323 178.694 176.300 0.118 0.000 1.143 22 R CA 2.374 58.547 56.100 0.121 0.000 0.957 22 R CB -0.285 30.069 30.300 0.089 0.000 0.867 22 R HN 0.732 nan 8.270 nan 0.000 0.441 23 R N -0.215 120.362 120.500 0.128 0.000 2.211 23 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 23 R C 0.516 176.865 176.300 0.082 0.000 1.144 23 R CA 2.010 58.163 56.100 0.088 0.000 0.992 23 R CB -0.152 30.188 30.300 0.068 0.000 0.869 23 R HN 0.211 nan 8.270 nan 0.000 0.462 24 D N 0.527 120.988 120.400 0.103 0.000 2.349 24 D HA 0.109 4.749 4.640 -0.000 0.000 0.214 24 D C -0.269 176.075 176.300 0.073 0.000 1.063 24 D CA 0.139 54.186 54.000 0.078 0.000 0.847 24 D CB 0.713 41.560 40.800 0.078 0.000 0.933 24 D HN -0.002 nan 8.370 nan 0.000 0.513 25 V N 1.660 121.626 119.914 0.086 0.000 2.406 25 V HA 0.040 4.160 4.120 -0.000 0.000 0.272 25 V C 1.547 177.681 176.094 0.067 0.000 1.043 25 V CA -0.204 62.144 62.300 0.080 0.000 0.915 25 V CB 2.010 33.903 31.823 0.117 0.000 0.988 25 V HN -0.133 nan 8.190 nan 0.000 0.466 26 V N 3.770 123.719 119.914 0.057 0.000 2.535 26 V HA 0.064 4.184 4.120 -0.000 0.000 0.246 26 V C 0.810 176.922 176.094 0.029 0.000 1.045 26 V CA 1.478 63.808 62.300 0.050 0.000 1.058 26 V CB 0.180 32.040 31.823 0.062 0.000 0.689 26 V HN 0.993 nan 8.190 nan 0.000 0.461 27 S N -2.052 113.653 115.700 0.008 0.000 2.595 27 S HA 0.749 5.219 4.470 -0.000 0.000 0.270 27 S C -0.593 173.954 174.600 -0.089 0.000 1.145 27 S CA -0.113 58.075 58.200 -0.020 0.000 0.825 27 S CB 1.782 64.967 63.200 -0.026 0.000 1.107 27 S HN 0.863 nan 8.310 nan 0.000 0.461 28 G N 0.031 108.760 108.800 -0.118 0.000 2.349 28 G HA2 0.651 4.611 3.960 -0.000 0.000 0.294 28 G HA3 0.651 4.611 3.960 -0.000 0.000 0.294 28 G C -3.540 171.225 174.900 -0.225 0.000 1.380 28 G CA -0.768 44.155 45.100 -0.295 0.000 0.811 28 G HN 0.718 nan 8.290 nan 0.000 0.519 29 P HA 0.150 nan 4.420 nan 0.000 0.269 29 P C 0.268 177.535 177.300 -0.055 0.000 1.205 29 P CA 0.056 62.971 63.100 -0.308 0.000 0.780 29 P CB 0.632 31.860 31.700 -0.787 0.000 0.858 30 E N -0.775 119.408 120.200 -0.029 0.000 2.472 30 E HA 0.040 4.390 4.350 -0.000 0.000 0.196 30 E C 0.379 176.977 176.600 -0.005 0.000 1.033 30 E CA 0.611 57.014 56.400 0.004 0.000 0.886 30 E CB 0.033 29.748 29.700 0.025 0.000 0.944 30 E HN 0.592 nan 8.360 nan 0.000 0.492 31 T N -0.971 113.593 114.554 0.016 0.000 2.893 31 T HA 0.532 4.882 4.350 -0.000 0.000 0.291 31 T C -2.931 171.820 174.700 0.085 0.000 1.028 31 T CA -2.509 59.602 62.100 0.018 0.000 0.995 31 T CB 2.395 71.289 68.868 0.043 0.000 1.051 31 T HN -0.335 nan 8.240 nan 0.000 0.470 32 P HA 0.547 nan 4.420 nan 0.000 0.269 32 P C 0.540 177.978 177.300 0.229 0.000 1.217 32 P CA 0.674 63.806 63.100 0.054 0.000 0.783 32 P CB 0.354 32.015 31.700 -0.065 0.000 0.898 33 G N -0.269 108.706 108.800 0.291 0.000 2.350 33 G HA2 0.185 4.145 3.960 -0.000 0.000 0.276 33 G HA3 0.185 4.145 3.960 -0.000 0.000 0.276 33 G C -2.017 172.782 174.900 -0.169 0.000 1.313 33 G CA -0.833 44.298 45.100 0.051 0.000 0.903 33 G HN 0.441 nan 8.290 nan 0.000 0.490 34 L N 0.835 121.743 121.223 -0.525 0.000 2.272 34 L HA 0.713 5.053 4.340 -0.000 0.000 0.289 34 L C -1.025 175.440 176.870 -0.675 0.000 1.032 34 L CA -0.626 53.993 54.840 -0.368 0.000 0.810 34 L CB 1.069 42.989 42.059 -0.232 0.000 1.205 34 L HN 0.572 nan 8.230 nan 0.000 0.422 35 Y N 3.233 123.573 120.300 0.067 0.000 2.571 35 Y HA 0.463 5.013 4.550 -0.000 0.000 0.341 35 Y C -2.369 173.517 175.900 -0.023 0.000 1.076 35 Y CA -2.326 55.783 58.100 0.016 0.000 1.029 35 Y CB 1.757 40.182 38.460 -0.057 0.000 1.308 35 Y HN 0.387 nan 8.280 nan 0.000 0.461 36 P HA 0.279 nan 4.420 nan 0.000 0.277 36 P C -1.044 176.200 177.300 -0.094 0.000 1.240 36 P CA -0.277 62.819 63.100 -0.006 0.000 0.798 36 P CB 1.891 33.728 31.700 0.230 0.000 0.979 37 V N 3.379 123.043 119.914 -0.416 0.000 2.417 37 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 37 V C -0.502 175.357 176.094 -0.392 0.000 1.024 37 V CA -0.379 61.756 62.300 -0.275 0.000 0.861 37 V CB 0.596 32.275 31.823 -0.241 0.000 0.985 37 V HN 0.440 nan 8.190 nan 0.000 0.436 38 Y N 2.288 122.514 120.300 -0.122 0.000 2.524 38 Y HA 0.562 5.112 4.550 -0.000 0.000 0.344 38 Y C -0.695 175.283 175.900 0.130 0.000 1.012 38 Y CA -0.761 57.331 58.100 -0.014 0.000 1.068 38 Y CB 2.167 40.629 38.460 0.003 0.000 1.249 38 Y HN 0.741 nan 8.280 nan 0.000 0.468 39 W N 3.899 125.277 121.300 0.130 0.000 2.338 39 W HA 0.552 5.212 4.660 -0.000 0.000 0.315 39 W C 0.304 176.887 176.519 0.107 0.000 1.005 39 W CA -0.510 56.885 57.345 0.083 0.000 1.380 39 W CB 0.443 29.933 29.460 0.050 0.000 1.235 39 W HN 0.866 nan 8.180 nan 0.000 0.409 40 G N 4.619 113.443 108.800 0.039 0.000 2.561 40 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.289 40 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.289 40 G C 0.910 175.810 174.900 0.000 0.000 1.169 40 G CA 0.745 45.779 45.100 -0.110 0.000 0.980 40 G HN 0.530 nan 8.290 nan 0.000 0.550 41 R N 0.633 121.122 120.500 -0.018 0.000 2.312 41 R HA 0.281 4.621 4.340 -0.000 0.000 0.205 41 R C 1.509 177.984 176.300 0.291 0.000 0.904 41 R CA 0.369 56.512 56.100 0.072 0.000 1.052 41 R CB 0.218 30.520 30.300 0.003 0.000 1.014 41 R HN 0.439 nan 8.270 nan 0.000 0.503 42 R N 0.955 121.594 120.500 0.231 0.000 2.267 42 R HA 0.063 4.403 4.340 -0.000 0.000 0.319 42 R C -0.916 175.533 176.300 0.247 0.000 1.067 42 R CA -0.306 55.943 56.100 0.248 0.000 0.936 42 R CB 0.232 30.628 30.300 0.160 0.000 1.006 42 R HN -0.041 nan 8.270 nan 0.000 0.452 43 F N 5.403 125.316 119.950 -0.062 0.000 2.484 43 F HA 0.085 4.612 4.527 -0.000 0.000 0.360 43 F C 0.172 175.856 175.800 -0.194 0.000 1.101 43 F CA 0.123 57.815 58.000 -0.513 0.000 1.251 43 F CB 0.658 39.410 39.000 -0.412 0.000 1.132 43 F HN 0.542 nan 8.300 nan 0.000 0.570 44 L N 4.414 125.212 121.223 -0.709 0.000 2.600 44 L HA 0.535 4.875 4.340 -0.000 0.000 0.213 44 L C 0.320 176.998 176.870 -0.321 0.000 1.045 44 L CA 0.347 55.032 54.840 -0.258 0.000 0.863 44 L CB 0.151 42.134 42.059 -0.126 0.000 1.189 44 L HN 0.763 nan 8.230 nan 0.000 0.484 45 A N -0.345 121.904 122.820 -0.952 0.000 2.515 45 A HA 0.600 4.920 4.320 -0.000 0.000 0.292 45 A C -1.920 175.275 177.584 -0.648 0.000 1.065 45 A CA -0.537 51.136 52.037 -0.607 0.000 0.641 45 A CB 0.792 19.518 19.000 -0.457 0.000 1.306 45 A HN -0.020 nan 8.150 nan 0.000 0.441 46 L N 0.233 121.187 121.223 -0.449 0.000 2.325 46 L HA 0.820 5.160 4.340 -0.000 0.000 0.278 46 L C 0.385 176.967 176.870 -0.480 0.000 1.023 46 L CA -0.321 54.264 54.840 -0.425 0.000 0.811 46 L CB 1.701 43.410 42.059 -0.583 0.000 1.249 46 L HN 1.151 nan 8.230 nan 0.000 0.431 47 A N 3.207 125.974 122.820 -0.088 0.000 2.609 47 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 47 A C -1.372 176.377 177.584 0.275 0.000 1.096 47 A CA -0.604 51.520 52.037 0.145 0.000 0.684 47 A CB 1.393 20.429 19.000 0.061 0.000 1.282 47 A HN 0.576 nan 8.150 nan 0.000 0.412 48 L N 1.198 122.576 121.223 0.258 0.000 2.312 48 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 48 L C -0.850 176.176 176.870 0.259 0.000 1.070 48 L CA -0.388 54.556 54.840 0.173 0.000 0.805 48 L CB 1.142 43.255 42.059 0.091 0.000 1.174 48 L HN 0.783 nan 8.230 nan 0.000 0.434 49 Y N 3.748 124.125 120.300 0.129 0.000 2.499 49 Y HA 0.476 5.026 4.550 -0.000 0.000 0.347 49 Y C -0.682 175.251 175.900 0.054 0.000 0.987 49 Y CA -1.102 57.067 58.100 0.114 0.000 1.044 49 Y CB 1.819 40.419 38.460 0.232 0.000 1.245 49 Y HN 0.486 nan 8.280 nan 0.000 0.461 50 N N 6.061 124.303 118.700 -0.763 0.000 2.500 50 N HA 0.321 5.061 4.740 -0.000 0.000 0.291 50 N C -2.661 172.210 175.510 -1.065 0.000 1.092 50 N CA -1.975 50.673 53.050 -0.670 0.000 0.890 50 N CB 2.903 41.191 38.487 -0.332 0.000 1.466 50 N HN 0.403 nan 8.380 nan 0.000 0.507 51 P HA 0.046 nan 4.420 nan 0.000 0.241 51 P C -0.025 176.976 177.300 -0.498 0.000 1.191 51 P CA 0.814 63.463 63.100 -0.750 0.000 0.771 51 P CB 0.319 31.677 31.700 -0.571 0.000 0.929 52 H N -1.499 117.455 119.070 -0.193 0.000 2.592 52 H HA 0.351 4.907 4.556 -0.000 0.000 0.279 52 H C 0.149 175.415 175.328 -0.102 0.000 1.089 52 H CA 0.088 56.068 56.048 -0.112 0.000 1.150 52 H CB 0.280 29.991 29.762 -0.084 0.000 1.575 52 H HN 0.006 nan 8.280 nan 0.000 0.547 53 T N 0.275 114.781 114.554 -0.081 0.000 2.908 53 T HA 0.055 4.405 4.350 -0.000 0.000 0.290 53 T C 0.933 175.598 174.700 -0.057 0.000 1.034 53 T CA -0.590 61.470 62.100 -0.067 0.000 1.010 53 T CB 2.870 71.671 68.868 -0.112 0.000 1.068 53 T HN 0.072 nan 8.240 nan 0.000 0.481 54 D N 0.805 121.204 120.400 -0.002 0.000 2.104 54 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 54 D C 0.795 177.129 176.300 0.056 0.000 0.994 54 D CA 0.884 54.931 54.000 0.078 0.000 0.830 54 D CB 0.056 40.936 40.800 0.133 0.000 0.959 54 D HN 0.219 nan 8.370 nan 0.000 0.452 55 L N 0.615 121.767 121.223 -0.117 0.000 2.334 55 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 55 L C 0.737 177.389 176.870 -0.364 0.000 1.108 55 L CA -0.130 54.415 54.840 -0.491 0.000 0.875 55 L CB 0.315 41.987 42.059 -0.645 0.000 1.246 55 L HN 0.067 nan 8.230 nan 0.000 0.439 56 A N 4.230 126.882 122.820 -0.279 0.000 1.887 56 A HA 0.246 4.566 4.320 -0.000 0.000 0.212 56 A C 0.597 178.168 177.584 -0.022 0.000 1.198 56 A CA 0.598 52.522 52.037 -0.189 0.000 0.628 56 A CB 0.093 19.080 19.000 -0.022 0.000 0.847 56 A HN 0.410 nan 8.150 nan 0.000 0.449 57 V N 1.134 121.059 119.914 0.017 0.000 2.384 57 V HA 0.413 4.532 4.120 -0.000 0.000 0.287 57 V C -0.492 175.681 176.094 0.132 0.000 1.020 57 V CA -0.579 61.804 62.300 0.139 0.000 0.850 57 V CB 1.136 33.045 31.823 0.143 0.000 0.987 57 V HN 0.425 nan 8.190 nan 0.000 0.436 58 R N 3.583 124.198 120.500 0.191 0.000 2.352 58 R HA 0.664 5.004 4.340 -0.000 0.000 0.304 58 R C -0.103 176.341 176.300 0.239 0.000 1.104 58 R CA -0.342 55.947 56.100 0.314 0.000 0.991 58 R CB 1.765 32.218 30.300 0.254 0.000 1.140 58 R HN 0.794 nan 8.270 nan 0.000 0.540 59 A N 1.900 124.814 122.820 0.158 0.000 2.386 59 A HA 0.203 4.523 4.320 -0.000 0.000 0.248 59 A C 0.059 177.616 177.584 -0.044 0.000 1.082 59 A CA -0.076 51.915 52.037 -0.078 0.000 0.789 59 A CB -0.005 18.796 19.000 -0.331 0.000 1.025 59 A HN 0.925 nan 8.150 nan 0.000 0.490 60 Y N -1.139 119.022 120.300 -0.233 0.000 2.666 60 Y HA 0.572 5.122 4.550 -0.000 0.000 0.260 60 Y C 0.051 175.835 175.900 -0.192 0.000 1.089 60 Y CA -0.696 57.310 58.100 -0.157 0.000 1.246 60 Y CB 0.580 39.008 38.460 -0.053 0.000 1.353 60 Y HN 0.429 nan 8.280 nan 0.000 0.558 61 R N 0.757 120.817 120.500 -0.733 0.000 2.536 61 R HA 0.290 4.630 4.340 -0.000 0.000 0.269 61 R C -1.981 174.007 176.300 -0.521 0.000 1.113 61 R CA -0.856 54.937 56.100 -0.512 0.000 0.948 61 R CB 0.662 30.678 30.300 -0.474 0.000 1.237 61 R HN 0.254 nan 8.270 nan 0.000 0.441 62 F N 1.001 120.946 119.950 -0.008 0.000 2.925 62 F HA 0.578 5.105 4.527 -0.000 0.000 0.302 62 F C 0.432 176.321 175.800 0.150 0.000 1.189 62 F CA -0.296 57.743 58.000 0.065 0.000 1.346 62 F CB 1.058 40.079 39.000 0.036 0.000 0.954 62 F HN 0.493 nan 8.300 nan 0.000 0.506 63 A N 0.573 123.542 122.820 0.249 0.000 2.566 63 A HA 0.659 4.979 4.320 -0.000 0.000 0.297 63 A C -2.759 174.715 177.584 -0.184 0.000 1.059 63 A CA -1.424 50.640 52.037 0.045 0.000 0.691 63 A CB 1.264 20.270 19.000 0.010 0.000 1.282 63 A HN -0.069 nan 8.150 nan 0.000 0.401 64 P HA 0.455 nan 4.420 nan 0.000 0.271 64 P C -0.210 176.938 177.300 -0.254 0.000 1.238 64 P CA 0.273 62.954 63.100 -0.699 0.000 0.794 64 P CB 0.913 32.105 31.700 -0.847 0.000 0.959 65 A N 0.117 122.848 122.820 -0.148 0.000 2.589 65 A HA 0.279 4.599 4.320 -0.000 0.000 0.296 65 A C 0.900 178.462 177.584 -0.036 0.000 1.062 65 A CA -0.569 51.429 52.037 -0.065 0.000 0.686 65 A CB 0.725 19.712 19.000 -0.021 0.000 1.282 65 A HN 0.486 nan 8.150 nan 0.000 0.404 66 E N 0.263 120.449 120.200 -0.024 0.000 2.051 66 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 66 E C -0.316 176.286 176.600 0.003 0.000 0.991 66 E CA 1.474 57.868 56.400 -0.011 0.000 0.799 66 E CB 0.199 29.893 29.700 -0.010 0.000 0.748 66 E HN 0.610 nan 8.360 nan 0.000 0.449 67 D N -0.638 119.766 120.400 0.006 0.000 2.469 67 D HA 0.142 4.781 4.640 -0.000 0.000 0.251 67 D C -2.220 174.095 176.300 0.024 0.000 1.173 67 D CA -2.548 51.458 54.000 0.010 0.000 0.882 67 D CB 1.666 42.468 40.800 0.003 0.000 1.129 67 D HN -0.303 nan 8.370 nan 0.000 0.549 68 P HA -0.137 nan 4.420 nan 0.000 0.218 68 P C 1.437 178.777 177.300 0.066 0.000 1.148 68 P CA 0.584 63.737 63.100 0.088 0.000 0.822 68 P CB 0.500 32.250 31.700 0.083 0.000 0.784 69 V N -0.168 119.735 119.914 -0.020 0.000 2.379 69 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 69 V C 2.404 178.463 176.094 -0.057 0.000 1.044 69 V CA 2.044 64.290 62.300 -0.091 0.000 1.036 69 V CB -1.631 30.131 31.823 -0.102 0.000 0.664 69 V HN 0.097 nan 8.190 nan 0.000 0.453 70 A N 0.159 122.971 122.820 -0.014 0.000 1.933 70 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 70 A C 2.420 180.021 177.584 0.029 0.000 1.175 70 A CA 2.022 54.061 52.037 0.003 0.000 0.628 70 A CB -0.706 18.299 19.000 0.008 0.000 0.814 70 A HN 0.553 nan 8.150 nan 0.000 0.444 71 A N -0.519 122.339 122.820 0.062 0.000 1.902 71 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 71 A C 2.113 179.796 177.584 0.164 0.000 1.181 71 A CA 1.700 53.809 52.037 0.121 0.000 0.623 71 A CB -0.603 18.491 19.000 0.156 0.000 0.818 71 A HN 0.664 nan 8.150 nan 0.000 0.443 72 L N -0.213 121.065 121.223 0.091 0.000 2.083 72 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 72 L C 2.179 179.029 176.870 -0.034 0.000 1.083 72 L CA 1.634 56.372 54.840 -0.170 0.000 0.752 72 L CB -0.400 41.266 42.059 -0.655 0.000 0.899 72 L HN 0.406 nan 8.230 nan 0.000 0.433 73 L N -1.054 120.164 121.223 -0.009 0.000 2.217 73 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 73 L C 2.371 179.282 176.870 0.069 0.000 1.107 73 L CA 0.817 55.692 54.840 0.058 0.000 0.783 73 L CB -0.548 41.532 42.059 0.036 0.000 0.919 73 L HN 0.349 nan 8.230 nan 0.000 0.442 74 E N 0.172 120.409 120.200 0.063 0.000 2.072 74 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 74 E C 1.803 178.445 176.600 0.070 0.000 0.985 74 E CA 1.043 57.479 56.400 0.060 0.000 0.801 74 E CB -0.137 29.598 29.700 0.058 0.000 0.750 74 E HN 0.415 nan 8.360 nan 0.000 0.452 75 N N 1.012 119.769 118.700 0.096 0.000 2.094 75 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 75 N C 1.785 177.346 175.510 0.084 0.000 1.023 75 N CA 0.755 53.867 53.050 0.103 0.000 0.857 75 N CB -0.332 38.244 38.487 0.147 0.000 1.013 75 N HN 0.102 nan 8.380 nan 0.000 0.426 76 L N 0.824 122.111 121.223 0.105 0.000 1.994 76 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 76 L C 2.053 178.943 176.870 0.033 0.000 1.071 76 L CA 1.873 56.759 54.840 0.077 0.000 0.745 76 L CB -1.154 40.982 42.059 0.128 0.000 0.892 76 L HN 0.142 nan 8.230 nan 0.000 0.431 77 A N -0.822 122.024 122.820 0.043 0.000 1.892 77 A HA -0.313 4.007 4.320 -0.000 0.000 0.218 77 A C 2.170 179.760 177.584 0.009 0.000 1.188 77 A CA 2.206 54.259 52.037 0.027 0.000 0.631 77 A CB -0.768 18.253 19.000 0.035 0.000 0.822 77 A HN 0.726 nan 8.150 nan 0.000 0.447 78 Q N -0.833 118.977 119.800 0.017 0.000 2.170 78 Q HA -0.068 4.272 4.340 -0.000 0.000 0.203 78 Q C 2.400 178.395 176.000 -0.008 0.000 0.976 78 Q CA 1.176 56.984 55.803 0.009 0.000 0.858 78 Q CB -0.384 28.368 28.738 0.024 0.000 0.907 78 Q HN 0.707 nan 8.270 nan 0.000 0.433 79 A N 1.165 123.978 122.820 -0.011 0.000 1.873 79 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 79 A C 2.084 179.624 177.584 -0.074 0.000 1.186 79 A CA 0.990 53.005 52.037 -0.037 0.000 0.616 79 A CB -0.599 18.376 19.000 -0.042 0.000 0.823 79 A HN 0.264 nan 8.150 nan 0.000 0.442 80 L N -0.844 120.329 121.223 -0.083 0.000 2.093 80 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 80 L C 3.072 179.842 176.870 -0.167 0.000 1.085 80 L CA 0.929 55.681 54.840 -0.146 0.000 0.755 80 L CB -0.556 41.423 42.059 -0.133 0.000 0.904 80 L HN 0.448 nan 8.230 nan 0.000 0.435 81 A N 0.193 122.954 122.820 -0.098 0.000 1.933 81 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 81 A C 2.334 179.874 177.584 -0.073 0.000 1.175 81 A CA 1.375 53.364 52.037 -0.081 0.000 0.628 81 A CB -0.470 18.508 19.000 -0.036 0.000 0.814 81 A HN 0.321 nan 8.150 nan 0.000 0.444 82 R N -1.256 119.216 120.500 -0.046 0.000 2.193 82 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 82 R C 1.532 177.853 176.300 0.034 0.000 1.110 82 R CA 1.257 57.358 56.100 0.003 0.000 0.988 82 R CB -0.082 30.236 30.300 0.031 0.000 0.871 82 R HN 0.311 nan 8.270 nan 0.000 0.458 83 R N -0.402 120.064 120.500 -0.056 0.000 2.362 83 R HA 0.072 4.412 4.340 -0.000 0.000 0.227 83 R C 1.333 177.498 176.300 -0.225 0.000 0.905 83 R CA 0.132 56.175 56.100 -0.096 0.000 1.067 83 R CB 0.185 30.362 30.300 -0.204 0.000 1.078 83 R HN 0.219 nan 8.270 nan 0.000 0.516 84 E N 0.906 120.980 120.200 -0.211 0.000 2.058 84 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 84 E C 1.743 178.234 176.600 -0.182 0.000 0.997 84 E CA 1.519 57.788 56.400 -0.218 0.000 0.801 84 E CB 0.010 29.627 29.700 -0.138 0.000 0.746 84 E HN 0.365 nan 8.360 nan 0.000 0.450 85 A N 0.651 123.374 122.820 -0.162 0.000 1.892 85 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 85 A C 2.462 179.921 177.584 -0.208 0.000 1.188 85 A CA 2.307 54.246 52.037 -0.163 0.000 0.631 85 A CB -1.126 17.771 19.000 -0.171 0.000 0.822 85 A HN 0.355 nan 8.150 nan 0.000 0.447 86 V N -2.140 117.598 119.914 -0.294 0.000 2.548 86 V HA -0.104 4.016 4.120 -0.000 0.000 0.249 86 V C 2.195 178.016 176.094 -0.456 0.000 1.055 86 V CA 1.704 63.750 62.300 -0.423 0.000 1.065 86 V CB -0.925 30.470 31.823 -0.714 0.000 0.681 86 V HN 0.458 nan 8.190 nan 0.000 0.462 87 L N -0.262 120.691 121.223 -0.450 0.000 2.201 87 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 87 L C 3.034 179.800 176.870 -0.174 0.000 1.105 87 L CA 1.687 56.283 54.840 -0.405 0.000 0.775 87 L CB -0.552 41.233 42.059 -0.457 0.000 0.913 87 L HN 0.340 nan 8.230 nan 0.000 0.440 88 R N -0.218 120.202 120.500 -0.132 0.000 2.052 88 R HA -0.098 4.242 4.340 -0.000 0.000 0.226 88 R C 2.283 178.557 176.300 -0.044 0.000 1.145 88 R CA 1.002 57.068 56.100 -0.058 0.000 0.952 88 R CB -0.361 29.909 30.300 -0.051 0.000 0.847 88 R HN 0.367 nan 8.270 nan 0.000 0.431 89 Q N 0.399 120.160 119.800 -0.065 0.000 2.061 89 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 89 Q C 0.265 176.268 176.000 0.006 0.000 0.984 89 Q CA 1.326 57.109 55.803 -0.034 0.000 0.846 89 Q CB 0.008 28.716 28.738 -0.049 0.000 0.902 89 Q HN 0.143 nan 8.270 nan 0.000 0.421 90 D N -1.048 119.361 120.400 0.015 0.000 2.634 90 D HA 0.166 4.806 4.640 -0.000 0.000 0.318 90 D C -2.170 174.226 176.300 0.160 0.000 1.226 90 D CA -2.110 51.959 54.000 0.115 0.000 0.899 90 D CB 0.877 41.812 40.800 0.225 0.000 1.025 90 D HN -0.137 nan 8.370 nan 0.000 0.501 91 P HA -0.135 nan 4.420 nan 0.000 0.219 91 P C 0.895 178.369 177.300 0.291 0.000 1.146 91 P CA 0.920 64.132 63.100 0.186 0.000 0.808 91 P CB 0.207 31.979 31.700 0.120 0.000 0.779 92 E N -0.593 119.729 120.200 0.203 0.000 2.463 92 E HA 0.142 4.492 4.350 -0.000 0.000 0.193 92 E C 0.987 177.685 176.600 0.165 0.000 1.041 92 E CA 0.053 56.546 56.400 0.154 0.000 0.879 92 E CB -0.574 29.171 29.700 0.075 0.000 0.997 92 E HN 0.041 nan 8.360 nan 0.000 0.478 93 G N 0.354 109.324 108.800 0.283 0.000 2.535 93 G HA2 0.479 4.439 3.960 -0.000 0.000 0.282 93 G HA3 0.479 4.439 3.960 -0.000 0.000 0.282 93 G C -0.229 174.778 174.900 0.178 0.000 1.350 93 G CA -0.257 44.951 45.100 0.181 0.000 1.039 93 G HN 0.188 nan 8.290 nan 0.000 0.509 94 G N -1.246 107.477 108.800 -0.128 0.000 2.487 94 G HA2 0.596 4.556 3.960 -0.000 0.000 0.314 94 G HA3 0.596 4.556 3.960 -0.000 0.000 0.314 94 G C -1.663 173.005 174.900 -0.386 0.000 1.267 94 G CA -0.317 44.781 45.100 -0.003 0.000 0.937 94 G HN 0.391 nan 8.290 nan 0.000 0.481 95 Y N 0.336 120.700 120.300 0.106 0.000 2.534 95 Y HA 0.571 5.121 4.550 -0.000 0.000 0.345 95 Y C 0.184 175.986 175.900 -0.164 0.000 1.031 95 Y CA -1.192 56.879 58.100 -0.048 0.000 1.022 95 Y CB 2.355 40.746 38.460 -0.115 0.000 1.292 95 Y HN 0.583 nan 8.280 nan 0.000 0.459 96 R N 1.810 122.224 120.500 -0.143 0.000 2.308 96 R HA 0.420 4.760 4.340 -0.000 0.000 0.305 96 R C -0.400 175.732 176.300 -0.280 0.000 1.053 96 R CA 0.114 56.022 56.100 -0.320 0.000 0.957 96 R CB 0.271 30.107 30.300 -0.773 0.000 1.022 96 R HN 0.911 nan 8.270 nan 0.000 0.461 97 L N 3.019 124.115 121.223 -0.212 0.000 2.357 97 L HA 0.278 4.618 4.340 -0.000 0.000 0.211 97 L C -0.187 176.575 176.870 -0.180 0.000 1.075 97 L CA 0.130 54.856 54.840 -0.189 0.000 0.830 97 L CB 0.485 42.461 42.059 -0.139 0.000 0.996 97 L HN 0.305 nan 8.230 nan 0.000 0.467 98 V N -0.813 118.997 119.914 -0.173 0.000 2.524 98 V HA 0.205 4.325 4.120 -0.000 0.000 0.297 98 V C -1.082 174.958 176.094 -0.089 0.000 1.035 98 V CA -0.570 61.644 62.300 -0.142 0.000 0.867 98 V CB 1.659 33.371 31.823 -0.185 0.000 1.004 98 V HN 0.114 nan 8.190 nan 0.000 0.426 99 H N 4.423 123.380 119.070 -0.189 0.000 2.421 99 H HA 0.728 5.284 4.556 -0.000 0.000 0.241 99 H C 0.660 175.935 175.328 -0.089 0.000 1.428 99 H CA 0.342 56.298 56.048 -0.152 0.000 1.136 99 H CB 0.132 29.788 29.762 -0.177 0.000 1.612 99 H HN 1.038 nan 8.280 nan 0.000 0.537 100 A N 1.081 123.818 122.820 -0.138 0.000 5.481 100 A HA -0.383 3.937 4.320 -0.000 0.000 0.318 100 A C 2.101 179.607 177.584 -0.129 0.000 1.837 100 A CA 1.609 53.560 52.037 -0.143 0.000 0.717 100 A CB -1.146 17.758 19.000 -0.160 0.000 1.349 100 A HN 0.619 nan 8.150 nan 0.000 0.388 101 E N 0.443 120.548 120.200 -0.158 0.000 2.160 101 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 101 E C 2.044 178.504 176.600 -0.233 0.000 0.991 101 E CA 1.707 57.985 56.400 -0.204 0.000 0.810 101 E CB -1.108 28.340 29.700 -0.419 0.000 0.742 101 E HN 1.183 nan 8.360 nan 0.000 0.466 102 G N 1.830 110.474 108.800 -0.259 0.000 2.475 102 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 102 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 102 G C 1.061 175.926 174.900 -0.058 0.000 1.125 102 G CA 0.910 45.924 45.100 -0.144 0.000 0.755 102 G HN 0.168 nan 8.290 nan 0.000 0.565 103 D N 0.158 120.529 120.400 -0.049 0.000 2.388 103 D HA 0.217 4.857 4.640 -0.000 0.000 0.221 103 D C 1.051 177.359 176.300 0.015 0.000 1.133 103 D CA -0.280 53.712 54.000 -0.013 0.000 0.831 103 D CB 0.264 41.051 40.800 -0.022 0.000 0.962 103 D HN 0.222 nan 8.370 nan 0.000 0.502 104 L N 0.267 121.495 121.223 0.008 0.000 3.717 104 L HA -0.241 4.099 4.340 -0.000 0.000 0.414 104 L C -0.461 176.486 176.870 0.128 0.000 1.228 104 L CA 0.404 55.283 54.840 0.066 0.000 0.918 104 L CB -1.490 40.624 42.059 0.092 0.000 1.865 104 L HN 0.171 nan 8.230 nan 0.000 0.922 105 L N -0.414 120.870 121.223 0.101 0.000 2.551 105 L HA 0.402 4.742 4.340 -0.000 0.000 0.248 105 L C -2.160 174.819 176.870 0.182 0.000 1.509 105 L CA -1.474 53.483 54.840 0.195 0.000 0.842 105 L CB 1.013 43.143 42.059 0.117 0.000 1.087 105 L HN -0.149 nan 8.230 nan 0.000 0.512 106 P HA 0.056 nan 4.420 nan 0.000 0.265 106 P C 1.069 178.542 177.300 0.287 0.000 1.187 106 P CA 0.807 64.032 63.100 0.208 0.000 0.766 106 P CB 0.747 32.589 31.700 0.238 0.000 0.820 107 G N 0.832 109.727 108.800 0.158 0.000 2.155 107 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.257 107 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.257 107 G C -0.402 174.440 174.900 -0.097 0.000 0.983 107 G CA 0.091 45.271 45.100 0.133 0.000 0.676 107 G HN 0.585 nan 8.290 nan 0.000 0.528 108 L N 0.123 121.181 121.223 -0.276 0.000 2.438 108 L HA 0.812 5.152 4.340 -0.000 0.000 0.270 108 L C -0.647 176.009 176.870 -0.358 0.000 0.972 108 L CA -1.093 53.378 54.840 -0.615 0.000 0.831 108 L CB 2.400 43.614 42.059 -1.407 0.000 1.273 108 L HN 0.104 nan 8.230 nan 0.000 0.405 109 V N 5.251 124.996 119.914 -0.281 0.000 2.656 109 V HA 0.754 4.874 4.120 -0.000 0.000 0.307 109 V C -0.985 175.001 176.094 -0.180 0.000 1.051 109 V CA -0.598 61.600 62.300 -0.169 0.000 0.893 109 V CB 2.355 34.129 31.823 -0.081 0.000 0.999 109 V HN 0.498 nan 8.190 nan 0.000 0.426 110 V N 3.732 123.548 119.914 -0.163 0.000 2.569 110 V HA 0.546 4.666 4.120 -0.000 0.000 0.301 110 V C -1.022 174.978 176.094 -0.157 0.000 1.044 110 V CA -0.705 61.504 62.300 -0.152 0.000 0.874 110 V CB 2.043 33.771 31.823 -0.159 0.000 1.002 110 V HN 0.837 nan 8.190 nan 0.000 0.424 111 D N 2.174 122.463 120.400 -0.185 0.000 2.340 111 D HA 0.425 5.065 4.640 -0.000 0.000 0.240 111 D C -1.485 174.560 176.300 -0.424 0.000 1.001 111 D CA -0.281 53.520 54.000 -0.331 0.000 0.888 111 D CB 3.097 43.642 40.800 -0.424 0.000 1.310 111 D HN 0.557 nan 8.370 nan 0.000 0.474 112 Y N 1.645 121.595 120.300 -0.584 0.000 2.328 112 Y HA 0.333 4.883 4.550 -0.000 0.000 0.336 112 Y C -1.553 174.080 175.900 -0.445 0.000 0.960 112 Y CA -0.743 57.119 58.100 -0.398 0.000 1.134 112 Y CB 0.683 39.060 38.460 -0.138 0.000 1.166 112 Y HN 0.208 nan 8.280 nan 0.000 0.464 113 Y N 4.873 125.010 120.300 -0.273 0.000 2.686 113 Y HA 0.527 5.077 4.550 -0.000 0.000 0.331 113 Y C 0.518 176.207 175.900 -0.352 0.000 0.996 113 Y CA -1.182 56.810 58.100 -0.179 0.000 1.293 113 Y CB 1.119 39.539 38.460 -0.067 0.000 1.092 113 Y HN 0.879 nan 8.280 nan 0.000 0.524 114 A N 1.929 124.624 122.820 -0.209 0.000 2.511 114 A HA 0.022 4.342 4.320 -0.000 0.000 0.297 114 A C 1.686 179.014 177.584 -0.426 0.000 1.476 114 A CA 1.638 53.583 52.037 -0.153 0.000 0.757 114 A CB -1.751 17.237 19.000 -0.020 0.000 1.072 114 A HN 1.987 nan 8.150 nan 0.000 0.413 115 G N -1.611 106.555 108.800 -1.056 0.000 2.213 115 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 115 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 115 G C -0.096 174.270 174.900 -0.890 0.000 0.991 115 G CA 0.429 45.065 45.100 -0.773 0.000 0.629 115 G HN 1.601 nan 8.290 nan 0.000 0.517 116 H N 0.802 119.625 119.070 -0.411 0.000 2.587 116 H HA 0.701 5.257 4.556 -0.000 0.000 0.325 116 H C 0.333 175.552 175.328 -0.181 0.000 1.012 116 H CA 0.177 56.114 56.048 -0.185 0.000 1.213 116 H CB 1.439 31.160 29.762 -0.067 0.000 1.431 116 H HN 0.573 nan 8.280 nan 0.000 0.492 117 A N 3.266 126.070 122.820 -0.028 0.000 2.303 117 A HA 0.556 4.876 4.320 -0.000 0.000 0.317 117 A C -0.236 177.358 177.584 0.017 0.000 1.149 117 A CA -0.608 51.405 52.037 -0.039 0.000 0.822 117 A CB 0.890 19.891 19.000 0.001 0.000 1.131 117 A HN 0.434 nan 8.150 nan 0.000 0.493 118 V N 3.126 123.033 119.914 -0.011 0.000 2.407 118 V HA 0.356 4.475 4.120 -0.000 0.000 0.291 118 V C -0.329 175.750 176.094 -0.024 0.000 1.018 118 V CA -0.479 61.843 62.300 0.036 0.000 0.842 118 V CB 1.340 33.247 31.823 0.141 0.000 0.996 118 V HN 0.654 nan 8.190 nan 0.000 0.426 119 V N 5.259 125.154 119.914 -0.031 0.000 2.481 119 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 119 V C -0.130 175.912 176.094 -0.087 0.000 1.042 119 V CA -0.470 61.782 62.300 -0.080 0.000 0.928 119 V CB 1.626 33.401 31.823 -0.079 0.000 0.986 119 V HN 0.916 nan 8.190 nan 0.000 0.462 120 Q N 3.100 122.824 119.800 -0.126 0.000 2.490 120 Q HA 0.619 4.959 4.340 -0.000 0.000 0.255 120 Q C -0.454 175.449 176.000 -0.162 0.000 0.997 120 Q CA -0.323 55.408 55.803 -0.120 0.000 0.709 120 Q CB 2.109 30.795 28.738 -0.085 0.000 1.255 120 Q HN 0.895 nan 8.270 nan 0.000 0.486 121 A N 1.237 123.968 122.820 -0.149 0.000 2.286 121 A HA 0.658 4.978 4.320 -0.000 0.000 0.286 121 A C 0.600 178.156 177.584 -0.047 0.000 1.097 121 A CA -0.179 51.779 52.037 -0.131 0.000 0.821 121 A CB 0.542 19.521 19.000 -0.034 0.000 1.076 121 A HN 0.685 nan 8.150 nan 0.000 0.490 122 T N -2.603 111.969 114.554 0.030 0.000 3.855 122 T HA 0.587 4.937 4.350 -0.000 0.000 0.313 122 T C -0.452 174.317 174.700 0.114 0.000 0.938 122 T CA 0.486 62.616 62.100 0.049 0.000 1.011 122 T CB -0.608 68.269 68.868 0.014 0.000 1.188 122 T HN 2.061 nan 8.240 nan 0.000 0.477 123 A N 0.342 123.278 122.820 0.193 0.000 2.500 123 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 123 A C 0.407 178.096 177.584 0.176 0.000 1.048 123 A CA -0.373 51.774 52.037 0.184 0.000 0.791 123 A CB 0.433 19.553 19.000 0.201 0.000 1.309 123 A HN 0.412 nan 8.150 nan 0.000 0.397 124 H N 2.598 121.699 119.070 0.052 0.000 2.383 124 H HA -0.323 4.233 4.556 -0.000 0.000 0.286 124 H C 2.015 177.337 175.328 -0.010 0.000 1.126 124 H CA 3.836 59.904 56.048 0.033 0.000 1.182 124 H CB 0.222 29.999 29.762 0.025 0.000 1.352 124 H HN 0.899 nan 8.280 nan 0.000 0.480 125 A N -0.402 122.343 122.820 -0.124 0.000 1.978 125 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 125 A C 2.260 179.623 177.584 -0.368 0.000 1.170 125 A CA 1.524 53.361 52.037 -0.333 0.000 0.636 125 A CB -1.223 17.503 19.000 -0.456 0.000 0.810 125 A HN 0.720 nan 8.150 nan 0.000 0.448 126 W N -0.571 120.654 121.300 -0.124 0.000 2.418 126 W HA -0.011 4.649 4.660 -0.000 0.000 0.292 126 W C 2.193 178.655 176.519 -0.094 0.000 1.213 126 W CA 0.766 58.049 57.345 -0.104 0.000 1.283 126 W CB -0.094 29.318 29.460 -0.080 0.000 1.119 126 W HN 0.373 nan 8.180 nan 0.000 0.542 127 E N 0.326 120.583 120.200 0.096 0.000 2.086 127 E HA -0.214 4.136 4.350 -0.000 0.000 0.205 127 E C 2.341 178.953 176.600 0.021 0.000 1.027 127 E CA 2.172 58.602 56.400 0.049 0.000 0.830 127 E CB -0.999 28.686 29.700 -0.025 0.000 0.751 127 E HN 0.144 nan 8.360 nan 0.000 0.456 128 G N -0.871 107.888 108.800 -0.067 0.000 2.744 128 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.211 128 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.211 128 G C 1.147 176.040 174.900 -0.013 0.000 1.143 128 G CA 0.316 45.386 45.100 -0.049 0.000 0.788 128 G HN 0.274 nan 8.290 nan 0.000 0.534 129 L N -0.091 121.148 121.223 0.026 0.000 2.640 129 L HA 0.306 4.646 4.340 -0.000 0.000 0.230 129 L C 2.269 179.219 176.870 0.133 0.000 1.123 129 L CA -0.188 54.695 54.840 0.072 0.000 0.900 129 L CB 0.007 42.117 42.059 0.084 0.000 1.146 129 L HN 0.123 nan 8.230 nan 0.000 0.484 130 L N 0.647 121.946 121.223 0.126 0.000 2.051 130 L HA -0.194 4.146 4.340 -0.000 0.000 0.214 130 L C -0.241 176.675 176.870 0.075 0.000 1.076 130 L CA 1.721 56.626 54.840 0.108 0.000 0.758 130 L CB -1.790 40.333 42.059 0.107 0.000 0.890 130 L HN 0.252 nan 8.230 nan 0.000 0.433 131 P HA -0.178 nan 4.420 nan 0.000 0.216 131 P C 1.479 178.805 177.300 0.044 0.000 1.150 131 P CA 1.233 64.358 63.100 0.041 0.000 0.837 131 P CB 0.074 31.791 31.700 0.028 0.000 0.786 132 Q N -1.160 118.672 119.800 0.054 0.000 2.245 132 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 132 Q C 2.022 178.065 176.000 0.070 0.000 0.955 132 Q CA 0.900 56.737 55.803 0.056 0.000 0.870 132 Q CB -0.734 28.038 28.738 0.057 0.000 0.945 132 Q HN 0.061 nan 8.270 nan 0.000 0.461 133 V N 0.332 120.297 119.914 0.086 0.000 2.358 133 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 133 V C 2.095 178.212 176.094 0.039 0.000 1.047 133 V CA 1.748 64.087 62.300 0.064 0.000 1.035 133 V CB -0.849 30.999 31.823 0.043 0.000 0.658 133 V HN 0.418 nan 8.190 nan 0.000 0.452 134 A N -0.599 122.245 122.820 0.041 0.000 1.898 134 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 134 A C 2.190 179.796 177.584 0.037 0.000 1.181 134 A CA 1.478 53.536 52.037 0.036 0.000 0.620 134 A CB -0.411 18.610 19.000 0.036 0.000 0.819 134 A HN 0.459 nan 8.150 nan 0.000 0.442 135 E N 0.070 120.292 120.200 0.036 0.000 2.110 135 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 135 E C 2.247 178.870 176.600 0.037 0.000 0.988 135 E CA 1.254 57.672 56.400 0.030 0.000 0.804 135 E CB -0.591 29.125 29.700 0.026 0.000 0.745 135 E HN 0.555 nan 8.360 nan 0.000 0.458 136 A N 0.376 123.226 122.820 0.049 0.000 2.015 136 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 136 A C 2.280 179.926 177.584 0.103 0.000 1.163 136 A CA 0.774 52.850 52.037 0.066 0.000 0.646 136 A CB -0.409 18.627 19.000 0.061 0.000 0.806 136 A HN 0.200 nan 8.150 nan 0.000 0.448 137 L N -1.493 119.782 121.223 0.087 0.000 2.209 137 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 137 L C 2.541 179.479 176.870 0.113 0.000 1.094 137 L CA 0.860 55.773 54.840 0.122 0.000 0.790 137 L CB -0.427 41.676 42.059 0.073 0.000 0.932 137 L HN 0.438 nan 8.230 nan 0.000 0.447 138 R N 0.989 121.520 120.500 0.050 0.000 2.162 138 R HA -0.234 4.106 4.340 -0.000 0.000 0.245 138 R C -0.532 175.739 176.300 -0.047 0.000 1.129 138 R CA 2.645 58.750 56.100 0.008 0.000 0.940 138 R CB -1.417 28.880 30.300 -0.005 0.000 0.875 138 R HN 0.231 nan 8.270 nan 0.000 0.437 139 P HA -0.132 nan 4.420 nan 0.000 0.221 139 P C 0.099 177.147 177.300 -0.421 0.000 1.145 139 P CA 1.425 64.331 63.100 -0.323 0.000 0.795 139 P CB -0.056 31.362 31.700 -0.471 0.000 0.775 140 H N -1.937 117.144 119.070 0.017 0.000 2.652 140 H HA 0.281 4.837 4.556 -0.000 0.000 0.274 140 H C 0.839 176.235 175.328 0.112 0.000 1.021 140 H CA 0.089 56.160 56.048 0.038 0.000 1.187 140 H CB 0.538 30.302 29.762 0.004 0.000 1.505 140 H HN 0.072 nan 8.280 nan 0.000 0.530 141 V N -1.832 118.159 119.914 0.128 0.000 3.160 141 V HA 0.309 4.429 4.120 -0.000 0.000 0.310 141 V C 0.482 176.561 176.094 -0.026 0.000 1.181 141 V CA -0.898 61.442 62.300 0.066 0.000 1.047 141 V CB 3.110 34.972 31.823 0.065 0.000 1.068 141 V HN -0.182 nan 8.190 nan 0.000 0.441 142 Q N 1.204 120.926 119.800 -0.130 0.000 2.259 142 Q HA 0.292 4.632 4.340 -0.000 0.000 0.201 142 Q C 0.871 176.883 176.000 0.020 0.000 0.938 142 Q CA 1.315 57.063 55.803 -0.092 0.000 0.872 142 Q CB 0.666 29.274 28.738 -0.217 0.000 0.971 142 Q HN 1.109 nan 8.270 nan 0.000 0.494 143 S N -1.629 114.101 115.700 0.049 0.000 2.615 143 S HA 0.653 5.123 4.470 -0.000 0.000 0.269 143 S C -0.959 173.696 174.600 0.093 0.000 1.161 143 S CA -0.893 57.380 58.200 0.122 0.000 0.817 143 S CB 1.991 65.325 63.200 0.223 0.000 1.131 143 S HN -0.145 nan 8.310 nan 0.000 0.467 144 V N 1.712 121.671 119.914 0.076 0.000 2.482 144 V HA 0.581 4.701 4.120 -0.000 0.000 0.295 144 V C -1.158 174.971 176.094 0.058 0.000 1.026 144 V CA -0.507 61.828 62.300 0.058 0.000 0.856 144 V CB 1.227 33.076 31.823 0.043 0.000 1.001 144 V HN 0.896 nan 8.190 nan 0.000 0.424 145 L N 4.738 125.996 121.223 0.059 0.000 2.295 145 L HA 0.882 5.222 4.340 -0.000 0.000 0.285 145 L C 0.435 177.338 176.870 0.054 0.000 1.035 145 L CA -0.134 54.741 54.840 0.058 0.000 0.806 145 L CB 1.522 43.615 42.059 0.057 0.000 1.214 145 L HN 0.733 nan 8.230 nan 0.000 0.426 146 A N 5.195 128.061 122.820 0.078 0.000 2.478 146 A HA 0.293 4.613 4.320 -0.000 0.000 0.327 146 A C 0.151 177.760 177.584 0.042 0.000 1.431 146 A CA -0.505 51.578 52.037 0.076 0.000 1.014 146 A CB -0.340 18.770 19.000 0.183 0.000 1.143 146 A HN 0.704 nan 8.150 nan 0.000 0.532 147 K N 2.944 123.338 120.400 -0.009 0.000 2.333 147 K HA 0.102 4.422 4.320 -0.000 0.000 0.241 147 K C -0.414 176.120 176.600 -0.111 0.000 1.193 147 K CA -0.250 56.016 56.287 -0.034 0.000 1.142 147 K CB -0.149 32.344 32.500 -0.012 0.000 1.731 147 K HN 0.584 nan 8.250 nan 0.000 0.344 148 N N 2.703 121.263 118.700 -0.233 0.000 2.575 148 N HA -0.030 4.710 4.740 -0.000 0.000 0.275 148 N C -0.580 174.739 175.510 -0.318 0.000 1.202 148 N CA 0.092 52.919 53.050 -0.372 0.000 0.945 148 N CB 0.600 38.632 38.487 -0.758 0.000 1.247 148 N HN 0.538 nan 8.380 nan 0.000 0.510 149 D N -1.167 119.134 120.400 -0.164 0.000 2.352 149 D HA 0.046 4.686 4.640 -0.000 0.000 0.236 149 D C 0.276 176.535 176.300 -0.069 0.000 1.148 149 D CA -0.379 53.564 54.000 -0.095 0.000 0.844 149 D CB -0.313 40.460 40.800 -0.046 0.000 0.933 149 D HN 0.037 nan 8.370 nan 0.000 0.507 150 A N 1.654 124.423 122.820 -0.085 0.000 2.404 150 A HA 0.263 4.583 4.320 -0.000 0.000 0.273 150 A C 1.775 179.338 177.584 -0.035 0.000 1.144 150 A CA -0.679 51.327 52.037 -0.052 0.000 0.806 150 A CB 0.569 19.537 19.000 -0.055 0.000 1.080 150 A HN 0.194 nan 8.150 nan 0.000 0.509 151 R N 3.045 123.534 120.500 -0.017 0.000 2.096 151 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 151 R C 1.362 177.660 176.300 -0.004 0.000 1.127 151 R CA 2.318 58.414 56.100 -0.006 0.000 0.968 151 R CB -2.322 27.979 30.300 0.001 0.000 0.861 151 R HN 0.738 nan 8.270 nan 0.000 0.440 152 T N -0.777 113.774 114.554 -0.005 0.000 2.849 152 T HA -0.061 4.289 4.350 -0.000 0.000 0.270 152 T C 1.948 176.650 174.700 0.004 0.000 1.066 152 T CA 1.114 63.213 62.100 -0.001 0.000 1.130 152 T CB -0.295 68.570 68.868 -0.005 0.000 0.864 152 T HN 0.332 nan 8.240 nan 0.000 0.481 153 R N 1.111 121.609 120.500 -0.002 0.000 2.200 153 R HA -0.066 4.274 4.340 -0.000 0.000 0.234 153 R C 2.559 178.875 176.300 0.028 0.000 1.127 153 R CA 1.546 57.651 56.100 0.008 0.000 0.989 153 R CB -0.236 30.049 30.300 -0.024 0.000 0.869 153 R HN 0.661 nan 8.270 nan 0.000 0.459 154 E N 0.362 120.574 120.200 0.019 0.000 2.028 154 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 154 E C 1.722 178.340 176.600 0.030 0.000 0.988 154 E CA 0.997 57.412 56.400 0.025 0.000 0.799 154 E CB -0.072 29.637 29.700 0.014 0.000 0.755 154 E HN 0.144 nan 8.360 nan 0.000 0.447 155 L N 0.886 122.124 121.223 0.025 0.000 2.349 155 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 155 L C 1.978 178.887 176.870 0.064 0.000 1.130 155 L CA 1.278 56.140 54.840 0.036 0.000 0.791 155 L CB -0.283 41.790 42.059 0.023 0.000 0.918 155 L HN 0.016 nan 8.230 nan 0.000 0.444 156 E N -0.075 120.159 120.200 0.057 0.000 2.463 156 E HA 0.223 4.573 4.350 -0.000 0.000 0.193 156 E C 1.338 177.992 176.600 0.089 0.000 1.041 156 E CA 0.455 56.897 56.400 0.071 0.000 0.879 156 E CB -0.078 29.673 29.700 0.085 0.000 0.997 156 E HN 0.273 nan 8.360 nan 0.000 0.478 157 G N 0.672 109.516 108.800 0.075 0.000 2.176 157 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 157 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 157 G C -0.140 174.830 174.900 0.117 0.000 1.024 157 G CA 0.573 45.716 45.100 0.072 0.000 0.755 157 G HN 0.247 nan 8.290 nan 0.000 0.507 158 L N -0.471 120.817 121.223 0.108 0.000 2.333 158 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 158 L C -2.073 174.849 176.870 0.087 0.000 1.010 158 L CA -2.587 52.323 54.840 0.116 0.000 0.818 158 L CB 2.109 44.233 42.059 0.109 0.000 1.306 158 L HN -0.132 nan 8.230 nan 0.000 0.430 159 P HA 0.175 nan 4.420 nan 0.000 0.274 159 P C -1.159 176.187 177.300 0.076 0.000 1.231 159 P CA -0.303 62.885 63.100 0.146 0.000 0.790 159 P CB 0.567 32.425 31.700 0.264 0.000 0.951 160 L N 4.022 125.288 121.223 0.071 0.000 2.276 160 L HA 0.416 4.756 4.340 -0.000 0.000 0.286 160 L C -0.379 176.532 176.870 0.068 0.000 1.024 160 L CA -0.374 54.459 54.840 -0.012 0.000 0.826 160 L CB -0.224 41.838 42.059 0.005 0.000 1.211 160 L HN 0.587 nan 8.230 nan 0.000 0.422 161 Y N 1.848 122.157 120.300 0.015 0.000 2.744 161 Y HA 0.742 5.292 4.550 -0.000 0.000 0.330 161 Y C -0.972 174.934 175.900 0.009 0.000 1.263 161 Y CA -1.441 56.666 58.100 0.012 0.000 1.065 161 Y CB 1.662 40.130 38.460 0.013 0.000 1.306 161 Y HN -0.053 nan 8.280 nan 0.000 0.459 162 V N 2.643 122.747 119.914 0.316 0.000 2.658 162 V HA 0.448 4.567 4.120 -0.000 0.000 0.259 162 V C -1.013 175.210 176.094 0.216 0.000 0.933 162 V CA -0.663 61.752 62.300 0.191 0.000 0.871 162 V CB 0.568 32.438 31.823 0.078 0.000 1.062 162 V HN 0.844 nan 8.190 nan 0.000 0.479 163 R N 2.647 123.328 120.500 0.302 0.000 2.740 163 R HA 0.826 5.166 4.340 -0.000 0.000 0.282 163 R C -3.163 173.203 176.300 0.111 0.000 0.969 163 R CA -2.223 53.962 56.100 0.141 0.000 0.918 163 R CB 1.681 31.998 30.300 0.030 0.000 1.175 163 R HN 0.179 nan 8.270 nan 0.000 0.464 164 P HA -0.020 nan 4.420 nan 0.000 0.268 164 P C -0.236 177.093 177.300 0.049 0.000 1.208 164 P CA -0.176 62.952 63.100 0.048 0.000 0.777 164 P CB 0.650 32.367 31.700 0.028 0.000 0.875 165 L N 0.870 122.123 121.223 0.050 0.000 2.685 165 L HA 0.340 4.680 4.340 -0.000 0.000 0.235 165 L C -0.098 176.793 176.870 0.035 0.000 1.070 165 L CA 0.178 55.045 54.840 0.046 0.000 0.888 165 L CB 0.450 42.542 42.059 0.056 0.000 1.203 165 L HN 0.257 nan 8.230 nan 0.000 0.499 166 L N -0.865 120.380 121.223 0.037 0.000 2.591 166 L HA 0.675 5.015 4.340 -0.000 0.000 0.257 166 L C -0.178 176.716 176.870 0.040 0.000 0.935 166 L CA 0.491 55.351 54.840 0.033 0.000 0.873 166 L CB 1.467 43.545 42.059 0.032 0.000 1.397 166 L HN 0.153 nan 8.230 nan 0.000 0.414 167 G N 2.647 111.467 108.800 0.033 0.000 2.692 167 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.248 167 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.248 167 G C -0.456 174.468 174.900 0.039 0.000 1.340 167 G CA 0.284 45.408 45.100 0.040 0.000 0.896 167 G HN 1.056 nan 8.290 nan 0.000 0.570 168 E N -0.464 119.763 120.200 0.045 0.000 2.046 168 E HA 0.435 4.785 4.350 -0.000 0.000 0.279 168 E C 0.023 176.625 176.600 0.003 0.000 0.989 168 E CA -0.631 55.781 56.400 0.021 0.000 0.798 168 E CB 0.794 30.503 29.700 0.014 0.000 1.086 168 E HN 0.427 nan 8.360 nan 0.000 0.399 169 V N 7.285 127.187 119.914 -0.020 0.000 2.427 169 V HA 0.163 4.283 4.120 -0.000 0.000 0.268 169 V C -1.847 174.158 176.094 -0.148 0.000 1.046 169 V CA -1.339 60.916 62.300 -0.076 0.000 0.970 169 V CB 0.586 32.395 31.823 -0.023 0.000 1.001 169 V HN 0.725 nan 8.190 nan 0.000 0.476 170 P HA 0.117 nan 4.420 nan 0.000 0.271 170 P C 0.778 177.981 177.300 -0.161 0.000 1.238 170 P CA -0.152 62.794 63.100 -0.257 0.000 0.794 170 P CB 0.898 32.343 31.700 -0.424 0.000 0.959 171 E N -0.218 119.914 120.200 -0.113 0.000 2.140 171 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 171 E C 0.502 177.052 176.600 -0.083 0.000 0.973 171 E CA 0.755 57.108 56.400 -0.078 0.000 0.829 171 E CB 0.241 29.908 29.700 -0.054 0.000 0.781 171 E HN 0.229 nan 8.360 nan 0.000 0.466 172 R N -0.471 119.972 120.500 -0.095 0.000 2.740 172 R HA 0.443 4.782 4.340 -0.000 0.000 0.273 172 R C -1.779 174.462 176.300 -0.098 0.000 0.998 172 R CA -0.507 55.541 56.100 -0.087 0.000 0.900 172 R CB 2.385 32.650 30.300 -0.058 0.000 1.223 172 R HN -0.179 nan 8.270 nan 0.000 0.466 173 V N 1.916 121.776 119.914 -0.090 0.000 2.841 173 V HA 0.398 4.518 4.120 -0.000 0.000 0.310 173 V C -0.834 175.212 176.094 -0.080 0.000 1.090 173 V CA -0.922 61.340 62.300 -0.063 0.000 0.930 173 V CB 2.108 33.923 31.823 -0.014 0.000 1.014 173 V HN 0.649 nan 8.190 nan 0.000 0.425 174 Q N 2.056 121.815 119.800 -0.070 0.000 2.331 174 Q HA 0.584 4.924 4.340 -0.000 0.000 0.257 174 Q C -1.153 174.742 176.000 -0.174 0.000 0.957 174 Q CA -0.334 55.399 55.803 -0.115 0.000 0.923 174 Q CB 2.021 30.718 28.738 -0.069 0.000 1.212 174 Q HN 0.607 nan 8.270 nan 0.000 0.443 175 V N 3.255 122.941 119.914 -0.378 0.000 2.435 175 V HA 0.177 4.297 4.120 -0.000 0.000 0.290 175 V C -0.252 175.592 176.094 -0.415 0.000 1.030 175 V CA -0.756 61.275 62.300 -0.448 0.000 0.881 175 V CB 1.713 33.087 31.823 -0.749 0.000 0.983 175 V HN 0.666 nan 8.190 nan 0.000 0.445 176 Q N 3.432 123.126 119.800 -0.177 0.000 2.274 176 Q HA 0.364 4.704 4.340 -0.000 0.000 0.256 176 Q C -0.434 175.555 176.000 -0.018 0.000 0.927 176 Q CA 0.219 55.977 55.803 -0.075 0.000 0.939 176 Q CB 0.994 29.727 28.738 -0.008 0.000 1.201 176 Q HN 0.798 nan 8.270 nan 0.000 0.426 177 E N 3.739 123.969 120.200 0.049 0.000 2.460 177 E HA 0.462 4.811 4.350 -0.000 0.000 0.249 177 E C -0.029 176.688 176.600 0.195 0.000 0.962 177 E CA 0.108 56.598 56.400 0.150 0.000 0.787 177 E CB 0.005 29.891 29.700 0.310 0.000 1.341 177 E HN 0.906 nan 8.360 nan 0.000 0.407 178 G N 4.410 113.297 108.800 0.145 0.000 2.561 178 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.289 178 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.289 178 G C 0.551 175.506 174.900 0.092 0.000 1.169 178 G CA 0.267 45.453 45.100 0.143 0.000 0.980 178 G HN 0.609 nan 8.290 nan 0.000 0.550 179 R N 0.445 120.994 120.500 0.081 0.000 2.356 179 R HA 0.411 4.751 4.340 -0.000 0.000 0.234 179 R C 0.609 176.895 176.300 -0.024 0.000 0.929 179 R CA 0.784 56.901 56.100 0.028 0.000 1.084 179 R CB 0.196 30.515 30.300 0.033 0.000 1.105 179 R HN 0.929 nan 8.270 nan 0.000 0.515 180 V N -2.840 117.040 119.914 -0.056 0.000 3.130 180 V HA 0.608 4.728 4.120 -0.000 0.000 0.310 180 V C -0.894 175.183 176.094 -0.028 0.000 1.158 180 V CA -1.406 60.839 62.300 -0.093 0.000 1.029 180 V CB 2.528 34.193 31.823 -0.264 0.000 1.057 180 V HN 0.003 nan 8.190 nan 0.000 0.436 181 R N 1.310 121.802 120.500 -0.013 0.000 2.750 181 R HA 0.792 5.132 4.340 -0.000 0.000 0.281 181 R C -1.670 174.665 176.300 0.058 0.000 0.972 181 R CA -0.578 55.505 56.100 -0.028 0.000 0.912 181 R CB 2.231 32.502 30.300 -0.047 0.000 1.187 181 R HN 0.971 nan 8.270 nan 0.000 0.464 182 Y N -1.062 119.232 120.300 -0.010 0.000 2.615 182 Y HA 0.604 5.154 4.550 -0.000 0.000 0.341 182 Y C -1.513 174.375 175.900 -0.019 0.000 1.089 182 Y CA -1.482 56.612 58.100 -0.010 0.000 1.049 182 Y CB 1.225 39.686 38.460 0.001 0.000 1.296 182 Y HN 0.341 nan 8.280 nan 0.000 0.470 183 L N 2.873 124.227 121.223 0.219 0.000 2.295 183 L HA 0.646 4.986 4.340 -0.000 0.000 0.285 183 L C -0.853 176.085 176.870 0.113 0.000 1.035 183 L CA -1.197 53.697 54.840 0.089 0.000 0.806 183 L CB 1.667 43.753 42.059 0.045 0.000 1.214 183 L HN 0.561 nan 8.230 nan 0.000 0.426 184 V N 2.443 122.346 119.914 -0.017 0.000 2.370 184 V HA 0.215 4.335 4.120 -0.000 0.000 0.283 184 V C -0.318 175.686 176.094 -0.150 0.000 1.023 184 V CA -0.541 61.680 62.300 -0.131 0.000 0.857 184 V CB 1.712 33.328 31.823 -0.344 0.000 0.985 184 V HN 0.613 nan 8.190 nan 0.000 0.443 185 D N 4.604 124.924 120.400 -0.134 0.000 2.347 185 D HA 0.312 4.952 4.640 -0.000 0.000 0.235 185 D C 0.569 176.802 176.300 -0.112 0.000 1.149 185 D CA -0.123 53.817 54.000 -0.100 0.000 0.850 185 D CB 1.657 42.421 40.800 -0.060 0.000 1.061 185 D HN 0.442 nan 8.370 nan 0.000 0.487 186 L N 3.017 124.184 121.223 -0.094 0.000 2.585 186 L HA 0.214 4.554 4.340 -0.000 0.000 0.226 186 L C 1.300 178.146 176.870 -0.040 0.000 1.113 186 L CA -0.183 54.618 54.840 -0.064 0.000 0.876 186 L CB 0.105 42.130 42.059 -0.056 0.000 1.072 186 L HN 0.082 nan 8.230 nan 0.000 0.468 187 R N 1.581 122.056 120.500 -0.042 0.000 2.585 187 R HA 0.214 4.554 4.340 -0.000 0.000 0.275 187 R C 0.498 176.789 176.300 -0.015 0.000 1.018 187 R CA -0.105 55.979 56.100 -0.026 0.000 1.072 187 R CB 0.459 30.745 30.300 -0.024 0.000 0.953 187 R HN 0.101 nan 8.270 nan 0.000 0.419 188 A N 1.876 124.694 122.820 -0.004 0.000 2.540 188 A HA 0.347 4.667 4.320 -0.000 0.000 0.239 188 A C 1.375 178.960 177.584 0.002 0.000 1.061 188 A CA 0.702 52.741 52.037 0.004 0.000 0.758 188 A CB -0.119 18.890 19.000 0.016 0.000 0.991 188 A HN 0.952 nan 8.150 nan 0.000 0.502 189 G N 0.746 109.547 108.800 0.002 0.000 2.176 189 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.253 189 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.253 189 G C 0.161 175.062 174.900 0.001 0.000 0.979 189 G CA 0.533 45.635 45.100 0.003 0.000 0.641 189 G HN 0.885 nan 8.290 nan 0.000 0.530 190 Q N 0.066 119.862 119.800 -0.007 0.000 2.241 190 Q HA 0.593 4.933 4.340 -0.000 0.000 0.262 190 Q C 0.073 176.062 176.000 -0.018 0.000 1.014 190 Q CA -0.510 55.288 55.803 -0.009 0.000 0.885 190 Q CB 1.035 29.764 28.738 -0.015 0.000 1.311 190 Q HN 0.414 nan 8.270 nan 0.000 0.461 191 K N 0.797 121.189 120.400 -0.012 0.000 2.227 191 K HA 0.278 4.597 4.320 -0.000 0.000 0.280 191 K C -0.395 176.163 176.600 -0.070 0.000 1.041 191 K CA -0.221 56.051 56.287 -0.025 0.000 0.905 191 K CB 0.734 33.246 32.500 0.020 0.000 1.068 191 K HN 0.361 nan 8.250 nan 0.000 0.470 192 T N 2.323 116.797 114.554 -0.132 0.000 2.751 192 T HA -0.006 4.344 4.350 -0.000 0.000 0.279 192 T C 1.310 175.851 174.700 -0.265 0.000 0.941 192 T CA 0.082 62.053 62.100 -0.215 0.000 1.192 192 T CB 0.180 68.901 68.868 -0.246 0.000 0.883 192 T HN 0.765 nan 8.240 nan 0.000 0.534 193 G N 2.883 111.591 108.800 -0.155 0.000 3.079 193 G HA2 0.325 4.285 3.960 -0.000 0.000 0.205 193 G HA3 0.325 4.285 3.960 -0.000 0.000 0.205 193 G C 0.407 175.210 174.900 -0.161 0.000 1.203 193 G CA 0.035 45.093 45.100 -0.071 0.000 0.929 193 G HN 0.857 nan 8.290 nan 0.000 0.498 194 A N -0.278 122.332 122.820 -0.351 0.000 2.374 194 A HA 0.776 5.096 4.320 -0.000 0.000 0.317 194 A C -1.365 175.889 177.584 -0.551 0.000 1.094 194 A CA -0.799 51.049 52.037 -0.313 0.000 0.765 194 A CB 1.221 20.206 19.000 -0.024 0.000 1.268 194 A HN 0.233 nan 8.150 nan 0.000 0.438 195 Y N 2.899 123.086 120.300 -0.187 0.000 2.490 195 Y HA 0.252 4.802 4.550 -0.000 0.000 0.346 195 Y C 0.933 176.736 175.900 -0.162 0.000 1.023 195 Y CA -0.587 57.407 58.100 -0.177 0.000 1.142 195 Y CB 0.402 38.686 38.460 -0.293 0.000 1.126 195 Y HN 0.618 nan 8.280 nan 0.000 0.647 196 L N 0.035 121.273 121.223 0.024 0.000 2.137 196 L HA -0.298 4.042 4.340 -0.000 0.000 0.213 196 L C 1.666 178.455 176.870 -0.134 0.000 1.085 196 L CA 1.948 56.807 54.840 0.031 0.000 0.760 196 L CB -0.258 41.904 42.059 0.172 0.000 0.893 196 L HN 0.534 nan 8.230 nan 0.000 0.434 197 D N -1.432 118.731 120.400 -0.396 0.000 2.378 197 D HA -0.183 4.457 4.640 -0.000 0.000 0.222 197 D C 1.757 177.857 176.300 -0.333 0.000 0.980 197 D CA 0.700 54.291 54.000 -0.682 0.000 0.907 197 D CB -0.199 40.121 40.800 -0.801 0.000 0.899 197 D HN 0.320 nan 8.370 nan 0.000 0.527 198 Q N -0.386 119.271 119.800 -0.240 0.000 2.247 198 Q HA 0.137 4.477 4.340 -0.000 0.000 0.211 198 Q C 1.688 177.489 176.000 -0.332 0.000 0.861 198 Q CA -0.228 55.416 55.803 -0.266 0.000 0.949 198 Q CB 0.546 29.142 28.738 -0.237 0.000 1.115 198 Q HN 0.405 nan 8.270 nan 0.000 0.507 199 R N 1.638 121.996 120.500 -0.237 0.000 2.122 199 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 199 R C 1.223 177.394 176.300 -0.215 0.000 1.129 199 R CA 1.945 57.927 56.100 -0.198 0.000 0.925 199 R CB 0.119 30.349 30.300 -0.116 0.000 0.850 199 R HN 0.251 nan 8.270 nan 0.000 0.431 200 E N -0.376 119.733 120.200 -0.152 0.000 2.268 200 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 200 E C 1.740 178.238 176.600 -0.170 0.000 0.995 200 E CA 0.740 57.075 56.400 -0.109 0.000 0.836 200 E CB 0.007 29.690 29.700 -0.027 0.000 0.763 200 E HN 0.429 nan 8.360 nan 0.000 0.491 201 N N 0.665 119.173 118.700 -0.321 0.000 2.250 201 N HA -0.045 4.695 4.740 -0.000 0.000 0.181 201 N C 1.599 176.948 175.510 -0.269 0.000 1.017 201 N CA 0.665 53.425 53.050 -0.483 0.000 0.866 201 N CB -0.035 37.780 38.487 -1.119 0.000 0.985 201 N HN 0.137 nan 8.380 nan 0.000 0.429 202 R N 0.762 120.971 120.500 -0.485 0.000 2.081 202 R HA 0.045 4.385 4.340 -0.000 0.000 0.235 202 R C 2.264 178.237 176.300 -0.545 0.000 1.131 202 R CA 0.716 56.431 56.100 -0.641 0.000 0.960 202 R CB -0.442 29.279 30.300 -0.965 0.000 0.856 202 R HN 0.181 nan 8.270 nan 0.000 0.436 203 L N -0.193 120.739 121.223 -0.486 0.000 2.079 203 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 203 L C 1.543 178.394 176.870 -0.031 0.000 1.081 203 L CA 0.805 55.489 54.840 -0.260 0.000 0.752 203 L CB -0.522 41.478 42.059 -0.099 0.000 0.896 203 L HN 0.166 nan 8.230 nan 0.000 0.433 207 R N 0.588 120.868 120.500 -0.367 0.000 2.310 207 R HA 0.206 4.546 4.340 -0.000 0.000 0.202 207 R C -0.160 175.775 176.300 -0.609 0.000 0.933 207 R CA 0.193 55.962 56.100 -0.551 0.000 1.054 207 R CB -0.093 29.723 30.300 -0.806 0.000 0.985 207 R HN -0.176 nan 8.270 nan 0.000 0.489 208 F N 1.403 121.372 119.950 0.032 0.000 2.480 208 F HA 0.537 5.064 4.527 -0.000 0.000 0.329 208 F C 0.534 176.241 175.800 -0.155 0.000 1.091 208 F CA -1.124 56.909 58.000 0.056 0.000 0.972 208 F CB 1.274 40.438 39.000 0.274 0.000 1.150 208 F HN -0.235 nan 8.300 nan 0.000 0.467 209 R N 1.179 121.561 120.500 -0.198 0.000 2.807 209 R HA 0.884 5.224 4.340 -0.000 0.000 0.276 209 R C -0.241 175.523 176.300 -0.893 0.000 0.979 209 R CA -1.102 54.612 56.100 -0.643 0.000 0.928 209 R CB 1.869 32.006 30.300 -0.272 0.000 1.191 209 R HN 0.897 nan 8.270 nan 0.000 0.471 210 G N 0.648 108.793 108.800 -1.091 0.000 2.321 210 G HA2 0.114 4.074 3.960 -0.000 0.000 0.296 210 G HA3 0.114 4.074 3.960 -0.000 0.000 0.296 210 G C -0.381 174.520 174.900 0.003 0.000 1.287 210 G CA -0.444 44.419 45.100 -0.396 0.000 0.846 210 G HN 0.373 nan 8.290 nan 0.000 0.508 211 E N -0.149 120.175 120.200 0.206 0.000 2.021 211 E HA 0.242 4.592 4.350 -0.000 0.000 0.191 211 E C 1.030 177.819 176.600 0.315 0.000 0.971 211 E CA 0.890 57.407 56.400 0.196 0.000 0.825 211 E CB 0.090 29.851 29.700 0.101 0.000 0.788 211 E HN 0.379 nan 8.360 nan 0.000 0.460 212 R N -0.474 120.208 120.500 0.302 0.000 2.637 212 R HA 0.742 5.081 4.340 -0.000 0.000 0.291 212 R C -1.157 175.293 176.300 0.250 0.000 0.963 212 R CA -0.636 55.628 56.100 0.275 0.000 0.901 212 R CB 2.161 32.546 30.300 0.142 0.000 1.160 212 R HN 0.119 nan 8.270 nan 0.000 0.457 213 A N 2.832 125.684 122.820 0.054 0.000 2.371 213 A HA 0.542 4.862 4.320 -0.000 0.000 0.311 213 A C -1.488 175.995 177.584 -0.168 0.000 1.068 213 A CA -0.675 51.199 52.037 -0.271 0.000 0.744 213 A CB 1.444 19.945 19.000 -0.833 0.000 1.239 213 A HN 0.524 nan 8.150 nan 0.000 0.435 214 L N 1.412 122.437 121.223 -0.330 0.000 2.313 214 L HA 0.761 5.101 4.340 -0.000 0.000 0.283 214 L C -1.031 175.660 176.870 -0.299 0.000 1.013 214 L CA -0.143 54.422 54.840 -0.457 0.000 0.816 214 L CB 1.631 43.147 42.059 -0.904 0.000 1.236 214 L HN 0.606 nan 8.230 nan 0.000 0.419 215 D N 4.099 124.372 120.400 -0.212 0.000 2.458 215 D HA 0.321 4.961 4.640 -0.000 0.000 0.258 215 D C -0.895 175.318 176.300 -0.145 0.000 1.134 215 D CA -0.205 53.715 54.000 -0.134 0.000 0.915 215 D CB 0.836 41.620 40.800 -0.026 0.000 1.028 215 D HN 0.362 nan 8.370 nan 0.000 0.508 216 V N 4.252 124.070 119.914 -0.159 0.000 2.637 216 V HA 0.205 4.325 4.120 -0.000 0.000 0.296 216 V C 0.379 176.460 176.094 -0.022 0.000 1.046 216 V CA -0.240 61.937 62.300 -0.206 0.000 1.066 216 V CB -0.320 31.402 31.823 -0.168 0.000 0.968 216 V HN 0.623 nan 8.190 nan 0.000 0.483 217 F N 2.835 122.623 119.950 -0.271 0.000 2.807 217 F HA -0.216 4.311 4.527 -0.000 0.000 0.297 217 F C 1.596 177.134 175.800 -0.437 0.000 1.024 217 F CA 0.705 58.448 58.000 -0.428 0.000 1.008 217 F CB -1.804 36.973 39.000 -0.372 0.000 1.142 217 F HN 0.680 nan 8.300 nan 0.000 0.829 218 S N -1.316 114.265 115.700 -0.199 0.000 2.496 218 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 218 S C 0.959 175.601 174.600 0.069 0.000 0.996 218 S CA 0.774 58.973 58.200 -0.002 0.000 0.927 218 S CB -0.032 63.166 63.200 -0.003 0.000 0.774 218 S HN 0.651 nan 8.310 nan 0.000 0.524 219 Y N 1.005 121.286 120.300 -0.032 0.000 2.887 219 Y HA -0.426 4.124 4.550 -0.000 0.000 0.467 219 Y C 1.853 177.751 175.900 -0.004 0.000 1.191 219 Y CA 0.288 58.350 58.100 -0.062 0.000 2.539 219 Y CB -1.848 36.420 38.460 -0.320 0.000 1.225 219 Y HN 0.321 nan 8.280 nan 0.000 0.630 220 A N 1.662 124.627 122.820 0.241 0.000 2.265 220 A HA 0.412 4.732 4.320 -0.000 0.000 0.213 220 A C 1.767 179.407 177.584 0.093 0.000 1.255 220 A CA 1.311 53.438 52.037 0.151 0.000 0.862 220 A CB -1.576 17.522 19.000 0.163 0.000 0.852 220 A HN 2.090 nan 8.150 nan 0.000 0.484 221 G N -1.712 107.151 108.800 0.104 0.000 2.198 221 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 221 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 221 G C 1.185 176.138 174.900 0.088 0.000 1.025 221 G CA 0.619 45.777 45.100 0.095 0.000 0.769 221 G HN 1.249 nan 8.290 nan 0.000 0.507 222 G N -0.268 108.554 108.800 0.037 0.000 2.440 222 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.218 222 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.218 222 G C 1.428 176.347 174.900 0.031 0.000 1.154 222 G CA 1.525 46.596 45.100 -0.048 0.000 0.767 222 G HN 0.482 nan 8.290 nan 0.000 0.552 223 F N 1.624 121.643 119.950 0.116 0.000 2.146 223 F HA 0.139 4.666 4.527 -0.000 0.000 0.298 223 F C 3.024 178.913 175.800 0.148 0.000 1.096 223 F CA 0.799 58.884 58.000 0.142 0.000 1.275 223 F CB -0.429 38.636 39.000 0.110 0.000 1.008 223 F HN 0.237 nan 8.300 nan 0.000 0.480 224 A N 0.577 123.558 122.820 0.269 0.000 1.892 224 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 224 A C 2.244 179.914 177.584 0.142 0.000 1.188 224 A CA 1.835 53.970 52.037 0.162 0.000 0.631 224 A CB -1.238 17.824 19.000 0.103 0.000 0.822 224 A HN 0.391 nan 8.150 nan 0.000 0.447 225 L N -1.379 119.908 121.223 0.107 0.000 2.013 225 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 225 L C 2.682 179.551 176.870 -0.002 0.000 1.073 225 L CA 1.748 56.601 54.840 0.021 0.000 0.753 225 L CB -1.056 40.968 42.059 -0.058 0.000 0.890 225 L HN 0.495 nan 8.230 nan 0.000 0.432 226 H N -0.128 119.003 119.070 0.103 0.000 2.389 226 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 226 H C 2.445 177.884 175.328 0.185 0.000 1.081 226 H CA 1.342 57.464 56.048 0.123 0.000 1.345 226 H CB 0.041 29.866 29.762 0.105 0.000 1.393 226 H HN 0.331 nan 8.280 nan 0.000 0.520 227 L N 0.379 121.799 121.223 0.328 0.000 2.093 227 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 227 L C 2.818 179.898 176.870 0.350 0.000 1.085 227 L CA 0.691 55.737 54.840 0.342 0.000 0.755 227 L CB -0.416 41.737 42.059 0.157 0.000 0.904 227 L HN 0.179 nan 8.230 nan 0.000 0.435 228 A N -0.047 122.904 122.820 0.219 0.000 2.139 228 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 228 A C 2.145 179.831 177.584 0.170 0.000 1.159 228 A CA 1.322 53.468 52.037 0.181 0.000 0.662 228 A CB -0.635 18.431 19.000 0.110 0.000 0.796 228 A HN 0.443 nan 8.150 nan 0.000 0.463 229 L N -2.007 119.319 121.223 0.171 0.000 2.418 229 L HA 0.089 4.429 4.340 -0.000 0.000 0.218 229 L C 2.164 179.103 176.870 0.115 0.000 1.125 229 L CA 0.743 55.655 54.840 0.119 0.000 0.835 229 L CB -0.012 42.106 42.059 0.097 0.000 0.953 229 L HN 0.470 nan 8.230 nan 0.000 0.454 230 G N -1.485 107.428 108.800 0.189 0.000 3.104 230 G HA2 0.213 4.173 3.960 -0.000 0.000 0.237 230 G HA3 0.213 4.173 3.960 -0.000 0.000 0.237 230 G C -0.043 174.747 174.900 -0.183 0.000 1.035 230 G CA -0.092 45.018 45.100 0.016 0.000 0.844 230 G HN 0.011 nan 8.290 nan 0.000 0.531 231 F N -0.371 119.635 119.950 0.093 0.000 2.546 231 F HA 0.559 5.086 4.527 -0.000 0.000 0.320 231 F C 1.315 177.157 175.800 0.071 0.000 1.076 231 F CA -1.124 56.929 58.000 0.089 0.000 0.928 231 F CB 1.863 40.928 39.000 0.108 0.000 1.189 231 F HN -0.244 nan 8.300 nan 0.000 0.465 232 R N 0.280 120.912 120.500 0.219 0.000 2.091 232 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 232 R C 0.047 176.438 176.300 0.150 0.000 1.136 232 R CA 1.405 57.589 56.100 0.141 0.000 0.959 232 R CB 0.166 30.526 30.300 0.101 0.000 0.856 232 R HN 0.675 nan 8.270 nan 0.000 0.437 233 E N -0.114 120.199 120.200 0.189 0.000 2.292 233 E HA 0.293 4.643 4.350 -0.000 0.000 0.272 233 E C -1.771 174.917 176.600 0.148 0.000 0.881 233 E CA -0.485 56.003 56.400 0.146 0.000 0.754 233 E CB 2.312 32.082 29.700 0.116 0.000 1.201 233 E HN -0.184 nan 8.360 nan 0.000 0.425 234 V N 3.828 123.803 119.914 0.102 0.000 2.588 234 V HA 0.358 4.478 4.120 -0.000 0.000 0.304 234 V C -0.569 175.548 176.094 0.038 0.000 1.042 234 V CA -0.802 61.528 62.300 0.049 0.000 0.877 234 V CB 1.910 33.761 31.823 0.047 0.000 0.996 234 V HN 0.499 nan 8.190 nan 0.000 0.425 235 V N 4.355 124.273 119.914 0.007 0.000 2.334 235 V HA 0.655 4.774 4.120 -0.000 0.000 0.281 235 V C 0.491 176.547 176.094 -0.063 0.000 1.016 235 V CA -0.487 61.806 62.300 -0.011 0.000 0.832 235 V CB 1.537 33.364 31.823 0.006 0.000 0.999 235 V HN 0.977 nan 8.190 nan 0.000 0.439 236 A N 5.671 128.466 122.820 -0.042 0.000 2.276 236 A HA 0.740 5.060 4.320 -0.000 0.000 0.300 236 A C -0.394 177.132 177.584 -0.095 0.000 1.235 236 A CA -0.281 51.722 52.037 -0.056 0.000 0.867 236 A CB 0.786 19.777 19.000 -0.014 0.000 1.137 236 A HN 0.609 nan 8.150 nan 0.000 0.527 237 V N 2.648 122.469 119.914 -0.155 0.000 2.667 237 V HA 0.658 4.778 4.120 -0.000 0.000 0.308 237 V C -0.401 175.533 176.094 -0.265 0.000 1.048 237 V CA -0.243 61.932 62.300 -0.208 0.000 0.928 237 V CB 2.012 33.672 31.823 -0.271 0.000 1.004 237 V HN 1.105 nan 8.190 nan 0.000 0.444 238 D N 0.317 120.568 120.400 -0.250 0.000 2.720 238 D HA 0.263 4.903 4.640 -0.000 0.000 0.239 238 D C 0.385 176.571 176.300 -0.190 0.000 1.218 238 D CA 0.120 53.960 54.000 -0.266 0.000 0.748 238 D CB 1.871 42.548 40.800 -0.206 0.000 1.387 238 D HN 0.515 nan 8.370 nan 0.000 0.438 239 S N 0.026 115.628 115.700 -0.164 0.000 2.558 239 S HA 0.145 4.615 4.470 -0.000 0.000 0.217 239 S C 0.705 175.277 174.600 -0.048 0.000 0.975 239 S CA -0.168 57.977 58.200 -0.092 0.000 0.912 239 S CB 0.264 63.431 63.200 -0.056 0.000 0.776 239 S HN 0.230 nan 8.310 nan 0.000 0.526 240 S N 0.676 116.348 115.700 -0.046 0.000 2.422 240 S HA 0.703 5.173 4.470 -0.000 0.000 0.308 240 S C 1.094 175.688 174.600 -0.012 0.000 1.097 240 S CA -0.237 57.956 58.200 -0.012 0.000 1.099 240 S CB 1.005 64.213 63.200 0.013 0.000 0.976 240 S HN 0.464 nan 8.310 nan 0.000 0.471 241 A N 4.294 127.111 122.820 -0.005 0.000 1.902 241 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 241 A C 1.934 179.523 177.584 0.009 0.000 1.181 241 A CA 2.042 54.078 52.037 -0.002 0.000 0.623 241 A CB -0.947 18.053 19.000 0.001 0.000 0.818 241 A HN 0.891 nan 8.150 nan 0.000 0.443 242 E N 0.670 120.881 120.200 0.018 0.000 2.049 242 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 242 E C 1.959 178.582 176.600 0.039 0.000 1.007 242 E CA 2.194 58.611 56.400 0.029 0.000 0.809 242 E CB -0.632 29.090 29.700 0.036 0.000 0.749 242 E HN 0.472 nan 8.360 nan 0.000 0.450 243 A N 0.645 123.492 122.820 0.044 0.000 1.845 243 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 243 A C 2.469 180.077 177.584 0.039 0.000 1.195 243 A CA 1.693 53.766 52.037 0.061 0.000 0.616 243 A CB -0.983 18.048 19.000 0.052 0.000 0.832 243 A HN 0.359 nan 8.150 nan 0.000 0.443 244 L N -0.997 120.232 121.223 0.011 0.000 2.127 244 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 244 L C 2.757 179.637 176.870 0.016 0.000 1.089 244 L CA 1.765 56.607 54.840 0.004 0.000 0.757 244 L CB -0.483 41.567 42.059 -0.015 0.000 0.899 244 L HN 0.489 nan 8.230 nan 0.000 0.434 245 R N -0.014 120.498 120.500 0.020 0.000 2.075 245 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 245 R C 2.522 178.840 176.300 0.030 0.000 1.126 245 R CA 1.024 57.136 56.100 0.022 0.000 0.963 245 R CB 0.011 30.323 30.300 0.020 0.000 0.858 245 R HN 0.170 nan 8.270 nan 0.000 0.435 246 R N 0.196 120.720 120.500 0.040 0.000 2.096 246 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 246 R C 2.127 178.459 176.300 0.054 0.000 1.127 246 R CA 1.331 57.462 56.100 0.051 0.000 0.968 246 R CB -0.708 29.633 30.300 0.069 0.000 0.861 246 R HN 0.335 nan 8.270 nan 0.000 0.440 247 A N 1.210 124.060 122.820 0.051 0.000 1.898 247 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 247 A C 2.127 179.735 177.584 0.040 0.000 1.181 247 A CA 1.390 53.456 52.037 0.048 0.000 0.620 247 A CB -0.385 18.639 19.000 0.039 0.000 0.819 247 A HN 0.349 nan 8.150 nan 0.000 0.442 248 E N -0.219 120.000 120.200 0.031 0.000 2.106 248 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 248 E C 2.018 178.635 176.600 0.029 0.000 0.984 248 E CA 1.347 57.764 56.400 0.027 0.000 0.806 248 E CB -0.154 29.558 29.700 0.020 0.000 0.750 248 E HN 0.780 nan 8.360 nan 0.000 0.458 249 E N 0.158 120.377 120.200 0.031 0.000 2.077 249 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 249 E C 1.886 178.509 176.600 0.038 0.000 0.989 249 E CA 1.070 57.488 56.400 0.031 0.000 0.800 249 E CB 0.012 29.730 29.700 0.030 0.000 0.746 249 E HN 0.178 nan 8.360 nan 0.000 0.452 250 N N 0.448 119.178 118.700 0.051 0.000 2.244 250 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 250 N C 1.638 177.176 175.510 0.047 0.000 1.016 250 N CA 1.183 54.272 53.050 0.064 0.000 0.866 250 N CB -0.301 38.239 38.487 0.089 0.000 0.980 250 N HN 0.266 nan 8.380 nan 0.000 0.430 251 A N 1.894 124.739 122.820 0.040 0.000 1.877 251 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 251 A C 2.241 179.841 177.584 0.027 0.000 1.186 251 A CA 1.045 53.102 52.037 0.033 0.000 0.620 251 A CB -0.320 18.700 19.000 0.034 0.000 0.822 251 A HN 0.239 nan 8.150 nan 0.000 0.443 252 R N -1.049 119.467 120.500 0.026 0.000 2.073 252 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 252 R C 2.009 178.320 176.300 0.018 0.000 1.134 252 R CA 1.371 57.483 56.100 0.021 0.000 0.952 252 R CB -0.856 29.455 30.300 0.019 0.000 0.850 252 R HN 0.468 nan 8.270 nan 0.000 0.433 253 L N 1.877 123.112 121.223 0.021 0.000 2.351 253 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 253 L C 0.980 177.858 176.870 0.012 0.000 1.127 253 L CA 1.709 56.559 54.840 0.016 0.000 0.786 253 L CB -0.354 41.718 42.059 0.021 0.000 0.914 253 L HN 0.170 nan 8.230 nan 0.000 0.443 254 N N -0.486 118.222 118.700 0.014 0.000 2.205 254 N HA 0.158 4.898 4.740 -0.000 0.000 0.201 254 N C 0.876 176.392 175.510 0.011 0.000 1.128 254 N CA 0.755 53.810 53.050 0.008 0.000 0.867 254 N CB 0.537 39.026 38.487 0.003 0.000 0.996 254 N HN 0.349 nan 8.380 nan 0.000 0.503 255 G N 1.755 110.564 108.800 0.014 0.000 2.324 255 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.292 255 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.292 255 G C -0.406 174.506 174.900 0.020 0.000 1.079 255 G CA -0.022 45.088 45.100 0.016 0.000 1.026 255 G HN 0.242 nan 8.290 nan 0.000 0.506 256 L N 0.030 121.268 121.223 0.024 0.000 2.316 256 L HA 0.610 4.950 4.340 -0.000 0.000 0.280 256 L C 1.351 178.241 176.870 0.033 0.000 1.006 256 L CA -0.199 54.660 54.840 0.031 0.000 0.836 256 L CB 1.700 43.780 42.059 0.035 0.000 1.221 256 L HN 0.226 nan 8.230 nan 0.000 0.418 257 G N 1.276 110.097 108.800 0.034 0.000 3.126 257 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.224 257 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.224 257 G C 0.801 175.724 174.900 0.040 0.000 1.142 257 G CA -0.075 45.044 45.100 0.033 0.000 0.759 257 G HN 0.719 nan 8.290 nan 0.000 0.550 258 N N -0.082 118.648 118.700 0.050 0.000 2.322 258 N HA 0.095 4.835 4.740 -0.000 0.000 0.194 258 N C -0.101 175.449 175.510 0.066 0.000 1.126 258 N CA -0.163 52.925 53.050 0.062 0.000 0.845 258 N CB 0.502 39.035 38.487 0.078 0.000 0.976 258 N HN -0.002 nan 8.380 nan 0.000 0.475 259 V N 1.137 121.084 119.914 0.055 0.000 2.350 259 V HA 0.312 4.432 4.120 -0.000 0.000 0.276 259 V C 0.070 176.187 176.094 0.038 0.000 1.028 259 V CA -0.841 61.490 62.300 0.050 0.000 0.860 259 V CB 0.882 32.734 31.823 0.048 0.000 0.990 259 V HN 0.297 nan 8.190 nan 0.000 0.453 260 R N 4.785 125.306 120.500 0.034 0.000 2.360 260 R HA 0.632 4.972 4.340 -0.000 0.000 0.318 260 R C -0.469 175.837 176.300 0.010 0.000 0.950 260 R CA -0.514 55.601 56.100 0.024 0.000 0.837 260 R CB 1.628 31.947 30.300 0.031 0.000 1.165 260 R HN 0.644 nan 8.270 nan 0.000 0.458 261 V N 2.594 122.510 119.914 0.004 0.000 3.264 261 V HA 0.504 4.624 4.120 -0.000 0.000 0.304 261 V C -0.341 175.740 176.094 -0.021 0.000 1.086 261 V CA -0.772 61.521 62.300 -0.012 0.000 1.090 261 V CB 1.098 32.916 31.823 -0.008 0.000 1.112 261 V HN 0.706 nan 8.190 nan 0.000 0.472 262 L N 0.933 122.131 121.223 -0.041 0.000 2.847 262 L HA 0.408 4.748 4.340 -0.000 0.000 0.243 262 L C -0.528 176.300 176.870 -0.070 0.000 0.978 262 L CA -0.429 54.382 54.840 -0.048 0.000 1.030 262 L CB 0.756 42.787 42.059 -0.047 0.000 1.351 262 L HN 1.035 nan 8.230 nan 0.000 0.512 263 E N 3.389 123.555 120.200 -0.057 0.000 2.480 263 E HA 0.545 4.895 4.350 -0.000 0.000 0.258 263 E C -0.400 176.156 176.600 -0.073 0.000 0.984 263 E CA 0.826 57.187 56.400 -0.065 0.000 0.930 263 E CB 0.595 30.270 29.700 -0.042 0.000 0.936 263 E HN 0.905 nan 8.360 nan 0.000 0.466 264 A N 4.576 127.335 122.820 -0.101 0.000 2.549 264 A HA 0.216 4.536 4.320 -0.000 0.000 0.291 264 A C -1.369 176.135 177.584 -0.133 0.000 1.034 264 A CA -0.838 51.139 52.037 -0.100 0.000 0.655 264 A CB 0.982 19.921 19.000 -0.101 0.000 1.299 264 A HN 0.666 nan 8.150 nan 0.000 0.427 265 N N 0.926 119.569 118.700 -0.095 0.000 2.406 265 N HA 0.376 5.116 4.740 -0.000 0.000 0.251 265 N C 1.221 176.645 175.510 -0.144 0.000 1.069 265 N CA 0.506 53.507 53.050 -0.082 0.000 0.947 265 N CB 1.631 40.120 38.487 0.003 0.000 1.111 265 N HN 0.882 nan 8.380 nan 0.000 0.497 266 A N 4.934 127.559 122.820 -0.326 0.000 1.884 266 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 266 A C 1.629 179.041 177.584 -0.288 0.000 1.197 266 A CA 1.434 53.174 52.037 -0.495 0.000 0.637 266 A CB -0.852 17.503 19.000 -1.075 0.000 0.827 266 A HN 0.724 nan 8.150 nan 0.000 0.450 267 F N 0.747 120.654 119.950 -0.071 0.000 2.120 267 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 267 F C 2.274 178.044 175.800 -0.049 0.000 1.095 267 F CA 1.842 59.822 58.000 -0.033 0.000 1.249 267 F CB -0.492 38.489 39.000 -0.031 0.000 0.995 267 F HN 0.259 nan 8.300 nan 0.000 0.480 268 D N -0.004 120.472 120.400 0.127 0.000 2.085 268 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 268 D C 2.338 178.642 176.300 0.007 0.000 0.981 268 D CA 0.971 55.002 54.000 0.052 0.000 0.834 268 D CB -1.006 39.811 40.800 0.029 0.000 0.992 268 D HN 0.173 nan 8.370 nan 0.000 0.457 269 L N 1.219 122.422 121.223 -0.033 0.000 2.021 269 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 269 L C 2.215 179.057 176.870 -0.046 0.000 1.074 269 L CA 1.574 56.381 54.840 -0.055 0.000 0.760 269 L CB -0.729 41.264 42.059 -0.110 0.000 0.889 269 L HN 0.018 nan 8.230 nan 0.000 0.433 270 L N -0.976 120.210 121.223 -0.062 0.000 2.046 270 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 270 L C 2.853 179.721 176.870 -0.003 0.000 1.077 270 L CA 1.453 56.264 54.840 -0.048 0.000 0.747 270 L CB -0.568 41.454 42.059 -0.061 0.000 0.896 270 L HN 0.314 nan 8.230 nan 0.000 0.432 271 R N -0.168 120.339 120.500 0.012 0.000 2.070 271 R HA -0.205 4.135 4.340 -0.000 0.000 0.232 271 R C 2.365 178.675 176.300 0.016 0.000 1.138 271 R CA 1.583 57.694 56.100 0.019 0.000 0.936 271 R CB -0.575 29.739 30.300 0.024 0.000 0.839 271 R HN 0.283 nan 8.270 nan 0.000 0.429 272 R N 1.238 121.746 120.500 0.012 0.000 2.139 272 R HA -0.117 4.222 4.340 -0.000 0.000 0.243 272 R C 2.268 178.583 176.300 0.025 0.000 1.145 272 R CA 1.128 57.236 56.100 0.014 0.000 0.976 272 R CB -0.240 30.065 30.300 0.008 0.000 0.866 272 R HN 0.210 nan 8.270 nan 0.000 0.449 273 L N 0.226 121.470 121.223 0.034 0.000 2.141 273 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 273 L C 2.620 179.534 176.870 0.074 0.000 1.094 273 L CA 1.543 56.427 54.840 0.074 0.000 0.763 273 L CB -0.401 41.720 42.059 0.102 0.000 0.908 273 L HN 0.387 nan 8.230 nan 0.000 0.437 274 E N 0.731 120.961 120.200 0.051 0.000 2.051 274 E HA -0.261 4.088 4.350 -0.000 0.000 0.189 274 E C 2.192 178.808 176.600 0.026 0.000 0.979 274 E CA 0.897 57.322 56.400 0.041 0.000 0.803 274 E CB 0.060 29.777 29.700 0.028 0.000 0.761 274 E HN 0.270 nan 8.360 nan 0.000 0.451 275 K N 0.512 120.924 120.400 0.020 0.000 2.218 275 K HA -0.179 4.141 4.320 -0.000 0.000 0.205 275 K C 1.169 177.776 176.600 0.012 0.000 1.046 275 K CA 1.587 57.883 56.287 0.013 0.000 0.933 275 K CB 0.049 32.556 32.500 0.011 0.000 0.728 275 K HN 0.162 nan 8.250 nan 0.000 0.454 276 E N -0.730 119.480 120.200 0.016 0.000 2.444 276 E HA 0.074 4.424 4.350 -0.000 0.000 0.191 276 E C 0.220 176.821 176.600 0.003 0.000 1.041 276 E CA 0.204 56.610 56.400 0.009 0.000 0.883 276 E CB 0.532 30.240 29.700 0.013 0.000 1.024 276 E HN 0.507 nan 8.360 nan 0.000 0.470 277 G N 2.646 111.449 108.800 0.006 0.000 2.323 277 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.292 277 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.292 277 G C -0.176 174.710 174.900 -0.023 0.000 1.040 277 G CA 0.449 45.547 45.100 -0.004 0.000 0.942 277 G HN 0.225 nan 8.290 nan 0.000 0.506 278 E N 0.159 120.355 120.200 -0.007 0.000 2.167 278 E HA 0.600 4.950 4.350 -0.000 0.000 0.284 278 E C 0.600 177.152 176.600 -0.079 0.000 1.016 278 E CA -0.617 55.745 56.400 -0.062 0.000 0.817 278 E CB 0.454 30.183 29.700 0.049 0.000 1.080 278 E HN 0.296 nan 8.360 nan 0.000 0.397 279 R N 3.362 123.691 120.500 -0.286 0.000 2.740 279 R HA 0.540 4.879 4.340 -0.000 0.000 0.282 279 R C -0.941 175.045 176.300 -0.524 0.000 0.969 279 R CA -0.746 55.235 56.100 -0.197 0.000 0.918 279 R CB 0.820 31.070 30.300 -0.083 0.000 1.175 279 R HN 0.441 nan 8.270 nan 0.000 0.464 280 F N -0.558 119.391 119.950 -0.002 0.000 2.593 280 F HA 0.293 4.820 4.527 -0.000 0.000 0.320 280 F C 1.100 176.914 175.800 0.023 0.000 1.060 280 F CA -0.906 57.095 58.000 0.002 0.000 0.940 280 F CB 1.403 40.383 39.000 -0.034 0.000 1.268 280 F HN 0.402 nan 8.300 nan 0.000 0.475 281 D N 0.538 121.086 120.400 0.248 0.000 2.234 281 D HA 0.099 4.739 4.640 -0.000 0.000 0.205 281 D C -0.475 175.939 176.300 0.189 0.000 0.962 281 D CA 1.258 55.400 54.000 0.237 0.000 0.855 281 D CB 0.291 41.325 40.800 0.390 0.000 0.951 281 D HN 0.177 nan 8.370 nan 0.000 0.500 282 L N -0.950 120.331 121.223 0.097 0.000 2.592 282 L HA 0.489 4.829 4.340 -0.000 0.000 0.258 282 L C -1.883 174.901 176.870 -0.143 0.000 0.926 282 L CA -1.063 53.745 54.840 -0.053 0.000 0.885 282 L CB 1.454 43.457 42.059 -0.094 0.000 1.380 282 L HN -0.272 nan 8.230 nan 0.000 0.415 283 V N 3.993 123.822 119.914 -0.141 0.000 2.735 283 V HA 0.791 4.911 4.120 -0.000 0.000 0.310 283 V C -0.632 175.356 176.094 -0.176 0.000 1.061 283 V CA -0.679 61.506 62.300 -0.191 0.000 0.913 283 V CB 2.148 33.864 31.823 -0.180 0.000 1.005 283 V HN 0.631 nan 8.190 nan 0.000 0.428 284 V N 5.507 125.302 119.914 -0.198 0.000 2.409 284 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 284 V C -0.404 175.580 176.094 -0.182 0.000 1.020 284 V CA -0.472 61.693 62.300 -0.225 0.000 0.848 284 V CB 1.718 33.356 31.823 -0.308 0.000 0.990 284 V HN 0.607 nan 8.190 nan 0.000 0.430 285 L N 4.167 125.298 121.223 -0.154 0.000 2.294 285 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 285 L C -0.563 176.252 176.870 -0.093 0.000 1.015 285 L CA -0.206 54.602 54.840 -0.053 0.000 0.831 285 L CB 1.570 43.613 42.059 -0.026 0.000 1.217 285 L HN 0.631 nan 8.230 nan 0.000 0.420 286 D N 4.709 125.080 120.400 -0.048 0.000 2.795 286 D HA 0.295 4.935 4.640 -0.000 0.000 0.335 286 D C -2.442 173.729 176.300 -0.215 0.000 1.262 286 D CA -1.825 52.148 54.000 -0.045 0.000 0.885 286 D CB 0.909 41.763 40.800 0.090 0.000 1.047 286 D HN 0.122 nan 8.370 nan 0.000 0.500 287 P HA 0.178 nan 4.420 nan 0.000 0.268 287 P C -2.639 174.254 177.300 -0.678 0.000 1.208 287 P CA -0.882 61.496 63.100 -1.204 0.000 0.777 287 P CB 0.370 31.466 31.700 -1.008 0.000 0.875 288 P HA 0.273 nan 4.420 nan 0.000 0.285 288 P C -0.932 176.076 177.300 -0.488 0.000 1.269 288 P CA -0.677 62.233 63.100 -0.317 0.000 0.844 288 P CB 0.601 32.257 31.700 -0.074 0.000 1.094 289 A N 1.774 124.496 122.820 -0.164 0.000 2.573 289 A HA -0.002 4.318 4.320 -0.000 0.000 0.250 289 A C 0.421 178.009 177.584 0.007 0.000 1.049 289 A CA 0.572 52.578 52.037 -0.052 0.000 0.767 289 A CB -1.163 17.877 19.000 0.067 0.000 0.965 289 A HN 0.630 nan 8.150 nan 0.000 0.514 290 F N 1.587 121.550 119.950 0.022 0.000 2.714 290 F HA 0.263 4.790 4.527 -0.000 0.000 0.294 290 F C 1.511 177.326 175.800 0.026 0.000 1.120 290 F CA 0.445 58.422 58.000 -0.038 0.000 1.398 290 F CB 0.430 39.296 39.000 -0.223 0.000 1.120 290 F HN 0.630 nan 8.300 nan 0.000 0.589 291 A N 0.608 123.587 122.820 0.266 0.000 2.273 291 A HA 0.352 4.672 4.320 -0.000 0.000 0.315 291 A C 0.772 178.454 177.584 0.163 0.000 1.256 291 A CA -0.614 51.529 52.037 0.176 0.000 0.851 291 A CB 0.707 19.807 19.000 0.168 0.000 1.172 291 A HN -0.052 nan 8.150 nan 0.000 0.508 292 K N 1.534 121.992 120.400 0.096 0.000 2.288 292 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 292 K C 0.888 177.511 176.600 0.038 0.000 1.048 292 K CA 1.216 57.561 56.287 0.097 0.000 0.956 292 K CB 0.158 32.697 32.500 0.065 0.000 0.746 292 K HN 0.882 nan 8.250 nan 0.000 0.461 293 G N -0.339 108.359 108.800 -0.171 0.000 2.608 293 G HA2 0.203 4.163 3.960 -0.000 0.000 0.291 293 G HA3 0.203 4.163 3.960 -0.000 0.000 0.291 293 G C -0.412 174.088 174.900 -0.667 0.000 1.425 293 G CA -0.762 44.041 45.100 -0.494 0.000 0.787 293 G HN -0.160 nan 8.290 nan 0.000 0.484 294 K N -0.319 119.669 120.400 -0.687 0.000 2.589 294 K HA -0.077 4.243 4.320 -0.000 0.000 0.195 294 K C 1.873 178.376 176.600 -0.161 0.000 1.040 294 K CA 0.911 56.998 56.287 -0.335 0.000 0.950 294 K CB 0.056 32.471 32.500 -0.143 0.000 0.781 294 K HN 0.359 nan 8.250 nan 0.000 0.486 295 K N 0.482 120.790 120.400 -0.153 0.000 2.186 295 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 295 K C 0.823 177.390 176.600 -0.055 0.000 1.052 295 K CA 1.217 57.456 56.287 -0.081 0.000 0.965 295 K CB 0.182 32.642 32.500 -0.067 0.000 0.746 295 K HN 0.111 nan 8.250 nan 0.000 0.457 296 D N 0.468 120.833 120.400 -0.059 0.000 2.349 296 D HA -0.029 4.611 4.640 -0.000 0.000 0.215 296 D C 1.404 177.724 176.300 0.035 0.000 1.016 296 D CA 0.101 54.095 54.000 -0.010 0.000 0.870 296 D CB 0.271 41.075 40.800 0.006 0.000 0.917 296 D HN -0.164 nan 8.370 nan 0.000 0.524 297 V N 1.070 121.001 119.914 0.028 0.000 2.313 297 V HA -0.314 3.806 4.120 -0.000 0.000 0.253 297 V C 2.471 178.646 176.094 0.134 0.000 1.070 297 V CA 1.710 64.070 62.300 0.101 0.000 1.057 297 V CB -0.282 31.582 31.823 0.067 0.000 0.653 297 V HN 0.281 nan 8.190 nan 0.000 0.450 298 E N 0.036 120.276 120.200 0.066 0.000 2.005 298 E HA -0.240 4.110 4.350 -0.000 0.000 0.198 298 E C 2.418 179.072 176.600 0.089 0.000 1.010 298 E CA 1.817 58.248 56.400 0.052 0.000 0.825 298 E CB -0.385 29.317 29.700 0.003 0.000 0.769 298 E HN 0.523 nan 8.360 nan 0.000 0.456 299 R N 0.169 120.696 120.500 0.044 0.000 2.091 299 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 299 R C 2.231 178.549 176.300 0.030 0.000 1.136 299 R CA 1.443 57.548 56.100 0.008 0.000 0.959 299 R CB -0.257 30.017 30.300 -0.044 0.000 0.856 299 R HN 0.161 nan 8.270 nan 0.000 0.437 300 A N 0.383 123.261 122.820 0.097 0.000 1.859 300 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 300 A C 2.022 179.795 177.584 0.314 0.000 1.198 300 A CA 1.685 53.825 52.037 0.172 0.000 0.629 300 A CB -1.214 17.972 19.000 0.311 0.000 0.830 300 A HN 0.617 nan 8.150 nan 0.000 0.446 301 Y N 0.322 120.778 120.300 0.260 0.000 2.102 301 Y HA -0.353 4.197 4.550 -0.000 0.000 0.280 301 Y C 2.598 178.616 175.900 0.196 0.000 1.178 301 Y CA 2.632 60.893 58.100 0.269 0.000 1.146 301 Y CB -0.180 38.363 38.460 0.138 0.000 0.968 301 Y HN 0.252 nan 8.280 nan 0.000 0.504 302 R N 0.236 120.921 120.500 0.308 0.000 2.091 302 R HA -0.145 4.195 4.340 -0.000 0.000 0.238 302 R C 2.505 178.840 176.300 0.059 0.000 1.136 302 R CA 1.372 57.566 56.100 0.157 0.000 0.959 302 R CB -1.237 29.105 30.300 0.070 0.000 0.856 302 R HN 0.509 nan 8.270 nan 0.000 0.437 303 A N -0.566 122.251 122.820 -0.006 0.000 1.858 303 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 303 A C 1.933 179.648 177.584 0.218 0.000 1.190 303 A CA 1.439 53.438 52.037 -0.063 0.000 0.617 303 A CB -0.853 17.868 19.000 -0.466 0.000 0.827 303 A HN 0.341 nan 8.150 nan 0.000 0.443 304 Y N 0.010 120.444 120.300 0.224 0.000 2.165 304 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 304 Y C 2.454 178.340 175.900 -0.024 0.000 1.155 304 Y CA 1.860 60.042 58.100 0.137 0.000 1.164 304 Y CB -0.281 38.193 38.460 0.023 0.000 0.978 304 Y HN 0.281 nan 8.280 nan 0.000 0.513 305 K N 0.197 120.629 120.400 0.053 0.000 2.057 305 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 305 K C 2.129 178.740 176.600 0.017 0.000 1.049 305 K CA 1.695 57.951 56.287 -0.053 0.000 0.931 305 K CB -0.077 32.378 32.500 -0.075 0.000 0.714 305 K HN 0.170 nan 8.250 nan 0.000 0.440 306 E N 0.812 121.061 120.200 0.083 0.000 2.038 306 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 306 E C 1.782 178.458 176.600 0.127 0.000 1.000 306 E CA 1.511 57.973 56.400 0.104 0.000 0.803 306 E CB -0.593 29.189 29.700 0.136 0.000 0.750 306 E HN 0.129 nan 8.360 nan 0.000 0.448 307 V N 0.824 120.854 119.914 0.193 0.000 2.358 307 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 307 V C 1.948 178.060 176.094 0.030 0.000 1.047 307 V CA 2.238 64.598 62.300 0.100 0.000 1.035 307 V CB -0.569 31.291 31.823 0.062 0.000 0.658 307 V HN 0.314 nan 8.190 nan 0.000 0.452 308 N N 0.034 118.744 118.700 0.017 0.000 2.120 308 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 308 N C 1.779 177.241 175.510 -0.081 0.000 1.024 308 N CA 1.823 54.835 53.050 -0.063 0.000 0.852 308 N CB -0.394 38.011 38.487 -0.137 0.000 1.003 308 N HN 0.466 nan 8.380 nan 0.000 0.424 309 L N 1.905 123.090 121.223 -0.064 0.000 1.989 309 L HA -0.133 4.206 4.340 -0.000 0.000 0.211 309 L C 2.297 179.138 176.870 -0.048 0.000 1.071 309 L CA 1.701 56.501 54.840 -0.068 0.000 0.749 309 L CB -0.698 41.330 42.059 -0.052 0.000 0.890 309 L HN -0.071 nan 8.230 nan 0.000 0.431 310 R N -0.185 120.303 120.500 -0.021 0.000 2.073 310 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 310 R C 2.296 178.578 176.300 -0.029 0.000 1.134 310 R CA 1.627 57.718 56.100 -0.015 0.000 0.952 310 R CB -1.092 29.209 30.300 0.002 0.000 0.850 310 R HN 0.577 nan 8.270 nan 0.000 0.433 311 A N 0.568 123.360 122.820 -0.047 0.000 1.873 311 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 311 A C 2.229 179.784 177.584 -0.050 0.000 1.193 311 A CA 1.884 53.882 52.037 -0.065 0.000 0.629 311 A CB -0.776 18.177 19.000 -0.079 0.000 0.826 311 A HN 0.311 nan 8.150 nan 0.000 0.447 312 I N -0.448 120.084 120.570 -0.062 0.000 2.208 312 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 312 I C 2.266 178.367 176.117 -0.027 0.000 1.097 312 I CA 1.809 63.073 61.300 -0.060 0.000 1.363 312 I CB -0.338 37.605 38.000 -0.096 0.000 1.051 312 I HN 0.323 nan 8.210 nan 0.000 0.413 313 K N 0.596 120.982 120.400 -0.023 0.000 2.362 313 K HA -0.060 4.260 4.320 -0.000 0.000 0.200 313 K C 1.746 178.364 176.600 0.030 0.000 1.046 313 K CA 0.945 57.231 56.287 -0.002 0.000 0.952 313 K CB -0.038 32.457 32.500 -0.008 0.000 0.753 313 K HN 0.392 nan 8.250 nan 0.000 0.466 314 L N 0.791 122.044 121.223 0.050 0.000 2.567 314 L HA 0.116 4.456 4.340 -0.000 0.000 0.225 314 L C 0.559 177.523 176.870 0.156 0.000 1.119 314 L CA -0.125 54.792 54.840 0.129 0.000 0.871 314 L CB 0.014 42.181 42.059 0.180 0.000 1.036 314 L HN 0.056 nan 8.230 nan 0.000 0.459 315 L N 0.509 121.784 121.223 0.085 0.000 2.350 315 L HA 0.214 4.554 4.340 -0.000 0.000 0.275 315 L C 0.430 177.336 176.870 0.059 0.000 1.099 315 L CA -0.127 54.761 54.840 0.080 0.000 0.808 315 L CB 0.938 43.021 42.059 0.040 0.000 1.149 315 L HN 0.026 nan 8.230 nan 0.000 0.442 316 K N 1.712 122.148 120.400 0.061 0.000 2.138 316 K HA 0.125 4.445 4.320 -0.000 0.000 0.251 316 K C -0.063 176.560 176.600 0.038 0.000 1.015 316 K CA -0.598 55.714 56.287 0.041 0.000 0.917 316 K CB 0.608 33.131 32.500 0.038 0.000 1.021 316 K HN 0.508 nan 8.250 nan 0.000 0.485 317 E N 0.408 120.627 120.200 0.032 0.000 2.493 317 E HA -0.052 4.298 4.350 -0.000 0.000 0.255 317 E C 0.412 177.035 176.600 0.038 0.000 0.999 317 E CA 0.728 57.147 56.400 0.032 0.000 0.934 317 E CB -0.069 29.647 29.700 0.027 0.000 0.940 317 E HN 0.759 nan 8.360 nan 0.000 0.473 318 G N 2.924 111.749 108.800 0.041 0.000 2.175 318 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 318 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 318 G C 0.482 175.412 174.900 0.049 0.000 0.982 318 G CA -0.149 44.979 45.100 0.048 0.000 0.641 318 G HN 0.889 nan 8.290 nan 0.000 0.527 319 G N -0.528 108.299 108.800 0.046 0.000 2.636 319 G HA2 0.507 4.467 3.960 -0.000 0.000 0.246 319 G HA3 0.507 4.467 3.960 -0.000 0.000 0.246 319 G C 0.011 174.915 174.900 0.008 0.000 1.216 319 G CA -0.271 44.855 45.100 0.043 0.000 0.854 319 G HN 0.386 nan 8.290 nan 0.000 0.572 320 I N 0.518 121.064 120.570 -0.039 0.000 2.441 320 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 320 I C -0.575 175.485 176.117 -0.094 0.000 0.994 320 I CA -0.673 60.550 61.300 -0.127 0.000 1.144 320 I CB 1.506 39.261 38.000 -0.409 0.000 1.314 320 I HN 0.292 nan 8.210 nan 0.000 0.445 321 L N 6.595 127.797 121.223 -0.035 0.000 2.349 321 L HA 0.799 5.139 4.340 -0.000 0.000 0.278 321 L C -0.567 176.296 176.870 -0.012 0.000 0.996 321 L CA -0.202 54.627 54.840 -0.017 0.000 0.825 321 L CB 1.525 43.598 42.059 0.025 0.000 1.243 321 L HN 0.637 nan 8.230 nan 0.000 0.412 322 A N 3.448 126.201 122.820 -0.112 0.000 2.323 322 A HA 0.698 5.018 4.320 -0.000 0.000 0.305 322 A C -0.367 177.035 177.584 -0.304 0.000 1.275 322 A CA -0.323 51.559 52.037 -0.257 0.000 0.804 322 A CB 0.903 19.798 19.000 -0.176 0.000 1.152 322 A HN 0.718 nan 8.150 nan 0.000 0.487 323 T N 1.003 115.394 114.554 -0.272 0.000 2.887 323 T HA 0.821 5.171 4.350 -0.000 0.000 0.288 323 T C -0.260 174.383 174.700 -0.095 0.000 1.021 323 T CA 0.345 62.371 62.100 -0.123 0.000 1.000 323 T CB 1.358 70.225 68.868 -0.003 0.000 1.034 323 T HN 1.747 nan 8.240 nan 0.000 0.467 324 A N 1.958 124.774 122.820 -0.006 0.000 2.567 324 A HA 0.917 5.237 4.320 -0.000 0.000 0.289 324 A C -0.725 176.692 177.584 -0.277 0.000 1.177 324 A CA -0.643 51.305 52.037 -0.148 0.000 0.694 324 A CB 1.547 20.571 19.000 0.041 0.000 1.292 324 A HN 1.199 nan 8.150 nan 0.000 0.425 325 S N -1.454 113.921 115.700 -0.541 0.000 2.562 325 S HA 0.409 4.879 4.470 -0.000 0.000 0.274 325 S C -0.188 174.252 174.600 -0.267 0.000 1.160 325 S CA 0.023 57.975 58.200 -0.414 0.000 0.933 325 S CB 0.880 63.617 63.200 -0.771 0.000 1.100 325 S HN 2.107 nan 8.310 nan 0.000 0.468 326 C N 2.509 121.766 119.300 -0.072 0.000 3.000 326 C HA 0.648 5.108 4.460 -0.000 0.000 0.286 326 C C 0.869 175.953 174.990 0.156 0.000 1.343 326 C CA -0.154 58.914 59.018 0.085 0.000 1.742 326 C CB -1.564 26.237 27.740 0.103 0.000 2.200 326 C HN 0.712 nan 8.230 nan 0.000 0.621 327 S N 1.206 116.956 115.700 0.083 0.000 2.480 327 S HA 0.320 4.789 4.470 -0.000 0.000 0.286 327 S C 1.232 175.881 174.600 0.083 0.000 1.180 327 S CA -0.244 58.023 58.200 0.113 0.000 1.075 327 S CB 0.175 63.470 63.200 0.159 0.000 0.996 327 S HN 0.744 nan 8.310 nan 0.000 0.487 328 H N 3.945 123.012 119.070 -0.005 0.000 2.547 328 H HA 0.171 4.727 4.556 -0.000 0.000 0.266 328 H C 0.193 175.483 175.328 -0.063 0.000 0.988 328 H CA 0.050 56.070 56.048 -0.047 0.000 1.147 328 H CB -0.369 29.398 29.762 0.008 0.000 1.365 328 H HN 0.585 nan 8.280 nan 0.000 0.589 332 E N 0.825 121.097 120.200 0.121 0.000 2.070 332 E HA -0.059 4.291 4.350 -0.000 0.000 0.197 332 E C -1.002 175.828 176.600 0.383 0.000 1.004 332 E CA 2.030 58.590 56.400 0.267 0.000 0.805 332 E CB -0.994 28.915 29.700 0.348 0.000 0.744 332 E HN 0.549 nan 8.360 nan 0.000 0.451 333 P HA -0.172 nan 4.420 nan 0.000 0.215 333 P C 1.297 178.741 177.300 0.240 0.000 1.157 333 P CA 1.276 64.527 63.100 0.253 0.000 0.868 333 P CB -0.053 31.749 31.700 0.170 0.000 0.788 334 L N -2.586 118.764 121.223 0.211 0.000 2.046 334 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 334 L C 2.414 179.381 176.870 0.161 0.000 1.077 334 L CA 1.312 56.292 54.840 0.233 0.000 0.747 334 L CB -0.860 41.348 42.059 0.247 0.000 0.896 334 L HN -0.071 nan 8.230 nan 0.000 0.432 335 F N -0.171 119.739 119.950 -0.068 0.000 2.095 335 F HA -0.300 4.226 4.527 -0.000 0.000 0.298 335 F C 2.287 177.885 175.800 -0.336 0.000 1.104 335 F CA 1.647 59.462 58.000 -0.309 0.000 1.232 335 F CB -0.457 38.288 39.000 -0.425 0.000 0.987 335 F HN -0.033 nan 8.300 nan 0.000 0.475 336 Y N 0.259 120.550 120.300 -0.015 0.000 2.293 336 Y HA 0.138 4.688 4.550 -0.000 0.000 0.291 336 Y C 1.932 177.773 175.900 -0.098 0.000 1.137 336 Y CA 0.309 58.370 58.100 -0.066 0.000 1.202 336 Y CB -1.298 37.216 38.460 0.090 0.000 0.990 336 Y HN 0.104 nan 8.280 nan 0.000 0.537 340 A N 0.537 123.213 122.820 -0.240 0.000 1.877 340 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 340 A C 1.922 179.440 177.584 -0.110 0.000 1.186 340 A CA 2.436 54.386 52.037 -0.144 0.000 0.620 340 A CB -0.424 18.549 19.000 -0.044 0.000 0.822 340 A HN 0.703 nan 8.150 nan 0.000 0.443 341 E N -0.063 120.090 120.200 -0.078 0.000 2.070 341 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 341 E C 2.117 178.669 176.600 -0.081 0.000 1.004 341 E CA 1.294 57.672 56.400 -0.037 0.000 0.805 341 E CB -0.281 29.442 29.700 0.039 0.000 0.744 341 E HN 0.536 nan 8.360 nan 0.000 0.451 342 A N 1.132 123.870 122.820 -0.137 0.000 1.902 342 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 342 A C 2.414 179.907 177.584 -0.152 0.000 1.181 342 A CA 1.842 53.792 52.037 -0.145 0.000 0.623 342 A CB -0.809 18.083 19.000 -0.180 0.000 0.818 342 A HN 0.435 nan 8.150 nan 0.000 0.443 343 A N -0.549 122.163 122.820 -0.179 0.000 1.902 343 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 343 A C 2.131 179.654 177.584 -0.102 0.000 1.181 343 A CA 1.763 53.705 52.037 -0.158 0.000 0.623 343 A CB -0.641 18.243 19.000 -0.194 0.000 0.818 343 A HN 0.665 nan 8.150 nan 0.000 0.443 344 Q N -0.375 119.378 119.800 -0.079 0.000 2.030 344 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 344 Q C 1.591 177.548 176.000 -0.071 0.000 0.986 344 Q CA 1.575 57.360 55.803 -0.030 0.000 0.843 344 Q CB -0.336 28.396 28.738 -0.009 0.000 0.904 344 Q HN 0.593 nan 8.270 nan 0.000 0.420 345 D N 0.448 120.775 120.400 -0.123 0.000 2.182 345 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 345 D C 1.329 177.373 176.300 -0.427 0.000 0.986 345 D CA 1.302 55.171 54.000 -0.220 0.000 0.847 345 D CB -0.150 40.569 40.800 -0.134 0.000 0.942 345 D HN 0.290 nan 8.370 nan 0.000 0.467 346 A N 0.265 122.914 122.820 -0.285 0.000 2.238 346 A HA -0.052 4.268 4.320 -0.000 0.000 0.208 346 A C -0.133 177.330 177.584 -0.202 0.000 1.177 346 A CA -0.004 51.880 52.037 -0.255 0.000 0.804 346 A CB -0.575 18.345 19.000 -0.133 0.000 0.823 346 A HN 0.238 nan 8.150 nan 0.000 0.482 347 H N -1.428 117.628 119.070 -0.023 0.000 2.692 347 H HA -0.149 4.407 4.556 -0.000 0.000 0.316 347 H C 0.057 175.374 175.328 -0.018 0.000 1.176 347 H CA 1.447 57.484 56.048 -0.017 0.000 1.142 347 H CB -1.335 28.421 29.762 -0.010 0.000 1.475 347 H HN 0.629 nan 8.280 nan 0.000 0.423 348 R N 0.130 120.658 120.500 0.046 0.000 2.628 348 R HA 0.476 4.816 4.340 -0.000 0.000 0.288 348 R C -0.803 175.498 176.300 0.003 0.000 0.980 348 R CA -1.003 55.110 56.100 0.021 0.000 0.891 348 R CB 1.564 31.860 30.300 -0.006 0.000 1.188 348 R HN 0.095 nan 8.270 nan 0.000 0.450 349 L N 5.019 126.251 121.223 0.015 0.000 2.278 349 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 349 L C -1.329 175.553 176.870 0.020 0.000 1.072 349 L CA 0.212 55.062 54.840 0.017 0.000 0.819 349 L CB 0.557 42.633 42.059 0.028 0.000 1.176 349 L HN 0.497 nan 8.230 nan 0.000 0.435 350 L N 5.922 127.153 121.223 0.014 0.000 2.296 350 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 350 L C 0.115 177.076 176.870 0.152 0.000 1.023 350 L CA -0.653 54.222 54.840 0.059 0.000 0.812 350 L CB 1.398 43.420 42.059 -0.062 0.000 1.223 350 L HN 0.639 nan 8.230 nan 0.000 0.421 351 R N 2.738 123.343 120.500 0.176 0.000 2.297 351 R HA 0.429 4.769 4.340 -0.000 0.000 0.308 351 R C -1.008 175.426 176.300 0.223 0.000 1.029 351 R CA -0.582 55.617 56.100 0.165 0.000 0.929 351 R CB 1.573 31.940 30.300 0.113 0.000 1.046 351 R HN 0.416 nan 8.270 nan 0.000 0.461 352 V N 5.979 125.999 119.914 0.177 0.000 2.479 352 V HA -0.013 4.107 4.120 -0.000 0.000 0.281 352 V C 1.201 177.287 176.094 -0.013 0.000 1.031 352 V CA 0.019 62.340 62.300 0.035 0.000 1.038 352 V CB 1.302 33.127 31.823 0.002 0.000 0.981 352 V HN 0.732 nan 8.190 nan 0.000 0.478 353 V N 3.650 123.521 119.914 -0.073 0.000 2.825 353 V HA 0.188 4.308 4.120 -0.000 0.000 0.246 353 V C 0.632 176.756 176.094 0.049 0.000 1.068 353 V CA 1.026 63.360 62.300 0.056 0.000 1.088 353 V CB -0.040 31.879 31.823 0.160 0.000 0.733 353 V HN 1.019 nan 8.190 nan 0.000 0.468 354 E N -0.477 119.673 120.200 -0.083 0.000 2.745 354 E HA 0.221 4.571 4.350 -0.000 0.000 0.306 354 E C -1.545 174.965 176.600 -0.150 0.000 1.090 354 E CA -0.576 55.772 56.400 -0.088 0.000 0.893 354 E CB 1.046 30.706 29.700 -0.067 0.000 1.205 354 E HN 0.122 nan 8.360 nan 0.000 0.438 355 K N 3.749 124.090 120.400 -0.098 0.000 2.235 355 K HA 0.586 4.906 4.320 -0.000 0.000 0.266 355 K C -0.389 176.218 176.600 0.013 0.000 0.980 355 K CA -0.656 55.621 56.287 -0.017 0.000 0.849 355 K CB 1.836 34.301 32.500 -0.059 0.000 1.098 355 K HN 0.419 nan 8.250 nan 0.000 0.445 356 R N 0.258 120.816 120.500 0.096 0.000 2.869 356 R HA 0.630 4.970 4.340 -0.000 0.000 0.263 356 R C -0.011 176.356 176.300 0.111 0.000 1.066 356 R CA -0.933 55.210 56.100 0.071 0.000 0.960 356 R CB 1.861 32.189 30.300 0.048 0.000 1.221 356 R HN 0.752 nan 8.270 nan 0.000 0.474 357 G N -0.351 108.472 108.800 0.039 0.000 3.000 357 G HA2 0.194 4.154 3.960 -0.000 0.000 0.170 357 G HA3 0.194 4.154 3.960 -0.000 0.000 0.170 357 G C -1.260 173.599 174.900 -0.069 0.000 1.160 357 G CA -0.581 44.528 45.100 0.015 0.000 0.945 357 G HN 0.370 nan 8.290 nan 0.000 0.593 358 Q N 1.398 121.135 119.800 -0.105 0.000 2.340 358 Q HA 0.363 4.703 4.340 -0.000 0.000 0.249 358 Q C -2.044 173.913 176.000 -0.070 0.000 0.957 358 Q CA -1.262 54.449 55.803 -0.154 0.000 0.882 358 Q CB 1.326 29.948 28.738 -0.194 0.000 1.235 358 Q HN 0.334 nan 8.270 nan 0.000 0.439 359 P HA 0.015 nan 4.420 nan 0.000 0.278 359 P C 0.141 177.485 177.300 0.074 0.000 1.266 359 P CA -0.455 62.675 63.100 0.050 0.000 0.807 359 P CB 0.435 32.171 31.700 0.060 0.000 1.094 360 F N 0.968 120.930 119.950 0.020 0.000 2.225 360 F HA -0.210 4.317 4.527 -0.000 0.000 0.302 360 F C 1.181 176.983 175.800 0.003 0.000 1.068 360 F CA 1.944 59.948 58.000 0.007 0.000 1.327 360 F CB -1.378 37.619 39.000 -0.006 0.000 1.043 360 F HN 0.178 nan 8.300 nan 0.000 0.506 361 D N -1.091 118.628 120.400 -1.136 0.000 2.340 361 D HA -0.078 4.562 4.640 -0.000 0.000 0.220 361 D C -0.126 175.768 176.300 -0.676 0.000 1.039 361 D CA 0.339 53.732 54.000 -1.013 0.000 0.866 361 D CB -1.193 38.996 40.800 -1.018 0.000 0.913 361 D HN 0.526 nan 8.370 nan 0.000 0.523 362 H N 1.098 119.933 119.070 -0.393 0.000 2.386 362 H HA 0.298 4.854 4.556 -0.000 0.000 0.232 362 H C -2.256 173.047 175.328 -0.040 0.000 1.416 362 H CA -1.609 54.161 56.048 -0.463 0.000 1.285 362 H CB 0.705 30.156 29.762 -0.518 0.000 1.625 362 H HN 0.064 nan 8.280 nan 0.000 0.521 363 P HA -0.110 nan 4.420 nan 0.000 0.264 363 P C -0.140 177.229 177.300 0.115 0.000 1.173 363 P CA 0.372 63.530 63.100 0.098 0.000 0.761 363 P CB 1.428 33.161 31.700 0.055 0.000 0.794 364 V N 4.838 124.772 119.914 0.034 0.000 2.495 364 V HA 0.314 4.434 4.120 -0.000 0.000 0.298 364 V C 0.539 176.616 176.094 -0.027 0.000 1.031 364 V CA -0.738 61.562 62.300 -0.000 0.000 0.871 364 V CB 1.593 33.377 31.823 -0.064 0.000 0.988 364 V HN 0.367 nan 8.190 nan 0.000 0.432 365 L N 4.696 125.896 121.223 -0.037 0.000 2.282 365 L HA 0.326 4.666 4.340 -0.000 0.000 0.288 365 L C 1.062 177.919 176.870 -0.022 0.000 1.033 365 L CA -0.521 54.296 54.840 -0.039 0.000 0.807 365 L CB 1.566 43.585 42.059 -0.067 0.000 1.209 365 L HN 0.594 nan 8.230 nan 0.000 0.423 366 L N 3.952 125.161 121.223 -0.024 0.000 2.042 366 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 366 L C 1.744 178.615 176.870 0.002 0.000 1.076 366 L CA 2.045 56.877 54.840 -0.015 0.000 0.749 366 L CB -0.405 41.642 42.059 -0.020 0.000 0.893 366 L HN 0.659 nan 8.230 nan 0.000 0.432 367 N N -1.760 116.936 118.700 -0.007 0.000 2.512 367 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 367 N C 0.105 175.600 175.510 -0.025 0.000 1.073 367 N CA 0.792 53.841 53.050 -0.003 0.000 0.911 367 N CB -0.279 38.195 38.487 -0.021 0.000 0.964 367 N HN 0.542 nan 8.380 nan 0.000 0.447 368 H N -0.378 118.568 119.070 -0.207 0.000 2.541 368 H HA 0.254 4.810 4.556 -0.000 0.000 0.246 368 H C -1.957 173.243 175.328 -0.213 0.000 1.341 368 H CA -2.015 53.756 56.048 -0.461 0.000 1.469 368 H CB 1.082 30.434 29.762 -0.684 0.000 1.472 368 H HN -0.079 nan 8.280 nan 0.000 0.503 369 P HA -0.252 nan 4.420 nan 0.000 0.218 369 P C 0.839 178.234 177.300 0.159 0.000 1.154 369 P CA 1.445 64.622 63.100 0.128 0.000 0.872 369 P CB 0.340 32.131 31.700 0.153 0.000 0.790 370 E N -1.413 118.856 120.200 0.115 0.000 2.463 370 E HA -0.116 4.234 4.350 -0.000 0.000 0.201 370 E C 1.538 178.106 176.600 -0.053 0.000 1.045 370 E CA 1.441 57.824 56.400 -0.028 0.000 0.872 370 E CB -1.101 28.608 29.700 0.015 0.000 0.797 370 E HN 0.465 nan 8.360 nan 0.000 0.538 371 T N -2.498 112.096 114.554 0.066 0.000 3.100 371 T HA -0.055 4.295 4.350 -0.000 0.000 0.253 371 T C 0.465 175.297 174.700 0.220 0.000 1.118 371 T CA 0.105 62.244 62.100 0.064 0.000 1.058 371 T CB -0.134 68.695 68.868 -0.065 0.000 0.953 371 T HN 0.105 nan 8.240 nan 0.000 0.515 372 H N 1.037 120.154 119.070 0.078 0.000 2.623 372 H HA 0.425 4.980 4.556 -0.000 0.000 0.299 372 H C -0.182 175.200 175.328 0.090 0.000 1.052 372 H CA -2.144 53.908 56.048 0.007 0.000 1.231 372 H CB 0.286 30.057 29.762 0.015 0.000 1.389 372 H HN 0.407 nan 8.280 nan 0.000 0.469 373 Y N 3.131 123.418 120.300 -0.020 0.000 2.438 373 Y HA 0.277 4.827 4.550 -0.000 0.000 0.274 373 Y C -0.808 175.004 175.900 -0.146 0.000 1.085 373 Y CA -0.757 57.289 58.100 -0.090 0.000 1.199 373 Y CB 0.216 38.700 38.460 0.040 0.000 1.317 373 Y HN 0.375 nan 8.280 nan 0.000 0.545 374 L N 3.135 124.010 121.223 -0.580 0.000 2.276 374 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 374 L C -1.012 175.736 176.870 -0.203 0.000 1.061 374 L CA -0.757 53.897 54.840 -0.310 0.000 0.807 374 L CB 1.101 42.949 42.059 -0.353 0.000 1.177 374 L HN 0.156 nan 8.230 nan 0.000 0.429 375 K N 5.565 125.805 120.400 -0.267 0.000 2.426 375 K HA 0.511 4.831 4.320 -0.000 0.000 0.254 375 K C -1.636 174.841 176.600 -0.205 0.000 0.936 375 K CA -0.304 55.821 56.287 -0.269 0.000 0.801 375 K CB 2.073 34.200 32.500 -0.621 0.000 1.139 375 K HN 0.434 nan 8.250 nan 0.000 0.424 376 F N 2.024 121.891 119.950 -0.140 0.000 2.562 376 F HA 0.642 5.169 4.527 -0.000 0.000 0.319 376 F C -1.400 174.420 175.800 0.034 0.000 1.154 376 F CA -0.431 57.533 58.000 -0.061 0.000 0.931 376 F CB 1.427 40.406 39.000 -0.036 0.000 1.198 376 F HN 0.591 nan 8.300 nan 0.000 0.444 377 A N 5.190 127.775 122.820 -0.393 0.000 2.371 377 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 377 A C -1.890 175.403 177.584 -0.484 0.000 1.068 377 A CA -0.701 51.174 52.037 -0.271 0.000 0.744 377 A CB 1.571 20.622 19.000 0.085 0.000 1.239 377 A HN 0.549 nan 8.150 nan 0.000 0.435 378 V N 2.236 121.863 119.914 -0.478 0.000 2.448 378 V HA 0.646 4.766 4.120 -0.000 0.000 0.295 378 V C -0.957 174.869 176.094 -0.447 0.000 1.025 378 V CA -0.252 61.883 62.300 -0.275 0.000 0.859 378 V CB 0.597 32.484 31.823 0.105 0.000 0.988 378 V HN 0.719 nan 8.190 nan 0.000 0.431 379 F N 1.960 121.899 119.950 -0.017 0.000 2.579 379 F HA 0.658 5.185 4.527 -0.000 0.000 0.324 379 F C 0.090 175.876 175.800 -0.023 0.000 1.058 379 F CA -0.751 57.248 58.000 -0.002 0.000 0.944 379 F CB 1.970 40.958 39.000 -0.021 0.000 1.245 379 F HN 0.407 nan 8.300 nan 0.000 0.477 380 Q N 1.320 121.242 119.800 0.204 0.000 2.330 380 Q HA 0.586 4.926 4.340 -0.000 0.000 0.269 380 Q C -1.790 174.272 176.000 0.103 0.000 1.022 380 Q CA -0.727 55.141 55.803 0.109 0.000 0.796 380 Q CB 2.103 30.897 28.738 0.093 0.000 1.271 380 Q HN 0.589 nan 8.270 nan 0.000 0.450 381 V N 6.060 126.012 119.914 0.064 0.000 2.427 381 V HA 0.177 4.297 4.120 -0.000 0.000 0.268 381 V C 0.467 176.587 176.094 0.044 0.000 1.046 381 V CA -0.066 62.260 62.300 0.042 0.000 0.970 381 V CB 0.302 32.138 31.823 0.022 0.000 1.001 381 V HN 0.762 nan 8.190 nan 0.000 0.476 382 L N 0.000 121.249 121.223 0.044 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.865 54.840 0.042 0.000 0.813 382 L CB 0.000 42.085 42.059 0.044 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502