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 1b65_1_A DATA FIRST_RESID 9 DATA SEQUENCE KPRARDLGLP FTGVTGPYNA ITDVDGVGVG FQTIIENEPR PGRKRPARSG DATA SEQUENCE VTAILPHMQS ETPVPVYAGV HRFNGNGEMT GTHWIEDGGY FLGPVVITNT DATA SEQUENCE HGIGMAHHAT VRWMVDRYAS TYQTDDFLWI MPVVAETYDG ALNDINGFPV DATA SEQUENCE TEADVRKALD NVASGPVQEG NCGGGTGMIT YGFKGGTGTA SRVVEFGGRS DATA SEQUENCE FTIGALVQAN HGQRDWLTIA GVPVGQHMRD GTPQSQLXXX XSIIVVLATD DATA SEQUENCE LPLMPHQLKR LARRASIGIG RNGTPGGNNS GDIFIAFSTA NQRPMQHRSA DATA SEQUENCE PFLDVEMVND EPLDTVYLAA VDSVEEAVVN AMIAAEDMGG TPFDRLLVQA DATA SEQUENCE IDHERLRAVL RQYGRLA 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.625 176.600 0.041 0.000 0.988 9 K CA 0.000 56.314 56.287 0.045 0.000 0.838 9 K CB 0.000 32.522 32.500 0.036 0.000 1.064 10 P HA 0.206 nan 4.420 nan 0.000 0.269 10 P C -0.397 176.901 177.300 -0.003 0.000 1.215 10 P CA -0.172 62.939 63.100 0.019 0.000 0.780 10 P CB 1.021 32.728 31.700 0.012 0.000 0.898 11 R N 0.246 120.737 120.500 -0.016 0.000 2.843 11 R HA 0.566 4.906 4.340 -0.000 0.000 0.232 11 R C 1.539 177.811 176.300 -0.047 0.000 1.305 11 R CA -0.504 55.578 56.100 -0.030 0.000 1.096 11 R CB 0.284 30.573 30.300 -0.019 0.000 1.455 11 R HN 0.460 nan 8.270 nan 0.000 0.520 12 A N 0.873 123.673 122.820 -0.034 0.000 1.908 12 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 12 A C 2.021 179.658 177.584 0.088 0.000 1.181 12 A CA 1.506 53.561 52.037 0.030 0.000 0.627 12 A CB -0.452 18.648 19.000 0.166 0.000 0.818 12 A HN 0.613 nan 8.150 nan 0.000 0.445 13 R N -0.270 120.284 120.500 0.090 0.000 2.120 13 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 13 R C 1.423 177.750 176.300 0.046 0.000 1.123 13 R CA 1.366 57.532 56.100 0.110 0.000 0.975 13 R CB -0.386 29.959 30.300 0.075 0.000 0.866 13 R HN 0.525 nan 8.270 nan 0.000 0.446 14 D N 0.685 121.094 120.400 0.015 0.000 2.218 14 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 14 D C 1.553 177.847 176.300 -0.011 0.000 0.976 14 D CA 1.027 55.028 54.000 0.002 0.000 0.853 14 D CB 0.078 40.875 40.800 -0.004 0.000 0.939 14 D HN 0.278 nan 8.370 nan 0.000 0.481 15 L N -0.553 120.651 121.223 -0.032 0.000 2.591 15 L HA 0.165 4.505 4.340 -0.000 0.000 0.228 15 L C 1.502 178.355 176.870 -0.028 0.000 1.133 15 L CA 0.333 55.144 54.840 -0.049 0.000 0.880 15 L CB 0.002 41.988 42.059 -0.121 0.000 1.033 15 L HN 0.080 nan 8.230 nan 0.000 0.450 16 G N 0.130 108.925 108.800 -0.009 0.000 2.157 16 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.239 16 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.239 16 G C -0.005 174.878 174.900 -0.029 0.000 0.982 16 G CA -0.447 44.646 45.100 -0.012 0.000 0.650 16 G HN 0.120 nan 8.290 nan 0.000 0.527 17 L N 1.951 123.162 121.223 -0.021 0.000 2.456 17 L HA 0.361 4.701 4.340 -0.000 0.000 0.272 17 L C -1.080 175.700 176.870 -0.149 0.000 1.189 17 L CA -1.161 53.616 54.840 -0.104 0.000 0.846 17 L CB 0.270 42.281 42.059 -0.080 0.000 1.111 17 L HN -0.004 nan 8.230 nan 0.000 0.475 18 P HA 0.075 nan 4.420 nan 0.000 0.225 18 P C -0.630 176.502 177.300 -0.281 0.000 1.768 18 P CA -0.147 62.826 63.100 -0.213 0.000 0.943 18 P CB -0.426 31.164 31.700 -0.183 0.000 1.936 19 F N 1.161 121.099 119.950 -0.021 0.000 2.429 19 F HA 0.106 4.633 4.527 -0.000 0.000 0.348 19 F C 1.460 177.253 175.800 -0.012 0.000 1.109 19 F CA -0.017 57.973 58.000 -0.017 0.000 1.232 19 F CB 0.066 39.056 39.000 -0.017 0.000 1.157 19 F HN -0.010 nan 8.300 nan 0.000 0.564 20 T N 2.009 116.696 114.554 0.222 0.000 2.216 20 T HA 0.173 4.523 4.350 -0.000 0.000 0.176 20 T C 0.717 175.485 174.700 0.114 0.000 1.068 20 T CA 0.125 62.321 62.100 0.161 0.000 1.433 20 T CB -1.373 67.641 68.868 0.243 0.000 0.984 20 T HN 1.378 nan 8.240 nan 0.000 0.431 21 G N 2.457 111.299 108.800 0.070 0.000 2.750 21 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.333 21 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.333 21 G C -0.004 174.916 174.900 0.034 0.000 1.363 21 G CA -0.449 44.679 45.100 0.046 0.000 0.919 21 G HN 1.559 nan 8.290 nan 0.000 0.559 22 V N 1.498 121.425 119.914 0.022 0.000 2.530 22 V HA 0.531 4.651 4.120 -0.000 0.000 0.282 22 V C 1.303 177.398 176.094 0.003 0.000 1.048 22 V CA 0.487 62.793 62.300 0.009 0.000 0.997 22 V CB 0.821 32.648 31.823 0.005 0.000 0.987 22 V HN 1.326 nan 8.190 nan 0.000 0.477 23 T N 2.332 116.881 114.554 -0.008 0.000 2.936 23 T HA 0.693 5.043 4.350 -0.000 0.000 0.282 23 T C 0.560 175.246 174.700 -0.024 0.000 1.003 23 T CA -0.078 62.013 62.100 -0.015 0.000 1.005 23 T CB 1.622 70.477 68.868 -0.022 0.000 1.097 23 T HN 0.851 nan 8.240 nan 0.000 0.532 24 G N 0.525 109.313 108.800 -0.020 0.000 2.631 24 G HA2 0.404 4.364 3.960 -0.000 0.000 0.271 24 G HA3 0.404 4.364 3.960 -0.000 0.000 0.271 24 G C -1.578 173.277 174.900 -0.075 0.000 1.302 24 G CA -1.249 43.832 45.100 -0.032 0.000 1.002 24 G HN 0.570 nan 8.290 nan 0.000 0.519 25 P HA -0.076 nan 4.420 nan 0.000 0.215 25 P C 0.646 177.685 177.300 -0.434 0.000 1.153 25 P CA 1.363 64.263 63.100 -0.333 0.000 0.853 25 P CB 0.031 31.444 31.700 -0.479 0.000 0.788 26 Y N -2.866 117.433 120.300 -0.002 0.000 2.458 26 Y HA 0.250 4.800 4.550 -0.000 0.000 0.256 26 Y C 0.657 176.553 175.900 -0.007 0.000 1.159 26 Y CA -0.467 57.633 58.100 0.000 0.000 1.261 26 Y CB -0.825 37.640 38.460 0.008 0.000 1.119 26 Y HN -0.103 nan 8.280 nan 0.000 0.524 27 N N 0.736 119.482 118.700 0.076 0.000 2.714 27 N HA -0.169 4.571 4.740 -0.000 0.000 0.253 27 N C -0.915 174.623 175.510 0.047 0.000 1.024 27 N CA 0.751 53.820 53.050 0.031 0.000 0.726 27 N CB -0.976 37.510 38.487 -0.002 0.000 0.908 27 N HN 0.451 nan 8.380 nan 0.000 0.542 28 A N -0.022 122.842 122.820 0.074 0.000 2.602 28 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 28 A C 0.996 178.611 177.584 0.051 0.000 1.114 28 A CA -0.265 51.811 52.037 0.065 0.000 0.683 28 A CB 0.282 19.337 19.000 0.092 0.000 1.281 28 A HN 0.230 nan 8.150 nan 0.000 0.416 29 I N 0.502 121.093 120.570 0.036 0.000 2.567 29 I HA -0.154 4.015 4.170 -0.000 0.000 0.257 29 I C 2.170 178.306 176.117 0.032 0.000 1.184 29 I CA 2.178 63.491 61.300 0.021 0.000 1.451 29 I CB 0.123 38.137 38.000 0.023 0.000 1.089 29 I HN 0.826 nan 8.210 nan 0.000 0.441 30 T N -3.128 111.453 114.554 0.044 0.000 3.163 30 T HA -0.074 4.276 4.350 -0.000 0.000 0.260 30 T C 1.281 176.036 174.700 0.092 0.000 1.156 30 T CA 0.629 62.758 62.100 0.049 0.000 1.072 30 T CB -0.446 68.428 68.868 0.011 0.000 0.937 30 T HN 0.288 nan 8.240 nan 0.000 0.528 31 D N 1.260 121.720 120.400 0.100 0.000 2.312 31 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 31 D C 0.429 176.759 176.300 0.050 0.000 0.964 31 D CA 0.272 54.327 54.000 0.092 0.000 0.877 31 D CB -0.077 40.762 40.800 0.065 0.000 0.924 31 D HN 0.319 nan 8.370 nan 0.000 0.515 32 V N 3.811 123.745 119.914 0.032 0.000 2.427 32 V HA -0.026 4.093 4.120 -0.000 0.000 0.268 32 V C 0.483 176.595 176.094 0.029 0.000 1.046 32 V CA -0.903 61.407 62.300 0.017 0.000 0.970 32 V CB 0.828 32.638 31.823 -0.022 0.000 1.001 32 V HN 0.176 nan 8.190 nan 0.000 0.476 33 D N 4.635 125.055 120.400 0.033 0.000 2.531 33 D HA 0.076 4.716 4.640 -0.000 0.000 0.239 33 D C 1.094 177.413 176.300 0.031 0.000 1.144 33 D CA 0.866 54.891 54.000 0.041 0.000 0.869 33 D CB 1.047 41.875 40.800 0.047 0.000 1.160 33 D HN 0.933 nan 8.370 nan 0.000 0.484 34 G N 1.683 110.509 108.800 0.044 0.000 2.225 34 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 34 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 34 G C 0.265 175.181 174.900 0.027 0.000 0.988 34 G CA 0.226 45.353 45.100 0.046 0.000 0.625 34 G HN 0.670 nan 8.290 nan 0.000 0.527 35 V N 1.483 121.415 119.914 0.030 0.000 2.461 35 V HA 0.660 4.780 4.120 -0.000 0.000 0.275 35 V C 1.031 177.149 176.094 0.040 0.000 1.047 35 V CA 0.403 62.737 62.300 0.058 0.000 0.955 35 V CB 1.260 33.145 31.823 0.103 0.000 0.988 35 V HN 0.794 nan 8.190 nan 0.000 0.471 36 G N 3.446 112.264 108.800 0.030 0.000 2.473 36 G HA2 0.677 4.636 3.960 -0.000 0.000 0.321 36 G HA3 0.677 4.636 3.960 -0.000 0.000 0.321 36 G C -1.378 173.485 174.900 -0.061 0.000 1.200 36 G CA -0.544 44.548 45.100 -0.014 0.000 0.963 36 G HN 0.547 nan 8.290 nan 0.000 0.483 37 V N -0.005 119.828 119.914 -0.136 0.000 2.588 37 V HA 0.863 4.983 4.120 -0.000 0.000 0.304 37 V C 0.483 176.336 176.094 -0.400 0.000 1.042 37 V CA -0.298 61.833 62.300 -0.281 0.000 0.877 37 V CB 1.749 33.380 31.823 -0.319 0.000 0.996 37 V HN 1.123 nan 8.190 nan 0.000 0.425 38 G N 2.639 111.142 108.800 -0.495 0.000 2.563 38 G HA2 0.808 4.768 3.960 -0.000 0.000 0.302 38 G HA3 0.808 4.768 3.960 -0.000 0.000 0.302 38 G C -1.795 172.779 174.900 -0.543 0.000 1.301 38 G CA -0.413 44.434 45.100 -0.423 0.000 0.965 38 G HN 0.330 nan 8.290 nan 0.000 0.480 39 F N -0.708 119.220 119.950 -0.036 0.000 2.588 39 F HA 0.659 5.186 4.527 -0.000 0.000 0.314 39 F C -0.038 175.743 175.800 -0.031 0.000 1.069 39 F CA -0.932 57.048 58.000 -0.032 0.000 0.931 39 F CB 3.046 42.033 39.000 -0.020 0.000 1.260 39 F HN 0.420 nan 8.300 nan 0.000 0.465 40 Q N 1.248 121.161 119.800 0.188 0.000 2.310 40 Q HA 0.599 4.939 4.340 -0.000 0.000 0.270 40 Q C -1.572 174.474 176.000 0.077 0.000 1.025 40 Q CA -0.258 55.602 55.803 0.095 0.000 0.772 40 Q CB 2.005 30.771 28.738 0.046 0.000 1.253 40 Q HN 0.665 nan 8.270 nan 0.000 0.450 41 T N 5.223 119.802 114.554 0.043 0.000 2.812 41 T HA 0.593 4.942 4.350 -0.000 0.000 0.282 41 T C -0.433 174.266 174.700 -0.000 0.000 0.990 41 T CA -0.391 61.712 62.100 0.004 0.000 0.960 41 T CB 0.468 69.317 68.868 -0.031 0.000 0.948 41 T HN 0.590 nan 8.240 nan 0.000 0.438 42 I N 4.292 124.858 120.570 -0.006 0.000 2.359 42 I HA 0.457 4.626 4.170 -0.000 0.000 0.284 42 I C -0.549 175.558 176.117 -0.017 0.000 1.018 42 I CA -0.484 60.811 61.300 -0.008 0.000 1.173 42 I CB 0.958 38.955 38.000 -0.005 0.000 1.326 42 I HN 0.465 nan 8.210 nan 0.000 0.462 43 I N 6.528 127.089 120.570 -0.015 0.000 2.420 43 I HA 0.353 4.522 4.170 -0.000 0.000 0.282 43 I C -0.367 175.742 176.117 -0.013 0.000 1.019 43 I CA -0.304 60.986 61.300 -0.017 0.000 1.130 43 I CB 1.277 39.266 38.000 -0.017 0.000 1.262 43 I HN 0.573 nan 8.210 nan 0.000 0.454 44 E N 5.023 125.213 120.200 -0.016 0.000 2.277 44 E HA 0.428 4.778 4.350 -0.000 0.000 0.266 44 E C -0.305 176.290 176.600 -0.009 0.000 0.901 44 E CA -0.701 55.689 56.400 -0.016 0.000 0.782 44 E CB 2.018 31.700 29.700 -0.031 0.000 1.228 44 E HN 0.422 nan 8.360 nan 0.000 0.424 45 N N 1.642 120.345 118.700 0.005 0.000 2.194 45 N HA 0.033 4.773 4.740 -0.000 0.000 0.231 45 N C -1.076 174.475 175.510 0.069 0.000 1.247 45 N CA 0.187 53.266 53.050 0.047 0.000 0.884 45 N CB 0.970 39.495 38.487 0.063 0.000 1.146 45 N HN 0.584 nan 8.380 nan 0.000 0.516 46 E N 0.499 120.666 120.200 -0.056 0.000 2.340 46 E HA 0.512 4.862 4.350 -0.000 0.000 0.273 46 E C -3.098 173.303 176.600 -0.333 0.000 0.891 46 E CA -1.956 54.288 56.400 -0.260 0.000 0.757 46 E CB 2.301 31.921 29.700 -0.133 0.000 1.231 46 E HN -0.229 nan 8.360 nan 0.000 0.439 47 P HA 0.146 nan 4.420 nan 0.000 0.271 47 P C -0.739 176.437 177.300 -0.207 0.000 1.218 47 P CA -0.271 62.620 63.100 -0.349 0.000 0.780 47 P CB 0.525 31.974 31.700 -0.417 0.000 0.901 48 R N 2.658 123.082 120.500 -0.127 0.000 2.615 48 R HA 0.288 4.628 4.340 -0.000 0.000 0.270 48 R C -1.970 174.288 176.300 -0.070 0.000 1.081 48 R CA -1.550 54.504 56.100 -0.078 0.000 1.154 48 R CB -0.816 29.457 30.300 -0.044 0.000 1.063 48 R HN 0.387 nan 8.270 nan 0.000 0.519 49 P HA -0.032 nan 4.420 nan 0.000 0.261 49 P C 0.471 177.756 177.300 -0.024 0.000 1.183 49 P CA 0.914 63.993 63.100 -0.035 0.000 0.761 49 P CB 0.462 32.149 31.700 -0.021 0.000 0.785 50 G N 2.095 110.881 108.800 -0.024 0.000 2.195 50 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 50 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 50 G C 0.218 175.111 174.900 -0.011 0.000 0.984 50 G CA -0.396 44.697 45.100 -0.011 0.000 0.633 50 G HN 0.539 nan 8.290 nan 0.000 0.525 51 R N -0.114 120.368 120.500 -0.031 0.000 2.758 51 R HA 0.673 5.013 4.340 -0.000 0.000 0.265 51 R C 0.798 177.062 176.300 -0.059 0.000 1.016 51 R CA -0.715 55.364 56.100 -0.035 0.000 1.040 51 R CB 0.820 31.094 30.300 -0.044 0.000 1.152 51 R HN 0.228 nan 8.270 nan 0.000 0.503 52 K N 0.813 121.190 120.400 -0.040 0.000 2.360 52 K HA 0.234 4.554 4.320 -0.000 0.000 0.196 52 K C 0.142 176.720 176.600 -0.037 0.000 1.049 52 K CA 0.287 56.560 56.287 -0.024 0.000 1.049 52 K CB 0.846 33.363 32.500 0.029 0.000 0.881 52 K HN 0.255 nan 8.250 nan 0.000 0.542 53 R N 1.065 121.528 120.500 -0.062 0.000 2.744 53 R HA 0.337 4.677 4.340 -0.000 0.000 0.279 53 R C -2.865 173.379 176.300 -0.093 0.000 0.977 53 R CA -2.104 53.971 56.100 -0.042 0.000 0.906 53 R CB 1.572 31.865 30.300 -0.012 0.000 1.197 53 R HN -0.137 nan 8.270 nan 0.000 0.463 54 P HA 0.172 nan 4.420 nan 0.000 0.276 54 P C -1.185 176.078 177.300 -0.062 0.000 1.252 54 P CA -0.558 62.491 63.100 -0.086 0.000 0.802 54 P CB 0.827 32.500 31.700 -0.045 0.000 1.035 55 A N 2.405 125.190 122.820 -0.059 0.000 2.260 55 A HA 0.586 4.905 4.320 -0.000 0.000 0.314 55 A C -0.191 177.367 177.584 -0.044 0.000 1.257 55 A CA -0.435 51.570 52.037 -0.052 0.000 0.871 55 A CB -0.090 18.886 19.000 -0.041 0.000 1.166 55 A HN 0.404 nan 8.150 nan 0.000 0.522 56 R N 1.784 122.253 120.500 -0.052 0.000 2.472 56 R HA 0.626 4.966 4.340 -0.000 0.000 0.294 56 R C -0.389 175.878 176.300 -0.056 0.000 1.243 56 R CA 0.106 56.178 56.100 -0.046 0.000 1.023 56 R CB 1.646 31.920 30.300 -0.043 0.000 1.157 56 R HN 0.754 nan 8.270 nan 0.000 0.530 57 S N 0.320 115.994 115.700 -0.043 0.000 2.873 57 S HA 0.927 5.397 4.470 -0.000 0.000 0.303 57 S C -1.105 173.485 174.600 -0.017 0.000 1.222 57 S CA -0.098 58.078 58.200 -0.041 0.000 0.923 57 S CB 1.557 64.727 63.200 -0.051 0.000 1.286 57 S HN 0.696 nan 8.310 nan 0.000 0.571 58 G N -0.413 108.387 108.800 -0.001 0.000 2.323 58 G HA2 0.470 4.430 3.960 -0.000 0.000 0.291 58 G HA3 0.470 4.430 3.960 -0.000 0.000 0.291 58 G C -2.176 172.749 174.900 0.040 0.000 1.278 58 G CA 0.183 45.296 45.100 0.023 0.000 0.860 58 G HN 1.230 nan 8.290 nan 0.000 0.504 59 V N -0.247 119.708 119.914 0.067 0.000 2.808 59 V HA 0.754 4.874 4.120 -0.000 0.000 0.308 59 V C -0.362 175.805 176.094 0.122 0.000 1.099 59 V CA -0.651 61.688 62.300 0.065 0.000 0.920 59 V CB 1.992 33.829 31.823 0.024 0.000 1.014 59 V HN 0.926 nan 8.190 nan 0.000 0.425 60 T N 3.291 117.905 114.554 0.100 0.000 2.829 60 T HA 0.792 5.142 4.350 -0.000 0.000 0.280 60 T C -0.280 174.382 174.700 -0.064 0.000 0.999 60 T CA -0.296 61.857 62.100 0.087 0.000 0.983 60 T CB 1.655 70.634 68.868 0.185 0.000 0.968 60 T HN 1.048 nan 8.240 nan 0.000 0.446 61 A N 3.482 126.191 122.820 -0.185 0.000 2.356 61 A HA 0.826 5.146 4.320 -0.000 0.000 0.310 61 A C -0.830 176.649 177.584 -0.175 0.000 1.075 61 A CA -0.675 51.254 52.037 -0.179 0.000 0.746 61 A CB 0.601 19.453 19.000 -0.246 0.000 1.221 61 A HN 0.835 nan 8.150 nan 0.000 0.443 62 I N 2.857 123.375 120.570 -0.086 0.000 2.389 62 I HA 0.369 4.538 4.170 -0.000 0.000 0.288 62 I C -0.703 175.421 176.117 0.012 0.000 0.999 62 I CA -0.263 61.025 61.300 -0.021 0.000 1.129 62 I CB 1.605 39.650 38.000 0.075 0.000 1.288 62 I HN 0.526 nan 8.210 nan 0.000 0.444 63 L N 8.712 129.946 121.223 0.018 0.000 2.343 63 L HA 0.586 4.926 4.340 -0.000 0.000 0.278 63 L C -2.529 174.375 176.870 0.056 0.000 0.996 63 L CA -1.687 53.183 54.840 0.051 0.000 0.831 63 L CB 2.383 44.489 42.059 0.079 0.000 1.232 63 L HN 0.260 nan 8.230 nan 0.000 0.413 64 P HA 0.183 nan 4.420 nan 0.000 0.277 64 P C -0.751 176.546 177.300 -0.004 0.000 1.240 64 P CA 0.107 63.169 63.100 -0.063 0.000 0.798 64 P CB 0.320 31.876 31.700 -0.241 0.000 0.979 65 H N 0.782 119.890 119.070 0.063 0.000 2.604 65 H HA -0.158 4.398 4.556 -0.000 0.000 0.321 65 H C 1.192 176.568 175.328 0.080 0.000 1.132 65 H CA 0.978 57.056 56.048 0.050 0.000 1.129 65 H CB -1.539 28.227 29.762 0.006 0.000 1.526 65 H HN 0.586 nan 8.280 nan 0.000 0.415 66 M N -0.999 118.699 119.600 0.164 0.000 2.460 66 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 66 M C 2.090 178.480 176.300 0.149 0.000 1.071 66 M CA 1.994 57.392 55.300 0.162 0.000 1.096 66 M CB -0.063 32.606 32.600 0.116 0.000 1.408 66 M HN 0.283 nan 8.290 nan 0.000 0.463 67 Q N 1.174 121.053 119.800 0.131 0.000 2.331 67 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 67 Q C 0.677 176.734 176.000 0.095 0.000 0.944 67 Q CA 0.951 56.812 55.803 0.098 0.000 0.892 67 Q CB -0.377 28.410 28.738 0.080 0.000 0.983 67 Q HN 0.526 nan 8.270 nan 0.000 0.482 68 S N 0.915 116.686 115.700 0.119 0.000 2.560 68 S HA 0.000 4.470 4.470 -0.000 0.000 0.284 68 S C 0.717 175.401 174.600 0.141 0.000 1.327 68 S CA -0.184 58.067 58.200 0.085 0.000 1.055 68 S CB 0.719 63.941 63.200 0.036 0.000 0.868 68 S HN 0.375 nan 8.310 nan 0.000 0.506 69 E N 1.626 121.879 120.200 0.088 0.000 2.358 69 E HA -0.002 4.348 4.350 -0.000 0.000 0.195 69 E C 0.506 177.224 176.600 0.196 0.000 1.010 69 E CA 0.640 57.105 56.400 0.107 0.000 0.856 69 E CB 0.152 29.870 29.700 0.030 0.000 0.795 69 E HN 0.801 nan 8.360 nan 0.000 0.504 70 T N -0.863 113.738 114.554 0.078 0.000 2.887 70 T HA 0.419 4.769 4.350 -0.000 0.000 0.288 70 T C -2.920 171.583 174.700 -0.329 0.000 1.021 70 T CA -2.692 59.349 62.100 -0.099 0.000 1.000 70 T CB 2.040 70.823 68.868 -0.142 0.000 1.034 70 T HN -0.314 nan 8.240 nan 0.000 0.467 71 P HA 0.286 nan 4.420 nan 0.000 0.265 71 P C -0.923 176.189 177.300 -0.313 0.000 1.193 71 P CA -0.388 62.350 63.100 -0.605 0.000 0.765 71 P CB 0.446 31.817 31.700 -0.547 0.000 0.823 72 V N 6.450 126.229 119.914 -0.226 0.000 2.409 72 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 72 V C -2.124 173.827 176.094 -0.238 0.000 1.020 72 V CA -2.186 59.971 62.300 -0.239 0.000 0.848 72 V CB 1.466 33.111 31.823 -0.297 0.000 0.990 72 V HN 0.483 nan 8.190 nan 0.000 0.430 73 P HA 0.108 nan 4.420 nan 0.000 0.265 73 P C -0.673 176.365 177.300 -0.435 0.000 1.193 73 P CA 0.214 63.048 63.100 -0.443 0.000 0.765 73 P CB 0.687 31.898 31.700 -0.815 0.000 0.823 74 V N 5.351 124.998 119.914 -0.444 0.000 2.444 74 V HA 0.255 4.375 4.120 -0.000 0.000 0.294 74 V C -0.525 175.424 176.094 -0.242 0.000 1.022 74 V CA -0.667 61.425 62.300 -0.347 0.000 0.850 74 V CB 0.644 32.172 31.823 -0.492 0.000 0.992 74 V HN 0.372 nan 8.190 nan 0.000 0.426 75 Y N 3.393 123.741 120.300 0.079 0.000 2.578 75 Y HA 0.512 5.062 4.550 -0.000 0.000 0.339 75 Y C 0.698 176.715 175.900 0.195 0.000 1.231 75 Y CA 0.736 58.921 58.100 0.141 0.000 1.461 75 Y CB 0.724 39.240 38.460 0.094 0.000 1.323 75 Y HN 0.776 nan 8.280 nan 0.000 0.590 76 A N 0.791 123.842 122.820 0.384 0.000 2.610 76 A HA 0.855 5.175 4.320 -0.000 0.000 0.291 76 A C -0.698 177.044 177.584 0.263 0.000 1.086 76 A CA -0.173 52.093 52.037 0.382 0.000 0.677 76 A CB 1.362 20.704 19.000 0.570 0.000 1.278 76 A HN 0.991 nan 8.150 nan 0.000 0.414 77 G N -0.653 108.287 108.800 0.233 0.000 2.719 77 G HA2 0.633 4.593 3.960 -0.000 0.000 0.298 77 G HA3 0.633 4.593 3.960 -0.000 0.000 0.298 77 G C -1.620 173.380 174.900 0.167 0.000 1.411 77 G CA -0.410 44.788 45.100 0.165 0.000 0.991 77 G HN 1.117 nan 8.290 nan 0.000 0.509 78 V N 1.530 121.528 119.914 0.140 0.000 2.815 78 V HA 0.582 4.702 4.120 -0.000 0.000 0.314 78 V C -0.699 175.508 176.094 0.189 0.000 1.064 78 V CA -0.837 61.544 62.300 0.136 0.000 0.952 78 V CB 2.121 33.979 31.823 0.058 0.000 1.020 78 V HN 0.862 nan 8.190 nan 0.000 0.439 79 H N 3.991 123.106 119.070 0.075 0.000 2.823 79 H HA 0.432 4.988 4.556 -0.000 0.000 0.332 79 H C -0.567 174.694 175.328 -0.112 0.000 0.980 79 H CA -0.782 55.297 56.048 0.052 0.000 1.286 79 H CB 1.268 31.145 29.762 0.191 0.000 1.541 79 H HN 0.608 nan 8.280 nan 0.000 0.521 80 R N 5.367 125.534 120.500 -0.555 0.000 2.408 80 R HA 0.023 4.363 4.340 -0.000 0.000 0.308 80 R C -0.005 175.836 176.300 -0.764 0.000 1.210 80 R CA -0.283 55.495 56.100 -0.538 0.000 1.115 80 R CB -0.125 29.998 30.300 -0.294 0.000 1.127 80 R HN 0.537 nan 8.270 nan 0.000 0.523 81 F N 3.115 122.505 119.950 -0.933 0.000 2.128 81 F HA 0.031 4.558 4.527 -0.000 0.000 0.295 81 F C 0.427 176.055 175.800 -0.286 0.000 1.100 81 F CA 1.161 58.833 58.000 -0.545 0.000 1.260 81 F CB 0.312 39.123 39.000 -0.315 0.000 1.009 81 F HN 0.408 nan 8.300 nan 0.000 0.476 82 N N -0.487 118.059 118.700 -0.255 0.000 2.571 82 N HA 0.164 4.904 4.740 -0.000 0.000 0.286 82 N C 0.032 175.451 175.510 -0.151 0.000 1.138 82 N CA 0.212 53.130 53.050 -0.220 0.000 0.859 82 N CB 1.365 39.797 38.487 -0.092 0.000 1.414 82 N HN 0.217 nan 8.380 nan 0.000 0.529 83 G N 2.046 110.755 108.800 -0.153 0.000 3.295 83 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.231 83 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.231 83 G C 0.563 175.416 174.900 -0.077 0.000 1.277 83 G CA -0.187 44.842 45.100 -0.119 0.000 1.013 83 G HN 0.528 nan 8.290 nan 0.000 0.509 84 N N 1.352 120.015 118.700 -0.061 0.000 3.259 84 N HA 0.345 5.084 4.740 -0.000 0.000 0.308 84 N C 0.461 175.951 175.510 -0.033 0.000 1.334 84 N CA 0.411 53.435 53.050 -0.044 0.000 1.202 84 N CB 0.031 38.495 38.487 -0.038 0.000 1.485 84 N HN 0.341 nan 8.380 nan 0.000 0.549 85 G N -0.295 108.487 108.800 -0.031 0.000 2.441 85 G HA2 0.286 4.246 3.960 -0.000 0.000 0.294 85 G HA3 0.286 4.246 3.960 -0.000 0.000 0.294 85 G C -1.861 173.031 174.900 -0.014 0.000 1.393 85 G CA -0.535 44.557 45.100 -0.012 0.000 0.796 85 G HN 0.218 nan 8.290 nan 0.000 0.494 86 E N -0.460 119.742 120.200 0.003 0.000 2.212 86 E HA 0.768 5.117 4.350 -0.000 0.000 0.268 86 E C -0.685 175.911 176.600 -0.007 0.000 0.902 86 E CA -0.771 55.630 56.400 0.002 0.000 0.779 86 E CB 1.724 31.442 29.700 0.030 0.000 1.172 86 E HN 0.642 nan 8.360 nan 0.000 0.409 87 M N 4.299 123.883 119.600 -0.027 0.000 2.164 87 M HA 0.293 4.773 4.480 -0.000 0.000 0.260 87 M C -1.025 175.246 176.300 -0.048 0.000 0.974 87 M CA -0.377 54.901 55.300 -0.037 0.000 1.020 87 M CB 1.190 33.755 32.600 -0.059 0.000 1.903 87 M HN 0.716 nan 8.290 nan 0.000 0.469 88 T N 0.638 115.188 114.554 -0.007 0.000 2.754 88 T HA 0.661 5.011 4.350 -0.000 0.000 0.286 88 T C 1.096 175.784 174.700 -0.018 0.000 0.997 88 T CA 0.629 62.737 62.100 0.013 0.000 0.982 88 T CB 1.290 70.245 68.868 0.146 0.000 1.027 88 T HN 1.379 nan 8.240 nan 0.000 0.529 89 G N 0.127 108.937 108.800 0.016 0.000 2.148 89 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.254 89 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.254 89 G C 0.804 175.697 174.900 -0.011 0.000 0.981 89 G CA 1.157 46.280 45.100 0.040 0.000 0.670 89 G HN 1.615 nan 8.290 nan 0.000 0.528 90 T N -3.555 110.914 114.554 -0.143 0.000 3.081 90 T HA 0.119 4.469 4.350 -0.000 0.000 0.255 90 T C 1.810 176.463 174.700 -0.079 0.000 1.113 90 T CA 1.284 63.307 62.100 -0.128 0.000 1.082 90 T CB -0.257 68.508 68.868 -0.171 0.000 0.939 90 T HN 0.465 nan 8.240 nan 0.000 0.506 91 H N -0.191 118.951 119.070 0.119 0.000 2.353 91 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 91 H C 1.812 177.282 175.328 0.237 0.000 1.090 91 H CA 1.377 57.514 56.048 0.148 0.000 1.327 91 H CB -0.449 29.399 29.762 0.144 0.000 1.383 91 H HN 0.551 nan 8.280 nan 0.000 0.508 92 W N 1.190 122.559 121.300 0.116 0.000 2.658 92 W HA -0.001 4.659 4.660 -0.000 0.000 0.263 92 W C 1.777 178.270 176.519 -0.043 0.000 1.274 92 W CA 0.171 57.533 57.345 0.029 0.000 1.343 92 W CB 0.050 29.518 29.460 0.013 0.000 1.106 92 W HN 0.061 nan 8.180 nan 0.000 0.615 93 I N 0.736 121.323 120.570 0.029 0.000 2.179 93 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 93 I C 2.435 178.507 176.117 -0.075 0.000 1.088 93 I CA 1.323 62.600 61.300 -0.037 0.000 1.357 93 I CB -0.414 37.625 38.000 0.066 0.000 1.051 93 I HN -0.145 nan 8.210 nan 0.000 0.409 94 E N 0.576 120.769 120.200 -0.012 0.000 2.051 94 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 94 E C 1.633 178.191 176.600 -0.070 0.000 0.991 94 E CA 1.368 57.769 56.400 0.002 0.000 0.799 94 E CB -0.190 29.551 29.700 0.068 0.000 0.748 94 E HN 0.500 nan 8.360 nan 0.000 0.449 95 D N -0.906 119.412 120.400 -0.136 0.000 2.259 95 D HA 0.013 4.653 4.640 -0.000 0.000 0.216 95 D C 1.855 177.749 176.300 -0.678 0.000 0.961 95 D CA 1.105 54.967 54.000 -0.231 0.000 0.878 95 D CB -0.166 40.647 40.800 0.022 0.000 1.009 95 D HN 0.234 nan 8.370 nan 0.000 0.490 96 G N -0.580 107.331 108.800 -1.482 0.000 2.539 96 G HA2 0.244 4.204 3.960 -0.000 0.000 0.215 96 G HA3 0.244 4.204 3.960 -0.000 0.000 0.215 96 G C 1.237 175.680 174.900 -0.762 0.000 1.141 96 G CA 0.720 44.695 45.100 -1.876 0.000 0.806 96 G HN 0.452 nan 8.290 nan 0.000 0.533 97 G N -1.499 106.986 108.800 -0.525 0.000 2.176 97 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.232 97 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.232 97 G C 0.163 175.162 174.900 0.166 0.000 0.986 97 G CA 0.739 45.815 45.100 -0.040 0.000 0.643 97 G HN 1.412 nan 8.290 nan 0.000 0.522 98 Y N -1.392 118.910 120.300 0.002 0.000 2.705 98 Y HA 0.821 5.371 4.550 -0.000 0.000 0.332 98 Y C -0.488 175.514 175.900 0.170 0.000 1.221 98 Y CA -2.427 55.694 58.100 0.034 0.000 1.059 98 Y CB 0.533 38.883 38.460 -0.184 0.000 1.298 98 Y HN 0.800 nan 8.280 nan 0.000 0.459 99 F N 0.031 120.116 119.950 0.224 0.000 2.650 99 F HA 0.892 5.418 4.527 -0.000 0.000 0.320 99 F C -2.373 173.542 175.800 0.191 0.000 1.091 99 F CA -1.420 56.688 58.000 0.181 0.000 0.962 99 F CB 1.339 40.377 39.000 0.063 0.000 1.363 99 F HN 0.480 nan 8.300 nan 0.000 0.482 100 L N 1.440 122.830 121.223 0.278 0.000 2.354 100 L HA 0.901 5.241 4.340 -0.000 0.000 0.264 100 L C 0.425 177.415 176.870 0.199 0.000 1.008 100 L CA 0.103 54.994 54.840 0.085 0.000 0.819 100 L CB 1.036 43.179 42.059 0.141 0.000 1.339 100 L HN 1.261 nan 8.230 nan 0.000 0.420 101 G N 2.782 111.651 108.800 0.115 0.000 2.698 101 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.225 101 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.225 101 G C -2.989 172.063 174.900 0.254 0.000 1.345 101 G CA -0.654 44.593 45.100 0.245 0.000 0.871 101 G HN 0.493 nan 8.290 nan 0.000 0.540 102 P HA 0.570 nan 4.420 nan 0.000 0.281 102 P C -0.299 177.036 177.300 0.058 0.000 1.264 102 P CA -0.507 62.656 63.100 0.104 0.000 0.824 102 P CB 1.518 33.202 31.700 -0.027 0.000 1.092 103 V N 1.650 121.569 119.914 0.008 0.000 2.432 103 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 103 V C 0.351 176.415 176.094 -0.051 0.000 1.043 103 V CA -0.388 61.870 62.300 -0.071 0.000 0.925 103 V CB 1.406 33.198 31.823 -0.052 0.000 0.985 103 V HN 0.237 nan 8.190 nan 0.000 0.466 104 V N 6.762 126.642 119.914 -0.058 0.000 2.487 104 V HA 0.557 4.677 4.120 -0.000 0.000 0.298 104 V C -0.269 175.817 176.094 -0.013 0.000 1.028 104 V CA -0.426 61.846 62.300 -0.047 0.000 0.860 104 V CB 1.815 33.601 31.823 -0.061 0.000 0.991 104 V HN 0.680 nan 8.190 nan 0.000 0.427 105 I N 3.732 124.307 120.570 0.009 0.000 2.509 105 I HA 0.725 4.895 4.170 -0.000 0.000 0.293 105 I C 0.130 176.271 176.117 0.041 0.000 1.020 105 I CA -0.104 61.215 61.300 0.032 0.000 1.088 105 I CB 2.247 40.278 38.000 0.051 0.000 1.267 105 I HN 0.701 nan 8.210 nan 0.000 0.430 106 T N 3.023 117.602 114.554 0.041 0.000 2.584 106 T HA 0.346 4.696 4.350 -0.000 0.000 0.273 106 T C -1.310 173.406 174.700 0.025 0.000 0.978 106 T CA -0.563 61.560 62.100 0.037 0.000 1.159 106 T CB 1.103 69.996 68.868 0.042 0.000 1.556 106 T HN 0.808 nan 8.240 nan 0.000 0.472 107 N N -0.286 118.420 118.700 0.009 0.000 2.458 107 N HA 0.364 5.103 4.740 -0.000 0.000 0.271 107 N C 0.987 176.501 175.510 0.006 0.000 1.210 107 N CA 0.028 53.062 53.050 -0.026 0.000 0.978 107 N CB 0.370 38.799 38.487 -0.097 0.000 1.206 107 N HN 0.436 nan 8.380 nan 0.000 0.536 108 T N -0.932 113.615 114.554 -0.012 0.000 2.720 108 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 108 T C 0.670 175.473 174.700 0.173 0.000 1.037 108 T CA 1.470 63.603 62.100 0.054 0.000 1.144 108 T CB -0.504 68.383 68.868 0.032 0.000 0.864 108 T HN 0.530 nan 8.240 nan 0.000 0.444 109 H N -0.042 119.039 119.070 0.018 0.000 2.533 109 H HA 0.401 4.957 4.556 -0.000 0.000 0.271 109 H C 1.980 177.368 175.328 0.099 0.000 1.000 109 H CA -0.300 55.759 56.048 0.019 0.000 1.149 109 H CB -0.377 29.258 29.762 -0.211 0.000 1.375 109 H HN 0.436 nan 8.280 nan 0.000 0.582 110 G N -0.045 108.863 108.800 0.180 0.000 3.126 110 G HA2 0.027 3.987 3.960 -0.000 0.000 0.224 110 G HA3 0.027 3.987 3.960 -0.000 0.000 0.224 110 G C 1.509 176.502 174.900 0.155 0.000 1.142 110 G CA -0.196 45.006 45.100 0.171 0.000 0.759 110 G HN 0.158 nan 8.290 nan 0.000 0.550 111 I N 2.210 122.873 120.570 0.154 0.000 2.151 111 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 111 I C 2.895 179.106 176.117 0.157 0.000 1.080 111 I CA 1.799 63.182 61.300 0.139 0.000 1.339 111 I CB -1.237 36.836 38.000 0.122 0.000 1.039 111 I HN 0.225 nan 8.210 nan 0.000 0.409 112 G N 0.339 109.224 108.800 0.143 0.000 2.459 112 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 112 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 112 G C 1.658 176.654 174.900 0.159 0.000 1.183 112 G CA 1.102 46.271 45.100 0.116 0.000 0.776 112 G HN 0.266 nan 8.290 nan 0.000 0.552 113 M N 1.530 121.218 119.600 0.146 0.000 2.175 113 M HA 0.232 4.711 4.480 -0.000 0.000 0.264 113 M C 2.618 179.028 176.300 0.183 0.000 1.063 113 M CA 1.392 56.783 55.300 0.153 0.000 1.119 113 M CB -0.498 32.179 32.600 0.128 0.000 1.377 113 M HN 0.238 nan 8.290 nan 0.000 0.415 114 A N -1.157 121.756 122.820 0.154 0.000 1.930 114 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 114 A C 2.307 179.969 177.584 0.130 0.000 1.175 114 A CA 1.868 53.974 52.037 0.114 0.000 0.627 114 A CB -1.227 17.823 19.000 0.083 0.000 0.815 114 A HN 0.716 nan 8.150 nan 0.000 0.443 115 H N -1.073 118.050 119.070 0.089 0.000 2.326 115 H HA -0.191 4.365 4.556 -0.000 0.000 0.301 115 H C 2.078 177.476 175.328 0.115 0.000 1.081 115 H CA 2.247 58.347 56.048 0.087 0.000 1.334 115 H CB -0.419 29.393 29.762 0.084 0.000 1.385 115 H HN 0.737 nan 8.280 nan 0.000 0.504 116 H N 0.394 119.602 119.070 0.231 0.000 2.319 116 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 116 H C 2.227 177.613 175.328 0.096 0.000 1.092 116 H CA 2.422 58.562 56.048 0.154 0.000 1.302 116 H CB -0.336 29.492 29.762 0.110 0.000 1.373 116 H HN 0.388 nan 8.280 nan 0.000 0.497 117 A N -0.742 122.146 122.820 0.113 0.000 1.933 117 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 117 A C 2.489 180.093 177.584 0.032 0.000 1.175 117 A CA 1.972 54.033 52.037 0.039 0.000 0.628 117 A CB -0.950 18.101 19.000 0.085 0.000 0.814 117 A HN 0.583 nan 8.150 nan 0.000 0.444 118 T N -0.341 114.220 114.554 0.012 0.000 2.777 118 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 118 T C 1.885 176.627 174.700 0.070 0.000 1.040 118 T CA 1.482 63.598 62.100 0.027 0.000 1.141 118 T CB -0.371 68.461 68.868 -0.060 0.000 0.868 118 T HN 0.169 nan 8.240 nan 0.000 0.444 119 V N 1.793 121.682 119.914 -0.042 0.000 2.295 119 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 119 V C 2.692 178.756 176.094 -0.050 0.000 1.049 119 V CA 1.540 63.801 62.300 -0.066 0.000 1.024 119 V CB -0.549 31.233 31.823 -0.069 0.000 0.648 119 V HN 0.387 nan 8.190 nan 0.000 0.447 120 R N -1.318 119.137 120.500 -0.074 0.000 2.081 120 R HA -0.235 4.105 4.340 -0.000 0.000 0.235 120 R C 2.132 178.453 176.300 0.035 0.000 1.131 120 R CA 2.074 58.133 56.100 -0.069 0.000 0.960 120 R CB -0.593 29.622 30.300 -0.143 0.000 0.856 120 R HN 0.700 nan 8.270 nan 0.000 0.436 121 W N 1.339 122.588 121.300 -0.086 0.000 2.388 121 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 121 W C 2.032 178.527 176.519 -0.040 0.000 1.212 121 W CA 1.185 58.495 57.345 -0.058 0.000 1.271 121 W CB -0.098 29.334 29.460 -0.046 0.000 1.126 121 W HN -0.063 nan 8.180 nan 0.000 0.535 122 M N -0.478 119.231 119.600 0.182 0.000 2.175 122 M HA -0.209 4.271 4.480 -0.000 0.000 0.264 122 M C 1.829 178.137 176.300 0.013 0.000 1.063 122 M CA 1.483 56.847 55.300 0.107 0.000 1.119 122 M CB -0.689 32.037 32.600 0.210 0.000 1.377 122 M HN -0.149 nan 8.290 nan 0.000 0.415 123 V N 0.481 120.352 119.914 -0.072 0.000 2.407 123 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 123 V C 1.703 177.784 176.094 -0.022 0.000 1.055 123 V CA 1.794 64.083 62.300 -0.017 0.000 1.049 123 V CB -0.696 31.093 31.823 -0.057 0.000 0.662 123 V HN 0.414 nan 8.190 nan 0.000 0.455 124 D N -0.204 120.113 120.400 -0.138 0.000 2.091 124 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 124 D C 2.312 178.419 176.300 -0.322 0.000 0.980 124 D CA 1.229 55.111 54.000 -0.197 0.000 0.831 124 D CB -0.296 40.376 40.800 -0.214 0.000 0.987 124 D HN 0.244 nan 8.370 nan 0.000 0.460 125 R N 0.316 120.440 120.500 -0.626 0.000 2.081 125 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 125 R C 0.541 176.429 176.300 -0.686 0.000 1.131 125 R CA 1.226 56.801 56.100 -0.876 0.000 0.960 125 R CB -0.752 28.538 30.300 -1.685 0.000 0.856 125 R HN 0.200 nan 8.270 nan 0.000 0.436 126 Y N 0.136 120.336 120.300 -0.168 0.000 2.839 126 Y HA 0.476 5.026 4.550 -0.000 0.000 0.361 126 Y C 1.232 177.120 175.900 -0.020 0.000 1.008 126 Y CA -0.257 57.806 58.100 -0.062 0.000 1.534 126 Y CB -0.072 38.408 38.460 0.032 0.000 1.395 126 Y HN 0.168 nan 8.280 nan 0.000 0.534 127 A N 0.183 123.020 122.820 0.028 0.000 1.948 127 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 127 A C 2.367 179.956 177.584 0.009 0.000 1.177 127 A CA 2.256 54.308 52.037 0.025 0.000 0.636 127 A CB -0.735 18.248 19.000 -0.028 0.000 0.815 127 A HN 0.529 nan 8.150 nan 0.000 0.449 128 S N -1.609 114.083 115.700 -0.013 0.000 2.507 128 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 128 S C 1.551 176.106 174.600 -0.075 0.000 0.988 128 S CA 1.623 59.801 58.200 -0.037 0.000 0.944 128 S CB -0.551 62.627 63.200 -0.037 0.000 0.762 128 S HN 0.501 nan 8.310 nan 0.000 0.526 129 T N 0.444 114.920 114.554 -0.129 0.000 2.980 129 T HA 0.208 4.558 4.350 -0.000 0.000 0.239 129 T C 1.021 175.509 174.700 -0.352 0.000 1.011 129 T CA 0.718 62.626 62.100 -0.320 0.000 1.171 129 T CB -0.327 68.171 68.868 -0.618 0.000 0.873 129 T HN 0.484 nan 8.240 nan 0.000 0.431 130 Y N 1.612 121.908 120.300 -0.006 0.000 2.503 130 Y HA 0.289 4.839 4.550 -0.000 0.000 0.278 130 Y C 1.478 177.367 175.900 -0.019 0.000 1.111 130 Y CA 0.045 58.132 58.100 -0.023 0.000 1.270 130 Y CB -0.056 38.404 38.460 -0.001 0.000 1.063 130 Y HN 0.188 nan 8.280 nan 0.000 0.548 131 Q N 1.486 121.347 119.800 0.102 0.000 3.135 131 Q HA 0.222 4.562 4.340 -0.000 0.000 0.344 131 Q C -0.041 175.966 176.000 0.013 0.000 1.321 131 Q CA -0.182 55.654 55.803 0.055 0.000 1.050 131 Q CB 0.052 28.813 28.738 0.038 0.000 1.498 131 Q HN 0.322 nan 8.270 nan 0.000 0.503 132 T N -4.506 110.047 114.554 -0.000 0.000 2.716 132 T HA 0.266 4.616 4.350 -0.000 0.000 0.286 132 T C 0.048 174.707 174.700 -0.068 0.000 1.052 132 T CA -0.704 61.373 62.100 -0.038 0.000 1.024 132 T CB 1.145 69.979 68.868 -0.057 0.000 1.349 132 T HN -0.082 nan 8.240 nan 0.000 0.525 133 D N 0.567 120.898 120.400 -0.115 0.000 2.340 133 D HA 0.181 4.821 4.640 -0.000 0.000 0.220 133 D C -0.249 175.812 176.300 -0.397 0.000 1.039 133 D CA 0.137 54.012 54.000 -0.209 0.000 0.866 133 D CB -0.017 40.679 40.800 -0.174 0.000 0.913 133 D HN 0.406 nan 8.370 nan 0.000 0.523 134 D N 0.059 120.293 120.400 -0.277 0.000 2.399 134 D HA -0.024 4.616 4.640 -0.000 0.000 0.241 134 D C -0.114 176.015 176.300 -0.285 0.000 1.133 134 D CA 0.162 53.979 54.000 -0.305 0.000 0.890 134 D CB 0.544 41.236 40.800 -0.180 0.000 1.201 134 D HN -0.030 nan 8.370 nan 0.000 0.432 135 F N 2.129 122.068 119.950 -0.018 0.000 2.377 135 F HA 0.199 4.726 4.527 -0.000 0.000 0.360 135 F C 0.053 175.818 175.800 -0.059 0.000 1.147 135 F CA -0.534 57.497 58.000 0.052 0.000 1.170 135 F CB -0.001 39.081 39.000 0.137 0.000 1.339 135 F HN -0.062 nan 8.300 nan 0.000 0.552 136 L N 3.146 124.429 121.223 0.099 0.000 2.354 136 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 136 L C -0.849 176.067 176.870 0.077 0.000 1.005 136 L CA -1.457 53.262 54.840 -0.201 0.000 0.819 136 L CB 1.699 43.684 42.059 -0.124 0.000 1.311 136 L HN 0.577 nan 8.230 nan 0.000 0.423 137 W N 2.080 123.419 121.300 0.064 0.000 2.950 137 W HA 0.872 5.532 4.660 -0.000 0.000 0.340 137 W C -1.268 175.259 176.519 0.013 0.000 1.139 137 W CA -0.884 56.472 57.345 0.018 0.000 1.188 137 W CB 0.733 30.187 29.460 -0.010 0.000 1.426 137 W HN 0.216 nan 8.180 nan 0.000 0.531 138 I N 2.812 123.474 120.570 0.154 0.000 2.433 138 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 138 I C -0.392 175.813 176.117 0.146 0.000 1.001 138 I CA -1.279 60.049 61.300 0.047 0.000 1.119 138 I CB 1.690 39.591 38.000 -0.166 0.000 1.289 138 I HN 0.464 nan 8.210 nan 0.000 0.438 139 M N 7.822 127.522 119.600 0.168 0.000 1.960 139 M HA 0.332 4.811 4.480 -0.000 0.000 0.271 139 M C -2.544 173.830 176.300 0.124 0.000 0.862 139 M CA -1.582 53.836 55.300 0.196 0.000 0.854 139 M CB 1.160 33.915 32.600 0.258 0.000 1.575 139 M HN 0.207 nan 8.290 nan 0.000 0.375 140 P HA 0.188 nan 4.420 nan 0.000 0.272 140 P C -0.588 176.689 177.300 -0.039 0.000 1.230 140 P CA -0.400 62.663 63.100 -0.061 0.000 0.788 140 P CB 0.902 32.471 31.700 -0.217 0.000 0.949 141 V N 2.238 122.101 119.914 -0.086 0.000 2.318 141 V HA 0.210 4.330 4.120 -0.000 0.000 0.271 141 V C 0.153 176.189 176.094 -0.097 0.000 1.030 141 V CA -0.340 61.868 62.300 -0.153 0.000 0.844 141 V CB 1.081 32.651 31.823 -0.421 0.000 1.015 141 V HN 0.228 nan 8.190 nan 0.000 0.460 142 V N 4.305 124.207 119.914 -0.020 0.000 2.487 142 V HA 0.930 5.050 4.120 -0.000 0.000 0.298 142 V C 0.221 176.328 176.094 0.022 0.000 1.028 142 V CA -0.311 61.999 62.300 0.016 0.000 0.860 142 V CB 1.572 33.445 31.823 0.084 0.000 0.991 142 V HN 0.929 nan 8.190 nan 0.000 0.427 143 A N 4.344 127.173 122.820 0.015 0.000 2.486 143 A HA 1.113 5.433 4.320 -0.000 0.000 0.289 143 A C -0.937 176.667 177.584 0.034 0.000 1.176 143 A CA -0.598 51.450 52.037 0.018 0.000 0.757 143 A CB 2.288 21.291 19.000 0.004 0.000 1.337 143 A HN 1.051 nan 8.150 nan 0.000 0.423 144 E N -1.296 118.926 120.200 0.036 0.000 2.423 144 E HA 0.685 5.035 4.350 -0.000 0.000 0.280 144 E C -0.708 175.921 176.600 0.048 0.000 1.030 144 E CA -0.304 56.123 56.400 0.045 0.000 0.812 144 E CB 1.288 31.021 29.700 0.055 0.000 1.313 144 E HN 0.947 nan 8.360 nan 0.000 0.456 145 T N -2.173 112.412 114.554 0.052 0.000 2.883 145 T HA 0.530 4.880 4.350 -0.000 0.000 0.296 145 T C -1.512 173.238 174.700 0.082 0.000 1.117 145 T CA -0.869 61.274 62.100 0.071 0.000 1.006 145 T CB 0.934 69.844 68.868 0.070 0.000 1.191 145 T HN 0.575 nan 8.240 nan 0.000 0.508 146 Y N 2.429 122.702 120.300 -0.044 0.000 2.367 146 Y HA 0.417 4.967 4.550 -0.000 0.000 0.342 146 Y C 0.052 175.907 175.900 -0.075 0.000 0.979 146 Y CA -1.007 57.040 58.100 -0.089 0.000 1.161 146 Y CB 0.828 39.233 38.460 -0.092 0.000 1.155 146 Y HN 0.816 nan 8.280 nan 0.000 0.503 147 D N 2.237 122.325 120.400 -0.520 0.000 2.615 147 D HA 0.152 4.792 4.640 -0.000 0.000 0.236 147 D C 1.504 177.422 176.300 -0.637 0.000 1.233 147 D CA 0.058 53.799 54.000 -0.431 0.000 0.829 147 D CB 0.077 40.736 40.800 -0.235 0.000 1.024 147 D HN 0.732 nan 8.370 nan 0.000 0.490 148 G N 0.174 108.188 108.800 -1.310 0.000 2.509 148 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.218 148 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.218 148 G C 1.451 176.164 174.900 -0.311 0.000 1.124 148 G CA 0.518 45.128 45.100 -0.817 0.000 0.776 148 G HN 0.453 nan 8.290 nan 0.000 0.547 149 A N -0.018 122.677 122.820 -0.209 0.000 1.929 149 A HA 0.242 4.562 4.320 -0.000 0.000 0.216 149 A C 2.023 179.561 177.584 -0.077 0.000 1.176 149 A CA 0.986 52.980 52.037 -0.073 0.000 0.628 149 A CB -0.099 18.884 19.000 -0.029 0.000 0.816 149 A HN 0.306 nan 8.150 nan 0.000 0.444 150 L N -1.199 119.960 121.223 -0.106 0.000 2.638 150 L HA 0.311 4.651 4.340 -0.000 0.000 0.232 150 L C 0.205 177.023 176.870 -0.086 0.000 1.099 150 L CA 0.359 55.155 54.840 -0.073 0.000 0.883 150 L CB -0.552 41.472 42.059 -0.060 0.000 1.136 150 L HN 0.489 nan 8.230 nan 0.000 0.492 151 N N -0.911 117.705 118.700 -0.140 0.000 2.335 151 N HA 0.119 4.859 4.740 -0.000 0.000 0.304 151 N C -0.670 174.754 175.510 -0.143 0.000 1.135 151 N CA -0.433 52.536 53.050 -0.136 0.000 0.817 151 N CB 1.425 39.811 38.487 -0.168 0.000 1.294 151 N HN -0.140 nan 8.380 nan 0.000 0.497 152 D N 2.967 123.301 120.400 -0.110 0.000 2.600 152 D HA 0.060 4.700 4.640 -0.000 0.000 0.226 152 D C 1.189 177.404 176.300 -0.142 0.000 1.119 152 D CA 0.045 53.986 54.000 -0.099 0.000 1.051 152 D CB -0.722 40.037 40.800 -0.069 0.000 1.106 152 D HN 0.620 nan 8.370 nan 0.000 0.491 153 I N 1.656 122.107 120.570 -0.199 0.000 2.361 153 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 153 I C 1.038 176.956 176.117 -0.331 0.000 1.133 153 I CA 0.758 61.890 61.300 -0.279 0.000 1.413 153 I CB 0.162 37.931 38.000 -0.385 0.000 1.073 153 I HN 0.174 nan 8.210 nan 0.000 0.424 154 N N 0.836 119.412 118.700 -0.205 0.000 2.461 154 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 154 N C 1.405 176.834 175.510 -0.135 0.000 1.134 154 N CA 0.813 53.727 53.050 -0.226 0.000 0.878 154 N CB 0.144 38.635 38.487 0.007 0.000 0.972 154 N HN 0.438 nan 8.380 nan 0.000 0.456 155 G N -0.643 108.094 108.800 -0.105 0.000 3.042 155 G HA2 0.010 3.970 3.960 -0.000 0.000 0.212 155 G HA3 0.010 3.970 3.960 -0.000 0.000 0.212 155 G C -0.074 174.937 174.900 0.185 0.000 1.166 155 G CA -0.448 44.693 45.100 0.067 0.000 0.767 155 G HN 0.199 nan 8.290 nan 0.000 0.546 156 F N -0.075 119.897 119.950 0.037 0.000 2.866 156 F HA -0.170 4.357 4.527 -0.000 0.000 0.254 156 F C -0.449 175.362 175.800 0.018 0.000 1.009 156 F CA 0.149 58.170 58.000 0.036 0.000 0.907 156 F CB -1.264 37.753 39.000 0.029 0.000 0.859 156 F HN 0.234 nan 8.300 nan 0.000 0.842 157 P HA -0.045 nan 4.420 nan 0.000 0.221 157 P C 0.529 177.867 177.300 0.064 0.000 1.150 157 P CA 0.908 64.043 63.100 0.057 0.000 0.800 157 P CB 0.330 32.033 31.700 0.005 0.000 0.787 158 V N 2.344 122.304 119.914 0.076 0.000 2.455 158 V HA 0.136 4.256 4.120 -0.000 0.000 0.273 158 V C 1.153 177.301 176.094 0.090 0.000 1.045 158 V CA 0.110 62.452 62.300 0.071 0.000 0.976 158 V CB 0.403 32.265 31.823 0.065 0.000 0.993 158 V HN 0.271 nan 8.190 nan 0.000 0.475 159 T N 0.682 115.279 114.554 0.071 0.000 2.910 159 T HA 0.352 4.702 4.350 -0.000 0.000 0.279 159 T C 1.029 175.776 174.700 0.077 0.000 0.989 159 T CA -0.321 61.822 62.100 0.073 0.000 0.968 159 T CB 1.541 70.443 68.868 0.057 0.000 1.135 159 T HN 0.636 nan 8.240 nan 0.000 0.562 160 E N 0.192 120.447 120.200 0.092 0.000 2.085 160 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 160 E C 2.262 178.907 176.600 0.074 0.000 0.994 160 E CA 1.298 57.762 56.400 0.107 0.000 0.801 160 E CB -0.593 29.194 29.700 0.145 0.000 0.743 160 E HN 0.758 nan 8.360 nan 0.000 0.453 161 A N 1.124 123.982 122.820 0.063 0.000 1.933 161 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 161 A C 1.813 179.419 177.584 0.036 0.000 1.175 161 A CA 1.744 53.812 52.037 0.051 0.000 0.628 161 A CB -0.418 18.609 19.000 0.045 0.000 0.814 161 A HN 0.294 nan 8.150 nan 0.000 0.444 162 D N -0.460 119.962 120.400 0.036 0.000 2.117 162 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 162 D C 2.105 178.409 176.300 0.007 0.000 0.987 162 D CA 1.658 55.673 54.000 0.025 0.000 0.829 162 D CB -0.440 40.380 40.800 0.032 0.000 0.961 162 D HN 0.337 nan 8.370 nan 0.000 0.460 163 V N 0.941 120.859 119.914 0.007 0.000 2.453 163 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 163 V C 2.167 178.200 176.094 -0.102 0.000 1.048 163 V CA 1.269 63.546 62.300 -0.037 0.000 1.049 163 V CB -0.188 31.623 31.823 -0.020 0.000 0.672 163 V HN 0.027 nan 8.190 nan 0.000 0.457 164 R N -0.104 120.363 120.500 -0.055 0.000 2.096 164 R HA -0.114 4.225 4.340 -0.000 0.000 0.235 164 R C 2.539 178.797 176.300 -0.071 0.000 1.127 164 R CA 1.575 57.636 56.100 -0.065 0.000 0.968 164 R CB -0.425 29.923 30.300 0.081 0.000 0.861 164 R HN 0.459 nan 8.270 nan 0.000 0.440 165 K N 0.741 121.125 120.400 -0.027 0.000 2.063 165 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 165 K C 1.965 178.535 176.600 -0.051 0.000 1.048 165 K CA 1.492 57.771 56.287 -0.014 0.000 0.928 165 K CB -0.083 32.422 32.500 0.009 0.000 0.713 165 K HN 0.139 nan 8.250 nan 0.000 0.442 166 A N 1.361 124.133 122.820 -0.080 0.000 1.877 166 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 166 A C 2.275 179.732 177.584 -0.211 0.000 1.186 166 A CA 1.257 53.228 52.037 -0.109 0.000 0.620 166 A CB -0.589 18.357 19.000 -0.089 0.000 0.822 166 A HN 0.285 nan 8.150 nan 0.000 0.443 167 L N -0.517 120.490 121.223 -0.360 0.000 2.046 167 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 167 L C 1.897 178.577 176.870 -0.318 0.000 1.077 167 L CA 1.464 55.930 54.840 -0.624 0.000 0.747 167 L CB -0.575 40.620 42.059 -1.441 0.000 0.896 167 L HN 0.277 nan 8.230 nan 0.000 0.432 168 D N -0.417 119.915 120.400 -0.114 0.000 2.264 168 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 168 D C 1.568 177.886 176.300 0.029 0.000 0.966 168 D CA 0.763 54.814 54.000 0.086 0.000 0.864 168 D CB -0.187 40.685 40.800 0.121 0.000 0.933 168 D HN 0.232 nan 8.370 nan 0.000 0.499 169 N N 0.190 118.873 118.700 -0.028 0.000 2.398 169 N HA -0.014 4.726 4.740 -0.000 0.000 0.188 169 N C 0.219 175.696 175.510 -0.055 0.000 1.122 169 N CA -0.031 53.004 53.050 -0.025 0.000 0.866 169 N CB 0.390 38.864 38.487 -0.023 0.000 0.970 169 N HN 0.104 nan 8.380 nan 0.000 0.462 170 V N -0.701 119.168 119.914 -0.074 0.000 2.694 170 V HA 0.526 4.646 4.120 -0.000 0.000 0.306 170 V C 0.350 176.416 176.094 -0.045 0.000 1.054 170 V CA -0.761 61.486 62.300 -0.089 0.000 1.161 170 V CB 0.193 31.972 31.823 -0.073 0.000 0.916 170 V HN 0.181 nan 8.190 nan 0.000 0.490 171 A N 3.669 126.451 122.820 -0.063 0.000 2.610 171 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 171 A C -0.122 177.430 177.584 -0.053 0.000 1.086 171 A CA -0.203 51.809 52.037 -0.041 0.000 0.677 171 A CB 1.212 20.186 19.000 -0.042 0.000 1.278 171 A HN 1.945 nan 8.150 nan 0.000 0.414 172 S N -0.087 115.588 115.700 -0.042 0.000 2.646 172 S HA 0.847 5.317 4.470 -0.000 0.000 0.273 172 S C 0.912 175.424 174.600 -0.147 0.000 1.168 172 S CA 0.474 58.643 58.200 -0.053 0.000 1.013 172 S CB 0.456 63.653 63.200 -0.005 0.000 1.098 172 S HN 2.832 nan 8.310 nan 0.000 0.544 173 G N 0.006 108.651 108.800 -0.259 0.000 2.681 173 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 173 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 173 G C -3.269 171.163 174.900 -0.779 0.000 1.353 173 G CA -0.590 44.063 45.100 -0.745 0.000 0.872 173 G HN 0.797 nan 8.290 nan 0.000 0.557 174 P HA 0.438 nan 4.420 nan 0.000 0.269 174 P C -0.127 177.094 177.300 -0.131 0.000 1.209 174 P CA -0.257 62.617 63.100 -0.376 0.000 0.776 174 P CB 1.062 32.648 31.700 -0.189 0.000 0.876 175 V N 3.488 123.395 119.914 -0.012 0.000 2.459 175 V HA 0.238 4.358 4.120 -0.000 0.000 0.295 175 V C 0.471 176.650 176.094 0.140 0.000 1.029 175 V CA -0.648 61.715 62.300 0.105 0.000 0.874 175 V CB 1.318 33.213 31.823 0.120 0.000 0.985 175 V HN 0.523 nan 8.190 nan 0.000 0.438 176 Q N 3.193 123.121 119.800 0.213 0.000 2.364 176 Q HA 0.248 4.588 4.340 -0.000 0.000 0.267 176 Q C -0.464 175.503 176.000 -0.055 0.000 0.999 176 Q CA 0.310 56.136 55.803 0.038 0.000 0.886 176 Q CB 0.807 29.509 28.738 -0.061 0.000 1.243 176 Q HN 0.780 nan 8.270 nan 0.000 0.415 177 E N 1.116 121.266 120.200 -0.083 0.000 2.378 177 E HA 0.660 5.010 4.350 -0.000 0.000 0.265 177 E C -0.209 176.329 176.600 -0.103 0.000 0.932 177 E CA -0.372 55.981 56.400 -0.078 0.000 0.795 177 E CB 1.863 31.555 29.700 -0.013 0.000 1.296 177 E HN 0.916 nan 8.360 nan 0.000 0.438 178 G N 1.463 110.218 108.800 -0.075 0.000 2.662 178 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.236 178 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.236 178 G C -0.647 174.205 174.900 -0.081 0.000 1.212 178 G CA -0.496 44.574 45.100 -0.051 0.000 0.968 178 G HN 0.475 nan 8.290 nan 0.000 0.576 179 N N 2.131 120.783 118.700 -0.080 0.000 3.050 179 N HA 0.451 5.190 4.740 -0.000 0.000 0.289 179 N C 0.138 175.561 175.510 -0.144 0.000 1.209 179 N CA 0.819 53.819 53.050 -0.084 0.000 1.154 179 N CB -0.722 37.733 38.487 -0.052 0.000 1.444 179 N HN 1.162 nan 8.380 nan 0.000 0.529 180 C N -2.420 116.746 119.300 -0.224 0.000 3.086 180 C HA 0.927 5.387 4.460 -0.000 0.000 0.311 180 C C 1.014 175.808 174.990 -0.328 0.000 1.260 180 C CA -0.355 58.449 59.018 -0.357 0.000 1.426 180 C CB 1.049 28.385 27.740 -0.673 0.000 1.826 180 C HN 0.690 nan 8.230 nan 0.000 0.474 181 G N 1.698 110.400 108.800 -0.164 0.000 2.564 181 G HA2 0.171 4.131 3.960 -0.000 0.000 0.273 181 G HA3 0.171 4.131 3.960 -0.000 0.000 0.273 181 G C 0.988 175.927 174.900 0.066 0.000 1.242 181 G CA 0.612 45.788 45.100 0.126 0.000 0.951 181 G HN 2.377 nan 8.290 nan 0.000 0.564 182 G N 0.046 108.915 108.800 0.115 0.000 2.462 182 G HA2 0.215 4.175 3.960 -0.000 0.000 0.220 182 G HA3 0.215 4.175 3.960 -0.000 0.000 0.220 182 G C 1.736 176.654 174.900 0.030 0.000 1.121 182 G CA 1.787 46.924 45.100 0.062 0.000 0.758 182 G HN 1.848 nan 8.290 nan 0.000 0.559 183 G N -0.204 108.609 108.800 0.022 0.000 2.650 183 G HA2 0.027 3.987 3.960 -0.000 0.000 0.214 183 G HA3 0.027 3.987 3.960 -0.000 0.000 0.214 183 G C 1.661 176.547 174.900 -0.023 0.000 1.136 183 G CA 1.290 46.392 45.100 0.004 0.000 0.789 183 G HN 0.337 nan 8.290 nan 0.000 0.536 184 T N 1.031 115.560 114.554 -0.041 0.000 2.597 184 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 184 T C 2.195 176.872 174.700 -0.038 0.000 1.053 184 T CA 1.612 63.682 62.100 -0.050 0.000 1.165 184 T CB -0.374 68.465 68.868 -0.048 0.000 0.863 184 T HN 0.333 nan 8.240 nan 0.000 0.427 185 G N 1.108 109.882 108.800 -0.044 0.000 3.383 185 G HA2 0.321 4.281 3.960 -0.000 0.000 0.251 185 G HA3 0.321 4.281 3.960 -0.000 0.000 0.251 185 G C 0.259 175.132 174.900 -0.044 0.000 1.203 185 G CA -0.288 44.781 45.100 -0.052 0.000 0.852 185 G HN 0.226 nan 8.290 nan 0.000 0.531 186 M N 0.436 120.026 119.600 -0.016 0.000 2.359 186 M HA 0.517 4.997 4.480 -0.000 0.000 0.322 186 M C -0.354 175.964 176.300 0.030 0.000 1.166 186 M CA -0.847 54.457 55.300 0.008 0.000 1.067 186 M CB 1.463 34.083 32.600 0.033 0.000 1.523 186 M HN -0.154 nan 8.290 nan 0.000 0.467 187 I N 0.316 120.911 120.570 0.041 0.000 2.466 187 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 187 I C -0.242 175.907 176.117 0.053 0.000 1.026 187 I CA -0.387 60.941 61.300 0.046 0.000 1.078 187 I CB 2.272 40.279 38.000 0.011 0.000 1.249 187 I HN 0.569 nan 8.210 nan 0.000 0.429 188 T N 4.447 119.055 114.554 0.091 0.000 2.881 188 T HA 0.430 4.779 4.350 -0.000 0.000 0.290 188 T C -0.459 174.314 174.700 0.121 0.000 1.000 188 T CA -0.107 62.018 62.100 0.042 0.000 0.978 188 T CB 0.379 69.344 68.868 0.162 0.000 0.997 188 T HN 0.493 nan 8.240 nan 0.000 0.443 189 Y N 2.634 122.889 120.300 -0.075 0.000 3.225 189 Y HA -0.250 4.300 4.550 -0.000 0.000 0.211 189 Y C 1.576 177.374 175.900 -0.170 0.000 1.223 189 Y CA 1.499 59.546 58.100 -0.088 0.000 1.284 189 Y CB -1.800 36.677 38.460 0.029 0.000 1.367 189 Y HN 1.304 nan 8.280 nan 0.000 0.566 190 G N -2.719 106.008 108.800 -0.122 0.000 2.212 190 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.266 190 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.266 190 G C 0.075 174.779 174.900 -0.328 0.000 0.978 190 G CA 0.309 45.251 45.100 -0.264 0.000 0.632 190 G HN 0.400 nan 8.290 nan 0.000 0.537 191 F N -0.121 119.854 119.950 0.041 0.000 2.518 191 F HA 0.756 5.283 4.527 -0.000 0.000 0.338 191 F C 0.634 176.457 175.800 0.038 0.000 1.065 191 F CA -1.327 56.698 58.000 0.042 0.000 1.012 191 F CB 0.975 40.013 39.000 0.063 0.000 1.297 191 F HN -0.031 nan 8.300 nan 0.000 0.489 192 K N 0.636 121.198 120.400 0.269 0.000 2.412 192 K HA 0.456 4.776 4.320 -0.000 0.000 0.281 192 K C 0.030 176.718 176.600 0.147 0.000 1.027 192 K CA 0.259 56.634 56.287 0.146 0.000 0.989 192 K CB 0.234 32.793 32.500 0.099 0.000 0.935 192 K HN 0.726 nan 8.250 nan 0.000 0.475 193 G N 1.102 109.969 108.800 0.111 0.000 3.119 193 G HA2 0.759 4.719 3.960 -0.000 0.000 0.206 193 G HA3 0.759 4.719 3.960 -0.000 0.000 0.206 193 G C -0.103 174.841 174.900 0.073 0.000 1.313 193 G CA -0.356 44.814 45.100 0.116 0.000 1.010 193 G HN 0.947 nan 8.290 nan 0.000 0.578 194 G N -2.028 106.818 108.800 0.075 0.000 2.292 194 G HA2 0.353 4.313 3.960 -0.000 0.000 0.194 194 G HA3 0.353 4.313 3.960 -0.000 0.000 0.194 194 G C -0.689 174.238 174.900 0.045 0.000 1.329 194 G CA 0.141 45.264 45.100 0.038 0.000 1.100 194 G HN 0.978 nan 8.290 nan 0.000 0.470 195 T N 0.783 115.343 114.554 0.010 0.000 2.806 195 T HA 0.638 4.987 4.350 -0.000 0.000 0.290 195 T C 0.414 175.138 174.700 0.039 0.000 0.966 195 T CA 0.632 62.753 62.100 0.035 0.000 1.060 195 T CB 1.229 70.094 68.868 -0.006 0.000 0.927 195 T HN 1.520 nan 8.240 nan 0.000 0.485 196 G N 0.707 109.544 108.800 0.062 0.000 2.659 196 G HA2 0.662 4.622 3.960 -0.000 0.000 0.296 196 G HA3 0.662 4.622 3.960 -0.000 0.000 0.296 196 G C -1.183 173.743 174.900 0.043 0.000 1.369 196 G CA -0.555 44.571 45.100 0.043 0.000 0.937 196 G HN 0.755 nan 8.290 nan 0.000 0.485 197 T N -1.427 113.138 114.554 0.019 0.000 2.868 197 T HA 0.856 5.206 4.350 -0.000 0.000 0.306 197 T C -0.971 173.713 174.700 -0.027 0.000 1.224 197 T CA 0.479 62.588 62.100 0.015 0.000 1.012 197 T CB 1.653 70.553 68.868 0.053 0.000 1.221 197 T HN 2.033 nan 8.240 nan 0.000 0.499 198 A N 1.518 124.316 122.820 -0.036 0.000 2.586 198 A HA 0.887 5.206 4.320 -0.000 0.000 0.290 198 A C -0.819 176.741 177.584 -0.040 0.000 1.086 198 A CA -0.187 51.811 52.037 -0.065 0.000 0.665 198 A CB 1.101 20.020 19.000 -0.135 0.000 1.279 198 A HN 1.706 nan 8.150 nan 0.000 0.423 199 S N 0.057 115.735 115.700 -0.038 0.000 2.607 199 S HA 0.955 5.425 4.470 -0.000 0.000 0.273 199 S C -1.246 173.342 174.600 -0.020 0.000 1.148 199 S CA -0.949 57.238 58.200 -0.022 0.000 0.833 199 S CB 1.854 65.053 63.200 -0.001 0.000 1.130 199 S HN 0.885 nan 8.310 nan 0.000 0.470 200 R N 0.125 120.621 120.500 -0.007 0.000 2.698 200 R HA 0.716 5.056 4.340 -0.000 0.000 0.275 200 R C -1.680 174.630 176.300 0.018 0.000 1.001 200 R CA -0.715 55.388 56.100 0.005 0.000 0.896 200 R CB 1.877 32.184 30.300 0.013 0.000 1.218 200 R HN 0.624 nan 8.270 nan 0.000 0.462 201 V N 2.369 122.296 119.914 0.022 0.000 2.555 201 V HA 0.590 4.710 4.120 -0.000 0.000 0.302 201 V C -0.084 176.043 176.094 0.055 0.000 1.038 201 V CA -0.762 61.558 62.300 0.034 0.000 0.887 201 V CB 2.041 33.870 31.823 0.011 0.000 0.991 201 V HN 0.588 nan 8.190 nan 0.000 0.434 202 V N 1.194 121.166 119.914 0.097 0.000 2.914 202 V HA 0.691 4.811 4.120 -0.000 0.000 0.314 202 V C -0.501 175.697 176.094 0.173 0.000 1.084 202 V CA -0.800 61.573 62.300 0.122 0.000 0.963 202 V CB 2.032 33.940 31.823 0.142 0.000 1.025 202 V HN 0.876 nan 8.190 nan 0.000 0.432 203 E N 1.710 122.000 120.200 0.150 0.000 2.216 203 E HA 0.528 4.877 4.350 -0.000 0.000 0.279 203 E C -2.169 174.588 176.600 0.263 0.000 0.997 203 E CA -0.587 55.912 56.400 0.166 0.000 0.817 203 E CB 1.673 31.417 29.700 0.072 0.000 1.096 203 E HN 0.711 nan 8.360 nan 0.000 0.393 204 F N 2.561 122.623 119.950 0.187 0.000 2.730 204 F HA 0.348 4.875 4.527 -0.000 0.000 0.335 204 F C 0.405 176.307 175.800 0.170 0.000 1.212 204 F CA 0.211 58.303 58.000 0.155 0.000 1.016 204 F CB 1.584 40.666 39.000 0.136 0.000 1.290 204 F HN 0.666 nan 8.300 nan 0.000 0.495 205 G N 3.302 112.097 108.800 -0.009 0.000 2.305 205 G HA2 0.085 4.045 3.960 -0.000 0.000 0.287 205 G HA3 0.085 4.045 3.960 -0.000 0.000 0.287 205 G C 1.102 176.069 174.900 0.112 0.000 1.036 205 G CA 0.778 45.913 45.100 0.059 0.000 0.887 205 G HN 2.258 nan 8.290 nan 0.000 0.505 206 G N -2.012 106.837 108.800 0.081 0.000 2.176 206 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.253 206 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.253 206 G C 0.354 175.282 174.900 0.047 0.000 0.979 206 G CA 1.027 46.158 45.100 0.052 0.000 0.641 206 G HN 1.046 nan 8.290 nan 0.000 0.530 207 R N -0.444 120.111 120.500 0.092 0.000 2.854 207 R HA 0.700 5.040 4.340 -0.000 0.000 0.271 207 R C -0.864 175.333 176.300 -0.172 0.000 0.994 207 R CA -0.323 55.735 56.100 -0.071 0.000 0.945 207 R CB 1.902 32.146 30.300 -0.093 0.000 1.194 207 R HN 0.182 nan 8.270 nan 0.000 0.476 208 S N 1.338 116.788 115.700 -0.417 0.000 2.449 208 S HA 0.644 5.114 4.470 -0.000 0.000 0.310 208 S C -1.278 172.983 174.600 -0.565 0.000 1.096 208 S CA -0.520 57.502 58.200 -0.297 0.000 1.095 208 S CB 0.338 63.436 63.200 -0.170 0.000 1.007 208 S HN 0.348 nan 8.310 nan 0.000 0.474 209 F N 1.484 121.444 119.950 0.016 0.000 2.598 209 F HA 0.568 5.095 4.527 -0.000 0.000 0.327 209 F C 0.676 176.465 175.800 -0.019 0.000 1.057 209 F CA -0.643 57.349 58.000 -0.013 0.000 0.957 209 F CB 2.250 41.222 39.000 -0.047 0.000 1.278 209 F HN 0.317 nan 8.300 nan 0.000 0.484 210 T N 2.250 116.899 114.554 0.158 0.000 2.885 210 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 210 T C -0.917 173.805 174.700 0.038 0.000 1.019 210 T CA -0.413 61.728 62.100 0.068 0.000 1.010 210 T CB 1.511 70.399 68.868 0.033 0.000 1.022 210 T HN 0.227 nan 8.240 nan 0.000 0.466 211 I N 2.024 122.600 120.570 0.010 0.000 2.410 211 I HA 0.577 4.747 4.170 -0.000 0.000 0.286 211 I C 0.525 176.619 176.117 -0.037 0.000 1.009 211 I CA -0.193 61.091 61.300 -0.028 0.000 1.111 211 I CB 1.751 39.740 38.000 -0.019 0.000 1.262 211 I HN 0.764 nan 8.210 nan 0.000 0.443 212 G N 4.234 112.994 108.800 -0.067 0.000 2.452 212 G HA2 0.840 4.800 3.960 -0.000 0.000 0.324 212 G HA3 0.840 4.800 3.960 -0.000 0.000 0.324 212 G C -1.399 173.462 174.900 -0.064 0.000 1.214 212 G CA -0.678 44.391 45.100 -0.052 0.000 0.947 212 G HN 0.735 nan 8.290 nan 0.000 0.478 213 A N 1.237 124.032 122.820 -0.042 0.000 2.365 213 A HA 0.834 5.154 4.320 -0.000 0.000 0.318 213 A C -1.134 176.447 177.584 -0.004 0.000 1.091 213 A CA -0.666 51.350 52.037 -0.035 0.000 0.763 213 A CB 1.803 20.775 19.000 -0.047 0.000 1.248 213 A HN 1.132 nan 8.150 nan 0.000 0.442 214 L N 2.657 123.891 121.223 0.019 0.000 2.410 214 L HA 0.801 5.141 4.340 -0.000 0.000 0.270 214 L C -1.588 175.314 176.870 0.053 0.000 0.983 214 L CA -0.608 54.262 54.840 0.050 0.000 0.822 214 L CB 1.932 44.037 42.059 0.076 0.000 1.285 214 L HN 0.532 nan 8.230 nan 0.000 0.409 215 V N 3.848 123.796 119.914 0.056 0.000 2.914 215 V HA 0.442 4.562 4.120 -0.000 0.000 0.314 215 V C -0.799 175.339 176.094 0.074 0.000 1.084 215 V CA -0.482 61.850 62.300 0.053 0.000 0.963 215 V CB 2.193 34.035 31.823 0.032 0.000 1.025 215 V HN 0.834 nan 8.190 nan 0.000 0.432 216 Q N 2.844 122.686 119.800 0.071 0.000 2.413 216 Q HA 0.696 5.036 4.340 -0.000 0.000 0.258 216 Q C -0.665 175.380 176.000 0.076 0.000 1.037 216 Q CA -0.521 55.328 55.803 0.077 0.000 0.764 216 Q CB 1.365 30.148 28.738 0.075 0.000 1.217 216 Q HN 0.901 nan 8.270 nan 0.000 0.490 217 A N 3.977 126.862 122.820 0.109 0.000 2.252 217 A HA 0.394 4.714 4.320 -0.000 0.000 0.309 217 A C -0.133 177.583 177.584 0.221 0.000 1.285 217 A CA -0.485 51.666 52.037 0.191 0.000 0.900 217 A CB 0.235 19.397 19.000 0.270 0.000 1.157 217 A HN 0.853 nan 8.150 nan 0.000 0.536 218 N N 1.080 119.934 118.700 0.256 0.000 2.390 218 N HA 0.076 4.816 4.740 -0.000 0.000 0.259 218 N C -0.356 175.264 175.510 0.184 0.000 1.395 218 N CA -0.275 52.878 53.050 0.172 0.000 0.852 218 N CB 0.287 38.841 38.487 0.112 0.000 1.371 218 N HN 0.858 nan 8.380 nan 0.000 0.491 219 H N -1.412 117.630 119.070 -0.047 0.000 2.754 219 H HA 0.810 5.365 4.556 -0.000 0.000 0.352 219 H C 0.494 175.597 175.328 -0.376 0.000 1.213 219 H CA -0.095 55.887 56.048 -0.111 0.000 1.244 219 H CB 0.834 30.579 29.762 -0.028 0.000 1.843 219 H HN 0.122 nan 8.280 nan 0.000 0.587 220 G N 0.200 108.758 108.800 -0.403 0.000 2.781 220 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.683 220 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.683 220 G C -1.289 173.263 174.900 -0.581 0.000 1.390 220 G CA -0.430 44.285 45.100 -0.642 0.000 0.850 220 G HN 0.855 nan 8.290 nan 0.000 0.557 221 Q N -0.747 118.632 119.800 -0.702 0.000 2.387 221 Q HA 0.598 4.938 4.340 -0.000 0.000 0.273 221 Q C 1.289 177.082 176.000 -0.345 0.000 1.089 221 Q CA -1.072 54.295 55.803 -0.726 0.000 0.824 221 Q CB 1.999 29.912 28.738 -1.374 0.000 1.367 221 Q HN 0.607 nan 8.270 nan 0.000 0.443 222 R N 1.078 121.415 120.500 -0.271 0.000 2.096 222 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 222 R C 0.883 177.143 176.300 -0.066 0.000 1.139 222 R CA 2.276 58.291 56.100 -0.142 0.000 0.952 222 R CB -0.158 29.998 30.300 -0.240 0.000 0.854 222 R HN 0.670 nan 8.270 nan 0.000 0.436 223 D N -0.999 119.305 120.400 -0.160 0.000 2.221 223 D HA -0.189 4.451 4.640 -0.000 0.000 0.204 223 D C 1.322 177.730 176.300 0.180 0.000 0.982 223 D CA 0.939 54.924 54.000 -0.024 0.000 0.857 223 D CB -0.216 40.563 40.800 -0.036 0.000 0.934 223 D HN 0.388 nan 8.370 nan 0.000 0.475 224 W N 0.579 121.941 121.300 0.103 0.000 2.770 224 W HA 0.176 4.836 4.660 -0.000 0.000 0.256 224 W C 0.621 177.169 176.519 0.049 0.000 1.291 224 W CA -0.799 56.616 57.345 0.116 0.000 1.396 224 W CB -1.123 28.465 29.460 0.213 0.000 1.114 224 W HN -0.049 nan 8.180 nan 0.000 0.637 225 L N 2.087 123.424 121.223 0.191 0.000 2.559 225 L HA 0.081 4.421 4.340 -0.000 0.000 0.274 225 L C 0.017 176.825 176.870 -0.103 0.000 1.205 225 L CA 1.367 56.106 54.840 -0.169 0.000 0.907 225 L CB 0.243 42.220 42.059 -0.137 0.000 1.153 225 L HN -0.261 nan 8.230 nan 0.000 0.490 226 T N 7.028 121.477 114.554 -0.175 0.000 2.841 226 T HA 0.592 4.941 4.350 -0.000 0.000 0.285 226 T C -0.345 174.271 174.700 -0.139 0.000 0.991 226 T CA -0.244 61.787 62.100 -0.114 0.000 0.966 226 T CB 0.794 69.621 68.868 -0.070 0.000 0.962 226 T HN 0.428 nan 8.240 nan 0.000 0.438 227 I N 2.298 122.789 120.570 -0.132 0.000 2.447 227 I HA 0.498 4.668 4.170 -0.000 0.000 0.287 227 I C 0.705 176.727 176.117 -0.157 0.000 1.023 227 I CA -0.897 60.326 61.300 -0.128 0.000 1.083 227 I CB 1.645 39.578 38.000 -0.112 0.000 1.245 227 I HN 0.897 nan 8.210 nan 0.000 0.434 228 A N 4.620 127.330 122.820 -0.183 0.000 2.832 228 A HA -0.133 4.187 4.320 -0.000 0.000 0.280 228 A C 1.412 178.905 177.584 -0.152 0.000 1.464 228 A CA 1.122 53.033 52.037 -0.210 0.000 0.804 228 A CB -1.932 16.923 19.000 -0.241 0.000 1.020 228 A HN 1.903 nan 8.150 nan 0.000 0.563 229 G N -3.943 104.781 108.800 -0.127 0.000 2.179 229 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.260 229 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.260 229 G C 0.364 175.175 174.900 -0.148 0.000 0.977 229 G CA 0.543 45.579 45.100 -0.107 0.000 0.641 229 G HN 1.835 nan 8.290 nan 0.000 0.533 230 V N 2.457 122.245 119.914 -0.209 0.000 2.439 230 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 230 V C -1.450 174.489 176.094 -0.257 0.000 1.039 230 V CA -1.275 60.806 62.300 -0.365 0.000 0.913 230 V CB 1.788 33.338 31.823 -0.455 0.000 0.983 230 V HN 0.164 nan 8.190 nan 0.000 0.460 231 P HA 0.124 nan 4.420 nan 0.000 0.230 231 P C 0.944 178.270 177.300 0.044 0.000 1.791 231 P CA 0.080 63.142 63.100 -0.064 0.000 1.020 231 P CB 0.682 32.367 31.700 -0.025 0.000 1.977 232 V N 2.368 122.289 119.914 0.010 0.000 2.392 232 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 232 V C 2.769 178.957 176.094 0.156 0.000 1.059 232 V CA 2.715 65.071 62.300 0.093 0.000 1.051 232 V CB -1.490 30.343 31.823 0.018 0.000 0.658 232 V HN 0.406 nan 8.190 nan 0.000 0.455 233 G N -1.023 107.838 108.800 0.102 0.000 2.448 233 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 233 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 233 G C 1.433 176.367 174.900 0.056 0.000 1.127 233 G CA 0.393 45.551 45.100 0.097 0.000 0.766 233 G HN 0.485 nan 8.290 nan 0.000 0.552 234 Q N 0.014 119.828 119.800 0.023 0.000 2.297 234 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 234 Q C 1.813 177.699 176.000 -0.191 0.000 0.962 234 Q CA 0.785 56.533 55.803 -0.092 0.000 0.879 234 Q CB -0.130 28.517 28.738 -0.153 0.000 0.947 234 Q HN 0.661 nan 8.270 nan 0.000 0.462 235 H N -1.534 117.577 119.070 0.067 0.000 2.639 235 H HA 0.278 4.833 4.556 -0.000 0.000 0.267 235 H C 0.305 175.682 175.328 0.081 0.000 0.958 235 H CA 0.207 56.302 56.048 0.080 0.000 1.221 235 H CB 0.739 30.561 29.762 0.101 0.000 1.446 235 H HN 0.129 nan 8.280 nan 0.000 0.512 236 M N 1.183 120.905 119.600 0.203 0.000 2.182 236 M HA 0.265 4.744 4.480 -0.000 0.000 0.285 236 M C 0.579 176.948 176.300 0.115 0.000 0.956 236 M CA -0.061 55.359 55.300 0.200 0.000 0.878 236 M CB 1.452 34.238 32.600 0.309 0.000 1.373 236 M HN -0.073 nan 8.290 nan 0.000 0.393 237 R N 0.577 121.108 120.500 0.052 0.000 2.334 237 R HA 0.076 4.416 4.340 -0.000 0.000 0.216 237 R C 0.072 176.346 176.300 -0.042 0.000 0.905 237 R CA 0.274 56.365 56.100 -0.016 0.000 1.064 237 R CB 0.310 30.602 30.300 -0.014 0.000 1.046 237 R HN 0.653 nan 8.270 nan 0.000 0.508 238 D N -0.324 120.070 120.400 -0.010 0.000 2.348 238 D HA 0.138 4.778 4.640 -0.000 0.000 0.249 238 D C 0.846 177.113 176.300 -0.055 0.000 1.110 238 D CA 0.091 54.079 54.000 -0.019 0.000 0.967 238 D CB 1.089 41.901 40.800 0.020 0.000 1.139 238 D HN 0.076 nan 8.370 nan 0.000 0.466 239 G N 0.862 109.632 108.800 -0.051 0.000 2.168 239 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 239 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 239 G C 0.494 175.324 174.900 -0.116 0.000 0.997 239 G CA 0.755 45.820 45.100 -0.058 0.000 0.708 239 G HN 1.050 nan 8.290 nan 0.000 0.520 240 T N -1.877 112.588 114.554 -0.149 0.000 2.926 240 T HA 0.482 4.832 4.350 -0.000 0.000 0.307 240 T C -0.552 174.075 174.700 -0.123 0.000 1.059 240 T CA -0.572 61.419 62.100 -0.181 0.000 1.122 240 T CB 1.761 70.517 68.868 -0.186 0.000 0.972 240 T HN -0.018 nan 8.240 nan 0.000 0.545 241 P HA -0.142 nan 4.420 nan 0.000 0.216 241 P C 1.773 179.029 177.300 -0.073 0.000 1.153 241 P CA 1.077 64.128 63.100 -0.082 0.000 0.858 241 P CB 0.050 31.702 31.700 -0.079 0.000 0.789 242 Q N 0.089 119.835 119.800 -0.089 0.000 2.061 242 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 242 Q C 2.213 178.176 176.000 -0.062 0.000 0.984 242 Q CA 2.648 58.405 55.803 -0.076 0.000 0.846 242 Q CB -0.551 28.130 28.738 -0.095 0.000 0.902 242 Q HN 0.266 nan 8.270 nan 0.000 0.421 243 S N -0.544 115.116 115.700 -0.067 0.000 2.419 243 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 243 S C 1.660 176.236 174.600 -0.041 0.000 1.016 243 S CA 1.385 59.554 58.200 -0.052 0.000 0.974 243 S CB -0.229 62.938 63.200 -0.055 0.000 0.786 243 S HN 0.498 nan 8.310 nan 0.000 0.492 244 Q N 0.329 120.104 119.800 -0.042 0.000 2.269 244 Q HA 0.322 4.662 4.340 -0.000 0.000 0.201 244 Q C 0.519 176.503 176.000 -0.027 0.000 0.946 244 Q CA 0.382 56.166 55.803 -0.032 0.000 0.877 244 Q CB -0.115 28.604 28.738 -0.031 0.000 0.963 244 Q HN 0.540 nan 8.270 nan 0.000 0.472 251 I N 2.694 123.272 120.570 0.012 0.000 2.571 251 I HA 0.533 4.703 4.170 -0.000 0.000 0.289 251 I C -1.737 174.421 176.117 0.068 0.000 1.115 251 I CA -0.835 60.435 61.300 -0.049 0.000 1.045 251 I CB 0.715 38.490 38.000 -0.375 0.000 1.238 251 I HN 0.546 nan 8.210 nan 0.000 0.424 252 I N 8.099 128.713 120.570 0.074 0.000 2.353 252 I HA 0.393 4.562 4.170 -0.000 0.000 0.293 252 I C -0.281 175.918 176.117 0.136 0.000 0.992 252 I CA -0.630 60.739 61.300 0.115 0.000 1.268 252 I CB 1.495 39.541 38.000 0.077 0.000 1.387 252 I HN 0.231 nan 8.210 nan 0.000 0.478 253 V N 7.262 127.312 119.914 0.226 0.000 2.487 253 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 253 V C -0.110 176.067 176.094 0.138 0.000 1.028 253 V CA -0.698 61.677 62.300 0.125 0.000 0.860 253 V CB 2.491 34.310 31.823 -0.008 0.000 0.991 253 V HN 0.419 nan 8.190 nan 0.000 0.427 254 V N 6.627 126.598 119.914 0.095 0.000 2.378 254 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 254 V C -0.315 175.804 176.094 0.042 0.000 1.016 254 V CA -0.432 61.940 62.300 0.121 0.000 0.840 254 V CB 1.654 33.574 31.823 0.162 0.000 0.994 254 V HN 0.636 nan 8.190 nan 0.000 0.431 255 L N 4.543 125.768 121.223 0.004 0.000 2.307 255 L HA 0.873 5.213 4.340 -0.000 0.000 0.284 255 L C 0.236 176.912 176.870 -0.323 0.000 1.023 255 L CA -0.318 54.459 54.840 -0.104 0.000 0.810 255 L CB 1.775 43.796 42.059 -0.063 0.000 1.231 255 L HN 0.737 nan 8.230 nan 0.000 0.423 256 A N 2.227 124.788 122.820 -0.431 0.000 2.374 256 A HA 0.854 5.174 4.320 -0.000 0.000 0.317 256 A C -0.560 176.796 177.584 -0.379 0.000 1.094 256 A CA -0.461 51.102 52.037 -0.791 0.000 0.765 256 A CB 2.063 20.615 19.000 -0.747 0.000 1.268 256 A HN 0.558 nan 8.150 nan 0.000 0.438 257 T N -0.544 113.818 114.554 -0.320 0.000 2.868 257 T HA 0.484 4.834 4.350 -0.000 0.000 0.306 257 T C -0.908 173.757 174.700 -0.058 0.000 1.224 257 T CA 0.076 62.095 62.100 -0.135 0.000 1.012 257 T CB 1.408 70.206 68.868 -0.116 0.000 1.221 257 T HN 0.688 nan 8.240 nan 0.000 0.499 258 D N 1.848 122.272 120.400 0.040 0.000 2.369 258 D HA 0.169 4.809 4.640 -0.000 0.000 0.211 258 D C 0.666 177.037 176.300 0.118 0.000 1.077 258 D CA -0.333 53.740 54.000 0.121 0.000 0.842 258 D CB -0.204 40.705 40.800 0.182 0.000 0.947 258 D HN 0.268 nan 8.370 nan 0.000 0.509 259 L N 2.358 123.511 121.223 -0.117 0.000 2.453 259 L HA 0.235 4.575 4.340 -0.000 0.000 0.272 259 L C -2.304 174.341 176.870 -0.376 0.000 1.182 259 L CA -1.549 52.927 54.840 -0.607 0.000 0.858 259 L CB 0.303 41.946 42.059 -0.694 0.000 1.120 259 L HN -0.173 nan 8.230 nan 0.000 0.474 260 P HA 0.154 nan 4.420 nan 0.000 0.271 260 P C -1.167 175.996 177.300 -0.228 0.000 1.380 260 P CA -0.219 62.764 63.100 -0.196 0.000 0.992 260 P CB 0.481 32.099 31.700 -0.137 0.000 1.230 261 L N 4.223 125.349 121.223 -0.161 0.000 2.354 261 L HA 0.536 4.876 4.340 -0.000 0.000 0.269 261 L C 0.506 177.280 176.870 -0.159 0.000 1.005 261 L CA -0.912 53.821 54.840 -0.180 0.000 0.819 261 L CB 1.651 43.619 42.059 -0.152 0.000 1.311 261 L HN 0.263 nan 8.230 nan 0.000 0.423 262 M N 2.552 122.006 119.600 -0.243 0.000 2.494 262 M HA 0.364 4.844 4.480 -0.000 0.000 0.300 262 M C -1.381 174.803 176.300 -0.193 0.000 1.189 262 M CA -1.987 53.149 55.300 -0.273 0.000 0.982 262 M CB 0.683 33.165 32.600 -0.197 0.000 1.534 262 M HN 0.218 nan 8.290 nan 0.000 0.488 263 P HA -0.203 nan 4.420 nan 0.000 0.215 263 P C 1.389 178.707 177.300 0.030 0.000 1.157 263 P CA 1.713 64.840 63.100 0.046 0.000 0.874 263 P CB -0.330 31.423 31.700 0.088 0.000 0.790 264 H N -0.521 118.550 119.070 0.001 0.000 2.456 264 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 264 H C 1.529 176.874 175.328 0.029 0.000 1.079 264 H CA 1.289 57.346 56.048 0.015 0.000 1.322 264 H CB -0.917 28.847 29.762 0.003 0.000 1.388 264 H HN 0.254 nan 8.280 nan 0.000 0.538 265 Q N 0.409 119.899 119.800 -0.517 0.000 2.137 265 Q HA 0.077 4.417 4.340 -0.000 0.000 0.198 265 Q C 2.675 178.630 176.000 -0.076 0.000 0.960 265 Q CA 0.797 56.434 55.803 -0.276 0.000 0.847 265 Q CB 0.267 28.792 28.738 -0.356 0.000 0.915 265 Q HN 0.395 nan 8.270 nan 0.000 0.448 266 L N 0.504 121.695 121.223 -0.055 0.000 2.217 266 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 266 L C 2.169 179.080 176.870 0.069 0.000 1.107 266 L CA 0.963 55.823 54.840 0.033 0.000 0.783 266 L CB -0.143 41.966 42.059 0.084 0.000 0.919 266 L HN 0.088 nan 8.230 nan 0.000 0.442 267 K N -0.115 120.326 120.400 0.068 0.000 2.097 267 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 267 K C 2.243 178.871 176.600 0.047 0.000 1.049 267 K CA 1.128 57.467 56.287 0.086 0.000 0.933 267 K CB -0.027 32.527 32.500 0.091 0.000 0.717 267 K HN 0.302 nan 8.250 nan 0.000 0.442 268 R N 0.420 120.935 120.500 0.026 0.000 2.075 268 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 268 R C 2.321 178.582 176.300 -0.066 0.000 1.126 268 R CA 0.875 56.957 56.100 -0.030 0.000 0.963 268 R CB -0.426 29.890 30.300 0.026 0.000 0.858 268 R HN 0.082 nan 8.270 nan 0.000 0.435 269 L N 1.063 122.316 121.223 0.050 0.000 2.046 269 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 269 L C 2.284 179.166 176.870 0.020 0.000 1.077 269 L CA 1.889 56.772 54.840 0.072 0.000 0.747 269 L CB -0.642 41.478 42.059 0.102 0.000 0.896 269 L HN 0.144 nan 8.230 nan 0.000 0.432 270 A N -0.750 122.110 122.820 0.066 0.000 1.972 270 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 270 A C 2.515 180.193 177.584 0.156 0.000 1.169 270 A CA 1.716 53.837 52.037 0.140 0.000 0.635 270 A CB -0.641 18.494 19.000 0.225 0.000 0.810 270 A HN 0.481 nan 8.150 nan 0.000 0.446 271 R N -0.804 119.698 120.500 0.003 0.000 2.152 271 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 271 R C 1.893 178.108 176.300 -0.141 0.000 1.117 271 R CA 0.761 56.739 56.100 -0.205 0.000 0.981 271 R CB -0.084 29.966 30.300 -0.417 0.000 0.870 271 R HN 0.299 nan 8.270 nan 0.000 0.451 272 R N -0.179 120.219 120.500 -0.170 0.000 2.189 272 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 272 R C 1.825 178.004 176.300 -0.202 0.000 1.092 272 R CA 1.046 57.029 56.100 -0.196 0.000 0.989 272 R CB -0.583 29.595 30.300 -0.204 0.000 0.876 272 R HN 0.222 nan 8.270 nan 0.000 0.457 273 A N 0.587 123.240 122.820 -0.278 0.000 2.172 273 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 273 A C 2.167 179.337 177.584 -0.689 0.000 1.154 273 A CA 1.153 52.831 52.037 -0.598 0.000 0.701 273 A CB -0.274 18.095 19.000 -1.052 0.000 0.789 273 A HN 0.213 nan 8.150 nan 0.000 0.465 274 S N 0.116 115.627 115.700 -0.316 0.000 2.356 274 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 274 S C 1.757 176.195 174.600 -0.270 0.000 1.032 274 S CA 1.558 59.595 58.200 -0.271 0.000 1.005 274 S CB -0.429 62.732 63.200 -0.065 0.000 0.867 274 S HN 0.619 nan 8.310 nan 0.000 0.449 275 I N 1.459 121.923 120.570 -0.177 0.000 2.315 275 I HA -0.108 4.062 4.170 -0.000 0.000 0.248 275 I C 2.712 178.759 176.117 -0.116 0.000 1.117 275 I CA 0.993 62.221 61.300 -0.119 0.000 1.404 275 I CB -0.948 37.001 38.000 -0.085 0.000 1.071 275 I HN 0.367 nan 8.210 nan 0.000 0.419 276 G N 2.288 110.991 108.800 -0.161 0.000 2.476 276 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 276 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 276 G C 1.648 176.488 174.900 -0.100 0.000 1.164 276 G CA 1.276 46.295 45.100 -0.135 0.000 0.768 276 G HN 0.602 nan 8.290 nan 0.000 0.560 277 I N -1.340 119.131 120.570 -0.165 0.000 2.546 277 I HA 0.214 4.383 4.170 -0.000 0.000 0.255 277 I C 2.547 178.708 176.117 0.073 0.000 1.163 277 I CA 1.120 62.411 61.300 -0.016 0.000 1.457 277 I CB -0.530 37.436 38.000 -0.057 0.000 1.092 277 I HN 0.046 nan 8.210 nan 0.000 0.434 278 G N 1.410 110.198 108.800 -0.020 0.000 2.448 278 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 278 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 278 G C 1.706 176.626 174.900 0.033 0.000 1.127 278 G CA 0.145 45.247 45.100 0.004 0.000 0.766 278 G HN 0.229 nan 8.290 nan 0.000 0.552 279 R N 0.649 121.164 120.500 0.026 0.000 2.139 279 R HA -0.043 4.297 4.340 -0.000 0.000 0.243 279 R C 1.296 177.613 176.300 0.028 0.000 1.145 279 R CA 0.921 57.036 56.100 0.025 0.000 0.976 279 R CB -0.423 29.896 30.300 0.033 0.000 0.866 279 R HN 0.330 nan 8.270 nan 0.000 0.449 280 N N -0.745 117.997 118.700 0.070 0.000 2.268 280 N HA 0.059 4.799 4.740 -0.000 0.000 0.204 280 N C 0.887 176.375 175.510 -0.038 0.000 1.124 280 N CA 0.844 53.880 53.050 -0.022 0.000 0.838 280 N CB 1.347 39.807 38.487 -0.045 0.000 0.994 280 N HN 0.431 nan 8.380 nan 0.000 0.489 281 G N -0.025 108.837 108.800 0.103 0.000 2.316 281 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 281 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 281 G C 0.392 175.398 174.900 0.177 0.000 0.999 281 G CA 0.081 45.265 45.100 0.141 0.000 0.649 281 G HN 0.375 nan 8.290 nan 0.000 0.489 282 T N 2.794 117.544 114.554 0.327 0.000 2.940 282 T HA 0.480 4.829 4.350 -0.000 0.000 0.309 282 T C -0.486 174.117 174.700 -0.160 0.000 1.056 282 T CA -0.013 62.151 62.100 0.108 0.000 1.137 282 T CB 1.320 70.373 68.868 0.307 0.000 0.976 282 T HN 0.130 nan 8.240 nan 0.000 0.547 283 P HA 0.279 nan 4.420 nan 0.000 0.261 283 P C 0.257 177.532 177.300 -0.041 0.000 1.268 283 P CA 0.137 63.075 63.100 -0.271 0.000 0.833 283 P CB -0.151 31.284 31.700 -0.442 0.000 1.231 284 G N 0.123 108.942 108.800 0.031 0.000 2.830 284 G HA2 0.071 4.031 3.960 -0.000 0.000 0.298 284 G HA3 0.071 4.031 3.960 -0.000 0.000 0.298 284 G C 0.214 175.218 174.900 0.174 0.000 1.031 284 G CA -0.693 44.575 45.100 0.281 0.000 1.179 284 G HN 0.491 nan 8.290 nan 0.000 0.527 285 G N 0.723 109.656 108.800 0.221 0.000 2.544 285 G HA2 0.410 4.369 3.960 -0.000 0.000 0.242 285 G HA3 0.410 4.369 3.960 -0.000 0.000 0.242 285 G C 0.994 175.979 174.900 0.142 0.000 1.247 285 G CA 0.445 45.687 45.100 0.237 0.000 0.840 285 G HN 0.951 nan 8.290 nan 0.000 0.578 286 N N 0.906 119.667 118.700 0.101 0.000 2.166 286 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 286 N C 1.646 177.174 175.510 0.031 0.000 1.019 286 N CA 1.527 54.602 53.050 0.043 0.000 0.856 286 N CB 0.019 38.524 38.487 0.029 0.000 0.993 286 N HN 0.403 nan 8.380 nan 0.000 0.426 287 N N -0.546 118.180 118.700 0.043 0.000 2.461 287 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 287 N C -0.679 174.845 175.510 0.024 0.000 1.134 287 N CA 0.171 53.227 53.050 0.009 0.000 0.878 287 N CB 0.033 38.514 38.487 -0.009 0.000 0.972 287 N HN 0.076 nan 8.380 nan 0.000 0.456 288 S N -0.170 115.572 115.700 0.069 0.000 2.430 288 S HA 0.463 4.933 4.470 -0.000 0.000 0.289 288 S C 0.421 175.057 174.600 0.061 0.000 1.143 288 S CA -0.853 57.403 58.200 0.094 0.000 1.067 288 S CB 0.332 63.635 63.200 0.171 0.000 0.964 288 S HN 0.286 nan 8.310 nan 0.000 0.485 289 G N 3.695 112.516 108.800 0.035 0.000 2.519 289 G HA2 0.320 4.280 3.960 -0.000 0.000 0.306 289 G HA3 0.320 4.280 3.960 -0.000 0.000 0.306 289 G C -0.889 174.008 174.900 -0.005 0.000 0.965 289 G CA -0.479 44.620 45.100 -0.002 0.000 1.291 289 G HN 0.668 nan 8.290 nan 0.000 0.450 290 D N 2.480 122.860 120.400 -0.032 0.000 2.472 290 D HA 0.378 5.017 4.640 -0.000 0.000 0.234 290 D C -0.023 175.988 176.300 -0.480 0.000 1.088 290 D CA 0.063 54.020 54.000 -0.071 0.000 0.882 290 D CB 1.434 42.327 40.800 0.155 0.000 1.037 290 D HN 0.273 nan 8.370 nan 0.000 0.520 291 I N 2.308 122.622 120.570 -0.427 0.000 2.499 291 I HA 0.394 4.564 4.170 -0.000 0.000 0.288 291 I C -0.957 175.043 176.117 -0.195 0.000 1.048 291 I CA -0.917 60.101 61.300 -0.470 0.000 1.062 291 I CB 1.299 39.177 38.000 -0.203 0.000 1.238 291 I HN -0.029 nan 8.210 nan 0.000 0.426 292 F N 6.545 126.522 119.950 0.045 0.000 2.508 292 F HA 0.660 5.187 4.527 -0.000 0.000 0.325 292 F C -0.180 175.665 175.800 0.075 0.000 1.090 292 F CA -1.337 56.700 58.000 0.061 0.000 0.945 292 F CB 1.647 40.702 39.000 0.091 0.000 1.156 292 F HN 0.227 nan 8.300 nan 0.000 0.463 293 I N 1.873 122.598 120.570 0.259 0.000 2.582 293 I HA 0.853 5.023 4.170 -0.000 0.000 0.292 293 I C -1.435 174.820 176.117 0.230 0.000 1.066 293 I CA -0.638 60.785 61.300 0.206 0.000 1.053 293 I CB 1.640 39.717 38.000 0.128 0.000 1.241 293 I HN 0.735 nan 8.210 nan 0.000 0.421 294 A N 6.902 129.865 122.820 0.238 0.000 2.371 294 A HA 0.836 5.156 4.320 -0.000 0.000 0.311 294 A C -1.291 176.474 177.584 0.301 0.000 1.068 294 A CA -0.426 51.714 52.037 0.171 0.000 0.744 294 A CB 1.037 20.099 19.000 0.103 0.000 1.239 294 A HN 0.700 nan 8.150 nan 0.000 0.435 295 F N 0.379 120.429 119.950 0.166 0.000 2.613 295 F HA 0.862 5.389 4.527 -0.000 0.000 0.314 295 F C -0.229 175.623 175.800 0.088 0.000 1.075 295 F CA -0.908 57.196 58.000 0.174 0.000 0.945 295 F CB 1.552 40.712 39.000 0.266 0.000 1.310 295 F HN 0.507 nan 8.300 nan 0.000 0.467 296 S N 0.030 115.897 115.700 0.279 0.000 2.532 296 S HA 0.497 4.967 4.470 -0.000 0.000 0.301 296 S C -0.075 174.657 174.600 0.219 0.000 1.083 296 S CA -0.315 57.969 58.200 0.139 0.000 1.025 296 S CB 1.754 65.018 63.200 0.107 0.000 1.056 296 S HN 0.837 nan 8.310 nan 0.000 0.494 297 T N 2.809 117.446 114.554 0.139 0.000 3.069 297 T HA 0.439 4.788 4.350 -0.000 0.000 0.252 297 T C 0.696 175.521 174.700 0.209 0.000 1.053 297 T CA 0.350 62.520 62.100 0.117 0.000 0.964 297 T CB -0.316 68.553 68.868 0.002 0.000 1.005 297 T HN 0.769 nan 8.240 nan 0.000 0.532 298 A N 1.253 124.172 122.820 0.165 0.000 2.292 298 A HA 0.466 4.786 4.320 -0.000 0.000 0.265 298 A C 0.614 178.297 177.584 0.166 0.000 1.133 298 A CA -0.327 51.803 52.037 0.155 0.000 0.807 298 A CB -0.271 18.790 19.000 0.102 0.000 1.102 298 A HN 0.591 nan 8.150 nan 0.000 0.502 299 N N -0.733 118.046 118.700 0.132 0.000 2.727 299 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 299 N C -0.680 174.873 175.510 0.072 0.000 1.040 299 N CA 0.754 53.884 53.050 0.133 0.000 0.712 299 N CB -1.132 37.504 38.487 0.249 0.000 0.912 299 N HN 0.732 nan 8.380 nan 0.000 0.545 300 Q N 0.630 120.433 119.800 0.007 0.000 2.361 300 Q HA 0.208 4.548 4.340 -0.000 0.000 0.276 300 Q C 0.615 176.548 176.000 -0.111 0.000 1.022 300 Q CA 0.456 56.190 55.803 -0.115 0.000 0.898 300 Q CB 0.639 29.263 28.738 -0.190 0.000 1.246 300 Q HN 0.488 nan 8.270 nan 0.000 0.410 301 R N 0.852 121.248 120.500 -0.174 0.000 2.734 301 R HA 0.635 4.975 4.340 -0.000 0.000 0.271 301 R C -3.054 173.126 176.300 -0.199 0.000 1.021 301 R CA -1.968 54.040 56.100 -0.152 0.000 0.893 301 R CB 0.352 30.572 30.300 -0.134 0.000 1.244 301 R HN 0.270 nan 8.270 nan 0.000 0.464 302 P HA 0.197 nan 4.420 nan 0.000 0.274 302 P C -0.426 176.745 177.300 -0.216 0.000 1.256 302 P CA -0.606 62.377 63.100 -0.196 0.000 0.795 302 P CB 0.517 32.108 31.700 -0.181 0.000 1.038 303 M N 0.404 119.885 119.600 -0.198 0.000 2.207 303 M HA 0.008 4.488 4.480 -0.000 0.000 0.311 303 M C 1.966 178.222 176.300 -0.073 0.000 1.127 303 M CA 0.403 55.626 55.300 -0.128 0.000 1.181 303 M CB 0.012 32.617 32.600 0.008 0.000 1.409 303 M HN 0.455 nan 8.290 nan 0.000 0.461 304 Q N 1.056 120.864 119.800 0.013 0.000 2.077 304 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 304 Q C 1.651 177.684 176.000 0.055 0.000 0.989 304 Q CA 2.581 58.418 55.803 0.057 0.000 0.853 304 Q CB -0.221 28.609 28.738 0.153 0.000 0.907 304 Q HN 0.893 nan 8.270 nan 0.000 0.418 305 H N -2.199 116.818 119.070 -0.089 0.000 2.546 305 H HA 0.101 4.657 4.556 -0.000 0.000 0.277 305 H C 1.117 176.391 175.328 -0.090 0.000 1.004 305 H CA 0.573 56.568 56.048 -0.088 0.000 1.231 305 H CB 0.167 29.861 29.762 -0.115 0.000 1.382 305 H HN 0.110 nan 8.280 nan 0.000 0.580 306 R N 0.451 120.665 120.500 -0.476 0.000 2.508 306 R HA 0.276 4.616 4.340 -0.000 0.000 0.300 306 R C -0.348 175.821 176.300 -0.217 0.000 0.970 306 R CA -0.146 55.709 56.100 -0.408 0.000 1.102 306 R CB 1.151 31.140 30.300 -0.519 0.000 1.246 306 R HN 0.100 nan 8.270 nan 0.000 0.539 307 S N 0.857 116.466 115.700 -0.152 0.000 2.646 307 S HA 0.533 5.003 4.470 -0.000 0.000 0.276 307 S C 0.225 174.779 174.600 -0.078 0.000 1.222 307 S CA -0.691 57.447 58.200 -0.104 0.000 1.014 307 S CB 1.668 64.821 63.200 -0.079 0.000 0.991 307 S HN 0.338 nan 8.310 nan 0.000 0.533 308 A N 2.387 125.175 122.820 -0.055 0.000 2.346 308 A HA 0.444 4.764 4.320 -0.000 0.000 0.252 308 A C -1.324 176.216 177.584 -0.074 0.000 1.089 308 A CA -1.061 50.955 52.037 -0.035 0.000 0.797 308 A CB -0.665 18.342 19.000 0.012 0.000 1.047 308 A HN 0.607 nan 8.150 nan 0.000 0.494 309 P HA 0.020 nan 4.420 nan 0.000 0.221 309 P C -0.322 176.596 177.300 -0.637 0.000 1.150 309 P CA 1.150 64.027 63.100 -0.373 0.000 0.800 309 P CB 0.015 31.443 31.700 -0.454 0.000 0.787 310 F N -0.853 119.107 119.950 0.017 0.000 2.495 310 F HA 0.452 4.978 4.527 -0.000 0.000 0.327 310 F C 0.245 176.054 175.800 0.015 0.000 1.103 310 F CA -1.008 57.003 58.000 0.019 0.000 0.949 310 F CB 1.289 40.298 39.000 0.014 0.000 1.142 310 F HN -0.382 nan 8.300 nan 0.000 0.457 311 L N 2.782 124.115 121.223 0.182 0.000 2.362 311 L HA 0.502 4.841 4.340 -0.000 0.000 0.271 311 L C -0.904 176.031 176.870 0.108 0.000 1.002 311 L CA -0.752 54.157 54.840 0.114 0.000 0.818 311 L CB 1.742 43.852 42.059 0.086 0.000 1.298 311 L HN 0.453 nan 8.230 nan 0.000 0.420 312 D N 2.041 122.487 120.400 0.077 0.000 2.233 312 D HA 0.481 5.121 4.640 -0.000 0.000 0.240 312 D C -0.784 175.547 176.300 0.052 0.000 1.074 312 D CA -0.078 53.958 54.000 0.059 0.000 0.838 312 D CB 2.602 43.427 40.800 0.043 0.000 1.124 312 D HN 0.043 nan 8.370 nan 0.000 0.475 313 V N 1.884 121.823 119.914 0.042 0.000 2.823 313 V HA 0.243 4.362 4.120 -0.000 0.000 0.312 313 V C -0.005 176.100 176.094 0.018 0.000 1.072 313 V CA -0.826 61.494 62.300 0.034 0.000 0.937 313 V CB 2.649 34.477 31.823 0.009 0.000 1.013 313 V HN 0.444 nan 8.190 nan 0.000 0.430 314 E N 3.518 123.729 120.200 0.017 0.000 2.231 314 E HA 0.669 5.019 4.350 -0.000 0.000 0.277 314 E C -0.944 175.638 176.600 -0.030 0.000 0.999 314 E CA -0.536 55.868 56.400 0.006 0.000 0.827 314 E CB 1.546 31.261 29.700 0.023 0.000 1.101 314 E HN 0.658 nan 8.360 nan 0.000 0.393 315 M N 4.064 123.642 119.600 -0.036 0.000 2.484 315 M HA 0.335 4.815 4.480 -0.000 0.000 0.289 315 M C -1.669 174.589 176.300 -0.070 0.000 1.206 315 M CA -0.861 54.394 55.300 -0.074 0.000 0.892 315 M CB 1.993 34.564 32.600 -0.048 0.000 1.712 315 M HN 0.385 nan 8.290 nan 0.000 0.462 316 V N 3.552 123.382 119.914 -0.140 0.000 2.732 316 V HA 0.196 4.316 4.120 -0.000 0.000 0.297 316 V C 0.286 176.392 176.094 0.020 0.000 1.060 316 V CA -0.269 61.971 62.300 -0.100 0.000 1.038 316 V CB 1.515 33.089 31.823 -0.415 0.000 1.003 316 V HN 0.953 nan 8.190 nan 0.000 0.481 317 N N 2.803 121.583 118.700 0.133 0.000 2.482 317 N HA 0.023 4.763 4.740 -0.000 0.000 0.260 317 N C 0.187 175.773 175.510 0.126 0.000 1.236 317 N CA -0.562 52.553 53.050 0.107 0.000 0.938 317 N CB 0.710 39.251 38.487 0.091 0.000 1.128 317 N HN 0.650 nan 8.380 nan 0.000 0.448 318 D N 1.509 121.954 120.400 0.075 0.000 2.289 318 D HA -0.116 4.524 4.640 -0.000 0.000 0.207 318 D C 1.203 177.527 176.300 0.039 0.000 0.966 318 D CA 0.634 54.668 54.000 0.056 0.000 0.868 318 D CB 0.149 40.985 40.800 0.061 0.000 0.943 318 D HN 0.698 nan 8.370 nan 0.000 0.514 319 E N 1.203 121.419 120.200 0.027 0.000 2.070 319 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 319 E C -0.883 175.689 176.600 -0.046 0.000 1.004 319 E CA 1.307 57.702 56.400 -0.009 0.000 0.805 319 E CB -0.360 29.326 29.700 -0.024 0.000 0.744 319 E HN 0.174 nan 8.360 nan 0.000 0.451 320 P HA 0.047 nan 4.420 nan 0.000 0.253 320 P C 0.445 177.714 177.300 -0.052 0.000 1.260 320 P CA 0.415 63.403 63.100 -0.187 0.000 0.800 320 P CB 0.135 31.460 31.700 -0.624 0.000 1.162 321 L N -0.626 120.572 121.223 -0.042 0.000 2.551 321 L HA -0.092 4.248 4.340 -0.000 0.000 0.228 321 L C 1.437 178.057 176.870 -0.416 0.000 1.153 321 L CA 0.768 55.463 54.840 -0.242 0.000 0.851 321 L CB -0.550 41.184 42.059 -0.541 0.000 0.959 321 L HN -0.039 nan 8.230 nan 0.000 0.451 322 D N -0.345 119.950 120.400 -0.176 0.000 2.149 322 D HA -0.187 4.453 4.640 -0.000 0.000 0.198 322 D C 2.275 178.572 176.300 -0.005 0.000 0.990 322 D CA 1.958 55.939 54.000 -0.032 0.000 0.839 322 D CB -0.216 40.608 40.800 0.040 0.000 0.948 322 D HN 0.380 nan 8.370 nan 0.000 0.460 323 T N -1.686 112.857 114.554 -0.018 0.000 2.867 323 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 323 T C 2.150 176.868 174.700 0.029 0.000 1.057 323 T CA 0.755 62.868 62.100 0.021 0.000 1.136 323 T CB -0.616 68.269 68.868 0.028 0.000 0.874 323 T HN -0.009 nan 8.240 nan 0.000 0.466 324 V N 0.434 120.340 119.914 -0.014 0.000 2.358 324 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 324 V C 2.517 178.639 176.094 0.047 0.000 1.047 324 V CA 1.403 63.687 62.300 -0.027 0.000 1.035 324 V CB -0.940 30.799 31.823 -0.139 0.000 0.658 324 V HN 0.396 nan 8.190 nan 0.000 0.452 325 Y N -0.517 119.790 120.300 0.011 0.000 2.181 325 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 325 Y C 2.212 178.107 175.900 -0.008 0.000 1.146 325 Y CA 0.922 59.017 58.100 -0.007 0.000 1.164 325 Y CB -1.026 37.432 38.460 -0.004 0.000 0.982 325 Y HN 0.180 nan 8.280 nan 0.000 0.515 326 L N 0.176 121.500 121.223 0.169 0.000 2.046 326 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 326 L C 2.400 179.312 176.870 0.069 0.000 1.077 326 L CA 2.007 56.904 54.840 0.095 0.000 0.747 326 L CB -1.107 40.995 42.059 0.072 0.000 0.896 326 L HN 0.128 nan 8.230 nan 0.000 0.432 327 A N -0.651 122.207 122.820 0.064 0.000 1.902 327 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 327 A C 2.450 180.051 177.584 0.029 0.000 1.181 327 A CA 1.895 53.958 52.037 0.043 0.000 0.623 327 A CB -1.161 17.863 19.000 0.039 0.000 0.818 327 A HN 0.569 nan 8.150 nan 0.000 0.443 328 A N -0.584 122.258 122.820 0.037 0.000 1.877 328 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 328 A C 2.243 179.817 177.584 -0.018 0.000 1.186 328 A CA 1.843 53.885 52.037 0.008 0.000 0.620 328 A CB -1.014 18.005 19.000 0.031 0.000 0.822 328 A HN 0.406 nan 8.150 nan 0.000 0.443 329 V N 0.633 120.545 119.914 -0.003 0.000 2.343 329 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 329 V C 2.167 178.259 176.094 -0.004 0.000 1.051 329 V CA 2.389 64.673 62.300 -0.026 0.000 1.036 329 V CB -0.827 30.989 31.823 -0.011 0.000 0.654 329 V HN 0.494 nan 8.190 nan 0.000 0.451 330 D N 0.132 120.546 120.400 0.024 0.000 2.144 330 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 330 D C 2.437 178.746 176.300 0.015 0.000 0.978 330 D CA 1.664 55.697 54.000 0.054 0.000 0.833 330 D CB -0.255 40.587 40.800 0.071 0.000 0.961 330 D HN 0.592 nan 8.370 nan 0.000 0.470 331 S N -0.191 115.497 115.700 -0.019 0.000 2.383 331 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 331 S C 2.172 176.731 174.600 -0.068 0.000 1.026 331 S CA 0.759 58.924 58.200 -0.058 0.000 0.981 331 S CB -0.531 62.641 63.200 -0.046 0.000 0.818 331 S HN 0.074 nan 8.310 nan 0.000 0.472 332 V N 2.268 122.146 119.914 -0.060 0.000 2.358 332 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 332 V C 2.836 178.913 176.094 -0.030 0.000 1.047 332 V CA 2.160 64.417 62.300 -0.071 0.000 1.035 332 V CB -0.862 30.884 31.823 -0.129 0.000 0.658 332 V HN 0.643 nan 8.190 nan 0.000 0.452 333 E N 0.229 120.434 120.200 0.009 0.000 2.058 333 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 333 E C 2.258 178.897 176.600 0.065 0.000 0.997 333 E CA 1.789 58.241 56.400 0.088 0.000 0.801 333 E CB -0.110 29.689 29.700 0.164 0.000 0.746 333 E HN 0.723 nan 8.360 nan 0.000 0.450 334 E N -0.296 119.831 120.200 -0.122 0.000 2.150 334 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 334 E C 1.866 178.295 176.600 -0.286 0.000 0.985 334 E CA 0.864 56.929 56.400 -0.558 0.000 0.814 334 E CB -0.104 29.024 29.700 -0.953 0.000 0.752 334 E HN 0.345 nan 8.360 nan 0.000 0.466 335 A N 0.407 123.142 122.820 -0.141 0.000 1.902 335 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 335 A C 2.373 179.957 177.584 -0.001 0.000 1.181 335 A CA 1.349 53.348 52.037 -0.065 0.000 0.623 335 A CB -0.619 18.359 19.000 -0.037 0.000 0.818 335 A HN 0.221 nan 8.150 nan 0.000 0.443 336 V N -0.364 119.576 119.914 0.044 0.000 2.295 336 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 336 V C 2.586 178.753 176.094 0.122 0.000 1.049 336 V CA 2.041 64.421 62.300 0.133 0.000 1.024 336 V CB -0.713 31.241 31.823 0.220 0.000 0.648 336 V HN 0.376 nan 8.190 nan 0.000 0.447 337 V N 0.317 120.290 119.914 0.097 0.000 2.343 337 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 337 V C 2.080 178.199 176.094 0.042 0.000 1.051 337 V CA 2.360 64.722 62.300 0.102 0.000 1.036 337 V CB -1.063 30.901 31.823 0.235 0.000 0.654 337 V HN 0.618 nan 8.190 nan 0.000 0.451 338 N N 0.154 118.842 118.700 -0.019 0.000 2.149 338 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 338 N C 1.930 177.444 175.510 0.007 0.000 1.019 338 N CA 1.188 54.220 53.050 -0.030 0.000 0.857 338 N CB -0.248 38.200 38.487 -0.066 0.000 0.997 338 N HN 0.506 nan 8.380 nan 0.000 0.426 339 A N 1.045 123.885 122.820 0.034 0.000 1.902 339 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 339 A C 2.130 179.750 177.584 0.060 0.000 1.181 339 A CA 1.228 53.296 52.037 0.050 0.000 0.623 339 A CB -0.404 18.646 19.000 0.083 0.000 0.818 339 A HN 0.214 nan 8.150 nan 0.000 0.443 340 M N -0.731 118.913 119.600 0.074 0.000 2.175 340 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 340 M C 1.806 178.131 176.300 0.042 0.000 1.063 340 M CA 1.033 56.372 55.300 0.065 0.000 1.119 340 M CB -0.344 32.290 32.600 0.055 0.000 1.377 340 M HN 0.280 nan 8.290 nan 0.000 0.415 341 I N 0.473 121.059 120.570 0.025 0.000 2.315 341 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 341 I C 2.610 178.792 176.117 0.108 0.000 1.117 341 I CA 1.342 62.660 61.300 0.030 0.000 1.404 341 I CB -1.566 36.379 38.000 -0.092 0.000 1.071 341 I HN 0.182 nan 8.210 nan 0.000 0.419 342 A N 0.635 123.487 122.820 0.053 0.000 2.067 342 A HA 0.273 4.593 4.320 -0.000 0.000 0.217 342 A C 1.613 179.219 177.584 0.037 0.000 1.156 342 A CA 0.642 52.705 52.037 0.043 0.000 0.683 342 A CB -0.569 18.437 19.000 0.009 0.000 0.808 342 A HN 0.322 nan 8.150 nan 0.000 0.455 343 A N 0.123 122.967 122.820 0.041 0.000 2.406 343 A HA 0.471 4.790 4.320 -0.000 0.000 0.243 343 A C 0.036 177.634 177.584 0.023 0.000 1.082 343 A CA -0.020 52.034 52.037 0.028 0.000 0.786 343 A CB 0.098 19.127 19.000 0.047 0.000 1.029 343 A HN 0.549 nan 8.150 nan 0.000 0.495 344 E N 0.174 120.379 120.200 0.009 0.000 2.299 344 E HA 0.359 4.709 4.350 -0.000 0.000 0.265 344 E C -1.319 175.287 176.600 0.010 0.000 0.911 344 E CA -0.988 55.412 56.400 -0.001 0.000 0.789 344 E CB 1.185 30.878 29.700 -0.011 0.000 1.246 344 E HN 0.664 nan 8.360 nan 0.000 0.427 345 D N 1.322 121.727 120.400 0.008 0.000 2.443 345 D HA 0.109 4.749 4.640 -0.000 0.000 0.234 345 D C -0.469 175.838 176.300 0.013 0.000 1.172 345 D CA 0.955 54.967 54.000 0.019 0.000 0.878 345 D CB 0.397 41.205 40.800 0.013 0.000 1.204 345 D HN 0.230 nan 8.370 nan 0.000 0.453 346 M N 0.692 120.301 119.600 0.016 0.000 2.413 346 M HA 0.497 4.977 4.480 -0.000 0.000 0.287 346 M C -0.291 176.015 176.300 0.010 0.000 1.186 346 M CA 0.037 55.343 55.300 0.009 0.000 0.927 346 M CB 1.824 34.426 32.600 0.004 0.000 1.715 346 M HN 0.605 nan 8.290 nan 0.000 0.478 347 G N 1.801 110.608 108.800 0.011 0.000 2.500 347 G HA2 0.290 4.250 3.960 -0.000 0.000 0.209 347 G HA3 0.290 4.250 3.960 -0.000 0.000 0.209 347 G C 0.344 175.251 174.900 0.012 0.000 1.283 347 G CA 0.157 45.265 45.100 0.014 0.000 0.960 347 G HN 2.150 nan 8.290 nan 0.000 0.528 348 G N -2.109 106.694 108.800 0.005 0.000 2.159 348 G HA2 0.180 4.140 3.960 -0.000 0.000 0.256 348 G HA3 0.180 4.140 3.960 -0.000 0.000 0.256 348 G C 1.159 176.049 174.900 -0.017 0.000 0.977 348 G CA 1.855 46.951 45.100 -0.007 0.000 0.652 348 G HN 2.774 nan 8.290 nan 0.000 0.531 349 T N -2.486 112.065 114.554 -0.005 0.000 2.810 349 T HA 0.638 4.988 4.350 -0.000 0.000 0.277 349 T C -0.784 173.839 174.700 -0.128 0.000 0.973 349 T CA -0.733 61.347 62.100 -0.033 0.000 0.949 349 T CB 1.786 70.693 68.868 0.065 0.000 1.075 349 T HN -0.097 nan 8.240 nan 0.000 0.537 350 P HA 0.090 nan 4.420 nan 0.000 0.225 350 P C 0.507 177.500 177.300 -0.512 0.000 1.148 350 P CA 0.756 63.572 63.100 -0.474 0.000 0.779 350 P CB -0.173 31.114 31.700 -0.689 0.000 0.780 351 F N -1.474 118.470 119.950 -0.009 0.000 2.765 351 F HA 0.165 4.692 4.527 -0.000 0.000 0.302 351 F C 0.928 176.720 175.800 -0.013 0.000 1.111 351 F CA -0.187 57.807 58.000 -0.010 0.000 1.359 351 F CB -0.410 38.584 39.000 -0.010 0.000 1.097 351 F HN -0.165 nan 8.300 nan 0.000 0.577 352 D N 0.082 120.535 120.400 0.089 0.000 2.277 352 D HA 0.278 4.918 4.640 -0.000 0.000 0.250 352 D C 1.039 177.351 176.300 0.019 0.000 1.032 352 D CA -0.402 53.630 54.000 0.053 0.000 0.947 352 D CB 1.475 42.294 40.800 0.032 0.000 1.159 352 D HN 0.056 nan 8.370 nan 0.000 0.460 353 R N 0.039 120.547 120.500 0.013 0.000 2.265 353 R HA 0.129 4.469 4.340 -0.000 0.000 0.194 353 R C -0.326 175.970 176.300 -0.007 0.000 0.931 353 R CA 0.257 56.358 56.100 0.002 0.000 1.032 353 R CB 0.282 30.584 30.300 0.004 0.000 0.980 353 R HN 0.247 nan 8.270 nan 0.000 0.497 354 L N -0.939 120.280 121.223 -0.006 0.000 2.403 354 L HA 0.488 4.828 4.340 -0.000 0.000 0.253 354 L C -1.032 175.833 176.870 -0.008 0.000 1.045 354 L CA -1.208 53.625 54.840 -0.012 0.000 0.845 354 L CB 0.654 42.703 42.059 -0.016 0.000 1.447 354 L HN -0.284 nan 8.230 nan 0.000 0.411 355 L N 0.874 122.091 121.223 -0.009 0.000 2.343 355 L HA 0.792 5.132 4.340 -0.000 0.000 0.278 355 L C -1.250 175.621 176.870 0.002 0.000 0.996 355 L CA -0.356 54.483 54.840 -0.001 0.000 0.831 355 L CB 1.747 43.805 42.059 -0.001 0.000 1.232 355 L HN 0.353 nan 8.230 nan 0.000 0.413 356 V N 5.480 125.401 119.914 0.011 0.000 2.370 356 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 356 V C 0.036 176.165 176.094 0.058 0.000 1.029 356 V CA -0.487 61.828 62.300 0.025 0.000 0.870 356 V CB 1.262 33.098 31.823 0.022 0.000 0.984 356 V HN 0.791 nan 8.190 nan 0.000 0.451 357 Q N 2.746 122.603 119.800 0.095 0.000 2.230 357 Q HA 0.700 5.040 4.340 -0.000 0.000 0.248 357 Q C 0.098 176.233 176.000 0.225 0.000 0.915 357 Q CA -0.500 55.386 55.803 0.138 0.000 0.900 357 Q CB 1.800 30.633 28.738 0.158 0.000 1.229 357 Q HN 0.875 nan 8.270 nan 0.000 0.439 358 A N 2.307 125.203 122.820 0.126 0.000 2.371 358 A HA 0.269 4.589 4.320 -0.000 0.000 0.257 358 A C -0.115 177.450 177.584 -0.031 0.000 1.089 358 A CA -0.492 51.590 52.037 0.075 0.000 0.794 358 A CB 0.169 19.177 19.000 0.014 0.000 1.029 358 A HN 0.856 nan 8.150 nan 0.000 0.488 359 I N 1.099 121.476 120.570 -0.321 0.000 2.752 359 I HA -0.031 4.139 4.170 -0.000 0.000 0.289 359 I C 0.135 176.116 176.117 -0.225 0.000 1.197 359 I CA 0.111 60.982 61.300 -0.715 0.000 1.432 359 I CB 0.354 37.739 38.000 -1.024 0.000 1.359 359 I HN 0.768 nan 8.210 nan 0.000 0.571 360 D N 5.868 126.169 120.400 -0.165 0.000 2.343 360 D HA 0.069 4.709 4.640 -0.000 0.000 0.255 360 D C 1.051 177.371 176.300 0.033 0.000 1.187 360 D CA 0.261 54.220 54.000 -0.069 0.000 0.875 360 D CB 0.646 41.430 40.800 -0.026 0.000 1.136 360 D HN 0.551 nan 8.370 nan 0.000 0.469 361 H N 2.192 121.220 119.070 -0.071 0.000 2.353 361 H HA -0.086 4.470 4.556 -0.000 0.000 0.300 361 H C 1.252 176.555 175.328 -0.042 0.000 1.090 361 H CA 0.439 56.452 56.048 -0.058 0.000 1.327 361 H CB 0.538 30.277 29.762 -0.038 0.000 1.383 361 H HN 0.485 nan 8.280 nan 0.000 0.508 362 E N 0.843 121.101 120.200 0.097 0.000 2.107 362 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 362 E C 2.261 178.877 176.600 0.028 0.000 0.982 362 E CA 0.451 56.880 56.400 0.048 0.000 0.809 362 E CB -0.011 29.707 29.700 0.029 0.000 0.756 362 E HN 0.413 nan 8.360 nan 0.000 0.459 363 R N 0.439 120.954 120.500 0.025 0.000 2.092 363 R HA -0.029 4.311 4.340 -0.000 0.000 0.231 363 R C 2.518 178.825 176.300 0.011 0.000 1.119 363 R CA 0.472 56.586 56.100 0.022 0.000 0.970 363 R CB -0.485 29.836 30.300 0.034 0.000 0.864 363 R HN 0.207 nan 8.270 nan 0.000 0.440 364 L N 0.848 122.070 121.223 -0.001 0.000 1.989 364 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 364 L C 2.454 179.309 176.870 -0.024 0.000 1.071 364 L CA 1.655 56.480 54.840 -0.025 0.000 0.749 364 L CB -0.245 41.784 42.059 -0.050 0.000 0.890 364 L HN 0.186 nan 8.230 nan 0.000 0.431 365 R N -0.452 120.040 120.500 -0.014 0.000 2.103 365 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 365 R C 2.293 178.586 176.300 -0.012 0.000 1.142 365 R CA 1.567 57.657 56.100 -0.016 0.000 0.960 365 R CB -0.523 29.774 30.300 -0.005 0.000 0.858 365 R HN 0.508 nan 8.270 nan 0.000 0.439 366 A N 0.473 123.290 122.820 -0.006 0.000 1.902 366 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 366 A C 2.353 179.929 177.584 -0.014 0.000 1.181 366 A CA 1.543 53.575 52.037 -0.008 0.000 0.623 366 A CB -0.523 18.475 19.000 -0.003 0.000 0.818 366 A HN 0.138 nan 8.150 nan 0.000 0.443 367 V N 0.186 120.088 119.914 -0.020 0.000 2.358 367 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 367 V C 2.539 178.659 176.094 0.043 0.000 1.047 367 V CA 1.841 64.120 62.300 -0.036 0.000 1.035 367 V CB -0.776 30.997 31.823 -0.084 0.000 0.658 367 V HN 0.566 nan 8.190 nan 0.000 0.452 368 L N -0.376 120.847 121.223 0.000 0.000 2.083 368 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 368 L C 2.713 179.607 176.870 0.040 0.000 1.083 368 L CA 1.685 56.530 54.840 0.008 0.000 0.752 368 L CB -0.639 41.394 42.059 -0.044 0.000 0.899 368 L HN 0.271 nan 8.230 nan 0.000 0.433 369 R N 0.323 120.831 120.500 0.014 0.000 2.081 369 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 369 R C 2.296 178.595 176.300 -0.002 0.000 1.131 369 R CA 1.508 57.609 56.100 0.002 0.000 0.960 369 R CB -0.094 30.200 30.300 -0.011 0.000 0.856 369 R HN 0.453 nan 8.270 nan 0.000 0.436 370 Q N -1.114 118.676 119.800 -0.016 0.000 2.226 370 Q HA -0.186 4.153 4.340 -0.000 0.000 0.204 370 Q C 0.622 176.511 176.000 -0.185 0.000 0.975 370 Q CA 1.308 57.041 55.803 -0.116 0.000 0.866 370 Q CB 0.110 28.728 28.738 -0.200 0.000 0.915 370 Q HN 0.499 nan 8.270 nan 0.000 0.440 371 Y N -0.846 119.413 120.300 -0.069 0.000 2.555 371 Y HA 0.283 4.833 4.550 -0.000 0.000 0.259 371 Y C 1.113 176.987 175.900 -0.045 0.000 1.179 371 Y CA 0.077 58.146 58.100 -0.051 0.000 1.230 371 Y CB 0.909 39.336 38.460 -0.055 0.000 1.146 371 Y HN 0.117 nan 8.280 nan 0.000 0.526 372 G N 1.207 110.048 108.800 0.069 0.000 2.273 372 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.280 372 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.280 372 G C 0.763 175.674 174.900 0.018 0.000 1.047 372 G CA 0.306 45.422 45.100 0.027 0.000 0.869 372 G HN 0.381 nan 8.290 nan 0.000 0.502 373 R N -1.468 119.040 120.500 0.013 0.000 2.600 373 R HA 0.418 4.758 4.340 -0.000 0.000 0.392 373 R C 0.238 176.509 176.300 -0.049 0.000 1.032 373 R CA -0.385 55.698 56.100 -0.028 0.000 1.139 373 R CB 0.364 30.637 30.300 -0.045 0.000 1.400 373 R HN 0.327 nan 8.270 nan 0.000 0.566 374 L N 1.093 122.299 121.223 -0.030 0.000 2.255 374 L HA 0.625 4.965 4.340 -0.000 0.000 0.289 374 L C -0.008 176.843 176.870 -0.031 0.000 1.046 374 L CA -0.442 54.377 54.840 -0.035 0.000 0.816 374 L CB 0.812 42.856 42.059 -0.024 0.000 1.197 374 L HN 0.176 nan 8.230 nan 0.000 0.427 375 A N 0.000 122.797 122.820 -0.038 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 375 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486