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 3hvg_1_A DATA FIRST_RESID -4 DATA SEQUENCE TGSFVEMVDN LRGKSGQGYY VEMTVGSPPQ TLNILVDTGS SNFAVGAAPH DATA SEQUENCE PFLHRYYQRQ LSSTYRDLRK GVYVPYTQGK WEGELGTDLV SIPHGPNVTV DATA SEQUENCE RANIAAITES DKFFINGSNW EGILGLAYAE IARPDDSLEP FFDSLVKQTH DATA SEQUENCE VPNLFSLQLc GAXXXXXXXX XXXSVGGSMI IGGIDHSLYT GSLWYTPIRR DATA SEQUENCE EWYYEVIIVR VEINGQDLKM DcKEYNYDKS IVDSGTTNLR LPKKVFEAAV DATA SEQUENCE KSIKAASSTE KFPDGFWLGE QLVcWQAGTT PWNIFPVISL YLMGEVTNQS DATA SEQUENCE FRITILPQQY LRPVEDVATS QDDcYKFAIS QSSTGTVMGA VIMEGFYVVF DATA SEQUENCE DRARKRIGFA VSAcHVHDEF RTAAVEGPFV TLDMEDcGYN 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 -4 T HA 0.000 nan 4.350 nan 0.000 0.228 -4 T C 0.000 174.645 174.700 -0.091 0.000 1.109 -4 T CA 0.000 62.045 62.100 -0.092 0.000 1.349 -4 T CB 0.000 68.818 68.868 -0.083 0.000 0.612 -3 G N 0.819 109.578 108.800 -0.069 0.000 3.715 -3 G HA2 0.372 4.332 3.960 -0.000 0.000 0.228 -3 G HA3 0.372 4.332 3.960 -0.000 0.000 0.228 -3 G C -0.416 174.534 174.900 0.084 0.000 1.825 -3 G CA 0.421 45.545 45.100 0.041 0.000 1.134 -3 G HN 0.985 nan 8.290 nan 0.000 0.556 -2 S N 0.360 115.994 115.700 -0.110 0.000 2.733 -2 S HA 0.675 5.145 4.470 -0.000 0.000 0.307 -2 S C -0.746 173.751 174.600 -0.172 0.000 1.127 -2 S CA -0.520 57.657 58.200 -0.039 0.000 1.097 -2 S CB 0.060 63.235 63.200 -0.041 0.000 1.003 -2 S HN 0.277 nan 8.310 nan 0.000 0.477 -1 F N 4.966 124.959 119.950 0.072 0.000 2.395 -1 F HA 0.213 4.740 4.527 -0.000 0.000 0.347 -1 F C 1.534 177.374 175.800 0.067 0.000 1.157 -1 F CA -0.713 57.334 58.000 0.077 0.000 1.272 -1 F CB 0.523 39.584 39.000 0.103 0.000 1.607 -1 F HN 0.518 nan 8.300 nan 0.000 0.571 0 V N -1.728 118.271 119.914 0.142 0.000 2.626 0 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 0 V C 1.764 177.931 176.094 0.121 0.000 1.067 0 V CA 1.526 63.890 62.300 0.108 0.000 1.081 0 V CB -0.375 31.482 31.823 0.056 0.000 0.686 0 V HN 0.372 nan 8.190 nan 0.000 0.468 1 E N 0.214 120.500 120.200 0.144 0.000 2.274 1 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 1 E C 1.992 178.702 176.600 0.184 0.000 0.996 1 E CA 1.325 57.819 56.400 0.157 0.000 0.840 1 E CB -0.293 29.494 29.700 0.144 0.000 0.772 1 E HN 0.622 nan 8.360 nan 0.000 0.491 2 M N -0.475 119.239 119.600 0.190 0.000 2.414 2 M HA 0.101 4.580 4.480 -0.000 0.000 0.251 2 M C -0.068 176.308 176.300 0.127 0.000 1.116 2 M CA -0.067 55.334 55.300 0.169 0.000 1.056 2 M CB 1.025 33.729 32.600 0.173 0.000 1.388 2 M HN -0.208 nan 8.290 nan 0.000 0.487 3 V N 2.478 122.465 119.914 0.122 0.000 2.599 3 V HA -0.103 4.017 4.120 -0.000 0.000 0.300 3 V C 0.450 176.569 176.094 0.041 0.000 1.034 3 V CA 0.879 63.227 62.300 0.080 0.000 1.115 3 V CB 0.355 32.220 31.823 0.071 0.000 0.934 3 V HN 0.596 nan 8.190 nan 0.000 0.485 4 D N 3.207 123.622 120.400 0.025 0.000 2.800 4 D HA -0.183 4.457 4.640 -0.000 0.000 0.232 4 D C 0.977 177.260 176.300 -0.029 0.000 1.137 4 D CA 1.049 55.047 54.000 -0.002 0.000 0.718 4 D CB -0.738 40.055 40.800 -0.012 0.000 1.084 4 D HN 0.858 nan 8.370 nan 0.000 0.432 5 N N -0.210 118.487 118.700 -0.006 0.000 2.412 5 N HA 0.022 4.762 4.740 -0.000 0.000 0.184 5 N C 0.566 176.072 175.510 -0.006 0.000 1.101 5 N CA 0.282 53.323 53.050 -0.014 0.000 0.881 5 N CB -0.030 38.498 38.487 0.068 0.000 0.969 5 N HN 0.415 nan 8.380 nan 0.000 0.459 6 L N 0.067 121.282 121.223 -0.014 0.000 2.344 6 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 6 L C 0.413 177.220 176.870 -0.104 0.000 1.035 6 L CA -0.847 53.970 54.840 -0.038 0.000 0.807 6 L CB 1.309 43.381 42.059 0.021 0.000 1.237 6 L HN -0.086 nan 8.230 nan 0.000 0.442 7 R N 0.131 120.421 120.500 -0.349 0.000 2.831 7 R HA 0.885 5.225 4.340 -0.000 0.000 0.266 7 R C -0.827 174.993 176.300 -0.800 0.000 1.051 7 R CA -0.921 54.891 56.100 -0.480 0.000 0.943 7 R CB 2.329 32.362 30.300 -0.445 0.000 1.228 7 R HN 0.825 nan 8.270 nan 0.000 0.467 8 G N 0.512 109.008 108.800 -0.506 0.000 2.368 8 G HA2 0.280 4.240 3.960 -0.000 0.000 0.293 8 G HA3 0.280 4.240 3.960 -0.000 0.000 0.293 8 G C -1.829 172.995 174.900 -0.127 0.000 1.467 8 G CA -0.804 44.092 45.100 -0.340 0.000 0.804 8 G HN 0.116 nan 8.290 nan 0.000 0.535 9 K N 0.246 120.634 120.400 -0.020 0.000 2.095 9 K HA 0.680 4.999 4.320 -0.000 0.000 0.252 9 K C 0.361 176.903 176.600 -0.097 0.000 0.977 9 K CA -0.671 55.596 56.287 -0.035 0.000 0.900 9 K CB 1.686 34.196 32.500 0.016 0.000 1.060 9 K HN 0.497 nan 8.250 nan 0.000 0.449 10 S N -0.098 115.554 115.700 -0.080 0.000 2.549 10 S HA 0.348 4.818 4.470 -0.000 0.000 0.279 10 S C 1.070 175.641 174.600 -0.048 0.000 1.321 10 S CA 1.009 59.162 58.200 -0.078 0.000 1.054 10 S CB -0.243 62.932 63.200 -0.040 0.000 0.899 10 S HN 0.783 nan 8.310 nan 0.000 0.497 11 G N 3.810 112.583 108.800 -0.045 0.000 2.184 11 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.264 11 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.264 11 G C 0.367 175.265 174.900 -0.003 0.000 0.975 11 G CA 0.729 45.819 45.100 -0.017 0.000 0.642 11 G HN 0.735 nan 8.290 nan 0.000 0.536 12 Q N -0.468 119.332 119.800 -0.001 0.000 2.149 12 Q HA 0.473 4.813 4.340 -0.000 0.000 0.221 12 Q C 1.023 177.106 176.000 0.138 0.000 0.807 12 Q CA 0.204 56.061 55.803 0.091 0.000 1.000 12 Q CB 1.615 30.415 28.738 0.104 0.000 1.157 12 Q HN 1.688 nan 8.270 nan 0.000 0.487 13 G N 0.845 109.626 108.800 -0.032 0.000 2.707 13 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.686 13 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.686 13 G C -1.304 173.474 174.900 -0.202 0.000 1.315 13 G CA -0.964 44.081 45.100 -0.091 0.000 0.832 13 G HN 0.159 nan 8.290 nan 0.000 0.573 14 Y N 0.353 120.587 120.300 -0.110 0.000 2.341 14 Y HA 0.646 5.196 4.550 -0.000 0.000 0.337 14 Y C 0.662 176.476 175.900 -0.144 0.000 1.014 14 Y CA -0.169 57.837 58.100 -0.157 0.000 1.111 14 Y CB 1.663 40.044 38.460 -0.133 0.000 1.194 14 Y HN 0.780 nan 8.280 nan 0.000 0.462 15 Y N 0.514 120.838 120.300 0.040 0.000 2.536 15 Y HA 0.809 5.359 4.550 -0.000 0.000 0.347 15 Y C -1.541 174.382 175.900 0.037 0.000 1.000 15 Y CA -1.828 56.264 58.100 -0.013 0.000 1.051 15 Y CB 0.747 39.221 38.460 0.024 0.000 1.259 15 Y HN 0.397 nan 8.280 nan 0.000 0.468 16 V N 2.080 122.135 119.914 0.234 0.000 2.769 16 V HA 0.380 4.500 4.120 -0.000 0.000 0.312 16 V C -0.624 175.605 176.094 0.225 0.000 1.058 16 V CA -0.902 61.503 62.300 0.175 0.000 0.952 16 V CB 1.736 33.602 31.823 0.070 0.000 1.019 16 V HN 0.971 nan 8.190 nan 0.000 0.445 17 E N 5.578 125.908 120.200 0.216 0.000 2.223 17 E HA 0.420 4.770 4.350 -0.000 0.000 0.282 17 E C -0.691 175.986 176.600 0.129 0.000 1.046 17 E CA -0.181 56.333 56.400 0.189 0.000 0.857 17 E CB 0.718 30.555 29.700 0.228 0.000 1.055 17 E HN 0.652 nan 8.360 nan 0.000 0.409 18 M N 2.446 122.103 119.600 0.094 0.000 2.727 18 M HA 0.389 4.869 4.480 -0.000 0.000 0.300 18 M C -0.326 176.005 176.300 0.052 0.000 1.246 18 M CA -1.004 54.333 55.300 0.062 0.000 0.835 18 M CB 2.346 34.983 32.600 0.062 0.000 1.755 18 M HN 0.556 nan 8.290 nan 0.000 0.473 19 T N -0.610 113.965 114.554 0.035 0.000 2.907 19 T HA 0.823 5.173 4.350 -0.000 0.000 0.292 19 T C -0.750 173.955 174.700 0.009 0.000 1.043 19 T CA -0.803 61.310 62.100 0.021 0.000 1.003 19 T CB 1.761 70.639 68.868 0.016 0.000 1.084 19 T HN 0.720 nan 8.240 nan 0.000 0.483 20 V N -1.424 118.477 119.914 -0.021 0.000 2.760 20 V HA 0.965 5.084 4.120 -0.000 0.000 0.309 20 V C 0.319 176.421 176.094 0.014 0.000 1.077 20 V CA 0.219 62.484 62.300 -0.058 0.000 0.910 20 V CB 0.644 32.303 31.823 -0.273 0.000 1.008 20 V HN 2.100 nan 8.190 nan 0.000 0.424 21 G N 3.148 111.992 108.800 0.074 0.000 2.631 21 G HA2 0.227 4.187 3.960 -0.000 0.000 0.504 21 G HA3 0.227 4.187 3.960 -0.000 0.000 0.504 21 G C -0.441 174.514 174.900 0.093 0.000 1.306 21 G CA -0.331 44.855 45.100 0.144 0.000 0.897 21 G HN 1.862 nan 8.290 nan 0.000 0.520 22 S N 2.264 118.021 115.700 0.094 0.000 2.775 22 S HA 0.640 5.110 4.470 -0.000 0.000 0.277 22 S C -2.516 172.115 174.600 0.051 0.000 1.156 22 S CA -0.569 57.667 58.200 0.061 0.000 1.081 22 S CB 2.682 65.916 63.200 0.057 0.000 1.054 22 S HN 0.775 nan 8.310 nan 0.000 0.482 23 P HA 0.265 nan 4.420 nan 0.000 0.271 23 P C -2.745 174.577 177.300 0.036 0.000 1.218 23 P CA -1.421 61.697 63.100 0.029 0.000 0.780 23 P CB -0.509 31.201 31.700 0.017 0.000 0.901 24 P HA 0.092 nan 4.420 nan 0.000 0.269 24 P C -0.635 176.680 177.300 0.025 0.000 1.209 24 P CA 0.324 63.443 63.100 0.030 0.000 0.776 24 P CB 0.611 32.323 31.700 0.019 0.000 0.876 25 Q N 0.836 120.652 119.800 0.027 0.000 2.341 25 Q HA 0.291 4.631 4.340 -0.000 0.000 0.268 25 Q C -0.355 175.652 176.000 0.012 0.000 1.013 25 Q CA -0.527 55.286 55.803 0.018 0.000 0.798 25 Q CB 1.344 30.103 28.738 0.035 0.000 1.253 25 Q HN 0.355 nan 8.270 nan 0.000 0.457 26 T N 3.825 118.387 114.554 0.014 0.000 2.834 26 T HA 0.354 4.703 4.350 -0.000 0.000 0.298 26 T C -0.157 174.557 174.700 0.022 0.000 0.966 26 T CA 0.159 62.274 62.100 0.025 0.000 1.141 26 T CB 0.109 68.998 68.868 0.034 0.000 0.905 26 T HN 0.334 nan 8.240 nan 0.000 0.535 27 L N 3.552 124.794 121.223 0.032 0.000 2.472 27 L HA 0.424 4.764 4.340 -0.000 0.000 0.260 27 L C -0.190 176.708 176.870 0.046 0.000 0.963 27 L CA -0.962 53.894 54.840 0.027 0.000 0.829 27 L CB 2.299 44.367 42.059 0.014 0.000 1.348 27 L HN 0.566 nan 8.230 nan 0.000 0.408 28 N N 2.970 121.683 118.700 0.022 0.000 2.419 28 N HA 0.517 5.257 4.740 -0.000 0.000 0.264 28 N C -1.104 174.455 175.510 0.081 0.000 1.031 28 N CA -0.533 52.532 53.050 0.024 0.000 0.951 28 N CB 1.323 39.659 38.487 -0.251 0.000 1.101 28 N HN 0.250 nan 8.380 nan 0.000 0.488 29 I N 2.875 123.515 120.570 0.116 0.000 2.433 29 I HA 0.236 4.406 4.170 -0.000 0.000 0.292 29 I C -0.131 175.978 176.117 -0.013 0.000 1.001 29 I CA -0.794 60.537 61.300 0.052 0.000 1.119 29 I CB 1.553 39.575 38.000 0.037 0.000 1.289 29 I HN 0.417 nan 8.210 nan 0.000 0.438 30 L N 7.212 128.287 121.223 -0.246 0.000 2.410 30 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 30 L C -0.161 176.552 176.870 -0.261 0.000 1.144 30 L CA 0.145 54.717 54.840 -0.447 0.000 0.863 30 L CB 0.864 42.274 42.059 -1.082 0.000 1.140 30 L HN 0.325 nan 8.230 nan 0.000 0.463 31 V N 4.995 124.802 119.914 -0.179 0.000 2.405 31 V HA 0.222 4.342 4.120 -0.000 0.000 0.264 31 V C -0.362 175.628 176.094 -0.173 0.000 1.048 31 V CA -0.174 62.026 62.300 -0.167 0.000 0.966 31 V CB 0.798 32.536 31.823 -0.142 0.000 1.015 31 V HN 0.736 nan 8.190 nan 0.000 0.477 32 D N 3.244 123.543 120.400 -0.168 0.000 2.473 32 D HA 0.225 4.864 4.640 -0.000 0.000 0.253 32 D C 1.053 177.311 176.300 -0.071 0.000 1.233 32 D CA -0.191 53.740 54.000 -0.115 0.000 0.908 32 D CB 1.896 42.632 40.800 -0.108 0.000 1.170 32 D HN 0.556 nan 8.370 nan 0.000 0.558 33 T N -0.169 114.354 114.554 -0.053 0.000 3.160 33 T HA 0.125 4.474 4.350 -0.000 0.000 0.257 33 T C 1.593 176.427 174.700 0.223 0.000 1.147 33 T CA 0.507 62.657 62.100 0.083 0.000 1.064 33 T CB 0.192 69.020 68.868 -0.065 0.000 0.949 33 T HN 0.300 nan 8.240 nan 0.000 0.526 34 G N 1.002 109.887 108.800 0.143 0.000 2.939 34 G HA2 0.353 4.313 3.960 -0.000 0.000 0.210 34 G HA3 0.353 4.313 3.960 -0.000 0.000 0.210 34 G C 0.514 175.493 174.900 0.131 0.000 1.160 34 G CA 0.226 45.443 45.100 0.195 0.000 0.770 34 G HN 0.759 nan 8.290 nan 0.000 0.543 35 S N -1.652 114.093 115.700 0.075 0.000 2.661 35 S HA 0.672 5.142 4.470 -0.000 0.000 0.285 35 S C -0.173 174.440 174.600 0.020 0.000 1.138 35 S CA -0.396 57.839 58.200 0.058 0.000 0.855 35 S CB 2.089 65.426 63.200 0.228 0.000 1.136 35 S HN -0.075 nan 8.310 nan 0.000 0.484 36 S N 0.468 116.180 115.700 0.021 0.000 2.941 36 S HA 0.403 4.873 4.470 -0.000 0.000 0.251 36 S C -0.779 173.885 174.600 0.106 0.000 1.029 36 S CA -0.506 57.714 58.200 0.033 0.000 1.062 36 S CB -0.501 62.689 63.200 -0.017 0.000 0.977 36 S HN 0.683 nan 8.310 nan 0.000 0.552 37 N N 1.169 119.966 118.700 0.162 0.000 2.399 37 N HA 0.479 5.219 4.740 -0.000 0.000 0.280 37 N C -1.414 174.277 175.510 0.302 0.000 1.008 37 N CA -0.431 52.763 53.050 0.240 0.000 0.894 37 N CB 1.026 39.665 38.487 0.252 0.000 1.273 37 N HN 0.253 nan 8.380 nan 0.000 0.486 38 F N 2.845 122.893 119.950 0.164 0.000 2.467 38 F HA 0.625 5.152 4.527 -0.000 0.000 0.362 38 F C -0.025 175.845 175.800 0.117 0.000 1.090 38 F CA -0.187 57.882 58.000 0.115 0.000 1.202 38 F CB 0.393 39.460 39.000 0.111 0.000 1.113 38 F HN 0.485 nan 8.300 nan 0.000 0.541 39 A N 5.531 128.024 122.820 -0.545 0.000 2.547 39 A HA 0.681 5.000 4.320 -0.000 0.000 0.297 39 A C -1.585 175.666 177.584 -0.554 0.000 1.056 39 A CA -0.319 51.430 52.037 -0.480 0.000 0.688 39 A CB 1.291 19.984 19.000 -0.510 0.000 1.282 39 A HN 1.254 nan 8.150 nan 0.000 0.400 40 V N -0.473 119.212 119.914 -0.381 0.000 2.925 40 V HA 0.933 5.053 4.120 -0.000 0.000 0.311 40 V C 0.345 176.440 176.094 0.001 0.000 1.104 40 V CA -0.208 61.989 62.300 -0.171 0.000 0.954 40 V CB 1.422 33.129 31.823 -0.193 0.000 1.022 40 V HN 1.879 nan 8.190 nan 0.000 0.427 41 G N 1.905 110.772 108.800 0.113 0.000 2.299 41 G HA2 0.513 4.473 3.960 -0.000 0.000 0.256 41 G HA3 0.513 4.473 3.960 -0.000 0.000 0.256 41 G C 0.556 175.541 174.900 0.142 0.000 1.259 41 G CA 0.184 45.323 45.100 0.066 0.000 0.943 41 G HN 1.891 nan 8.290 nan 0.000 0.479 42 A N 1.724 124.621 122.820 0.129 0.000 2.564 42 A HA 0.795 5.114 4.320 -0.000 0.000 0.279 42 A C 0.862 178.543 177.584 0.160 0.000 1.232 42 A CA 0.720 52.866 52.037 0.183 0.000 0.950 42 A CB 0.103 19.150 19.000 0.078 0.000 1.138 42 A HN 1.721 nan 8.150 nan 0.000 0.526 43 A N -0.224 122.569 122.820 -0.045 0.000 2.602 43 A HA 0.766 5.086 4.320 -0.000 0.000 0.290 43 A C -3.281 173.866 177.584 -0.728 0.000 1.114 43 A CA -1.409 50.401 52.037 -0.378 0.000 0.683 43 A CB 0.335 19.238 19.000 -0.162 0.000 1.281 43 A HN 0.021 nan 8.150 nan 0.000 0.416 44 P HA 0.345 nan 4.420 nan 0.000 0.269 44 P C -0.791 176.365 177.300 -0.240 0.000 1.215 44 P CA 0.436 63.200 63.100 -0.559 0.000 0.780 44 P CB 0.270 31.735 31.700 -0.392 0.000 0.898 45 H N 1.350 120.225 119.070 -0.325 0.000 3.079 45 H HA 0.172 4.728 4.556 -0.000 0.000 0.356 45 H C -2.105 173.058 175.328 -0.275 0.000 1.221 45 H CA -1.601 54.284 56.048 -0.271 0.000 1.185 45 H CB 2.106 31.699 29.762 -0.282 0.000 1.882 45 H HN 0.153 nan 8.280 nan 0.000 0.543 46 P HA -0.051 nan 4.420 nan 0.000 0.221 46 P C 0.563 177.665 177.300 -0.331 0.000 1.145 46 P CA 1.360 64.097 63.100 -0.606 0.000 0.795 46 P CB 0.007 31.143 31.700 -0.941 0.000 0.775 47 F N -2.322 117.554 119.950 -0.124 0.000 2.661 47 F HA 0.237 4.764 4.527 -0.000 0.000 0.306 47 F C 0.738 176.337 175.800 -0.334 0.000 1.094 47 F CA -0.672 57.238 58.000 -0.151 0.000 1.254 47 F CB 0.410 39.387 39.000 -0.037 0.000 1.040 47 F HN -0.259 nan 8.300 nan 0.000 0.562 48 L N 1.039 122.166 121.223 -0.160 0.000 2.272 48 L HA 0.289 4.629 4.340 -0.000 0.000 0.289 48 L C 1.055 177.807 176.870 -0.197 0.000 1.032 48 L CA -0.592 54.063 54.840 -0.307 0.000 0.810 48 L CB 0.944 42.796 42.059 -0.345 0.000 1.205 48 L HN 0.135 nan 8.230 nan 0.000 0.422 49 H N 3.193 122.222 119.070 -0.070 0.000 2.448 49 H HA 0.089 4.645 4.556 -0.000 0.000 0.292 49 H C 0.424 175.757 175.328 0.009 0.000 1.035 49 H CA 0.596 56.625 56.048 -0.031 0.000 1.349 49 H CB 0.296 30.031 29.762 -0.044 0.000 1.425 49 H HN 0.559 nan 8.280 nan 0.000 0.539 50 R N -0.807 119.763 120.500 0.117 0.000 2.831 50 R HA 0.482 4.821 4.340 -0.000 0.000 0.266 50 R C -1.492 174.917 176.300 0.182 0.000 1.051 50 R CA -1.005 55.175 56.100 0.133 0.000 0.943 50 R CB 2.043 32.372 30.300 0.048 0.000 1.228 50 R HN 0.090 nan 8.270 nan 0.000 0.467 51 Y N -2.754 117.521 120.300 -0.042 0.000 2.713 51 Y HA 0.426 4.976 4.550 -0.000 0.000 0.335 51 Y C -1.786 174.147 175.900 0.055 0.000 1.222 51 Y CA -1.682 56.397 58.100 -0.035 0.000 1.061 51 Y CB 0.874 39.286 38.460 -0.080 0.000 1.314 51 Y HN 0.573 nan 8.280 nan 0.000 0.453 52 Y N 3.494 123.771 120.300 -0.037 0.000 2.637 52 Y HA 0.252 4.802 4.550 -0.000 0.000 0.350 52 Y C -0.258 175.531 175.900 -0.184 0.000 1.069 52 Y CA -0.790 57.243 58.100 -0.113 0.000 1.397 52 Y CB 0.586 39.025 38.460 -0.034 0.000 1.163 52 Y HN 0.653 nan 8.280 nan 0.000 0.527 53 Q N 7.776 127.396 119.800 -0.300 0.000 2.681 53 Q HA 0.118 4.458 4.340 -0.000 0.000 0.222 53 Q C 1.198 176.881 176.000 -0.528 0.000 1.258 53 Q CA -0.446 55.113 55.803 -0.408 0.000 1.014 53 Q CB 0.496 29.024 28.738 -0.350 0.000 1.384 53 Q HN 0.756 nan 8.270 nan 0.000 0.570 54 R N 1.401 121.326 120.500 -0.959 0.000 2.152 54 R HA -0.192 4.148 4.340 -0.000 0.000 0.232 54 R C 1.547 177.441 176.300 -0.677 0.000 1.117 54 R CA 1.043 56.378 56.100 -1.274 0.000 0.981 54 R CB -0.170 28.934 30.300 -1.992 0.000 0.870 54 R HN 0.457 nan 8.270 nan 0.000 0.451 55 Q N 1.887 121.445 119.800 -0.404 0.000 2.224 55 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 55 Q C 1.992 177.933 176.000 -0.099 0.000 0.970 55 Q CA 1.152 56.852 55.803 -0.171 0.000 0.865 55 Q CB -0.470 28.202 28.738 -0.110 0.000 0.922 55 Q HN 0.486 nan 8.270 nan 0.000 0.445 56 L N 1.257 122.406 121.223 -0.125 0.000 2.291 56 L HA 0.064 4.404 4.340 -0.000 0.000 0.214 56 L C 1.440 178.304 176.870 -0.011 0.000 1.120 56 L CA 0.395 55.198 54.840 -0.061 0.000 0.799 56 L CB -0.176 41.841 42.059 -0.071 0.000 0.925 56 L HN 0.052 nan 8.230 nan 0.000 0.446 57 S N -0.152 115.549 115.700 0.002 0.000 2.455 57 S HA 0.069 4.539 4.470 -0.000 0.000 0.278 57 S C 1.342 176.014 174.600 0.120 0.000 1.216 57 S CA -0.271 57.988 58.200 0.098 0.000 1.055 57 S CB 0.905 64.229 63.200 0.207 0.000 0.939 57 S HN 0.337 nan 8.310 nan 0.000 0.494 58 S N 3.067 118.823 115.700 0.094 0.000 2.481 58 S HA -0.068 4.401 4.470 -0.000 0.000 0.231 58 S C 1.391 176.049 174.600 0.096 0.000 0.996 58 S CA 0.872 59.121 58.200 0.082 0.000 0.942 58 S CB -0.559 62.673 63.200 0.053 0.000 0.768 58 S HN 0.868 nan 8.310 nan 0.000 0.520 59 T N -2.228 112.398 114.554 0.121 0.000 3.105 59 T HA 0.243 4.593 4.350 -0.000 0.000 0.253 59 T C 0.063 174.859 174.700 0.160 0.000 1.047 59 T CA -0.664 61.502 62.100 0.110 0.000 0.944 59 T CB -0.683 68.237 68.868 0.087 0.000 1.016 59 T HN 0.359 nan 8.240 nan 0.000 0.544 60 Y N 3.533 123.881 120.300 0.080 0.000 2.544 60 Y HA 0.369 4.918 4.550 -0.000 0.000 0.330 60 Y C 0.223 176.164 175.900 0.070 0.000 1.136 60 Y CA -1.205 56.956 58.100 0.101 0.000 1.417 60 Y CB 0.337 38.842 38.460 0.076 0.000 1.229 60 Y HN 0.075 nan 8.280 nan 0.000 0.532 61 R N 4.505 124.709 120.500 -0.492 0.000 2.589 61 R HA 0.216 4.556 4.340 -0.000 0.000 0.293 61 R C -1.332 174.498 176.300 -0.783 0.000 0.963 61 R CA -1.092 54.712 56.100 -0.493 0.000 0.905 61 R CB 1.373 31.554 30.300 -0.199 0.000 1.144 61 R HN 0.626 nan 8.270 nan 0.000 0.459 62 D N 2.716 122.803 120.400 -0.521 0.000 2.274 62 D HA 0.131 4.770 4.640 -0.000 0.000 0.239 62 D C 0.667 176.889 176.300 -0.129 0.000 1.104 62 D CA -0.299 53.519 54.000 -0.305 0.000 0.840 62 D CB 1.342 42.059 40.800 -0.138 0.000 1.100 62 D HN 0.424 nan 8.370 nan 0.000 0.477 63 L N 3.224 124.411 121.223 -0.060 0.000 2.599 63 L HA 0.151 4.491 4.340 -0.000 0.000 0.230 63 L C 0.721 177.596 176.870 0.009 0.000 1.141 63 L CA 0.003 54.836 54.840 -0.012 0.000 0.877 63 L CB -0.156 41.916 42.059 0.022 0.000 1.009 63 L HN 0.466 nan 8.230 nan 0.000 0.447 64 R N 0.517 121.025 120.500 0.014 0.000 3.333 64 R HA -0.203 4.137 4.340 -0.000 0.000 0.256 64 R C -0.202 176.120 176.300 0.036 0.000 1.010 64 R CA 0.676 56.791 56.100 0.025 0.000 0.680 64 R CB -1.437 28.870 30.300 0.013 0.000 1.102 64 R HN 0.267 nan 8.270 nan 0.000 0.440 65 K N -0.989 119.442 120.400 0.052 0.000 2.555 65 K HA 0.635 4.955 4.320 -0.000 0.000 0.279 65 K C -0.607 176.040 176.600 0.079 0.000 0.986 65 K CA -0.306 56.016 56.287 0.058 0.000 0.880 65 K CB 1.960 34.494 32.500 0.056 0.000 1.474 65 K HN 0.131 nan 8.250 nan 0.000 0.433 66 G N 0.437 109.285 108.800 0.081 0.000 2.432 66 G HA2 0.647 4.607 3.960 -0.000 0.000 0.331 66 G HA3 0.647 4.607 3.960 -0.000 0.000 0.331 66 G C -1.653 173.322 174.900 0.124 0.000 1.170 66 G CA -0.526 44.636 45.100 0.103 0.000 0.943 66 G HN 0.356 nan 8.290 nan 0.000 0.483 67 V N 1.299 121.317 119.914 0.174 0.000 2.808 67 V HA 0.742 4.862 4.120 -0.000 0.000 0.308 67 V C -2.116 174.132 176.094 0.257 0.000 1.099 67 V CA -0.932 61.486 62.300 0.196 0.000 0.920 67 V CB 1.913 33.870 31.823 0.224 0.000 1.014 67 V HN 0.859 nan 8.190 nan 0.000 0.425 68 Y N 5.315 125.599 120.300 -0.028 0.000 2.361 68 Y HA 0.782 5.332 4.550 -0.000 0.000 0.337 68 Y C -1.376 174.276 175.900 -0.413 0.000 0.965 68 Y CA -0.959 57.040 58.100 -0.168 0.000 1.091 68 Y CB 2.020 40.410 38.460 -0.117 0.000 1.182 68 Y HN 0.533 nan 8.280 nan 0.000 0.450 69 V N 9.773 128.880 119.914 -1.344 0.000 2.443 69 V HA 0.601 4.720 4.120 -0.000 0.000 0.293 69 V C -2.535 172.538 176.094 -1.701 0.000 1.021 69 V CA -2.209 59.156 62.300 -1.558 0.000 0.848 69 V CB 2.184 32.999 31.823 -1.678 0.000 0.998 69 V HN 0.738 nan 8.190 nan 0.000 0.424 70 P HA 0.478 nan 4.420 nan 0.000 0.290 70 P C -1.678 175.129 177.300 -0.822 0.000 1.275 70 P CA -0.233 62.334 63.100 -0.888 0.000 0.841 70 P CB 1.433 32.813 31.700 -0.534 0.000 1.042 71 Y N -1.037 119.130 120.300 -0.222 0.000 2.805 71 Y HA 0.357 4.907 4.550 -0.000 0.000 0.321 71 Y C 2.232 178.103 175.900 -0.048 0.000 1.203 71 Y CA -0.480 57.558 58.100 -0.103 0.000 1.165 71 Y CB 0.002 38.445 38.460 -0.029 0.000 1.371 71 Y HN 0.169 nan 8.280 nan 0.000 0.564 72 T N -0.793 113.868 114.554 0.177 0.000 2.770 72 T HA -0.135 4.215 4.350 -0.000 0.000 0.263 72 T C 0.571 175.333 174.700 0.103 0.000 1.039 72 T CA 0.984 63.138 62.100 0.091 0.000 1.142 72 T CB -0.078 68.820 68.868 0.050 0.000 0.868 72 T HN 0.388 nan 8.240 nan 0.000 0.435 73 Q N 1.317 121.193 119.800 0.128 0.000 2.421 73 Q HA 0.442 4.782 4.340 -0.000 0.000 0.242 73 Q C 0.118 176.252 176.000 0.224 0.000 1.024 73 Q CA -0.104 55.773 55.803 0.124 0.000 0.891 73 Q CB -0.007 28.770 28.738 0.065 0.000 1.222 73 Q HN 0.552 nan 8.270 nan 0.000 0.483 74 G N 3.193 112.127 108.800 0.224 0.000 2.795 74 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.664 74 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.664 74 G C -1.356 173.714 174.900 0.283 0.000 1.381 74 G CA -0.198 45.075 45.100 0.287 0.000 0.853 74 G HN 0.758 nan 8.290 nan 0.000 0.545 75 K N -1.023 119.480 120.400 0.171 0.000 2.578 75 K HA 0.680 5.000 4.320 -0.000 0.000 0.269 75 K C -0.546 176.008 176.600 -0.076 0.000 0.941 75 K CA -0.982 55.236 56.287 -0.115 0.000 0.847 75 K CB 1.784 34.249 32.500 -0.057 0.000 1.397 75 K HN 1.466 nan 8.250 nan 0.000 0.422 76 W N 0.894 122.059 121.300 -0.224 0.000 3.029 76 W HA 0.659 5.318 4.660 -0.000 0.000 0.339 76 W C -1.470 175.049 176.519 0.000 0.000 1.198 76 W CA -0.705 56.536 57.345 -0.173 0.000 1.148 76 W CB 1.428 30.624 29.460 -0.439 0.000 1.451 76 W HN 0.809 nan 8.180 nan 0.000 0.564 77 E N 0.658 121.183 120.200 0.542 0.000 2.293 77 E HA 0.631 4.981 4.350 -0.000 0.000 0.270 77 E C -0.706 176.132 176.600 0.396 0.000 0.879 77 E CA -0.536 56.155 56.400 0.486 0.000 0.756 77 E CB 2.456 32.318 29.700 0.269 0.000 1.208 77 E HN 0.771 nan 8.360 nan 0.000 0.428 78 G N 2.216 111.234 108.800 0.364 0.000 2.687 78 G HA2 0.342 4.301 3.960 -0.000 0.000 0.291 78 G HA3 0.342 4.301 3.960 -0.000 0.000 0.291 78 G C -1.367 173.637 174.900 0.174 0.000 1.420 78 G CA -0.699 44.519 45.100 0.195 0.000 0.796 78 G HN 0.486 nan 8.290 nan 0.000 0.485 79 E N 0.517 120.799 120.200 0.136 0.000 2.113 79 E HA 0.375 4.725 4.350 -0.000 0.000 0.273 79 E C 0.085 176.783 176.600 0.164 0.000 0.924 79 E CA -0.380 56.105 56.400 0.140 0.000 0.764 79 E CB 2.038 31.816 29.700 0.129 0.000 1.104 79 E HN 0.263 nan 8.360 nan 0.000 0.406 80 L N 1.997 123.311 121.223 0.153 0.000 2.473 80 L HA 0.396 4.735 4.340 -0.000 0.000 0.265 80 L C 0.895 177.850 176.870 0.143 0.000 1.243 80 L CA 0.451 55.383 54.840 0.153 0.000 0.822 80 L CB 0.287 42.421 42.059 0.124 0.000 1.101 80 L HN 0.775 nan 8.230 nan 0.000 0.507 81 G N -0.546 108.334 108.800 0.133 0.000 2.336 81 G HA2 0.406 4.366 3.960 -0.000 0.000 0.300 81 G HA3 0.406 4.366 3.960 -0.000 0.000 0.300 81 G C -1.192 173.773 174.900 0.109 0.000 1.375 81 G CA -0.164 44.973 45.100 0.062 0.000 0.885 81 G HN 0.715 nan 8.290 nan 0.000 0.599 82 T N -1.698 112.874 114.554 0.031 0.000 2.906 82 T HA 0.830 5.179 4.350 -0.000 0.000 0.295 82 T C -1.280 173.498 174.700 0.129 0.000 1.075 82 T CA -0.617 61.535 62.100 0.087 0.000 1.005 82 T CB 3.024 71.910 68.868 0.031 0.000 1.136 82 T HN 0.789 nan 8.240 nan 0.000 0.498 83 D N -0.257 120.234 120.400 0.152 0.000 2.692 83 D HA 0.352 4.992 4.640 -0.000 0.000 0.290 83 D C -1.072 175.279 176.300 0.085 0.000 1.281 83 D CA -0.704 53.398 54.000 0.170 0.000 0.804 83 D CB 1.752 42.742 40.800 0.317 0.000 1.331 83 D HN 0.677 nan 8.370 nan 0.000 0.432 84 L N 1.056 122.322 121.223 0.072 0.000 2.331 84 L HA 0.486 4.826 4.340 -0.000 0.000 0.278 84 L C -0.166 176.717 176.870 0.022 0.000 1.106 84 L CA -0.545 54.312 54.840 0.029 0.000 0.824 84 L CB 1.049 43.124 42.059 0.028 0.000 1.142 84 L HN 0.070 nan 8.230 nan 0.000 0.443 85 V N 2.010 121.927 119.914 0.004 0.000 2.680 85 V HA 0.706 4.826 4.120 -0.000 0.000 0.309 85 V C -0.194 175.927 176.094 0.044 0.000 1.052 85 V CA -0.474 61.838 62.300 0.020 0.000 0.908 85 V CB 2.028 33.864 31.823 0.022 0.000 1.001 85 V HN 0.924 nan 8.190 nan 0.000 0.431 86 S N 3.189 118.916 115.700 0.045 0.000 2.570 86 S HA 0.794 5.263 4.470 -0.000 0.000 0.270 86 S C -1.213 173.411 174.600 0.040 0.000 1.149 86 S CA -0.815 57.412 58.200 0.046 0.000 0.837 86 S CB 1.854 65.064 63.200 0.017 0.000 1.124 86 S HN 0.506 nan 8.310 nan 0.000 0.465 87 I N 1.836 122.431 120.570 0.042 0.000 2.390 87 I HA 0.352 4.521 4.170 -0.000 0.000 0.283 87 I C -2.042 174.076 176.117 0.000 0.000 1.016 87 I CA -2.407 58.915 61.300 0.037 0.000 1.151 87 I CB 1.855 39.890 38.000 0.058 0.000 1.293 87 I HN 0.438 nan 8.210 nan 0.000 0.458 88 P HA -0.175 nan 4.420 nan 0.000 0.216 88 P C 0.491 177.571 177.300 -0.366 0.000 1.153 88 P CA 1.551 64.517 63.100 -0.223 0.000 0.858 88 P CB 0.058 31.582 31.700 -0.293 0.000 0.789 89 H N -1.380 117.723 119.070 0.055 0.000 2.476 89 H HA 0.494 5.050 4.556 -0.000 0.000 0.256 89 H C 0.954 176.323 175.328 0.067 0.000 1.321 89 H CA -0.021 56.063 56.048 0.061 0.000 1.056 89 H CB 0.099 29.897 29.762 0.060 0.000 1.643 89 H HN 0.114 nan 8.280 nan 0.000 0.541 90 G N 1.206 110.075 108.800 0.114 0.000 3.264 90 G HA2 0.360 4.320 3.960 -0.000 0.000 0.168 90 G HA3 0.360 4.320 3.960 -0.000 0.000 0.168 90 G C -2.598 172.363 174.900 0.102 0.000 1.145 90 G CA -1.092 44.073 45.100 0.108 0.000 0.855 90 G HN 0.007 nan 8.290 nan 0.000 0.629 91 P HA 0.207 nan 4.420 nan 0.000 0.288 91 P C -0.680 176.651 177.300 0.050 0.000 1.267 91 P CA -0.630 62.520 63.100 0.083 0.000 0.815 91 P CB 0.961 32.704 31.700 0.071 0.000 0.989 92 N N 2.441 121.169 118.700 0.046 0.000 2.670 92 N HA 0.163 4.902 4.740 -0.000 0.000 0.296 92 N C -0.479 175.038 175.510 0.011 0.000 1.216 92 N CA 0.002 53.066 53.050 0.022 0.000 1.123 92 N CB -0.231 38.269 38.487 0.021 0.000 1.459 92 N HN 0.238 nan 8.380 nan 0.000 0.509 93 V N -0.733 119.184 119.914 0.005 0.000 3.147 93 V HA 0.643 4.763 4.120 -0.000 0.000 0.306 93 V C -0.469 175.616 176.094 -0.015 0.000 1.209 93 V CA -0.782 61.511 62.300 -0.011 0.000 1.023 93 V CB 1.881 33.687 31.823 -0.028 0.000 1.059 93 V HN 0.115 nan 8.190 nan 0.000 0.435 94 T N 2.110 116.648 114.554 -0.026 0.000 2.861 94 T HA 0.817 5.167 4.350 -0.000 0.000 0.287 94 T C -0.529 174.136 174.700 -0.059 0.000 1.003 94 T CA -0.414 61.669 62.100 -0.028 0.000 0.977 94 T CB 1.519 70.379 68.868 -0.014 0.000 0.996 94 T HN 1.802 nan 8.240 nan 0.000 0.448 95 V N 0.516 120.381 119.914 -0.082 0.000 2.760 95 V HA 0.710 4.830 4.120 -0.000 0.000 0.309 95 V C -0.437 175.587 176.094 -0.116 0.000 1.077 95 V CA -1.444 60.774 62.300 -0.137 0.000 0.910 95 V CB 1.867 33.528 31.823 -0.271 0.000 1.008 95 V HN 0.904 nan 8.190 nan 0.000 0.424 96 R N 2.809 123.251 120.500 -0.097 0.000 2.347 96 R HA 0.774 5.114 4.340 -0.000 0.000 0.304 96 R C -0.151 176.091 176.300 -0.098 0.000 1.072 96 R CA 0.687 56.748 56.100 -0.065 0.000 0.980 96 R CB 0.816 31.092 30.300 -0.040 0.000 0.986 96 R HN 1.353 nan 8.270 nan 0.000 0.448 97 A N 3.914 126.695 122.820 -0.066 0.000 2.593 97 A HA 0.410 4.730 4.320 -0.000 0.000 0.290 97 A C -1.333 176.270 177.584 0.032 0.000 1.126 97 A CA -1.048 50.946 52.037 -0.072 0.000 0.695 97 A CB 1.444 20.347 19.000 -0.161 0.000 1.290 97 A HN 0.752 nan 8.150 nan 0.000 0.414 98 N N 0.345 119.092 118.700 0.078 0.000 2.514 98 N HA 0.535 5.275 4.740 -0.000 0.000 0.277 98 N C -0.969 174.719 175.510 0.297 0.000 1.126 98 N CA 0.446 53.592 53.050 0.159 0.000 0.978 98 N CB 0.763 39.339 38.487 0.148 0.000 1.106 98 N HN 0.517 nan 8.380 nan 0.000 0.461 99 I N 0.682 121.441 120.570 0.315 0.000 2.619 99 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 99 I C -0.385 175.894 176.117 0.271 0.000 1.100 99 I CA -1.103 60.442 61.300 0.407 0.000 1.043 99 I CB 2.093 40.344 38.000 0.419 0.000 1.239 99 I HN 0.341 nan 8.210 nan 0.000 0.420 100 A N 4.353 127.271 122.820 0.164 0.000 2.249 100 A HA 0.809 5.129 4.320 -0.000 0.000 0.314 100 A C -0.019 177.549 177.584 -0.027 0.000 1.290 100 A CA -0.522 51.556 52.037 0.069 0.000 0.893 100 A CB 0.835 19.843 19.000 0.014 0.000 1.165 100 A HN 0.808 nan 8.150 nan 0.000 0.530 101 A N 3.819 126.690 122.820 0.085 0.000 2.343 101 A HA 0.550 4.869 4.320 -0.000 0.000 0.305 101 A C 0.020 177.594 177.584 -0.017 0.000 1.308 101 A CA -0.274 51.817 52.037 0.090 0.000 0.949 101 A CB -0.447 18.642 19.000 0.148 0.000 1.148 101 A HN 0.770 nan 8.150 nan 0.000 0.545 102 I N 3.456 123.960 120.570 -0.109 0.000 2.452 102 I HA 0.063 4.233 4.170 -0.000 0.000 0.287 102 I C 1.706 177.835 176.117 0.021 0.000 1.079 102 I CA 0.396 61.620 61.300 -0.126 0.000 1.387 102 I CB 1.214 39.078 38.000 -0.227 0.000 1.404 102 I HN 0.885 nan 8.210 nan 0.000 0.522 103 T N 1.527 116.115 114.554 0.057 0.000 3.038 103 T HA 0.239 4.589 4.350 -0.000 0.000 0.244 103 T C 0.549 175.303 174.700 0.091 0.000 1.016 103 T CA -0.075 62.062 62.100 0.061 0.000 1.098 103 T CB 0.198 69.100 68.868 0.056 0.000 0.954 103 T HN 0.515 nan 8.240 nan 0.000 0.469 104 E N 1.430 121.706 120.200 0.125 0.000 2.248 104 E HA 0.624 4.973 4.350 -0.000 0.000 0.267 104 E C -1.263 175.454 176.600 0.194 0.000 0.877 104 E CA -0.843 55.644 56.400 0.145 0.000 0.759 104 E CB 2.205 31.974 29.700 0.115 0.000 1.182 104 E HN 0.496 nan 8.360 nan 0.000 0.418 105 S N 1.769 117.588 115.700 0.199 0.000 2.537 105 S HA 0.466 4.936 4.470 -0.000 0.000 0.270 105 S C -1.555 173.178 174.600 0.222 0.000 1.142 105 S CA -1.058 57.266 58.200 0.205 0.000 0.870 105 S CB 2.171 65.456 63.200 0.141 0.000 1.112 105 S HN 0.442 nan 8.310 nan 0.000 0.466 106 D N 0.935 121.467 120.400 0.219 0.000 2.620 106 D HA 0.316 4.956 4.640 -0.000 0.000 0.252 106 D C -0.815 175.630 176.300 0.242 0.000 1.207 106 D CA -0.312 53.815 54.000 0.211 0.000 0.884 106 D CB 1.095 41.990 40.800 0.158 0.000 1.262 106 D HN 0.756 nan 8.370 nan 0.000 0.552 107 K N 2.471 123.025 120.400 0.255 0.000 3.156 107 K HA -0.244 4.075 4.320 -0.000 0.000 0.266 107 K C 0.032 176.796 176.600 0.274 0.000 0.966 107 K CA 0.444 56.877 56.287 0.243 0.000 0.719 107 K CB -1.076 31.533 32.500 0.181 0.000 1.333 107 K HN 0.431 nan 8.250 nan 0.000 0.468 108 F N -0.246 119.756 119.950 0.087 0.000 2.532 108 F HA 0.281 4.807 4.527 -0.000 0.000 0.276 108 F C 0.337 176.093 175.800 -0.073 0.000 0.911 108 F CA -0.211 57.784 58.000 -0.009 0.000 1.196 108 F CB 0.496 39.437 39.000 -0.098 0.000 1.087 108 F HN -0.035 nan 8.300 nan 0.000 0.775 109 F N 3.229 123.158 119.950 -0.035 0.000 2.502 109 F HA 0.257 4.784 4.527 -0.000 0.000 0.371 109 F C 0.140 175.818 175.800 -0.202 0.000 1.083 109 F CA -0.182 57.597 58.000 -0.369 0.000 1.174 109 F CB 0.084 38.922 39.000 -0.269 0.000 1.096 109 F HN -0.200 nan 8.300 nan 0.000 0.545 110 I N 3.440 123.805 120.570 -0.341 0.000 2.472 110 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 110 I C 0.541 176.371 176.117 -0.479 0.000 1.016 110 I CA -0.348 60.766 61.300 -0.309 0.000 1.348 110 I CB 0.771 38.626 38.000 -0.240 0.000 1.417 110 I HN 0.596 nan 8.210 nan 0.000 0.521 111 N N 4.505 122.725 118.700 -0.799 0.000 2.431 111 N HA 0.082 4.822 4.740 -0.000 0.000 0.265 111 N C 0.750 175.979 175.510 -0.468 0.000 1.184 111 N CA 0.576 53.025 53.050 -1.002 0.000 0.943 111 N CB 0.440 38.045 38.487 -1.470 0.000 1.080 111 N HN 0.976 nan 8.380 nan 0.000 0.477 112 G N 2.340 110.943 108.800 -0.329 0.000 2.198 112 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 112 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 112 G C 0.833 175.646 174.900 -0.146 0.000 1.042 112 G CA 0.585 45.591 45.100 -0.156 0.000 0.791 112 G HN 0.740 nan 8.290 nan 0.000 0.502 113 S N -0.640 114.900 115.700 -0.267 0.000 2.406 113 S HA 0.061 4.531 4.470 -0.000 0.000 0.224 113 S C 1.406 175.931 174.600 -0.125 0.000 1.030 113 S CA 1.285 59.354 58.200 -0.219 0.000 0.958 113 S CB -0.082 62.768 63.200 -0.584 0.000 0.811 113 S HN 1.616 nan 8.310 nan 0.000 0.489 114 N N 0.197 118.739 118.700 -0.262 0.000 2.979 114 N HA -0.111 4.629 4.740 -0.000 0.000 0.234 114 N C -0.517 174.728 175.510 -0.442 0.000 0.938 114 N CA 1.312 54.226 53.050 -0.227 0.000 0.961 114 N CB -1.809 36.632 38.487 -0.077 0.000 1.089 114 N HN 0.874 nan 8.380 nan 0.000 0.576 115 W N -0.143 120.907 121.300 -0.417 0.000 2.666 115 W HA 0.736 5.396 4.660 -0.000 0.000 0.334 115 W C -0.229 176.197 176.519 -0.155 0.000 1.051 115 W CA -0.615 56.505 57.345 -0.375 0.000 1.224 115 W CB 0.692 29.969 29.460 -0.305 0.000 1.405 115 W HN -0.061 nan 8.180 nan 0.000 0.513 116 E N 1.926 122.230 120.200 0.174 0.000 2.693 116 E HA 0.393 4.742 4.350 -0.000 0.000 0.214 116 E C 0.489 177.270 176.600 0.301 0.000 0.990 116 E CA -0.033 56.412 56.400 0.075 0.000 1.047 116 E CB 1.244 30.909 29.700 -0.059 0.000 1.039 116 E HN 0.698 nan 8.360 nan 0.000 0.475 117 G N 0.040 109.134 108.800 0.490 0.000 2.489 117 G HA2 0.575 4.535 3.960 -0.000 0.000 0.305 117 G HA3 0.575 4.535 3.960 -0.000 0.000 0.305 117 G C -1.794 173.188 174.900 0.136 0.000 1.311 117 G CA -0.696 44.567 45.100 0.272 0.000 0.813 117 G HN 0.076 nan 8.290 nan 0.000 0.480 118 I N -0.399 120.118 120.570 -0.088 0.000 2.692 118 I HA 0.610 4.780 4.170 -0.000 0.000 0.293 118 I C -1.755 174.277 176.117 -0.141 0.000 1.200 118 I CA -1.110 60.116 61.300 -0.123 0.000 1.036 118 I CB 2.073 40.108 38.000 0.058 0.000 1.258 118 I HN 0.543 nan 8.210 nan 0.000 0.421 119 L N 7.822 129.002 121.223 -0.072 0.000 2.264 119 L HA 0.658 4.998 4.340 -0.000 0.000 0.287 119 L C 0.041 176.921 176.870 0.016 0.000 1.039 119 L CA -0.025 54.841 54.840 0.043 0.000 0.829 119 L CB 0.961 42.983 42.059 -0.061 0.000 1.211 119 L HN 0.636 nan 8.230 nan 0.000 0.427 120 G N 5.677 114.544 108.800 0.111 0.000 2.394 120 G HA2 0.374 4.334 3.960 -0.000 0.000 0.298 120 G HA3 0.374 4.334 3.960 -0.000 0.000 0.298 120 G C 0.513 175.440 174.900 0.045 0.000 1.087 120 G CA -0.381 44.768 45.100 0.083 0.000 1.035 120 G HN 0.773 nan 8.290 nan 0.000 0.420 121 L N 1.910 123.110 121.223 -0.040 0.000 2.529 121 L HA 0.228 4.568 4.340 -0.000 0.000 0.223 121 L C 2.006 178.870 176.870 -0.010 0.000 1.113 121 L CA -0.039 54.738 54.840 -0.105 0.000 0.861 121 L CB -0.055 41.748 42.059 -0.426 0.000 1.012 121 L HN 0.560 nan 8.230 nan 0.000 0.461 122 A N -0.764 122.036 122.820 -0.034 0.000 2.292 122 A HA 0.307 4.627 4.320 -0.000 0.000 0.265 122 A C -0.448 176.943 177.584 -0.322 0.000 1.133 122 A CA -0.177 51.673 52.037 -0.311 0.000 0.807 122 A CB 0.020 18.884 19.000 -0.227 0.000 1.102 122 A HN 0.072 nan 8.150 nan 0.000 0.502 123 Y N -1.055 119.098 120.300 -0.245 0.000 2.240 123 Y HA 0.358 4.908 4.550 -0.000 0.000 0.341 123 Y C 1.850 177.728 175.900 -0.038 0.000 1.326 123 Y CA 0.468 58.511 58.100 -0.094 0.000 1.569 123 Y CB 0.302 38.715 38.460 -0.078 0.000 1.426 123 Y HN 0.699 nan 8.280 nan 0.000 0.587 124 A N 0.073 123.021 122.820 0.213 0.000 1.845 124 A HA -0.226 4.093 4.320 -0.000 0.000 0.215 124 A C 1.880 179.515 177.584 0.086 0.000 1.195 124 A CA 1.819 53.929 52.037 0.121 0.000 0.616 124 A CB -1.000 18.069 19.000 0.115 0.000 0.832 124 A HN 0.910 nan 8.150 nan 0.000 0.443 125 E N -0.152 120.109 120.200 0.102 0.000 2.474 125 E HA -0.198 4.152 4.350 -0.000 0.000 0.207 125 E C 0.965 177.616 176.600 0.085 0.000 1.087 125 E CA 1.326 57.779 56.400 0.089 0.000 0.894 125 E CB -0.321 29.447 29.700 0.112 0.000 0.827 125 E HN 0.811 nan 8.360 nan 0.000 0.575 126 I N -4.352 116.237 120.570 0.032 0.000 3.817 126 I HA 0.413 4.583 4.170 -0.000 0.000 0.322 126 I C 0.089 176.166 176.117 -0.068 0.000 1.512 126 I CA -0.613 60.661 61.300 -0.042 0.000 1.066 126 I CB 0.302 38.176 38.000 -0.211 0.000 1.336 126 I HN -0.114 nan 8.210 nan 0.000 0.539 127 A N 2.070 124.878 122.820 -0.019 0.000 2.340 127 A HA 0.738 5.058 4.320 -0.000 0.000 0.268 127 A C -0.020 177.547 177.584 -0.029 0.000 1.100 127 A CA -0.365 51.665 52.037 -0.011 0.000 0.803 127 A CB 0.552 19.573 19.000 0.035 0.000 1.043 127 A HN 0.373 nan 8.150 nan 0.000 0.488 128 R N 2.045 122.516 120.500 -0.048 0.000 2.540 128 R HA 0.382 4.722 4.340 -0.000 0.000 0.287 128 R C -2.148 174.162 176.300 0.017 0.000 0.980 128 R CA -2.581 53.485 56.100 -0.057 0.000 0.966 128 R CB 0.479 30.676 30.300 -0.172 0.000 1.106 128 R HN 0.516 nan 8.270 nan 0.000 0.480 129 P HA -0.079 nan 4.420 nan 0.000 0.226 129 P C -0.405 176.898 177.300 0.005 0.000 1.153 129 P CA 1.136 64.244 63.100 0.014 0.000 0.777 129 P CB 0.410 32.134 31.700 0.040 0.000 0.794 130 D N -1.783 118.626 120.400 0.014 0.000 2.779 130 D HA -0.014 4.626 4.640 -0.000 0.000 0.331 130 D C -0.051 176.263 176.300 0.024 0.000 1.331 130 D CA -0.501 53.507 54.000 0.014 0.000 0.866 130 D CB -0.482 40.328 40.800 0.017 0.000 1.409 130 D HN -0.259 nan 8.370 nan 0.000 0.486 131 D N -0.741 119.674 120.400 0.025 0.000 2.384 131 D HA -0.123 4.517 4.640 -0.000 0.000 0.222 131 D C 1.501 177.824 176.300 0.037 0.000 0.976 131 D CA 1.361 55.382 54.000 0.034 0.000 0.915 131 D CB -0.481 40.337 40.800 0.029 0.000 0.896 131 D HN 0.297 nan 8.370 nan 0.000 0.523 132 S N -0.544 115.176 115.700 0.033 0.000 2.453 132 S HA -0.066 4.404 4.470 -0.000 0.000 0.231 132 S C 0.806 175.431 174.600 0.042 0.000 1.005 132 S CA -0.434 57.786 58.200 0.034 0.000 0.949 132 S CB -0.484 62.733 63.200 0.029 0.000 0.774 132 S HN 0.221 nan 8.310 nan 0.000 0.510 133 L N 3.076 124.329 121.223 0.050 0.000 2.315 133 L HA 0.407 4.747 4.340 -0.000 0.000 0.283 133 L C 0.077 176.989 176.870 0.070 0.000 1.089 133 L CA -0.225 54.653 54.840 0.063 0.000 0.833 133 L CB 0.436 42.541 42.059 0.076 0.000 1.170 133 L HN 0.269 nan 8.230 nan 0.000 0.442 134 E N 7.170 127.408 120.200 0.063 0.000 2.257 134 E HA 0.221 4.571 4.350 -0.000 0.000 0.278 134 E C -2.197 174.452 176.600 0.080 0.000 1.049 134 E CA -1.686 54.750 56.400 0.061 0.000 0.876 134 E CB 0.727 30.447 29.700 0.034 0.000 1.035 134 E HN 0.452 nan 8.360 nan 0.000 0.419 135 P HA -0.010 nan 4.420 nan 0.000 0.274 135 P C 0.249 177.637 177.300 0.146 0.000 1.256 135 P CA -0.227 62.961 63.100 0.147 0.000 0.795 135 P CB 0.471 32.255 31.700 0.140 0.000 1.038 136 F N 0.727 120.706 119.950 0.048 0.000 2.065 136 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 136 F C 2.134 177.924 175.800 -0.018 0.000 1.112 136 F CA 1.602 59.579 58.000 -0.038 0.000 1.212 136 F CB -0.728 38.220 39.000 -0.087 0.000 0.975 136 F HN 0.174 nan 8.300 nan 0.000 0.476 137 F N 1.107 121.115 119.950 0.097 0.000 2.293 137 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 137 F C 1.868 177.635 175.800 -0.055 0.000 1.086 137 F CA 1.796 59.804 58.000 0.015 0.000 1.375 137 F CB -0.416 38.632 39.000 0.081 0.000 1.045 137 F HN 0.010 nan 8.300 nan 0.000 0.516 138 D N -1.051 119.430 120.400 0.135 0.000 2.194 138 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 138 D C 2.360 178.621 176.300 -0.066 0.000 0.964 138 D CA 1.261 55.306 54.000 0.075 0.000 0.846 138 D CB -0.363 40.499 40.800 0.103 0.000 0.962 138 D HN 0.131 nan 8.370 nan 0.000 0.490 139 S N 0.576 116.182 115.700 -0.157 0.000 2.356 139 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 139 S C 1.830 176.234 174.600 -0.327 0.000 1.032 139 S CA 0.383 58.441 58.200 -0.237 0.000 1.005 139 S CB -0.385 62.630 63.200 -0.307 0.000 0.867 139 S HN 0.154 nan 8.310 nan 0.000 0.449 140 L N 2.007 122.920 121.223 -0.517 0.000 2.013 140 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 140 L C 2.190 178.843 176.870 -0.360 0.000 1.073 140 L CA 1.649 56.167 54.840 -0.537 0.000 0.753 140 L CB -0.619 40.989 42.059 -0.752 0.000 0.890 140 L HN 0.151 nan 8.230 nan 0.000 0.432 141 V N -0.785 118.936 119.914 -0.321 0.000 2.667 141 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 141 V C 2.581 178.603 176.094 -0.120 0.000 1.065 141 V CA 1.506 63.697 62.300 -0.181 0.000 1.083 141 V CB -0.638 31.142 31.823 -0.072 0.000 0.692 141 V HN 0.423 nan 8.190 nan 0.000 0.468 142 K N -0.049 120.282 120.400 -0.115 0.000 2.025 142 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 142 K C 2.094 178.642 176.600 -0.085 0.000 1.049 142 K CA 1.598 57.836 56.287 -0.083 0.000 0.933 142 K CB -0.066 32.391 32.500 -0.072 0.000 0.714 142 K HN 0.507 nan 8.250 nan 0.000 0.438 143 Q N -0.219 119.513 119.800 -0.112 0.000 2.392 143 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 143 Q C 0.267 176.223 176.000 -0.073 0.000 0.917 143 Q CA 0.374 56.123 55.803 -0.090 0.000 0.939 143 Q CB 1.020 29.690 28.738 -0.112 0.000 1.063 143 Q HN 0.274 nan 8.270 nan 0.000 0.516 144 T N -4.463 110.040 114.554 -0.086 0.000 2.887 144 T HA 0.262 4.612 4.350 -0.000 0.000 0.292 144 T C -0.146 174.549 174.700 -0.010 0.000 1.087 144 T CA -0.779 61.299 62.100 -0.038 0.000 1.009 144 T CB 1.353 70.179 68.868 -0.070 0.000 1.203 144 T HN 0.036 nan 8.240 nan 0.000 0.518 145 H N -0.340 118.706 119.070 -0.039 0.000 2.543 145 H HA 0.449 5.005 4.556 -0.000 0.000 0.269 145 H C 0.481 175.808 175.328 -0.003 0.000 1.005 145 H CA 0.163 56.202 56.048 -0.015 0.000 1.146 145 H CB -0.156 29.605 29.762 -0.001 0.000 1.353 145 H HN 0.376 nan 8.280 nan 0.000 0.595 146 V N 3.046 122.983 119.914 0.039 0.000 2.529 146 V HA 0.040 4.160 4.120 -0.000 0.000 0.292 146 V C -1.742 174.367 176.094 0.025 0.000 1.028 146 V CA -1.361 60.958 62.300 0.031 0.000 1.074 146 V CB 0.829 32.626 31.823 -0.043 0.000 0.958 146 V HN 0.320 nan 8.190 nan 0.000 0.481 147 P HA -0.034 nan 4.420 nan 0.000 0.264 147 P C -0.149 177.261 177.300 0.183 0.000 1.179 147 P CA 0.043 63.208 63.100 0.109 0.000 0.763 147 P CB 0.242 32.019 31.700 0.129 0.000 0.806 148 N N 3.054 121.871 118.700 0.195 0.000 2.671 148 N HA 0.266 5.006 4.740 -0.000 0.000 0.274 148 N C -0.938 174.751 175.510 0.298 0.000 1.188 148 N CA 0.306 53.563 53.050 0.345 0.000 1.065 148 N CB -1.078 37.554 38.487 0.241 0.000 1.415 148 N HN 0.335 nan 8.380 nan 0.000 0.511 149 L N 2.715 124.179 121.223 0.400 0.000 2.830 149 L HA 0.393 4.733 4.340 -0.000 0.000 0.259 149 L C -1.887 175.129 176.870 0.243 0.000 0.926 149 L CA -0.852 54.065 54.840 0.127 0.000 0.993 149 L CB 0.571 42.668 42.059 0.064 0.000 1.589 149 L HN 0.199 nan 8.230 nan 0.000 0.460 150 F N 1.994 121.910 119.950 -0.057 0.000 2.588 150 F HA 0.937 5.464 4.527 -0.000 0.000 0.314 150 F C -0.735 175.010 175.800 -0.092 0.000 1.069 150 F CA -0.615 57.355 58.000 -0.050 0.000 0.931 150 F CB 1.891 40.840 39.000 -0.084 0.000 1.260 150 F HN 0.405 nan 8.300 nan 0.000 0.465 151 S N 2.561 118.286 115.700 0.042 0.000 2.536 151 S HA 0.855 5.325 4.470 -0.000 0.000 0.298 151 S C -1.246 173.383 174.600 0.047 0.000 1.083 151 S CA -0.854 57.261 58.200 -0.141 0.000 0.995 151 S CB 1.926 64.887 63.200 -0.398 0.000 1.058 151 S HN 0.792 nan 8.310 nan 0.000 0.488 152 L N 1.695 122.909 121.223 -0.016 0.000 2.365 152 L HA 0.572 4.911 4.340 -0.000 0.000 0.273 152 L C -0.308 176.627 176.870 0.108 0.000 1.000 152 L CA -0.438 54.438 54.840 0.060 0.000 0.819 152 L CB 2.023 44.109 42.059 0.046 0.000 1.284 152 L HN 0.714 nan 8.230 nan 0.000 0.418 153 Q N 4.556 124.448 119.800 0.154 0.000 2.401 153 Q HA 0.463 4.802 4.340 -0.000 0.000 0.260 153 Q C -1.644 174.324 176.000 -0.053 0.000 1.034 153 Q CA -0.522 55.366 55.803 0.142 0.000 0.737 153 Q CB 1.297 30.140 28.738 0.175 0.000 1.227 153 Q HN 0.604 nan 8.270 nan 0.000 0.488 154 L N 3.409 124.539 121.223 -0.154 0.000 2.264 154 L HA 0.500 4.839 4.340 -0.000 0.000 0.289 154 L C -0.323 176.493 176.870 -0.091 0.000 1.044 154 L CA -0.747 53.859 54.840 -0.391 0.000 0.807 154 L CB 0.974 42.613 42.059 -0.701 0.000 1.192 154 L HN 0.594 nan 8.230 nan 0.000 0.425 155 c N 2.231 120.852 118.600 0.035 0.000 2.365 155 c HA 0.677 5.247 4.570 -0.000 0.000 0.349 155 c C 1.417 175.602 174.090 0.159 0.000 1.191 155 c CA -0.447 55.938 56.329 0.092 0.000 2.114 155 c CB 1.196 43.745 42.510 0.065 0.000 2.367 155 c HN 1.012 nan 8.230 nan 0.000 0.530 156 G N 0.721 109.577 108.800 0.093 0.000 3.152 156 G HA2 0.680 4.640 3.960 -0.000 0.000 0.157 156 G HA3 0.680 4.640 3.960 -0.000 0.000 0.157 156 G C -0.209 174.723 174.900 0.054 0.000 1.786 156 G CA 0.588 45.738 45.100 0.083 0.000 1.055 156 G HN 1.579 nan 8.290 nan 0.000 0.528 170 V N 1.489 121.349 119.914 -0.090 0.000 3.489 170 V HA 1.032 5.152 4.120 -0.000 0.000 0.297 170 V C 0.811 176.885 176.094 -0.032 0.000 1.071 170 V CA 0.479 62.740 62.300 -0.065 0.000 1.074 170 V CB 0.708 32.446 31.823 -0.142 0.000 1.188 170 V HN 1.677 nan 8.190 nan 0.000 0.458 171 G N -1.422 107.435 108.800 0.095 0.000 2.708 171 G HA2 0.865 4.825 3.960 -0.000 0.000 0.289 171 G HA3 0.865 4.825 3.960 -0.000 0.000 0.289 171 G C -0.543 174.474 174.900 0.195 0.000 1.416 171 G CA -0.316 44.848 45.100 0.106 0.000 0.829 171 G HN 1.691 nan 8.290 nan 0.000 0.480 172 G N -1.508 107.345 108.800 0.087 0.000 2.342 172 G HA2 0.562 4.522 3.960 -0.000 0.000 0.297 172 G HA3 0.562 4.522 3.960 -0.000 0.000 0.297 172 G C -1.518 173.382 174.900 -0.000 0.000 1.313 172 G CA -0.113 44.991 45.100 0.006 0.000 0.830 172 G HN 1.140 nan 8.290 nan 0.000 0.506 173 S N 0.077 115.775 115.700 -0.003 0.000 2.672 173 S HA 0.558 5.027 4.470 -0.000 0.000 0.291 173 S C -0.461 174.171 174.600 0.053 0.000 1.145 173 S CA -0.453 57.770 58.200 0.038 0.000 1.013 173 S CB 1.379 64.619 63.200 0.066 0.000 1.017 173 S HN 0.705 nan 8.310 nan 0.000 0.487 174 M N 5.566 125.193 119.600 0.045 0.000 2.066 174 M HA 0.492 4.972 4.480 -0.000 0.000 0.340 174 M C -1.532 174.816 176.300 0.080 0.000 1.053 174 M CA -0.578 54.755 55.300 0.056 0.000 0.983 174 M CB 0.175 32.775 32.600 -0.000 0.000 1.520 174 M HN 0.419 nan 8.290 nan 0.000 0.428 175 I N 7.393 128.019 120.570 0.093 0.000 2.307 175 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 175 I C -0.244 175.875 176.117 0.004 0.000 1.054 175 I CA -0.361 60.943 61.300 0.006 0.000 1.218 175 I CB 0.244 38.215 38.000 -0.048 0.000 1.398 175 I HN 0.737 nan 8.210 nan 0.000 0.475 176 I N 5.447 126.044 120.570 0.044 0.000 2.337 176 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 176 I C 1.217 177.375 176.117 0.068 0.000 1.046 176 I CA 0.262 61.658 61.300 0.159 0.000 1.324 176 I CB 0.989 39.092 38.000 0.171 0.000 1.409 176 I HN 0.867 nan 8.210 nan 0.000 0.494 177 G N 4.035 112.915 108.800 0.134 0.000 2.179 177 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 177 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 177 G C 0.180 175.085 174.900 0.008 0.000 0.990 177 G CA -0.288 44.877 45.100 0.107 0.000 0.646 177 G HN 1.079 nan 8.290 nan 0.000 0.517 178 G N -1.116 107.548 108.800 -0.226 0.000 2.619 178 G HA2 0.643 4.603 3.960 -0.000 0.000 0.305 178 G HA3 0.643 4.603 3.960 -0.000 0.000 0.305 178 G C -1.550 173.214 174.900 -0.227 0.000 1.330 178 G CA -0.548 44.391 45.100 -0.267 0.000 0.789 178 G HN 0.732 nan 8.290 nan 0.000 0.487 179 I N 1.336 121.942 120.570 0.060 0.000 2.439 179 I HA 0.270 4.440 4.170 -0.000 0.000 0.285 179 I C -1.210 175.197 176.117 0.483 0.000 1.021 179 I CA -0.634 60.833 61.300 0.278 0.000 1.091 179 I CB 2.021 40.189 38.000 0.280 0.000 1.242 179 I HN 0.324 nan 8.210 nan 0.000 0.439 180 D N 4.845 125.528 120.400 0.471 0.000 2.280 180 D HA 0.073 4.712 4.640 -0.000 0.000 0.243 180 D C 0.763 177.240 176.300 0.296 0.000 1.129 180 D CA 0.004 54.254 54.000 0.417 0.000 0.848 180 D CB 1.092 42.069 40.800 0.296 0.000 1.107 180 D HN 0.509 nan 8.370 nan 0.000 0.471 181 H N 1.673 120.842 119.070 0.166 0.000 2.495 181 H HA -0.071 4.485 4.556 -0.000 0.000 0.287 181 H C 1.945 177.150 175.328 -0.204 0.000 1.033 181 H CA 1.719 57.756 56.048 -0.019 0.000 1.307 181 H CB 0.517 30.256 29.762 -0.038 0.000 1.401 181 H HN 0.350 nan 8.280 nan 0.000 0.555 182 S N -0.757 114.920 115.700 -0.039 0.000 2.522 182 S HA -0.006 4.463 4.470 -0.000 0.000 0.227 182 S C 1.633 176.135 174.600 -0.164 0.000 0.986 182 S CA 0.310 58.450 58.200 -0.100 0.000 0.929 182 S CB -0.180 63.005 63.200 -0.025 0.000 0.769 182 S HN 0.426 nan 8.310 nan 0.000 0.529 183 L N 0.392 121.469 121.223 -0.243 0.000 2.592 183 L HA 0.331 4.671 4.340 -0.000 0.000 0.227 183 L C 0.411 177.136 176.870 -0.242 0.000 1.127 183 L CA -0.251 54.377 54.840 -0.354 0.000 0.884 183 L CB -0.292 41.318 42.059 -0.749 0.000 1.065 183 L HN 0.554 nan 8.230 nan 0.000 0.457 184 Y N -2.146 117.940 120.300 -0.356 0.000 2.715 184 Y HA 0.732 5.282 4.550 -0.000 0.000 0.331 184 Y C -0.359 175.449 175.900 -0.153 0.000 1.197 184 Y CA -1.753 56.242 58.100 -0.174 0.000 1.079 184 Y CB 0.913 39.339 38.460 -0.056 0.000 1.298 184 Y HN -0.110 nan 8.280 nan 0.000 0.477 185 T N -1.301 113.242 114.554 -0.019 0.000 2.909 185 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 185 T C 0.214 174.940 174.700 0.043 0.000 1.073 185 T CA -0.205 61.829 62.100 -0.110 0.000 0.999 185 T CB 1.083 69.925 68.868 -0.044 0.000 1.098 185 T HN 2.360 nan 8.240 nan 0.000 0.477 186 G N 1.840 110.638 108.800 -0.004 0.000 2.598 186 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.244 186 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.244 186 G C -0.171 174.832 174.900 0.172 0.000 1.302 186 G CA -0.233 44.918 45.100 0.085 0.000 0.903 186 G HN 1.267 nan 8.290 nan 0.000 0.575 187 S N -0.582 115.223 115.700 0.175 0.000 2.617 187 S HA 0.649 5.119 4.470 -0.000 0.000 0.283 187 S C 0.434 175.048 174.600 0.023 0.000 1.189 187 S CA -0.529 57.724 58.200 0.088 0.000 1.036 187 S CB 1.301 64.464 63.200 -0.062 0.000 1.014 187 S HN 0.622 nan 8.310 nan 0.000 0.522 188 L N 2.440 123.561 121.223 -0.169 0.000 2.290 188 L HA 0.364 4.704 4.340 -0.000 0.000 0.284 188 L C -1.061 175.424 176.870 -0.642 0.000 1.078 188 L CA -0.211 54.373 54.840 -0.427 0.000 0.815 188 L CB 0.520 42.243 42.059 -0.559 0.000 1.162 188 L HN 0.642 nan 8.230 nan 0.000 0.435 189 W N 2.800 123.674 121.300 -0.710 0.000 2.573 189 W HA 0.451 5.110 4.660 -0.001 0.000 0.326 189 W C -0.745 175.121 176.519 -1.088 0.000 1.049 189 W CA -0.242 56.525 57.345 -0.964 0.000 1.220 189 W CB 1.212 29.800 29.460 -1.453 0.000 1.373 189 W HN 0.220 nan 8.180 nan 0.000 0.507 190 Y N 1.635 121.740 120.300 -0.325 0.000 2.352 190 Y HA 0.456 5.006 4.550 -0.000 0.000 0.339 190 Y C 0.572 176.645 175.900 0.288 0.000 0.992 190 Y CA -0.713 57.369 58.100 -0.031 0.000 1.100 190 Y CB 2.152 40.580 38.460 -0.054 0.000 1.192 190 Y HN 0.147 nan 8.280 nan 0.000 0.458 191 T N 5.207 120.106 114.554 0.574 0.000 2.895 191 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 191 T C -2.827 172.049 174.700 0.293 0.000 1.014 191 T CA -2.610 59.772 62.100 0.469 0.000 1.037 191 T CB 0.998 70.080 68.868 0.356 0.000 1.006 191 T HN 0.249 nan 8.240 nan 0.000 0.468 192 P HA 0.351 nan 4.420 nan 0.000 0.280 192 P C -0.451 176.946 177.300 0.163 0.000 1.244 192 P CA -0.390 62.806 63.100 0.161 0.000 0.784 192 P CB 0.211 31.988 31.700 0.127 0.000 0.913 193 I N 3.525 124.194 120.570 0.165 0.000 2.581 193 I HA 0.027 4.196 4.170 -0.000 0.000 0.285 193 I C 2.021 178.232 176.117 0.156 0.000 1.129 193 I CA 0.254 61.671 61.300 0.196 0.000 1.397 193 I CB 0.304 38.444 38.000 0.234 0.000 1.399 193 I HN 0.420 nan 8.210 nan 0.000 0.537 194 R N 5.793 126.400 120.500 0.178 0.000 2.148 194 R HA 0.126 4.466 4.340 -0.000 0.000 0.223 194 R C 0.549 176.932 176.300 0.138 0.000 1.088 194 R CA 0.943 57.135 56.100 0.154 0.000 0.985 194 R CB 0.330 30.738 30.300 0.181 0.000 0.880 194 R HN 0.600 nan 8.270 nan 0.000 0.451 195 R N -0.116 120.500 120.500 0.194 0.000 2.604 195 R HA 0.104 4.444 4.340 -0.000 0.000 0.261 195 R C -1.526 174.879 176.300 0.175 0.000 1.080 195 R CA -0.495 55.690 56.100 0.141 0.000 0.917 195 R CB 1.643 31.998 30.300 0.092 0.000 1.252 195 R HN 0.096 nan 8.270 nan 0.000 0.456 196 E N 4.557 124.690 120.200 -0.112 0.000 1.856 196 E HA 0.048 4.398 4.350 -0.000 0.000 0.263 196 E C -0.134 176.371 176.600 -0.158 0.000 1.137 196 E CA 0.041 56.080 56.400 -0.602 0.000 1.007 196 E CB 0.326 29.462 29.700 -0.940 0.000 1.117 196 E HN 0.446 nan 8.360 nan 0.000 0.438 197 W N 1.571 122.766 121.300 -0.175 0.000 4.565 197 W HA 0.144 4.804 4.660 -0.000 0.000 0.169 197 W C -0.157 176.320 176.519 -0.070 0.000 3.393 197 W CA -0.281 57.030 57.345 -0.058 0.000 1.387 197 W CB -0.552 28.888 29.460 -0.033 0.000 1.999 197 W HN 0.021 nan 8.180 nan 0.000 0.487 198 Y N 0.960 120.884 120.300 -0.627 0.000 2.258 198 Y HA 0.191 4.741 4.550 -0.000 0.000 0.345 198 Y C 0.019 175.779 175.900 -0.234 0.000 1.303 198 Y CA 0.127 57.914 58.100 -0.522 0.000 1.537 198 Y CB 0.001 37.990 38.460 -0.786 0.000 1.383 198 Y HN -0.131 nan 8.280 nan 0.000 0.606 199 Y N 0.862 121.320 120.300 0.264 0.000 2.632 199 Y HA 0.119 4.668 4.550 -0.000 0.000 0.336 199 Y C 0.320 176.337 175.900 0.195 0.000 1.237 199 Y CA -0.311 57.973 58.100 0.306 0.000 1.595 199 Y CB -0.187 38.510 38.460 0.395 0.000 1.508 199 Y HN 0.411 nan 8.280 nan 0.000 0.480 200 E N 3.136 123.503 120.200 0.279 0.000 2.200 200 E HA 0.442 4.792 4.350 -0.000 0.000 0.283 200 E C -0.764 175.965 176.600 0.216 0.000 1.015 200 E CA -0.604 55.924 56.400 0.213 0.000 0.819 200 E CB 0.939 30.820 29.700 0.302 0.000 1.081 200 E HN 0.444 nan 8.360 nan 0.000 0.397 201 V N 1.883 121.893 119.914 0.160 0.000 3.166 201 V HA 0.643 4.763 4.120 -0.000 0.000 0.317 201 V C -0.230 175.920 176.094 0.095 0.000 1.136 201 V CA -0.922 61.454 62.300 0.127 0.000 1.035 201 V CB 1.640 33.522 31.823 0.099 0.000 1.110 201 V HN 0.577 nan 8.190 nan 0.000 0.450 202 I N 1.602 122.209 120.570 0.060 0.000 2.436 202 I HA 0.482 4.652 4.170 -0.000 0.000 0.289 202 I C -0.836 175.273 176.117 -0.014 0.000 1.010 202 I CA -0.420 60.911 61.300 0.051 0.000 1.098 202 I CB 1.906 39.948 38.000 0.071 0.000 1.266 202 I HN 0.512 nan 8.210 nan 0.000 0.434 203 I N 6.436 127.006 120.570 0.000 0.000 2.331 203 I HA 0.130 4.300 4.170 -0.000 0.000 0.292 203 I C 1.094 177.218 176.117 0.012 0.000 0.998 203 I CA -0.271 60.994 61.300 -0.059 0.000 1.267 203 I CB 1.662 39.614 38.000 -0.081 0.000 1.386 203 I HN 0.493 nan 8.210 nan 0.000 0.476 204 V N 2.662 122.547 119.914 -0.048 0.000 3.605 204 V HA 0.420 4.540 4.120 -0.000 0.000 0.284 204 V C 0.466 176.533 176.094 -0.045 0.000 1.386 204 V CA -0.025 62.276 62.300 0.003 0.000 1.053 204 V CB -0.202 31.609 31.823 -0.020 0.000 0.857 204 V HN 0.876 nan 8.190 nan 0.000 0.436 205 R N -0.341 120.031 120.500 -0.213 0.000 2.664 205 R HA 0.636 4.975 4.340 -0.000 0.000 0.260 205 R C -2.530 173.477 176.300 -0.489 0.000 1.062 205 R CA -0.378 55.506 56.100 -0.360 0.000 0.902 205 R CB 2.435 32.375 30.300 -0.599 0.000 1.258 205 R HN 0.023 nan 8.270 nan 0.000 0.465 206 V N 2.761 122.348 119.914 -0.543 0.000 2.588 206 V HA 0.483 4.602 4.120 -0.000 0.000 0.304 206 V C -0.726 175.276 176.094 -0.153 0.000 1.042 206 V CA -0.725 61.354 62.300 -0.368 0.000 0.877 206 V CB 1.925 33.436 31.823 -0.519 0.000 0.996 206 V HN 0.773 nan 8.190 nan 0.000 0.425 207 E N 4.373 124.540 120.200 -0.056 0.000 2.238 207 E HA 0.591 4.941 4.350 -0.000 0.000 0.267 207 E C -1.375 175.228 176.600 0.005 0.000 0.887 207 E CA -0.818 55.572 56.400 -0.016 0.000 0.769 207 E CB 2.605 32.324 29.700 0.031 0.000 1.187 207 E HN 0.403 nan 8.360 nan 0.000 0.416 208 I N 3.065 123.643 120.570 0.013 0.000 2.355 208 I HA 0.181 4.351 4.170 -0.000 0.000 0.288 208 I C 0.047 176.195 176.117 0.052 0.000 0.999 208 I CA -0.672 60.652 61.300 0.039 0.000 1.163 208 I CB 0.763 38.782 38.000 0.032 0.000 1.316 208 I HN 0.597 nan 8.210 nan 0.000 0.454 209 N N 5.184 123.930 118.700 0.077 0.000 2.716 209 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 209 N C 1.215 176.753 175.510 0.046 0.000 1.033 209 N CA 1.331 54.425 53.050 0.072 0.000 0.727 209 N CB -0.742 37.790 38.487 0.076 0.000 0.950 209 N HN 1.122 nan 8.380 nan 0.000 0.541 210 G N -1.134 107.689 108.800 0.039 0.000 2.212 210 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.266 210 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.266 210 G C -0.062 174.840 174.900 0.004 0.000 0.978 210 G CA 0.658 45.773 45.100 0.025 0.000 0.632 210 G HN 0.669 nan 8.290 nan 0.000 0.537 211 Q N 0.914 120.716 119.800 0.003 0.000 2.294 211 Q HA 0.419 4.759 4.340 -0.000 0.000 0.257 211 Q C -0.475 175.511 176.000 -0.024 0.000 0.955 211 Q CA -0.648 55.148 55.803 -0.011 0.000 0.936 211 Q CB 0.569 29.304 28.738 -0.005 0.000 1.188 211 Q HN 0.233 nan 8.270 nan 0.000 0.420 212 D N 3.741 124.115 120.400 -0.043 0.000 2.434 212 D HA -0.087 4.553 4.640 -0.000 0.000 0.252 212 D C 0.790 177.080 176.300 -0.016 0.000 1.185 212 D CA 0.042 54.009 54.000 -0.056 0.000 0.886 212 D CB 0.825 41.579 40.800 -0.077 0.000 1.148 212 D HN 0.599 nan 8.370 nan 0.000 0.483 213 L N 3.906 125.136 121.223 0.010 0.000 2.187 213 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 213 L C 1.556 178.468 176.870 0.070 0.000 1.100 213 L CA 1.384 56.259 54.840 0.060 0.000 0.765 213 L CB -0.682 41.453 42.059 0.126 0.000 0.904 213 L HN 0.772 nan 8.230 nan 0.000 0.437 214 K N -1.759 118.684 120.400 0.072 0.000 3.291 214 K HA -0.222 4.098 4.320 -0.000 0.000 0.290 214 K C 0.044 176.641 176.600 -0.005 0.000 1.235 214 K CA 0.928 57.227 56.287 0.020 0.000 0.848 214 K CB -1.681 30.814 32.500 -0.008 0.000 1.295 214 K HN 0.336 nan 8.250 nan 0.000 0.497 215 M N 0.505 120.100 119.600 -0.008 0.000 2.368 215 M HA 0.195 4.674 4.480 -0.000 0.000 0.311 215 M C 0.276 176.452 176.300 -0.207 0.000 1.168 215 M CA -0.522 54.675 55.300 -0.172 0.000 1.044 215 M CB 0.696 33.066 32.600 -0.383 0.000 1.506 215 M HN 0.169 nan 8.290 nan 0.000 0.475 216 D N 0.764 121.038 120.400 -0.211 0.000 2.493 216 D HA -0.043 4.597 4.640 -0.000 0.000 0.240 216 D C 0.974 177.089 176.300 -0.309 0.000 1.142 216 D CA -0.092 53.797 54.000 -0.185 0.000 0.872 216 D CB 0.963 41.674 40.800 -0.149 0.000 1.173 216 D HN 0.863 nan 8.370 nan 0.000 0.467 217 c N 4.266 122.769 118.600 -0.161 0.000 2.437 217 c HA 0.029 4.598 4.570 -0.000 0.000 0.283 217 c C 2.004 176.047 174.090 -0.079 0.000 1.424 217 c CA -0.208 56.076 56.329 -0.074 0.000 1.782 217 c CB -0.454 42.137 42.510 0.134 0.000 1.833 217 c HN 0.558 nan 8.230 nan 0.000 0.532 218 K N 1.208 121.555 120.400 -0.089 0.000 2.147 218 K HA -0.108 4.211 4.320 -0.000 0.000 0.205 218 K C 1.977 178.557 176.600 -0.033 0.000 1.049 218 K CA 1.315 57.590 56.287 -0.020 0.000 0.936 218 K CB -0.334 32.145 32.500 -0.035 0.000 0.722 218 K HN 0.624 nan 8.250 nan 0.000 0.446 219 E N 0.367 120.444 120.200 -0.205 0.000 2.160 219 E HA -0.180 4.169 4.350 -0.000 0.000 0.195 219 E C 1.972 178.537 176.600 -0.059 0.000 0.991 219 E CA 1.274 57.561 56.400 -0.189 0.000 0.810 219 E CB -0.379 29.107 29.700 -0.358 0.000 0.742 219 E HN 0.562 nan 8.360 nan 0.000 0.466 220 Y N 0.588 120.924 120.300 0.060 0.000 2.509 220 Y HA -0.008 4.542 4.550 -0.000 0.000 0.293 220 Y C 1.316 177.251 175.900 0.059 0.000 1.133 220 Y CA 0.318 58.446 58.100 0.047 0.000 1.283 220 Y CB 0.187 38.655 38.460 0.013 0.000 1.001 220 Y HN -0.001 nan 8.280 nan 0.000 0.555 221 N N -1.145 117.684 118.700 0.215 0.000 2.365 221 N HA -0.005 4.734 4.740 -0.000 0.000 0.257 221 N C -1.254 174.371 175.510 0.193 0.000 1.287 221 N CA -0.099 53.056 53.050 0.175 0.000 0.882 221 N CB 0.281 38.873 38.487 0.175 0.000 1.250 221 N HN 0.166 nan 8.380 nan 0.000 0.507 222 Y N 2.898 123.211 120.300 0.022 0.000 2.404 222 Y HA 0.193 4.743 4.550 -0.000 0.000 0.344 222 Y C 0.475 176.301 175.900 -0.124 0.000 0.970 222 Y CA -1.317 56.758 58.100 -0.041 0.000 1.180 222 Y CB 0.525 38.987 38.460 0.004 0.000 1.138 222 Y HN 0.002 nan 8.280 nan 0.000 0.510 223 D N 3.415 123.454 120.400 -0.602 0.000 2.363 223 D HA 0.118 4.758 4.640 -0.000 0.000 0.214 223 D C -0.646 175.479 176.300 -0.292 0.000 1.093 223 D CA 0.002 53.581 54.000 -0.702 0.000 0.837 223 D CB 0.029 40.123 40.800 -1.176 0.000 0.948 223 D HN 0.579 nan 8.370 nan 0.000 0.507 224 K N -2.191 118.125 120.400 -0.139 0.000 2.625 224 K HA 0.599 4.919 4.320 -0.000 0.000 0.284 224 K C -1.509 175.064 176.600 -0.046 0.000 0.984 224 K CA -0.844 55.432 56.287 -0.019 0.000 0.865 224 K CB 1.183 33.650 32.500 -0.055 0.000 1.468 224 K HN -0.184 nan 8.250 nan 0.000 0.407 225 S N 1.326 117.028 115.700 0.003 0.000 2.519 225 S HA 0.663 5.133 4.470 -0.000 0.000 0.309 225 S C -0.487 174.103 174.600 -0.017 0.000 1.100 225 S CA -0.871 57.324 58.200 -0.009 0.000 1.059 225 S CB 0.492 63.713 63.200 0.035 0.000 1.008 225 S HN 0.593 nan 8.310 nan 0.000 0.478 226 I N -0.554 119.990 120.570 -0.043 0.000 2.828 226 I HA 0.762 4.931 4.170 -0.000 0.000 0.302 226 I C -1.249 174.925 176.117 0.095 0.000 1.101 226 I CA -1.298 60.007 61.300 0.009 0.000 1.031 226 I CB 1.888 39.811 38.000 -0.127 0.000 1.231 226 I HN 0.260 nan 8.210 nan 0.000 0.427 227 V N 3.261 123.298 119.914 0.204 0.000 2.348 227 V HA 0.381 4.501 4.120 -0.000 0.000 0.270 227 V C -0.714 175.554 176.094 0.290 0.000 1.037 227 V CA 0.037 62.483 62.300 0.244 0.000 0.872 227 V CB 0.653 32.622 31.823 0.244 0.000 1.002 227 V HN 0.725 nan 8.190 nan 0.000 0.464 228 D N 3.139 123.658 120.400 0.199 0.000 2.389 228 D HA 0.209 4.848 4.640 -0.000 0.000 0.256 228 D C 1.186 177.551 176.300 0.108 0.000 1.239 228 D CA 0.013 54.106 54.000 0.154 0.000 0.925 228 D CB 1.891 42.755 40.800 0.106 0.000 1.145 228 D HN 0.508 nan 8.370 nan 0.000 0.542 229 S N 1.295 117.043 115.700 0.080 0.000 2.419 229 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 229 S C 1.870 176.488 174.600 0.030 0.000 1.016 229 S CA 0.951 59.174 58.200 0.038 0.000 0.974 229 S CB -0.110 63.066 63.200 -0.039 0.000 0.786 229 S HN 0.391 nan 8.310 nan 0.000 0.492 230 G N 0.481 109.280 108.800 -0.002 0.000 2.848 230 G HA2 0.263 4.223 3.960 -0.000 0.000 0.208 230 G HA3 0.263 4.223 3.960 -0.000 0.000 0.208 230 G C 0.140 175.023 174.900 -0.029 0.000 1.152 230 G CA 0.219 45.289 45.100 -0.051 0.000 0.789 230 G HN 0.501 nan 8.290 nan 0.000 0.531 231 T N -0.130 114.434 114.554 0.017 0.000 2.823 231 T HA 0.380 4.730 4.350 -0.000 0.000 0.279 231 T C 1.240 175.965 174.700 0.041 0.000 0.998 231 T CA -0.403 61.709 62.100 0.019 0.000 0.994 231 T CB 2.014 70.895 68.868 0.022 0.000 0.960 231 T HN -0.038 nan 8.240 nan 0.000 0.448 232 T N 2.960 117.531 114.554 0.029 0.000 2.732 232 T HA 0.003 4.353 4.350 -0.000 0.000 0.261 232 T C 1.051 175.774 174.700 0.039 0.000 1.040 232 T CA 0.879 63.003 62.100 0.040 0.000 1.145 232 T CB -0.082 68.798 68.868 0.020 0.000 0.866 232 T HN 0.407 nan 8.240 nan 0.000 0.427 233 N N 1.261 119.968 118.700 0.011 0.000 2.463 233 N HA 0.345 5.085 4.740 -0.000 0.000 0.270 233 N C -0.751 174.763 175.510 0.007 0.000 1.205 233 N CA -0.744 52.300 53.050 -0.009 0.000 0.974 233 N CB 0.313 38.770 38.487 -0.050 0.000 1.197 233 N HN 0.072 nan 8.380 nan 0.000 0.504 234 L N 1.527 122.749 121.223 -0.002 0.000 2.342 234 L HA 0.232 4.571 4.340 -0.000 0.000 0.285 234 L C -0.170 176.697 176.870 -0.005 0.000 1.095 234 L CA 0.075 54.922 54.840 0.011 0.000 0.843 234 L CB -0.500 41.570 42.059 0.018 0.000 1.201 234 L HN 0.332 nan 8.230 nan 0.000 0.445 235 R N 5.892 126.389 120.500 -0.004 0.000 2.312 235 R HA 0.683 5.023 4.340 -0.000 0.000 0.311 235 R C -1.100 175.208 176.300 0.012 0.000 1.004 235 R CA -0.681 55.406 56.100 -0.021 0.000 0.902 235 R CB 1.169 31.440 30.300 -0.049 0.000 1.073 235 R HN 0.593 nan 8.270 nan 0.000 0.457 236 L N 3.561 124.811 121.223 0.045 0.000 2.370 236 L HA 0.513 4.853 4.340 -0.000 0.000 0.266 236 L C -2.337 174.586 176.870 0.088 0.000 1.002 236 L CA -2.813 52.091 54.840 0.106 0.000 0.818 236 L CB 2.309 44.497 42.059 0.215 0.000 1.325 236 L HN 0.296 nan 8.230 nan 0.000 0.418 237 P HA -0.005 nan 4.420 nan 0.000 0.268 237 P C 0.168 177.555 177.300 0.144 0.000 1.208 237 P CA -0.122 63.033 63.100 0.091 0.000 0.777 237 P CB 0.726 32.505 31.700 0.132 0.000 0.875 238 K N 2.990 123.458 120.400 0.113 0.000 2.034 238 K HA -0.266 4.054 4.320 -0.000 0.000 0.214 238 K C 1.835 178.558 176.600 0.204 0.000 1.051 238 K CA 2.027 58.404 56.287 0.150 0.000 0.931 238 K CB -0.198 32.362 32.500 0.100 0.000 0.715 238 K HN 0.222 nan 8.250 nan 0.000 0.446 239 K N -0.104 120.383 120.400 0.145 0.000 2.097 239 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 239 K C 1.835 178.501 176.600 0.109 0.000 1.049 239 K CA 1.385 57.734 56.287 0.104 0.000 0.933 239 K CB 0.126 32.657 32.500 0.053 0.000 0.717 239 K HN 0.038 nan 8.250 nan 0.000 0.442 240 V N 0.904 120.904 119.914 0.142 0.000 2.358 240 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 240 V C 1.966 178.166 176.094 0.177 0.000 1.047 240 V CA 1.679 64.081 62.300 0.169 0.000 1.035 240 V CB -0.603 31.360 31.823 0.233 0.000 0.658 240 V HN 0.327 nan 8.190 nan 0.000 0.452 241 F N 1.550 121.545 119.950 0.074 0.000 2.134 241 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 241 F C 2.336 178.180 175.800 0.073 0.000 1.097 241 F CA 2.109 60.154 58.000 0.075 0.000 1.264 241 F CB -0.205 38.837 39.000 0.070 0.000 1.001 241 F HN 0.200 nan 8.300 nan 0.000 0.479 242 E N 0.033 120.252 120.200 0.031 0.000 2.150 242 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 242 E C 2.268 178.786 176.600 -0.138 0.000 0.985 242 E CA 0.840 57.186 56.400 -0.091 0.000 0.814 242 E CB -0.299 29.442 29.700 0.068 0.000 0.752 242 E HN 0.525 nan 8.360 nan 0.000 0.466 243 A N 1.158 123.936 122.820 -0.070 0.000 1.935 243 A HA 0.113 4.432 4.320 -0.000 0.000 0.214 243 A C 2.312 179.844 177.584 -0.087 0.000 1.178 243 A CA 1.091 53.091 52.037 -0.062 0.000 0.640 243 A CB -0.299 18.697 19.000 -0.007 0.000 0.825 243 A HN 0.262 nan 8.150 nan 0.000 0.447 244 A N -0.304 122.461 122.820 -0.090 0.000 1.877 244 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 244 A C 2.187 179.679 177.584 -0.153 0.000 1.186 244 A CA 1.791 53.776 52.037 -0.087 0.000 0.620 244 A CB -1.000 17.971 19.000 -0.047 0.000 0.822 244 A HN 0.360 nan 8.150 nan 0.000 0.443 245 V N 0.342 120.078 119.914 -0.298 0.000 2.332 245 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 245 V C 2.563 178.403 176.094 -0.425 0.000 1.055 245 V CA 2.484 64.553 62.300 -0.385 0.000 1.038 245 V CB -0.674 30.807 31.823 -0.571 0.000 0.651 245 V HN 0.730 nan 8.190 nan 0.000 0.450 246 K N -0.116 120.097 120.400 -0.311 0.000 2.026 246 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 246 K C 2.468 178.949 176.600 -0.198 0.000 1.048 246 K CA 1.881 58.017 56.287 -0.252 0.000 0.929 246 K CB -0.369 32.032 32.500 -0.165 0.000 0.713 246 K HN 0.374 nan 8.250 nan 0.000 0.439 247 S N 0.103 115.719 115.700 -0.140 0.000 2.383 247 S HA -0.049 4.420 4.470 -0.000 0.000 0.227 247 S C 1.855 176.420 174.600 -0.058 0.000 1.026 247 S CA 1.095 59.247 58.200 -0.080 0.000 0.981 247 S CB -0.223 62.950 63.200 -0.045 0.000 0.818 247 S HN 0.357 nan 8.310 nan 0.000 0.472 248 I N 0.958 121.489 120.570 -0.065 0.000 2.286 248 I HA -0.112 4.057 4.170 -0.000 0.000 0.245 248 I C 2.554 178.664 176.117 -0.012 0.000 1.104 248 I CA 0.997 62.324 61.300 0.045 0.000 1.397 248 I CB -0.235 37.858 38.000 0.154 0.000 1.072 248 I HN 0.210 nan 8.210 nan 0.000 0.417 249 K N 0.923 121.120 120.400 -0.338 0.000 2.074 249 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 249 K C 2.261 178.782 176.600 -0.131 0.000 1.048 249 K CA 1.723 57.771 56.287 -0.399 0.000 0.926 249 K CB -0.280 31.844 32.500 -0.626 0.000 0.713 249 K HN 0.338 nan 8.250 nan 0.000 0.444 250 A N 1.167 123.915 122.820 -0.121 0.000 1.898 250 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 250 A C 2.316 179.878 177.584 -0.037 0.000 1.181 250 A CA 1.797 53.790 52.037 -0.074 0.000 0.620 250 A CB -0.630 18.328 19.000 -0.069 0.000 0.819 250 A HN 0.353 nan 8.150 nan 0.000 0.442 251 A N 0.097 122.912 122.820 -0.008 0.000 1.969 251 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 251 A C 2.193 179.772 177.584 -0.009 0.000 1.169 251 A CA 1.938 53.985 52.037 0.016 0.000 0.635 251 A CB -0.652 18.389 19.000 0.068 0.000 0.810 251 A HN 1.019 nan 8.150 nan 0.000 0.445 252 S N -0.116 115.576 115.700 -0.013 0.000 2.597 252 S HA 0.064 4.534 4.470 -0.000 0.000 0.224 252 S C 1.405 175.943 174.600 -0.104 0.000 0.955 252 S CA 0.639 58.761 58.200 -0.130 0.000 0.933 252 S CB -0.473 62.618 63.200 -0.183 0.000 0.788 252 S HN 0.751 nan 8.310 nan 0.000 0.488 253 S N 1.807 117.463 115.700 -0.073 0.000 2.507 253 S HA -0.143 4.327 4.470 -0.000 0.000 0.235 253 S C 1.871 176.402 174.600 -0.116 0.000 0.988 253 S CA 1.148 59.296 58.200 -0.087 0.000 0.944 253 S CB -1.416 61.743 63.200 -0.068 0.000 0.762 253 S HN 0.769 nan 8.310 nan 0.000 0.526 254 T N -0.885 113.600 114.554 -0.115 0.000 3.007 254 T HA 0.069 4.418 4.350 -0.000 0.000 0.270 254 T C 0.390 175.005 174.700 -0.142 0.000 1.107 254 T CA 0.568 62.604 62.100 -0.106 0.000 1.118 254 T CB -0.409 68.411 68.868 -0.081 0.000 0.889 254 T HN 0.614 nan 8.240 nan 0.000 0.506 255 E N 0.669 120.730 120.200 -0.232 0.000 2.248 255 E HA 0.458 4.808 4.350 -0.000 0.000 0.267 255 E C -0.930 175.242 176.600 -0.713 0.000 0.877 255 E CA -1.132 55.030 56.400 -0.397 0.000 0.759 255 E CB 1.504 31.007 29.700 -0.329 0.000 1.182 255 E HN 0.041 nan 8.360 nan 0.000 0.418 256 K N 2.256 122.279 120.400 -0.628 0.000 2.138 256 K HA 0.538 4.858 4.320 -0.000 0.000 0.263 256 K C -0.686 175.475 176.600 -0.731 0.000 0.965 256 K CA -0.379 55.590 56.287 -0.529 0.000 0.868 256 K CB 0.881 33.260 32.500 -0.202 0.000 1.083 256 K HN 0.375 nan 8.250 nan 0.000 0.443 257 F N 1.055 121.026 119.950 0.035 0.000 2.579 257 F HA 0.412 4.939 4.527 -0.000 0.000 0.324 257 F C -1.755 174.056 175.800 0.018 0.000 1.058 257 F CA -2.350 55.556 58.000 -0.157 0.000 0.944 257 F CB 1.046 39.658 39.000 -0.648 0.000 1.245 257 F HN 0.296 nan 8.300 nan 0.000 0.477 258 P HA 0.085 nan 4.420 nan 0.000 0.269 258 P C -0.186 177.299 177.300 0.309 0.000 1.217 258 P CA 0.014 63.226 63.100 0.186 0.000 0.783 258 P CB 0.672 32.447 31.700 0.125 0.000 0.898 259 D N 1.087 121.659 120.400 0.286 0.000 2.149 259 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 259 D C 2.144 178.646 176.300 0.337 0.000 0.990 259 D CA 1.881 56.090 54.000 0.349 0.000 0.839 259 D CB -0.945 39.989 40.800 0.223 0.000 0.948 259 D HN 0.566 nan 8.370 nan 0.000 0.460 260 G N -0.082 108.860 108.800 0.236 0.000 2.448 260 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 260 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 260 G C 1.388 176.401 174.900 0.189 0.000 1.127 260 G CA 0.308 45.523 45.100 0.191 0.000 0.766 260 G HN 0.292 nan 8.290 nan 0.000 0.552 261 F N 0.438 120.396 119.950 0.013 0.000 2.134 261 F HA -0.064 4.462 4.527 -0.000 0.000 0.299 261 F C 2.095 177.836 175.800 -0.099 0.000 1.097 261 F CA 1.303 59.217 58.000 -0.144 0.000 1.264 261 F CB -0.240 38.522 39.000 -0.396 0.000 1.001 261 F HN 0.225 nan 8.300 nan 0.000 0.479 262 W N 0.370 121.681 121.300 0.018 0.000 2.800 262 W HA 0.089 4.749 4.660 -0.000 0.000 0.249 262 W C 1.638 178.291 176.519 0.224 0.000 1.294 262 W CA 0.238 57.527 57.345 -0.093 0.000 1.402 262 W CB -0.340 29.127 29.460 0.012 0.000 1.126 262 W HN -0.009 nan 8.180 nan 0.000 0.652 263 L N 0.219 121.655 121.223 0.355 0.000 2.592 263 L HA 0.303 4.643 4.340 -0.000 0.000 0.227 263 L C 1.905 178.889 176.870 0.190 0.000 1.127 263 L CA 0.662 55.681 54.840 0.299 0.000 0.884 263 L CB -0.702 41.488 42.059 0.218 0.000 1.065 263 L HN 0.237 nan 8.230 nan 0.000 0.457 264 G N 0.355 109.240 108.800 0.142 0.000 2.162 264 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 264 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 264 G C 0.681 175.609 174.900 0.048 0.000 0.976 264 G CA 0.463 45.599 45.100 0.060 0.000 0.655 264 G HN 0.503 nan 8.290 nan 0.000 0.533 265 E N -0.650 119.592 120.200 0.069 0.000 2.474 265 E HA 0.181 4.531 4.350 -0.000 0.000 0.194 265 E C 0.868 177.508 176.600 0.066 0.000 1.041 265 E CA 0.462 56.902 56.400 0.066 0.000 0.874 265 E CB 0.354 30.102 29.700 0.080 0.000 0.914 265 E HN 0.600 nan 8.360 nan 0.000 0.498 266 Q N 0.623 120.471 119.800 0.080 0.000 2.309 266 Q HA 0.318 4.658 4.340 -0.000 0.000 0.273 266 Q C -1.513 174.562 176.000 0.126 0.000 1.040 266 Q CA -0.438 55.421 55.803 0.093 0.000 0.834 266 Q CB 1.563 30.369 28.738 0.112 0.000 1.345 266 Q HN 0.034 nan 8.270 nan 0.000 0.414 267 L N 2.798 124.064 121.223 0.072 0.000 2.397 267 L HA 0.467 4.807 4.340 -0.000 0.000 0.271 267 L C -0.392 176.473 176.870 -0.007 0.000 1.148 267 L CA -0.587 54.286 54.840 0.057 0.000 0.825 267 L CB 1.136 43.192 42.059 -0.005 0.000 1.117 267 L HN 0.418 nan 8.230 nan 0.000 0.456 268 V N 1.673 121.548 119.914 -0.066 0.000 2.667 268 V HA 0.484 4.604 4.120 -0.000 0.000 0.308 268 V C -0.354 175.493 176.094 -0.411 0.000 1.048 268 V CA -0.393 61.667 62.300 -0.399 0.000 0.928 268 V CB 1.990 33.298 31.823 -0.857 0.000 1.004 268 V HN 0.888 nan 8.190 nan 0.000 0.444 269 c N 3.097 121.319 118.600 -0.631 0.000 2.888 269 c HA 0.692 5.262 4.570 -0.000 0.000 0.308 269 c C -1.166 172.571 174.090 -0.589 0.000 1.213 269 c CA -1.129 54.957 56.329 -0.405 0.000 1.461 269 c CB 1.769 44.153 42.510 -0.211 0.000 1.934 269 c HN 0.877 nan 8.230 nan 0.000 0.474 270 W N 0.827 122.145 121.300 0.030 0.000 3.033 270 W HA 0.384 5.044 4.660 -0.000 0.000 0.336 270 W C -0.433 176.091 176.519 0.008 0.000 1.173 270 W CA -0.515 56.839 57.345 0.015 0.000 1.185 270 W CB 1.067 30.526 29.460 -0.002 0.000 1.425 270 W HN 0.676 nan 8.180 nan 0.000 0.536 271 Q N 1.137 121.076 119.800 0.231 0.000 2.326 271 Q HA 0.141 4.481 4.340 -0.000 0.000 0.314 271 Q C 0.508 176.592 176.000 0.141 0.000 1.091 271 Q CA 0.433 56.318 55.803 0.138 0.000 0.974 271 Q CB 0.632 29.434 28.738 0.107 0.000 1.220 271 Q HN 0.427 nan 8.270 nan 0.000 0.398 272 A N 1.879 124.757 122.820 0.096 0.000 2.567 272 A HA 0.310 4.630 4.320 -0.000 0.000 0.240 272 A C 1.273 178.909 177.584 0.087 0.000 1.053 272 A CA 0.747 52.839 52.037 0.090 0.000 0.755 272 A CB -0.462 18.574 19.000 0.060 0.000 0.978 272 A HN 1.066 nan 8.150 nan 0.000 0.507 273 G N 1.482 110.342 108.800 0.100 0.000 2.179 273 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 273 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 273 G C 0.794 175.723 174.900 0.049 0.000 0.977 273 G CA 1.362 46.514 45.100 0.087 0.000 0.641 273 G HN 2.172 nan 8.290 nan 0.000 0.533 274 T N -1.845 112.722 114.554 0.021 0.000 3.085 274 T HA 0.416 4.766 4.350 -0.000 0.000 0.264 274 T C 0.809 175.330 174.700 -0.298 0.000 1.019 274 T CA 0.889 62.957 62.100 -0.053 0.000 0.910 274 T CB 0.370 69.258 68.868 0.034 0.000 1.059 274 T HN 0.359 nan 8.240 nan 0.000 0.542 275 T N 6.078 120.365 114.554 -0.445 0.000 2.831 275 T HA 0.171 4.521 4.350 -0.000 0.000 0.291 275 T C -2.164 171.836 174.700 -1.167 0.000 0.981 275 T CA -0.555 60.846 62.100 -1.165 0.000 1.174 275 T CB 0.672 68.696 68.868 -1.406 0.000 0.929 275 T HN 0.250 nan 8.240 nan 0.000 0.532 276 P HA 0.116 nan 4.420 nan 0.000 0.220 276 P C 0.252 177.388 177.300 -0.273 0.000 1.806 276 P CA -0.387 62.393 63.100 -0.533 0.000 0.976 276 P CB -0.285 31.176 31.700 -0.399 0.000 1.952 277 W N 2.305 123.520 121.300 -0.142 0.000 2.305 277 W HA -0.289 4.371 4.660 -0.000 0.000 0.308 277 W C 2.090 178.668 176.519 0.098 0.000 1.226 277 W CA 1.606 58.926 57.345 -0.042 0.000 1.253 277 W CB -1.536 27.878 29.460 -0.077 0.000 1.146 277 W HN 0.302 nan 8.180 nan 0.000 0.507 278 N N 1.525 120.392 118.700 0.278 0.000 2.443 278 N HA -0.192 4.547 4.740 -0.000 0.000 0.184 278 N C 1.415 177.003 175.510 0.129 0.000 1.037 278 N CA 1.854 55.015 53.050 0.185 0.000 0.896 278 N CB -1.051 37.498 38.487 0.103 0.000 0.959 278 N HN 0.450 nan 8.380 nan 0.000 0.442 279 I N -3.996 116.628 120.570 0.089 0.000 3.059 279 I HA 0.222 4.391 4.170 -0.000 0.000 0.270 279 I C -0.370 175.724 176.117 -0.038 0.000 1.238 279 I CA -0.065 61.219 61.300 -0.026 0.000 1.478 279 I CB -0.177 37.739 38.000 -0.140 0.000 1.097 279 I HN -0.162 nan 8.210 nan 0.000 0.455 280 F N 3.860 123.909 119.950 0.166 0.000 2.394 280 F HA 0.502 5.029 4.527 -0.000 0.000 0.340 280 F C -1.868 174.097 175.800 0.275 0.000 1.105 280 F CA -2.572 55.587 58.000 0.266 0.000 1.124 280 F CB 0.387 39.552 39.000 0.274 0.000 1.145 280 F HN -0.111 nan 8.300 nan 0.000 0.505 281 P HA 0.077 nan 4.420 nan 0.000 0.274 281 P C -0.512 177.042 177.300 0.423 0.000 1.246 281 P CA -0.161 63.154 63.100 0.358 0.000 0.795 281 P CB 1.400 33.262 31.700 0.271 0.000 1.006 282 V N 2.354 122.437 119.914 0.282 0.000 2.785 282 V HA 0.250 4.370 4.120 -0.000 0.000 0.300 282 V C 0.492 176.713 176.094 0.212 0.000 1.062 282 V CA -0.450 62.002 62.300 0.253 0.000 1.029 282 V CB 0.575 32.494 31.823 0.159 0.000 1.024 282 V HN 0.319 nan 8.190 nan 0.000 0.477 283 I N 3.724 124.414 120.570 0.199 0.000 2.418 283 I HA 0.379 4.549 4.170 -0.000 0.000 0.287 283 I C -0.330 175.822 176.117 0.059 0.000 1.008 283 I CA -0.069 61.294 61.300 0.105 0.000 1.104 283 I CB 1.947 39.990 38.000 0.073 0.000 1.264 283 I HN 0.461 nan 8.210 nan 0.000 0.438 284 S N 7.166 122.871 115.700 0.008 0.000 2.454 284 S HA 0.638 5.108 4.470 -0.000 0.000 0.306 284 S C -0.442 174.101 174.600 -0.095 0.000 1.100 284 S CA -0.609 57.554 58.200 -0.061 0.000 1.087 284 S CB 1.347 64.506 63.200 -0.068 0.000 1.019 284 S HN 0.365 nan 8.310 nan 0.000 0.480 285 L N 3.760 124.866 121.223 -0.194 0.000 2.319 285 L HA 0.466 4.806 4.340 -0.000 0.000 0.281 285 L C -1.308 175.350 176.870 -0.352 0.000 1.005 285 L CA -0.774 53.923 54.840 -0.237 0.000 0.828 285 L CB 0.729 42.632 42.059 -0.260 0.000 1.227 285 L HN 0.618 nan 8.230 nan 0.000 0.415 286 Y N 4.137 124.181 120.300 -0.427 0.000 2.336 286 Y HA 0.459 5.009 4.550 -0.000 0.000 0.335 286 Y C 0.097 175.699 175.900 -0.497 0.000 1.046 286 Y CA -0.244 57.574 58.100 -0.469 0.000 1.198 286 Y CB 0.939 39.164 38.460 -0.392 0.000 1.182 286 Y HN 0.359 nan 8.280 nan 0.000 0.502 287 L N 4.496 125.351 121.223 -0.613 0.000 2.365 287 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 287 L C 0.026 176.609 176.870 -0.479 0.000 1.000 287 L CA -1.063 53.411 54.840 -0.609 0.000 0.819 287 L CB 1.828 43.346 42.059 -0.902 0.000 1.284 287 L HN 0.638 nan 8.230 nan 0.000 0.418 288 M N 1.734 121.227 119.600 -0.178 0.000 2.219 288 M HA 0.082 4.562 4.480 -0.000 0.000 0.340 288 M C 0.487 176.847 176.300 0.100 0.000 1.135 288 M CA 0.748 56.040 55.300 -0.014 0.000 0.976 288 M CB 0.465 33.089 32.600 0.040 0.000 1.713 288 M HN 0.749 nan 8.290 nan 0.000 0.457 289 G N 2.947 111.870 108.800 0.204 0.000 2.613 289 G HA2 0.291 4.251 3.960 -0.000 0.000 0.303 289 G HA3 0.291 4.251 3.960 -0.000 0.000 0.303 289 G C 0.109 175.169 174.900 0.268 0.000 1.312 289 G CA -0.460 44.863 45.100 0.371 0.000 1.036 289 G HN 0.823 nan 8.290 nan 0.000 0.513 290 E N -1.138 119.223 120.200 0.268 0.000 2.158 290 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 290 E C 1.027 177.705 176.600 0.130 0.000 0.982 290 E CA 0.374 56.875 56.400 0.168 0.000 0.823 290 E CB 0.049 29.828 29.700 0.131 0.000 0.766 290 E HN 0.120 nan 8.360 nan 0.000 0.468 291 V N 2.466 122.472 119.914 0.153 0.000 2.686 291 V HA 0.053 4.173 4.120 -0.000 0.000 0.295 291 V C 0.433 176.593 176.094 0.111 0.000 1.057 291 V CA -0.305 62.066 62.300 0.119 0.000 1.012 291 V CB 1.431 33.332 31.823 0.131 0.000 1.006 291 V HN 0.085 nan 8.190 nan 0.000 0.477 292 T N 4.639 119.242 114.554 0.083 0.000 2.888 292 T HA 0.093 4.443 4.350 -0.000 0.000 0.301 292 T C 0.778 175.523 174.700 0.075 0.000 1.001 292 T CA -0.005 62.137 62.100 0.071 0.000 1.147 292 T CB -0.181 68.719 68.868 0.052 0.000 0.931 292 T HN 0.805 nan 8.240 nan 0.000 0.541 293 N N 1.095 119.839 118.700 0.073 0.000 2.741 293 N HA -0.164 4.576 4.740 -0.000 0.000 0.251 293 N C -0.245 175.322 175.510 0.094 0.000 1.112 293 N CA 0.897 53.990 53.050 0.071 0.000 0.750 293 N CB -0.837 37.684 38.487 0.057 0.000 1.119 293 N HN 0.750 nan 8.380 nan 0.000 0.561 294 Q N -0.305 119.567 119.800 0.120 0.000 2.348 294 Q HA 0.684 5.024 4.340 -0.000 0.000 0.271 294 Q C -0.243 175.865 176.000 0.180 0.000 1.067 294 Q CA -0.551 55.347 55.803 0.158 0.000 0.839 294 Q CB 2.113 30.964 28.738 0.188 0.000 1.354 294 Q HN 0.348 nan 8.270 nan 0.000 0.447 295 S N 0.535 116.357 115.700 0.204 0.000 2.638 295 S HA 0.812 5.282 4.470 -0.000 0.000 0.274 295 S C -1.134 173.581 174.600 0.193 0.000 1.157 295 S CA -0.838 57.460 58.200 0.163 0.000 0.826 295 S CB 1.084 64.332 63.200 0.081 0.000 1.139 295 S HN 0.548 nan 8.310 nan 0.000 0.474 296 F N -0.824 119.074 119.950 -0.087 0.000 2.620 296 F HA 0.933 5.459 4.527 -0.000 0.000 0.320 296 F C -0.557 175.006 175.800 -0.395 0.000 1.069 296 F CA -1.317 56.478 58.000 -0.342 0.000 0.953 296 F CB 1.444 39.974 39.000 -0.785 0.000 1.322 296 F HN 0.923 nan 8.300 nan 0.000 0.479 297 R N 2.580 122.801 120.500 -0.466 0.000 2.686 297 R HA 0.794 5.134 4.340 -0.000 0.000 0.286 297 R C -1.287 174.750 176.300 -0.439 0.000 0.969 297 R CA -0.907 54.726 56.100 -0.779 0.000 0.898 297 R CB 2.204 31.606 30.300 -1.496 0.000 1.183 297 R HN 0.990 nan 8.270 nan 0.000 0.456 298 I N -0.489 119.801 120.570 -0.467 0.000 2.525 298 I HA 0.609 4.779 4.170 -0.000 0.000 0.301 298 I C -1.144 174.927 176.117 -0.078 0.000 0.992 298 I CA -0.684 60.424 61.300 -0.320 0.000 1.162 298 I CB 2.513 40.030 38.000 -0.805 0.000 1.332 298 I HN 0.615 nan 8.210 nan 0.000 0.458 299 T N 7.305 121.973 114.554 0.189 0.000 2.881 299 T HA 0.545 4.895 4.350 -0.000 0.000 0.291 299 T C -0.169 174.641 174.700 0.183 0.000 0.990 299 T CA -0.446 61.735 62.100 0.136 0.000 0.976 299 T CB 1.454 70.353 68.868 0.053 0.000 0.970 299 T HN 0.661 nan 8.240 nan 0.000 0.438 300 I N 0.996 121.665 120.570 0.164 0.000 2.863 300 I HA 0.749 4.919 4.170 -0.000 0.000 0.311 300 I C -1.027 175.175 176.117 0.141 0.000 1.026 300 I CA -1.325 60.032 61.300 0.094 0.000 1.077 300 I CB 1.314 39.401 38.000 0.146 0.000 1.262 300 I HN 0.436 nan 8.210 nan 0.000 0.461 301 L N 2.533 123.792 121.223 0.061 0.000 2.331 301 L HA 0.519 4.859 4.340 -0.000 0.000 0.268 301 L C -1.558 175.202 176.870 -0.184 0.000 1.015 301 L CA -1.756 53.097 54.840 0.022 0.000 0.807 301 L CB 1.304 43.333 42.059 -0.049 0.000 1.293 301 L HN 0.424 nan 8.230 nan 0.000 0.451 302 P HA -0.179 nan 4.420 nan 0.000 0.219 302 P C 0.956 177.959 177.300 -0.496 0.000 1.146 302 P CA 1.174 63.744 63.100 -0.882 0.000 0.808 302 P CB 0.250 31.787 31.700 -0.272 0.000 0.779 303 Q N -0.553 118.976 119.800 -0.453 0.000 2.234 303 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 303 Q C 2.237 178.108 176.000 -0.215 0.000 0.980 303 Q CA 1.562 57.041 55.803 -0.541 0.000 0.869 303 Q CB -0.500 27.799 28.738 -0.732 0.000 0.912 303 Q HN 0.310 nan 8.270 nan 0.000 0.436 304 Q N -1.639 118.065 119.800 -0.161 0.000 2.165 304 Q HA -0.045 4.295 4.340 -0.000 0.000 0.197 304 Q C 1.257 177.292 176.000 0.060 0.000 0.952 304 Q CA 1.051 56.842 55.803 -0.021 0.000 0.848 304 Q CB 0.012 28.762 28.738 0.020 0.000 0.931 304 Q HN 0.696 nan 8.270 nan 0.000 0.470 305 Y N -1.662 118.674 120.300 0.059 0.000 2.466 305 Y HA 0.410 4.959 4.550 -0.000 0.000 0.272 305 Y C -0.173 175.767 175.900 0.066 0.000 1.169 305 Y CA -0.307 57.819 58.100 0.042 0.000 1.285 305 Y CB -0.028 38.466 38.460 0.058 0.000 1.078 305 Y HN -0.172 nan 8.280 nan 0.000 0.523 306 L N 3.034 124.260 121.223 0.004 0.000 2.321 306 L HA 0.425 4.765 4.340 -0.000 0.000 0.272 306 L C 0.022 177.038 176.870 0.243 0.000 1.050 306 L CA -0.417 54.488 54.840 0.109 0.000 0.893 306 L CB 0.727 42.712 42.059 -0.124 0.000 1.272 306 L HN 0.060 nan 8.230 nan 0.000 0.435 307 R N 4.374 125.009 120.500 0.224 0.000 2.401 307 R HA 0.214 4.554 4.340 -0.000 0.000 0.299 307 R C -2.186 174.271 176.300 0.262 0.000 1.064 307 R CA -1.429 54.793 56.100 0.204 0.000 1.000 307 R CB 0.778 31.144 30.300 0.110 0.000 0.973 307 R HN 0.245 nan 8.270 nan 0.000 0.438 308 P HA 0.064 nan 4.420 nan 0.000 0.275 308 P C -0.888 176.381 177.300 -0.052 0.000 1.227 308 P CA -0.136 62.982 63.100 0.029 0.000 0.781 308 P CB 1.157 32.887 31.700 0.050 0.000 0.906 309 V N 3.074 122.897 119.914 -0.151 0.000 2.525 309 V HA 0.179 4.299 4.120 -0.000 0.000 0.299 309 V C 0.423 176.445 176.094 -0.120 0.000 1.034 309 V CA -0.744 61.499 62.300 -0.095 0.000 0.863 309 V CB 1.626 33.413 31.823 -0.060 0.000 0.999 309 V HN 0.485 nan 8.190 nan 0.000 0.423 310 E N 2.714 122.865 120.200 -0.081 0.000 2.415 310 E HA 0.156 4.506 4.350 -0.000 0.000 0.263 310 E C -0.993 175.570 176.600 -0.061 0.000 0.995 310 E CA 0.314 56.672 56.400 -0.069 0.000 0.915 310 E CB 1.191 30.862 29.700 -0.047 0.000 0.951 310 E HN 0.633 nan 8.360 nan 0.000 0.449 311 D N 1.319 121.683 120.400 -0.061 0.000 2.421 311 D HA 0.054 4.694 4.640 -0.000 0.000 0.254 311 D C 0.792 177.070 176.300 -0.037 0.000 1.238 311 D CA -0.209 53.762 54.000 -0.048 0.000 0.919 311 D CB 0.944 41.711 40.800 -0.054 0.000 1.152 311 D HN 0.234 nan 8.370 nan 0.000 0.552 312 V N 1.462 121.358 119.914 -0.030 0.000 1.626 312 V HA -0.415 3.705 4.120 -0.000 0.000 0.029 312 V C 1.146 177.228 176.094 -0.021 0.000 0.458 312 V CA 2.421 64.707 62.300 -0.024 0.000 1.494 312 V CB -1.812 29.998 31.823 -0.022 0.000 1.773 312 V HN 0.534 nan 8.190 nan 0.000 0.737 313 A N -1.344 121.462 122.820 -0.024 0.000 1.944 313 A HA 0.601 4.920 4.320 -0.000 0.000 0.209 313 A C 1.119 178.692 177.584 -0.017 0.000 1.328 313 A CA 1.458 53.483 52.037 -0.020 0.000 0.693 313 A CB 0.413 19.399 19.000 -0.023 0.000 0.994 313 A HN 1.059 nan 8.150 nan 0.000 0.485 314 T N -1.704 112.838 114.554 -0.019 0.000 2.733 314 T HA 0.430 4.780 4.350 -0.000 0.000 0.312 314 T C 0.113 174.803 174.700 -0.016 0.000 1.590 314 T CA -0.147 61.944 62.100 -0.015 0.000 1.005 314 T CB 1.004 69.866 68.868 -0.010 0.000 1.528 314 T HN 0.714 nan 8.240 nan 0.000 0.496 315 S N 0.539 116.232 115.700 -0.011 0.000 2.536 315 S HA 0.235 4.705 4.470 -0.000 0.000 0.248 315 S C 1.106 175.705 174.600 -0.002 0.000 1.287 315 S CA 1.099 59.295 58.200 -0.008 0.000 0.978 315 S CB -0.128 63.071 63.200 -0.002 0.000 0.992 315 S HN 1.080 nan 8.310 nan 0.000 0.539 316 Q N -1.378 118.427 119.800 0.009 0.000 2.411 316 Q HA -0.231 4.109 4.340 -0.000 0.000 0.149 316 Q C -1.392 174.624 176.000 0.026 0.000 0.722 316 Q CA 1.811 57.624 55.803 0.018 0.000 1.279 316 Q CB -1.451 27.294 28.738 0.012 0.000 1.189 316 Q HN 0.844 nan 8.270 nan 0.000 1.014 317 D N 0.566 120.974 120.400 0.014 0.000 2.646 317 D HA 0.342 4.982 4.640 -0.000 0.000 0.245 317 D C -1.495 174.805 176.300 -0.000 0.000 1.099 317 D CA -0.474 53.538 54.000 0.019 0.000 0.849 317 D CB 1.384 42.177 40.800 -0.011 0.000 1.448 317 D HN 0.052 nan 8.370 nan 0.000 0.489 318 D N 1.299 121.722 120.400 0.038 0.000 2.233 318 D HA 0.349 4.989 4.640 -0.000 0.000 0.240 318 D C -0.560 175.637 176.300 -0.172 0.000 1.074 318 D CA -0.153 53.810 54.000 -0.062 0.000 0.838 318 D CB 1.060 41.905 40.800 0.074 0.000 1.124 318 D HN 0.219 nan 8.370 nan 0.000 0.475 319 c N 2.653 120.999 118.600 -0.423 0.000 2.493 319 c HA 0.627 5.197 4.570 -0.000 0.000 0.326 319 c C -0.676 173.066 174.090 -0.580 0.000 1.200 319 c CA -0.682 55.441 56.329 -0.345 0.000 1.739 319 c CB 0.069 42.471 42.510 -0.180 0.000 2.300 319 c HN 0.531 nan 8.230 nan 0.000 0.500 320 Y N 0.241 120.561 120.300 0.034 0.000 2.581 320 Y HA 0.580 5.130 4.550 -0.000 0.000 0.345 320 Y C -0.002 175.956 175.900 0.098 0.000 1.036 320 Y CA -0.894 57.256 58.100 0.083 0.000 1.042 320 Y CB 1.330 39.865 38.460 0.126 0.000 1.289 320 Y HN 0.473 nan 8.280 nan 0.000 0.471 321 K N 1.325 121.880 120.400 0.258 0.000 2.270 321 K HA 0.403 4.723 4.320 -0.000 0.000 0.255 321 K C -1.485 175.202 176.600 0.146 0.000 0.936 321 K CA -0.861 55.519 56.287 0.156 0.000 0.809 321 K CB 1.174 33.721 32.500 0.080 0.000 1.131 321 K HN 0.565 nan 8.250 nan 0.000 0.427 322 F N 2.880 122.671 119.950 -0.264 0.000 2.533 322 F HA 0.192 4.719 4.527 -0.000 0.000 0.378 322 F C 0.252 176.009 175.800 -0.072 0.000 1.070 322 F CA -0.313 57.502 58.000 -0.309 0.000 1.172 322 F CB 0.610 39.096 39.000 -0.856 0.000 1.085 322 F HN 0.591 nan 8.300 nan 0.000 0.552 323 A N 8.137 130.776 122.820 -0.303 0.000 2.842 323 A HA 0.433 4.753 4.320 -0.000 0.000 0.298 323 A C -0.143 177.225 177.584 -0.360 0.000 1.293 323 A CA -0.312 51.589 52.037 -0.228 0.000 0.959 323 A CB -0.986 17.991 19.000 -0.039 0.000 1.119 323 A HN 0.590 nan 8.150 nan 0.000 0.564 324 I N 1.448 121.538 120.570 -0.800 0.000 2.418 324 I HA 0.396 4.566 4.170 -0.000 0.000 0.287 324 I C -0.127 175.889 176.117 -0.169 0.000 1.008 324 I CA -0.413 60.594 61.300 -0.488 0.000 1.104 324 I CB 2.116 39.780 38.000 -0.560 0.000 1.264 324 I HN 0.303 nan 8.210 nan 0.000 0.438 325 S N 4.385 120.049 115.700 -0.060 0.000 2.632 325 S HA 0.481 4.950 4.470 -0.000 0.000 0.289 325 S C -0.817 173.522 174.600 -0.435 0.000 1.115 325 S CA -0.898 57.179 58.200 -0.206 0.000 0.889 325 S CB 2.280 65.380 63.200 -0.166 0.000 1.116 325 S HN 0.661 nan 8.310 nan 0.000 0.486 326 Q N 0.388 119.675 119.800 -0.855 0.000 2.354 326 Q HA 0.556 4.895 4.340 -0.000 0.000 0.244 326 Q C -0.671 175.151 176.000 -0.297 0.000 0.969 326 Q CA -0.208 55.158 55.803 -0.728 0.000 0.885 326 Q CB 1.050 29.290 28.738 -0.830 0.000 1.241 326 Q HN 0.778 nan 8.270 nan 0.000 0.461 327 S N 0.163 115.758 115.700 -0.175 0.000 2.564 327 S HA 0.407 4.877 4.470 -0.000 0.000 0.274 327 S C -0.303 174.239 174.600 -0.097 0.000 1.124 327 S CA -0.131 57.999 58.200 -0.117 0.000 0.869 327 S CB 1.614 64.757 63.200 -0.093 0.000 1.105 327 S HN 0.709 nan 8.310 nan 0.000 0.472 328 S N 0.610 116.247 115.700 -0.105 0.000 2.578 328 S HA 0.090 4.559 4.470 -0.000 0.000 0.228 328 S C 1.151 175.643 174.600 -0.181 0.000 1.022 328 S CA 0.568 58.695 58.200 -0.121 0.000 0.967 328 S CB -0.116 63.033 63.200 -0.086 0.000 0.914 328 S HN 0.874 nan 8.310 nan 0.000 0.515 329 T N -1.492 112.959 114.554 -0.171 0.000 3.086 329 T HA 0.587 4.937 4.350 -0.000 0.000 0.250 329 T C 1.070 175.620 174.700 -0.251 0.000 1.074 329 T CA 0.392 62.368 62.100 -0.206 0.000 0.988 329 T CB 0.008 68.777 68.868 -0.166 0.000 0.988 329 T HN 1.194 nan 8.240 nan 0.000 0.530 330 G N 0.772 109.441 108.800 -0.219 0.000 2.362 330 G HA2 0.086 4.046 3.960 -0.000 0.000 0.517 330 G HA3 0.086 4.046 3.960 -0.000 0.000 0.517 330 G C -0.713 174.127 174.900 -0.101 0.000 1.256 330 G CA -0.589 44.403 45.100 -0.179 0.000 1.027 330 G HN 0.383 nan 8.290 nan 0.000 0.491 331 T N 0.368 114.888 114.554 -0.058 0.000 2.817 331 T HA 0.524 4.873 4.350 -0.000 0.000 0.293 331 T C 0.135 174.805 174.700 -0.050 0.000 0.964 331 T CA -0.090 61.997 62.100 -0.021 0.000 1.085 331 T CB 1.508 70.389 68.868 0.022 0.000 0.921 331 T HN 1.065 nan 8.240 nan 0.000 0.502 332 V N 5.132 125.026 119.914 -0.032 0.000 2.349 332 V HA 0.279 4.399 4.120 -0.000 0.000 0.284 332 V C 0.128 176.235 176.094 0.021 0.000 1.014 332 V CA -0.695 61.593 62.300 -0.020 0.000 0.826 332 V CB 1.079 32.883 31.823 -0.030 0.000 1.009 332 V HN 0.931 nan 8.190 nan 0.000 0.431 333 M N 4.665 124.295 119.600 0.049 0.000 3.011 333 M HA 0.304 4.784 4.480 -0.000 0.000 0.292 333 M C 1.105 177.471 176.300 0.110 0.000 1.440 333 M CA 0.255 55.605 55.300 0.083 0.000 1.552 333 M CB 0.060 32.722 32.600 0.103 0.000 1.187 333 M HN 0.779 nan 8.290 nan 0.000 0.520 334 G N 0.766 109.619 108.800 0.088 0.000 2.494 334 G HA2 0.442 4.402 3.960 -0.000 0.000 0.270 334 G HA3 0.442 4.402 3.960 -0.000 0.000 0.270 334 G C 0.937 175.906 174.900 0.116 0.000 1.423 334 G CA 0.015 45.170 45.100 0.092 0.000 1.055 334 G HN 0.671 nan 8.290 nan 0.000 0.536 335 A N -1.117 121.774 122.820 0.119 0.000 2.024 335 A HA -0.042 4.277 4.320 -0.000 0.000 0.220 335 A C 2.564 180.231 177.584 0.138 0.000 1.164 335 A CA 2.871 54.998 52.037 0.149 0.000 0.643 335 A CB -0.918 18.218 19.000 0.227 0.000 0.806 335 A HN 1.341 nan 8.150 nan 0.000 0.451 336 V N -2.349 117.637 119.914 0.119 0.000 2.515 336 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 336 V C 2.044 178.218 176.094 0.134 0.000 1.058 336 V CA 1.685 64.055 62.300 0.117 0.000 1.064 336 V CB -0.726 31.164 31.823 0.113 0.000 0.675 336 V HN 0.420 nan 8.190 nan 0.000 0.461 337 I N -0.057 120.612 120.570 0.166 0.000 2.235 337 I HA -0.069 4.101 4.170 -0.000 0.000 0.241 337 I C 2.712 179.032 176.117 0.337 0.000 1.085 337 I CA 1.965 63.420 61.300 0.258 0.000 1.378 337 I CB -0.747 37.398 38.000 0.242 0.000 1.076 337 I HN 0.325 nan 8.210 nan 0.000 0.415 338 M N 0.082 119.838 119.600 0.259 0.000 2.279 338 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 338 M C 1.702 178.073 176.300 0.119 0.000 1.062 338 M CA 1.434 56.873 55.300 0.232 0.000 1.099 338 M CB -0.452 32.227 32.600 0.131 0.000 1.394 338 M HN 0.187 nan 8.290 nan 0.000 0.426 339 E N -0.131 120.107 120.200 0.064 0.000 2.478 339 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 339 E C 1.816 178.352 176.600 -0.106 0.000 1.046 339 E CA 0.525 56.931 56.400 0.010 0.000 0.870 339 E CB -0.065 29.671 29.700 0.061 0.000 0.818 339 E HN 0.594 nan 8.360 nan 0.000 0.527 340 G N -0.195 108.390 108.800 -0.359 0.000 2.986 340 G HA2 0.126 4.086 3.960 -0.000 0.000 0.213 340 G HA3 0.126 4.086 3.960 -0.000 0.000 0.213 340 G C 0.035 174.217 174.900 -1.197 0.000 1.156 340 G CA -0.143 44.398 45.100 -0.932 0.000 0.763 340 G HN 0.002 nan 8.290 nan 0.000 0.547 341 F N -1.896 118.065 119.950 0.017 0.000 2.601 341 F HA 0.414 4.941 4.527 -0.000 0.000 0.309 341 F C -0.966 174.874 175.800 0.068 0.000 1.089 341 F CA -1.710 56.320 58.000 0.050 0.000 0.940 341 F CB 1.513 40.589 39.000 0.127 0.000 1.273 341 F HN -0.102 nan 8.300 nan 0.000 0.450 342 Y N 2.756 123.116 120.300 0.099 0.000 2.393 342 Y HA 0.566 5.116 4.550 -0.000 0.000 0.338 342 Y C -0.737 175.036 175.900 -0.211 0.000 1.029 342 Y CA -1.012 57.060 58.100 -0.047 0.000 1.239 342 Y CB 0.578 39.000 38.460 -0.065 0.000 1.170 342 Y HN 0.305 nan 8.280 nan 0.000 0.515 343 V N 7.171 126.782 119.914 -0.505 0.000 2.448 343 V HA 0.395 4.515 4.120 -0.000 0.000 0.295 343 V C -0.744 174.847 176.094 -0.838 0.000 1.025 343 V CA -1.034 60.783 62.300 -0.804 0.000 0.859 343 V CB 1.483 32.887 31.823 -0.699 0.000 0.988 343 V HN 0.508 nan 8.190 nan 0.000 0.431 344 V N 5.302 124.657 119.914 -0.932 0.000 2.304 344 V HA 0.400 4.520 4.120 -0.000 0.000 0.278 344 V C -0.448 175.243 176.094 -0.673 0.000 1.018 344 V CA -0.336 61.546 62.300 -0.697 0.000 0.814 344 V CB 0.852 32.343 31.823 -0.553 0.000 1.021 344 V HN 0.727 nan 8.190 nan 0.000 0.440 345 F N 2.971 122.418 119.950 -0.838 0.000 2.566 345 F HA 0.223 4.750 4.527 -0.000 0.000 0.349 345 F C 1.017 176.437 175.800 -0.635 0.000 1.245 345 F CA -0.116 57.319 58.000 -0.941 0.000 1.169 345 F CB 0.305 38.208 39.000 -1.829 0.000 1.470 345 F HN 0.436 nan 8.300 nan 0.000 0.634 346 D N 3.369 123.634 120.400 -0.224 0.000 2.631 346 D HA 0.093 4.733 4.640 -0.000 0.000 0.227 346 D C 1.378 177.667 176.300 -0.019 0.000 1.146 346 D CA 0.016 53.946 54.000 -0.115 0.000 1.009 346 D CB 0.186 40.923 40.800 -0.105 0.000 1.057 346 D HN 0.449 nan 8.370 nan 0.000 0.509 347 R N 1.237 121.751 120.500 0.024 0.000 2.096 347 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 347 R C 2.197 178.588 176.300 0.152 0.000 1.127 347 R CA 1.432 57.640 56.100 0.180 0.000 0.968 347 R CB -0.090 30.328 30.300 0.195 0.000 0.861 347 R HN 0.331 nan 8.270 nan 0.000 0.440 348 A N 1.296 124.176 122.820 0.100 0.000 1.986 348 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 348 A C 1.461 179.065 177.584 0.032 0.000 1.171 348 A CA 1.395 53.476 52.037 0.072 0.000 0.640 348 A CB -0.203 18.830 19.000 0.054 0.000 0.811 348 A HN 0.250 nan 8.150 nan 0.000 0.451 349 R N -1.435 119.063 120.500 -0.002 0.000 2.767 349 R HA 0.241 4.580 4.340 -0.000 0.000 0.377 349 R C -0.218 176.070 176.300 -0.021 0.000 1.151 349 R CA -0.140 55.936 56.100 -0.040 0.000 1.046 349 R CB 0.044 30.272 30.300 -0.120 0.000 1.404 349 R HN 0.441 nan 8.270 nan 0.000 0.580 350 K N 2.547 122.971 120.400 0.040 0.000 3.903 350 K HA -0.270 4.050 4.320 -0.000 0.000 0.275 350 K C -0.843 175.797 176.600 0.067 0.000 0.825 350 K CA 0.954 57.285 56.287 0.073 0.000 0.684 350 K CB -0.504 32.023 32.500 0.046 0.000 1.707 350 K HN 0.543 nan 8.250 nan 0.000 0.435 351 R N 0.281 120.819 120.500 0.064 0.000 2.712 351 R HA 0.573 4.913 4.340 -0.000 0.000 0.272 351 R C -1.154 175.182 176.300 0.061 0.000 1.032 351 R CA -1.151 54.997 56.100 0.079 0.000 0.874 351 R CB 1.019 31.328 30.300 0.015 0.000 1.256 351 R HN 0.088 nan 8.270 nan 0.000 0.468 352 I N 0.913 121.546 120.570 0.106 0.000 2.478 352 I HA 0.442 4.612 4.170 -0.000 0.000 0.287 352 I C -0.030 176.035 176.117 -0.087 0.000 1.042 352 I CA -0.881 60.326 61.300 -0.156 0.000 1.067 352 I CB 2.373 40.195 38.000 -0.296 0.000 1.233 352 I HN 0.862 nan 8.210 nan 0.000 0.431 353 G N 5.219 113.750 108.800 -0.448 0.000 2.367 353 G HA2 0.705 4.664 3.960 -0.000 0.000 0.314 353 G HA3 0.705 4.664 3.960 -0.000 0.000 0.314 353 G C -1.309 173.091 174.900 -0.833 0.000 1.130 353 G CA -0.191 44.406 45.100 -0.838 0.000 0.864 353 G HN 0.334 nan 8.290 nan 0.000 0.486 354 F N 0.784 120.400 119.950 -0.557 0.000 2.536 354 F HA 0.672 5.199 4.527 -0.000 0.000 0.322 354 F C 0.433 176.071 175.800 -0.271 0.000 1.144 354 F CA -0.535 57.245 58.000 -0.368 0.000 0.924 354 F CB 2.466 41.270 39.000 -0.327 0.000 1.181 354 F HN 0.708 nan 8.300 nan 0.000 0.438 355 A N 2.016 124.840 122.820 0.007 0.000 2.430 355 A HA 0.835 5.155 4.320 -0.000 0.000 0.300 355 A C -1.121 176.674 177.584 0.351 0.000 1.124 355 A CA -0.875 51.249 52.037 0.144 0.000 0.766 355 A CB 1.174 20.181 19.000 0.012 0.000 1.328 355 A HN 0.429 nan 8.150 nan 0.000 0.424 356 V N 1.472 121.574 119.914 0.313 0.000 2.599 356 V HA 0.217 4.336 4.120 -0.000 0.000 0.300 356 V C 1.152 177.348 176.094 0.170 0.000 1.034 356 V CA 0.336 62.755 62.300 0.199 0.000 1.115 356 V CB 1.155 33.036 31.823 0.098 0.000 0.934 356 V HN 0.891 nan 8.190 nan 0.000 0.485 357 S N 3.947 119.678 115.700 0.052 0.000 2.528 357 S HA 0.380 4.850 4.470 -0.000 0.000 0.277 357 S C 1.204 175.922 174.600 0.198 0.000 1.297 357 S CA -0.166 58.112 58.200 0.129 0.000 1.052 357 S CB 1.187 64.430 63.200 0.072 0.000 0.917 357 S HN 0.995 nan 8.310 nan 0.000 0.492 358 A N 3.446 126.331 122.820 0.108 0.000 2.209 358 A HA 0.018 4.338 4.320 -0.000 0.000 0.212 358 A C 1.827 179.441 177.584 0.051 0.000 1.158 358 A CA 1.029 53.102 52.037 0.060 0.000 0.742 358 A CB -1.043 17.945 19.000 -0.021 0.000 0.790 358 A HN 1.244 nan 8.150 nan 0.000 0.472 359 c N -1.094 117.548 118.600 0.069 0.000 3.243 359 c HA 0.345 4.915 4.570 -0.000 0.000 0.286 359 c C 0.881 174.988 174.090 0.028 0.000 1.373 359 c CA -0.169 56.175 56.329 0.026 0.000 1.749 359 c CB -1.679 40.843 42.510 0.019 0.000 2.313 359 c HN 0.673 nan 8.230 nan 0.000 0.644 360 H N 0.923 119.992 119.070 -0.001 0.000 2.690 360 H HA 0.486 5.042 4.556 -0.000 0.000 0.365 360 H C -0.675 174.661 175.328 0.013 0.000 1.142 360 H CA -0.034 56.000 56.048 -0.023 0.000 1.417 360 H CB 0.798 30.504 29.762 -0.094 0.000 1.446 360 H HN 0.157 nan 8.280 nan 0.000 0.599 361 V N 5.888 125.744 119.914 -0.097 0.000 2.488 361 V HA 0.161 4.281 4.120 -0.000 0.000 0.277 361 V C 0.688 176.633 176.094 -0.248 0.000 1.046 361 V CA 0.082 62.237 62.300 -0.242 0.000 0.986 361 V CB -0.127 31.578 31.823 -0.197 0.000 0.989 361 V HN 1.025 nan 8.190 nan 0.000 0.475 362 H N 2.820 121.624 119.070 -0.444 0.000 2.984 362 H HA 0.701 5.257 4.556 -0.000 0.000 0.277 362 H C -1.537 173.562 175.328 -0.382 0.000 1.502 362 H CA -0.869 54.941 56.048 -0.397 0.000 1.195 362 H CB 1.822 31.398 29.762 -0.311 0.000 1.866 362 H HN 0.603 nan 8.280 nan 0.000 0.594 363 D N -1.310 118.975 120.400 -0.191 0.000 2.585 363 D HA 0.109 4.749 4.640 -0.000 0.000 0.254 363 D C 0.933 177.172 176.300 -0.102 0.000 1.067 363 D CA -0.774 53.101 54.000 -0.209 0.000 1.090 363 D CB 1.305 42.029 40.800 -0.126 0.000 1.408 363 D HN 0.682 nan 8.370 nan 0.000 0.554 364 E N -0.926 119.093 120.200 -0.303 0.000 2.130 364 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 364 E C 0.910 177.246 176.600 -0.439 0.000 0.998 364 E CA 1.339 57.431 56.400 -0.513 0.000 0.806 364 E CB -0.108 28.979 29.700 -1.022 0.000 0.738 364 E HN 0.547 nan 8.360 nan 0.000 0.459 365 F N -0.694 119.288 119.950 0.053 0.000 2.678 365 F HA 0.283 4.809 4.527 -0.000 0.000 0.291 365 F C 0.953 176.780 175.800 0.045 0.000 1.123 365 F CA -0.121 57.907 58.000 0.047 0.000 1.395 365 F CB 0.584 39.612 39.000 0.047 0.000 1.121 365 F HN -0.312 nan 8.300 nan 0.000 0.592 366 R N -0.602 120.009 120.500 0.186 0.000 2.771 366 R HA 0.543 4.883 4.340 -0.000 0.000 0.274 366 R C -0.983 175.350 176.300 0.056 0.000 0.987 366 R CA -0.585 55.584 56.100 0.116 0.000 0.908 366 R CB 2.252 32.625 30.300 0.122 0.000 1.213 366 R HN -0.190 nan 8.270 nan 0.000 0.468 367 T N -0.011 114.547 114.554 0.007 0.000 2.909 367 T HA 0.585 4.935 4.350 -0.000 0.000 0.299 367 T C -0.768 173.935 174.700 0.005 0.000 1.073 367 T CA -0.456 61.618 62.100 -0.043 0.000 0.999 367 T CB 1.513 70.265 68.868 -0.194 0.000 1.098 367 T HN 0.685 nan 8.240 nan 0.000 0.477 368 A N 2.307 125.098 122.820 -0.048 0.000 2.531 368 A HA 0.612 4.932 4.320 -0.000 0.000 0.236 368 A C 0.557 178.056 177.584 -0.141 0.000 1.062 368 A CA 0.288 52.142 52.037 -0.305 0.000 0.760 368 A CB -0.545 17.888 19.000 -0.945 0.000 0.995 368 A HN 1.378 nan 8.150 nan 0.000 0.501 369 A N 1.538 124.380 122.820 0.036 0.000 2.454 369 A HA 0.704 5.023 4.320 -0.000 0.000 0.302 369 A C -0.961 176.733 177.584 0.183 0.000 1.079 369 A CA -0.486 51.607 52.037 0.093 0.000 0.731 369 A CB 1.758 20.787 19.000 0.049 0.000 1.299 369 A HN 1.367 nan 8.150 nan 0.000 0.413 370 V N 2.051 122.042 119.914 0.129 0.000 2.445 370 V HA 0.410 4.529 4.120 -0.000 0.000 0.283 370 V C -0.660 175.412 176.094 -0.037 0.000 1.014 370 V CA -0.235 62.099 62.300 0.057 0.000 0.852 370 V CB 1.051 32.956 31.823 0.137 0.000 1.021 370 V HN 0.993 nan 8.190 nan 0.000 0.435 371 E N 2.156 122.259 120.200 -0.161 0.000 2.256 371 E HA 0.895 5.245 4.350 -0.000 0.000 0.267 371 E C 0.104 176.394 176.600 -0.516 0.000 0.892 371 E CA -0.465 55.813 56.400 -0.204 0.000 0.775 371 E CB 2.677 32.379 29.700 0.004 0.000 1.207 371 E HN 0.883 nan 8.360 nan 0.000 0.420 372 G N 1.535 109.874 108.800 -0.769 0.000 2.356 372 G HA2 0.396 4.355 3.960 -0.000 0.000 0.294 372 G HA3 0.396 4.355 3.960 -0.000 0.000 0.294 372 G C -2.933 171.609 174.900 -0.596 0.000 1.423 372 G CA -0.846 43.557 45.100 -1.162 0.000 0.806 372 G HN 0.381 nan 8.290 nan 0.000 0.527 373 P HA 0.782 nan 4.420 nan 0.000 0.280 373 P C -1.455 175.454 177.300 -0.651 0.000 1.272 373 P CA -0.616 62.255 63.100 -0.382 0.000 0.819 373 P CB 1.245 32.982 31.700 0.062 0.000 1.122 374 F N -1.365 118.585 119.950 -0.000 0.000 2.556 374 F HA 0.258 4.785 4.527 -0.000 0.000 0.314 374 F C 0.081 175.911 175.800 0.049 0.000 1.106 374 F CA -1.167 56.858 58.000 0.040 0.000 0.911 374 F CB 2.006 41.064 39.000 0.097 0.000 1.190 374 F HN -0.101 nan 8.300 nan 0.000 0.448 375 V N 2.674 122.712 119.914 0.206 0.000 2.421 375 V HA 0.227 4.347 4.120 -0.000 0.000 0.271 375 V C -0.134 176.026 176.094 0.111 0.000 1.031 375 V CA 0.386 62.763 62.300 0.129 0.000 1.032 375 V CB 0.177 32.054 31.823 0.089 0.000 1.009 375 V HN 0.794 nan 8.190 nan 0.000 0.477 376 T N 6.884 121.493 114.554 0.092 0.000 2.890 376 T HA 0.530 4.880 4.350 -0.000 0.000 0.295 376 T C -0.217 174.507 174.700 0.040 0.000 0.993 376 T CA -0.417 61.712 62.100 0.048 0.000 0.979 376 T CB 1.034 69.927 68.868 0.041 0.000 0.967 376 T HN 0.294 nan 8.240 nan 0.000 0.441 377 L N 1.761 122.997 121.223 0.022 0.000 2.454 377 L HA 0.403 4.743 4.340 -0.000 0.000 0.256 377 L C 0.566 177.447 176.870 0.018 0.000 1.136 377 L CA -0.760 54.093 54.840 0.022 0.000 0.804 377 L CB 0.328 42.395 42.059 0.014 0.000 1.181 377 L HN 0.702 nan 8.230 nan 0.000 0.469 378 D N 1.119 121.530 120.400 0.018 0.000 2.730 378 D HA -0.235 4.404 4.640 -0.000 0.000 0.227 378 D C 1.183 177.495 176.300 0.020 0.000 1.196 378 D CA 0.747 54.756 54.000 0.016 0.000 0.620 378 D CB -0.328 40.477 40.800 0.007 0.000 1.012 378 D HN 0.544 nan 8.370 nan 0.000 0.411 379 M N -0.556 119.061 119.600 0.029 0.000 2.296 379 M HA -0.156 4.324 4.480 -0.000 0.000 0.265 379 M C 1.968 178.292 176.300 0.040 0.000 1.064 379 M CA 1.281 56.602 55.300 0.034 0.000 1.109 379 M CB -0.039 32.585 32.600 0.041 0.000 1.396 379 M HN -0.067 nan 8.290 nan 0.000 0.430 380 E N 0.991 121.214 120.200 0.037 0.000 2.118 380 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 380 E C 1.408 178.028 176.600 0.033 0.000 0.992 380 E CA 1.411 57.833 56.400 0.037 0.000 0.804 380 E CB -0.264 29.453 29.700 0.029 0.000 0.741 380 E HN 0.406 nan 8.360 nan 0.000 0.458 381 D N -0.822 119.592 120.400 0.023 0.000 2.221 381 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 381 D C 1.330 177.646 176.300 0.026 0.000 0.982 381 D CA 0.833 54.841 54.000 0.014 0.000 0.857 381 D CB -0.242 40.560 40.800 0.003 0.000 0.934 381 D HN 0.269 nan 8.370 nan 0.000 0.475 382 c N 0.518 119.144 118.600 0.043 0.000 2.449 382 c HA 0.159 4.729 4.570 -0.000 0.000 0.283 382 c C 1.614 175.762 174.090 0.097 0.000 1.453 382 c CA 0.028 56.396 56.329 0.066 0.000 1.779 382 c CB -1.416 41.144 42.510 0.083 0.000 1.779 382 c HN 0.259 nan 8.230 nan 0.000 0.546 383 G N -1.520 107.338 108.800 0.096 0.000 2.507 383 G HA2 0.412 4.372 3.960 -0.000 0.000 0.271 383 G HA3 0.412 4.372 3.960 -0.000 0.000 0.271 383 G C -0.944 174.055 174.900 0.164 0.000 1.189 383 G CA -0.165 45.019 45.100 0.139 0.000 0.859 383 G HN 0.439 nan 8.290 nan 0.000 0.542 384 Y N 1.151 121.510 120.300 0.098 0.000 2.299 384 Y HA 0.494 5.044 4.550 -0.000 0.000 0.326 384 Y C 0.232 176.178 175.900 0.078 0.000 1.164 384 Y CA -0.294 57.872 58.100 0.110 0.000 1.234 384 Y CB 1.015 39.580 38.460 0.175 0.000 1.219 384 Y HN 0.674 nan 8.280 nan 0.000 0.497 385 N N 0.000 118.318 118.700 -0.637 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.773 53.050 -0.462 0.000 0.885 385 N CB 0.000 38.371 38.487 -0.193 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667