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 3kvc_1_A DATA FIRST_RESID 3 DATA SEQUENCE SQVEHPAGGY KKLFETVEEL SSPLTAHVTG RIPLWLTGSL LRCGPGLFEV DATA SEQUENCE GSEPFYHLFD GQALLHKFDF KEGHVTYHRR FIRTDAYVRA MTEKRIVITE DATA SEQUENCE FGTCAXXXXX XXXXXXXXXX XXXXEVTDNA LVNIYPVGED YYACTETNFI DATA SEQUENCE TKVNPETLET IKQVDLCNYV SVNGATAHPH IENDGTVYNI GNCFGXXXSI DATA SEQUENCE AYNIVKIPPL QADKEDPISK SEIVVQFPCS DRFKPSYVHS FGLTPNYIVF DATA SEQUENCE VETPVKINXX XXXXXXXXXG ANYMDCFESN ETMGVWLHIA DKKRKKYINN DATA SEQUENCE KYRTSPFNLF HHINTYEDHE FLIVDLCCWK GFEFVYNYLY LANLRENWEE DATA SEQUENCE VKKNARKAPQ PEVRRYVLPL NIDKADTGKN LVTLPNTTAT AILCSDETIW DATA SEQUENCE LEPEVLFSGP RQAFEFPQIN YQKYGGKPYT YAYGLGLNHF VPDRLCKLNV DATA SEQUENCE KTKETWVWQE PDSYPSEPIF VSHPDALEED DGVVLSVVVS PGAGQKPAYL DATA SEQUENCE LILNAKDLSE VARAEVEINI PVTFHGLFKK S 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.620 174.600 0.033 0.000 1.055 3 S CA 0.000 58.209 58.200 0.015 0.000 1.107 3 S CB 0.000 63.210 63.200 0.017 0.000 0.593 4 Q N 1.464 121.299 119.800 0.058 0.000 2.269 4 Q HA 0.384 4.724 4.340 -0.000 0.000 0.300 4 Q C -0.688 175.356 176.000 0.074 0.000 1.070 4 Q CA 0.126 55.990 55.803 0.102 0.000 0.957 4 Q CB 0.135 28.957 28.738 0.139 0.000 1.131 4 Q HN 0.564 nan 8.270 nan 0.000 0.377 5 V N 5.389 125.342 119.914 0.064 0.000 2.530 5 V HA 0.204 4.324 4.120 -0.000 0.000 0.282 5 V C 0.182 176.170 176.094 -0.176 0.000 1.048 5 V CA -0.222 62.034 62.300 -0.074 0.000 0.997 5 V CB 1.064 32.833 31.823 -0.091 0.000 0.987 5 V HN 0.805 nan 8.190 nan 0.000 0.477 6 E N 3.407 123.385 120.200 -0.370 0.000 2.221 6 E HA 0.489 4.839 4.350 -0.000 0.000 0.268 6 E C -0.680 175.270 176.600 -1.083 0.000 0.933 6 E CA -0.664 55.448 56.400 -0.480 0.000 0.809 6 E CB 1.738 31.399 29.700 -0.064 0.000 1.190 6 E HN 0.638 nan 8.360 nan 0.000 0.406 7 H N 1.253 119.593 119.070 -1.215 0.000 2.624 7 H HA 0.165 4.721 4.556 -0.000 0.000 0.233 7 H C -1.792 173.363 175.328 -0.287 0.000 1.376 7 H CA -1.410 54.224 56.048 -0.689 0.000 1.137 7 H CB 0.615 29.979 29.762 -0.662 0.000 1.867 7 H HN 0.270 nan 8.280 nan 0.000 0.547 8 P HA -0.116 nan 4.420 nan 0.000 0.219 8 P C 1.499 178.873 177.300 0.123 0.000 1.146 8 P CA 1.031 64.222 63.100 0.153 0.000 0.808 8 P CB 0.310 32.079 31.700 0.116 0.000 0.779 9 A N -0.056 122.810 122.820 0.077 0.000 2.067 9 A HA 0.204 4.524 4.320 -0.000 0.000 0.219 9 A C 1.859 179.433 177.584 -0.016 0.000 1.158 9 A CA 1.408 53.470 52.037 0.043 0.000 0.661 9 A CB -1.581 17.445 19.000 0.043 0.000 0.801 9 A HN 0.305 nan 8.150 nan 0.000 0.452 10 G N -2.279 106.487 108.800 -0.057 0.000 2.147 10 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.244 10 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.244 10 G C 1.209 175.728 174.900 -0.634 0.000 1.005 10 G CA 0.717 45.535 45.100 -0.470 0.000 0.713 10 G HN 1.320 nan 8.290 nan 0.000 0.515 11 G N 0.261 108.900 108.800 -0.268 0.000 2.485 11 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.221 11 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.221 11 G C 1.397 176.017 174.900 -0.466 0.000 1.115 11 G CA 1.717 46.737 45.100 -0.132 0.000 0.751 11 G HN 1.192 nan 8.290 nan 0.000 0.567 12 Y N 0.369 120.198 120.300 -0.784 0.000 2.403 12 Y HA 0.168 4.718 4.550 -0.000 0.000 0.291 12 Y C 2.389 178.016 175.900 -0.455 0.000 1.143 12 Y CA 0.773 58.286 58.100 -0.978 0.000 1.257 12 Y CB -0.356 37.555 38.460 -0.915 0.000 0.984 12 Y HN 0.096 nan 8.280 nan 0.000 0.550 13 K N 0.742 120.864 120.400 -0.463 0.000 2.211 13 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 13 K C 1.855 178.334 176.600 -0.202 0.000 1.047 13 K CA 1.161 57.362 56.287 -0.144 0.000 0.935 13 K CB -0.091 32.301 32.500 -0.179 0.000 0.728 13 K HN 0.226 nan 8.250 nan 0.000 0.452 14 K N 1.016 121.254 120.400 -0.270 0.000 2.209 14 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 14 K C 1.961 178.363 176.600 -0.330 0.000 1.048 14 K CA 0.896 57.048 56.287 -0.225 0.000 0.940 14 K CB -0.220 32.193 32.500 -0.145 0.000 0.729 14 K HN 0.227 nan 8.250 nan 0.000 0.451 15 L N -0.227 120.645 121.223 -0.585 0.000 2.187 15 L HA -0.150 4.190 4.340 -0.000 0.000 0.213 15 L C 0.943 177.297 176.870 -0.860 0.000 1.100 15 L CA 1.081 55.427 54.840 -0.823 0.000 0.765 15 L CB -0.310 40.977 42.059 -1.287 0.000 0.904 15 L HN 0.030 nan 8.230 nan 0.000 0.437 16 F N -0.956 118.797 119.950 -0.328 0.000 2.791 16 F HA 0.325 4.852 4.527 -0.000 0.000 0.308 16 F C 0.627 175.758 175.800 -1.115 0.000 1.138 16 F CA -0.800 56.709 58.000 -0.818 0.000 1.294 16 F CB -0.124 38.564 39.000 -0.520 0.000 0.975 16 F HN -0.054 nan 8.300 nan 0.000 0.512 17 E N 0.607 120.526 120.200 -0.469 0.000 2.171 17 E HA 0.323 4.673 4.350 -0.000 0.000 0.271 17 E C -0.299 176.409 176.600 0.180 0.000 0.916 17 E CA -0.478 55.829 56.400 -0.155 0.000 0.774 17 E CB 1.341 31.005 29.700 -0.061 0.000 1.128 17 E HN 0.010 nan 8.360 nan 0.000 0.403 18 T N 2.307 117.086 114.554 0.375 0.000 2.946 18 T HA 0.169 4.519 4.350 -0.000 0.000 0.312 18 T C 0.036 174.916 174.700 0.299 0.000 1.066 18 T CA 0.046 62.428 62.100 0.470 0.000 1.138 18 T CB 0.409 69.497 68.868 0.366 0.000 1.014 18 T HN 0.380 nan 8.240 nan 0.000 0.544 19 V N 0.366 120.468 119.914 0.314 0.000 3.141 19 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 19 V C -0.557 175.702 176.094 0.275 0.000 1.157 19 V CA -1.246 61.188 62.300 0.224 0.000 1.041 19 V CB 2.113 34.031 31.823 0.159 0.000 1.071 19 V HN 0.802 nan 8.190 nan 0.000 0.441 20 E N 1.446 121.764 120.200 0.196 0.000 2.231 20 E HA 0.343 4.693 4.350 -0.000 0.000 0.277 20 E C -0.354 176.326 176.600 0.134 0.000 0.999 20 E CA -0.527 56.001 56.400 0.213 0.000 0.827 20 E CB 1.655 31.434 29.700 0.132 0.000 1.101 20 E HN 0.904 nan 8.360 nan 0.000 0.393 21 E N 3.297 123.600 120.200 0.172 0.000 2.410 21 E HA 0.165 4.515 4.350 -0.000 0.000 0.255 21 E C -0.603 175.985 176.600 -0.020 0.000 1.194 21 E CA -0.300 56.079 56.400 -0.034 0.000 0.955 21 E CB 0.697 30.398 29.700 0.002 0.000 0.988 21 E HN 0.305 nan 8.360 nan 0.000 0.461 22 L N 1.430 122.609 121.223 -0.074 0.000 2.331 22 L HA 0.141 4.481 4.340 -0.000 0.000 0.275 22 L C 1.444 178.372 176.870 0.095 0.000 1.022 22 L CA -0.447 54.402 54.840 0.016 0.000 0.812 22 L CB 1.807 43.881 42.059 0.026 0.000 1.257 22 L HN 0.856 nan 8.230 nan 0.000 0.435 23 S N -0.039 115.691 115.700 0.051 0.000 2.414 23 S HA 0.004 4.474 4.470 -0.000 0.000 0.227 23 S C 0.641 175.233 174.600 -0.012 0.000 1.022 23 S CA 0.515 58.738 58.200 0.038 0.000 0.958 23 S CB 0.012 63.213 63.200 0.002 0.000 0.797 23 S HN 0.748 nan 8.310 nan 0.000 0.493 24 S N -0.074 115.542 115.700 -0.141 0.000 2.625 24 S HA 0.702 5.172 4.470 -0.000 0.000 0.271 24 S C -3.520 170.742 174.600 -0.562 0.000 1.161 24 S CA -1.495 56.444 58.200 -0.435 0.000 0.820 24 S CB 0.865 63.918 63.200 -0.245 0.000 1.137 24 S HN 0.073 nan 8.310 nan 0.000 0.470 25 P HA 0.355 nan 4.420 nan 0.000 0.269 25 P C -0.871 176.308 177.300 -0.203 0.000 1.215 25 P CA -0.536 62.305 63.100 -0.431 0.000 0.780 25 P CB 0.339 31.829 31.700 -0.350 0.000 0.898 26 L N 0.998 122.153 121.223 -0.113 0.000 2.342 26 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 26 L C -0.735 176.141 176.870 0.011 0.000 1.008 26 L CA -0.494 54.329 54.840 -0.028 0.000 0.818 26 L CB 2.083 44.157 42.059 0.026 0.000 1.296 26 L HN 0.179 nan 8.230 nan 0.000 0.427 27 T N 3.628 118.196 114.554 0.024 0.000 2.743 27 T HA 0.554 4.904 4.350 -0.000 0.000 0.293 27 T C 0.241 174.989 174.700 0.081 0.000 0.945 27 T CA -0.171 61.955 62.100 0.044 0.000 1.030 27 T CB 1.082 69.973 68.868 0.039 0.000 0.912 27 T HN 0.727 nan 8.240 nan 0.000 0.483 28 A N 2.933 125.809 122.820 0.092 0.000 2.322 28 A HA 0.361 4.681 4.320 -0.000 0.000 0.269 28 A C 0.127 177.774 177.584 0.105 0.000 1.094 28 A CA -0.607 51.500 52.037 0.117 0.000 0.807 28 A CB 0.221 19.304 19.000 0.139 0.000 1.047 28 A HN 0.940 nan 8.150 nan 0.000 0.487 29 H N 2.122 121.208 119.070 0.026 0.000 2.652 29 H HA 0.404 4.960 4.556 -0.000 0.000 0.298 29 H C -1.109 174.207 175.328 -0.020 0.000 1.076 29 H CA -0.228 55.821 56.048 0.002 0.000 1.360 29 H CB 0.689 30.450 29.762 -0.002 0.000 1.421 29 H HN 0.291 nan 8.280 nan 0.000 0.464 30 V N 6.223 125.838 119.914 -0.498 0.000 2.461 30 V HA 0.125 4.245 4.120 -0.000 0.000 0.275 30 V C 0.630 176.416 176.094 -0.513 0.000 1.047 30 V CA -0.260 61.803 62.300 -0.395 0.000 0.955 30 V CB 1.289 32.947 31.823 -0.275 0.000 0.988 30 V HN 0.917 nan 8.190 nan 0.000 0.471 31 T N 1.803 116.175 114.554 -0.302 0.000 2.856 31 T HA 0.820 5.170 4.350 -0.000 0.000 0.283 31 T C 0.286 174.901 174.700 -0.141 0.000 1.008 31 T CA 0.176 62.159 62.100 -0.195 0.000 0.997 31 T CB 1.629 70.433 68.868 -0.107 0.000 0.992 31 T HN 1.714 nan 8.240 nan 0.000 0.454 32 G N 1.608 110.342 108.800 -0.110 0.000 2.593 32 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.237 32 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.237 32 G C -0.555 174.278 174.900 -0.111 0.000 1.312 32 G CA -0.210 44.834 45.100 -0.093 0.000 0.896 32 G HN 1.013 nan 8.290 nan 0.000 0.574 33 R N -0.350 120.086 120.500 -0.106 0.000 2.451 33 R HA 0.586 4.926 4.340 -0.000 0.000 0.307 33 R C 0.011 176.225 176.300 -0.144 0.000 0.965 33 R CA -0.908 55.121 56.100 -0.118 0.000 0.865 33 R CB 0.498 30.744 30.300 -0.091 0.000 1.174 33 R HN 0.529 nan 8.270 nan 0.000 0.455 34 I N 6.465 126.939 120.570 -0.161 0.000 2.496 34 I HA 0.171 4.341 4.170 -0.000 0.000 0.285 34 I C -1.762 174.195 176.117 -0.266 0.000 1.080 34 I CA -1.951 59.231 61.300 -0.197 0.000 1.404 34 I CB 1.126 39.056 38.000 -0.117 0.000 1.403 34 I HN 0.405 nan 8.210 nan 0.000 0.539 35 P HA 0.049 nan 4.420 nan 0.000 0.268 35 P C 0.615 177.585 177.300 -0.549 0.000 1.204 35 P CA -0.036 62.721 63.100 -0.572 0.000 0.768 35 P CB 0.574 31.604 31.700 -1.117 0.000 0.842 36 L N 2.125 123.172 121.223 -0.293 0.000 2.376 36 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 36 L C 1.928 178.762 176.870 -0.060 0.000 1.133 36 L CA 0.648 55.414 54.840 -0.124 0.000 0.816 36 L CB -0.567 41.485 42.059 -0.012 0.000 0.933 36 L HN 0.634 nan 8.230 nan 0.000 0.449 37 W N -0.662 120.587 121.300 -0.085 0.000 2.800 37 W HA 0.061 4.721 4.660 -0.000 0.000 0.249 37 W C 0.428 176.870 176.519 -0.129 0.000 1.294 37 W CA -0.482 56.778 57.345 -0.141 0.000 1.402 37 W CB -0.273 29.002 29.460 -0.309 0.000 1.126 37 W HN 0.017 nan 8.180 nan 0.000 0.652 38 L N 3.561 124.537 121.223 -0.412 0.000 2.363 38 L HA 0.354 4.694 4.340 -0.000 0.000 0.286 38 L C -0.733 176.127 176.870 -0.017 0.000 1.106 38 L CA 0.842 55.450 54.840 -0.387 0.000 0.859 38 L CB 0.639 42.186 42.059 -0.854 0.000 1.223 38 L HN -0.160 nan 8.230 nan 0.000 0.446 39 T N 4.008 118.678 114.554 0.193 0.000 2.949 39 T HA 0.843 5.193 4.350 -0.000 0.000 0.300 39 T C -0.031 174.821 174.700 0.253 0.000 0.988 39 T CA -0.218 62.019 62.100 0.228 0.000 0.993 39 T CB 1.417 70.373 68.868 0.147 0.000 0.984 39 T HN 0.932 nan 8.240 nan 0.000 0.442 40 G N 1.775 110.687 108.800 0.187 0.000 2.350 40 G HA2 0.430 4.390 3.960 -0.000 0.000 0.276 40 G HA3 0.430 4.390 3.960 -0.000 0.000 0.276 40 G C -1.659 173.142 174.900 -0.165 0.000 1.313 40 G CA -0.819 44.179 45.100 -0.169 0.000 0.903 40 G HN 0.696 nan 8.290 nan 0.000 0.490 41 S N -0.387 114.998 115.700 -0.526 0.000 2.594 41 S HA 0.578 5.048 4.470 -0.000 0.000 0.296 41 S C -0.824 173.668 174.600 -0.180 0.000 1.124 41 S CA -0.467 57.626 58.200 -0.177 0.000 1.011 41 S CB 1.707 64.808 63.200 -0.165 0.000 1.016 41 S HN 1.088 nan 8.310 nan 0.000 0.485 42 L N 4.768 126.175 121.223 0.306 0.000 2.283 42 L HA 0.512 4.851 4.340 -0.000 0.000 0.287 42 L C -1.292 175.727 176.870 0.248 0.000 1.073 42 L CA -0.024 55.051 54.840 0.392 0.000 0.822 42 L CB -0.142 42.273 42.059 0.593 0.000 1.186 42 L HN 0.597 nan 8.230 nan 0.000 0.436 43 L N 6.541 127.848 121.223 0.140 0.000 2.296 43 L HA 0.635 4.975 4.340 -0.000 0.000 0.286 43 L C 0.016 176.967 176.870 0.134 0.000 1.023 43 L CA -0.506 54.388 54.840 0.090 0.000 0.812 43 L CB 1.163 43.215 42.059 -0.012 0.000 1.223 43 L HN 0.618 nan 8.230 nan 0.000 0.421 44 R N 1.991 122.576 120.500 0.143 0.000 2.771 44 R HA 0.693 5.033 4.340 -0.000 0.000 0.274 44 R C -1.546 174.844 176.300 0.150 0.000 0.987 44 R CA -0.670 55.509 56.100 0.131 0.000 0.908 44 R CB 2.374 32.715 30.300 0.069 0.000 1.213 44 R HN 0.551 nan 8.270 nan 0.000 0.468 45 C N 0.660 120.040 119.300 0.133 0.000 2.561 45 C HA 0.955 5.415 4.460 -0.000 0.000 0.319 45 C C 0.366 175.385 174.990 0.048 0.000 1.198 45 C CA -0.455 58.642 59.018 0.133 0.000 1.665 45 C CB 1.462 29.294 27.740 0.154 0.000 2.258 45 C HN 0.998 nan 8.230 nan 0.000 0.493 46 G N 1.945 110.753 108.800 0.012 0.000 2.623 46 G HA2 0.719 4.679 3.960 -0.000 0.000 0.290 46 G HA3 0.719 4.679 3.960 -0.000 0.000 0.290 46 G C -3.424 171.426 174.900 -0.083 0.000 1.437 46 G CA -0.726 44.256 45.100 -0.198 0.000 0.798 46 G HN 0.449 nan 8.290 nan 0.000 0.488 47 P HA 0.305 nan 4.420 nan 0.000 0.275 47 P C 0.393 177.525 177.300 -0.279 0.000 1.227 47 P CA 0.166 63.142 63.100 -0.206 0.000 0.781 47 P CB 1.970 33.527 31.700 -0.239 0.000 0.906 48 G N 1.729 110.372 108.800 -0.261 0.000 2.989 48 G HA2 0.236 4.196 3.960 -0.000 0.000 0.221 48 G HA3 0.236 4.196 3.960 -0.000 0.000 0.221 48 G C -0.561 174.456 174.900 0.195 0.000 1.050 48 G CA 0.194 45.269 45.100 -0.042 0.000 0.913 48 G HN 0.458 nan 8.290 nan 0.000 0.587 49 L N 0.256 121.491 121.223 0.020 0.000 2.404 49 L HA 0.705 5.045 4.340 -0.000 0.000 0.272 49 L C -0.848 176.036 176.870 0.023 0.000 0.980 49 L CA -0.982 53.935 54.840 0.128 0.000 0.836 49 L CB 1.319 43.440 42.059 0.104 0.000 1.238 49 L HN 0.010 nan 8.230 nan 0.000 0.408 50 F N 3.093 123.234 119.950 0.319 0.000 2.653 50 F HA 0.389 4.916 4.527 -0.000 0.000 0.304 50 F C 0.503 176.519 175.800 0.359 0.000 1.092 50 F CA -0.312 57.917 58.000 0.381 0.000 1.279 50 F CB 0.410 39.554 39.000 0.240 0.000 1.044 50 F HN 0.503 nan 8.300 nan 0.000 0.564 51 E N -0.296 120.114 120.200 0.349 0.000 2.390 51 E HA 0.382 4.732 4.350 -0.000 0.000 0.280 51 E C -1.593 174.974 176.600 -0.056 0.000 0.992 51 E CA -0.743 55.661 56.400 0.007 0.000 0.790 51 E CB 2.112 31.817 29.700 0.008 0.000 1.248 51 E HN -0.182 nan 8.360 nan 0.000 0.447 52 V N 2.317 122.095 119.914 -0.226 0.000 2.293 52 V HA 0.552 4.672 4.120 -0.000 0.000 0.275 52 V C 1.135 177.152 176.094 -0.128 0.000 1.021 52 V CA 0.504 62.712 62.300 -0.154 0.000 0.815 52 V CB -0.107 31.604 31.823 -0.186 0.000 1.025 52 V HN 1.092 nan 8.190 nan 0.000 0.448 53 G N 5.291 114.043 108.800 -0.080 0.000 2.565 53 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.295 53 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.295 53 G C 1.012 175.877 174.900 -0.058 0.000 1.165 53 G CA 0.750 45.813 45.100 -0.061 0.000 0.977 53 G HN 1.461 nan 8.290 nan 0.000 0.546 54 S N 0.678 116.341 115.700 -0.060 0.000 2.577 54 S HA 0.416 4.886 4.470 -0.000 0.000 0.219 54 S C 0.407 174.958 174.600 -0.081 0.000 0.962 54 S CA 0.909 59.077 58.200 -0.053 0.000 0.921 54 S CB 0.322 63.502 63.200 -0.035 0.000 0.789 54 S HN 0.645 nan 8.310 nan 0.000 0.497 55 E N 3.642 123.764 120.200 -0.130 0.000 2.109 55 E HA 0.352 4.702 4.350 -0.000 0.000 0.278 55 E C -2.681 173.729 176.600 -0.316 0.000 0.954 55 E CA -2.359 53.925 56.400 -0.193 0.000 0.779 55 E CB 1.265 30.844 29.700 -0.202 0.000 1.093 55 E HN 0.356 nan 8.360 nan 0.000 0.401 56 P HA 0.210 nan 4.420 nan 0.000 0.284 56 P C -0.888 176.038 177.300 -0.624 0.000 1.258 56 P CA -0.518 62.336 63.100 -0.410 0.000 0.824 56 P CB 0.689 32.163 31.700 -0.377 0.000 1.038 57 F N 1.068 120.899 119.950 -0.199 0.000 2.396 57 F HA 0.217 4.744 4.527 -0.000 0.000 0.343 57 F C 1.473 177.167 175.800 -0.177 0.000 1.104 57 F CA 0.212 58.137 58.000 -0.126 0.000 1.161 57 F CB 0.381 39.426 39.000 0.075 0.000 1.146 57 F HN 0.305 nan 8.300 nan 0.000 0.522 58 Y N -0.396 120.141 120.300 0.394 0.000 2.436 58 Y HA 0.030 4.580 4.550 -0.000 0.000 0.288 58 Y C 1.160 177.250 175.900 0.317 0.000 1.112 58 Y CA 0.619 58.922 58.100 0.337 0.000 1.220 58 Y CB -0.212 38.470 38.460 0.371 0.000 1.073 58 Y HN 0.427 nan 8.280 nan 0.000 0.552 59 H N -0.018 119.224 119.070 0.287 0.000 2.573 59 H HA 0.134 4.690 4.556 -0.000 0.000 0.351 59 H C 0.828 176.093 175.328 -0.105 0.000 1.163 59 H CA -0.582 55.429 56.048 -0.061 0.000 1.205 59 H CB 2.145 31.819 29.762 -0.146 0.000 1.605 59 H HN 0.172 nan 8.280 nan 0.000 0.525 60 L N 3.408 124.184 121.223 -0.744 0.000 2.137 60 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 60 L C 0.712 177.498 176.870 -0.140 0.000 1.085 60 L CA 1.810 56.344 54.840 -0.511 0.000 0.760 60 L CB -0.536 40.929 42.059 -0.990 0.000 0.893 60 L HN 0.455 nan 8.230 nan 0.000 0.434 61 F N -0.956 119.124 119.950 0.216 0.000 2.668 61 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 61 F C 1.438 177.290 175.800 0.087 0.000 1.124 61 F CA -0.470 57.556 58.000 0.044 0.000 1.353 61 F CB -0.571 38.215 39.000 -0.357 0.000 0.992 61 F HN 0.121 nan 8.300 nan 0.000 0.524 62 D N -0.519 120.000 120.400 0.198 0.000 2.379 62 D HA 0.105 4.745 4.640 -0.000 0.000 0.218 62 D C 1.713 177.676 176.300 -0.562 0.000 1.006 62 D CA 0.432 54.410 54.000 -0.037 0.000 0.893 62 D CB -0.179 40.704 40.800 0.138 0.000 1.019 62 D HN 0.170 nan 8.370 nan 0.000 0.503 63 G N 1.091 109.622 108.800 -0.449 0.000 2.614 63 G HA2 0.094 4.054 3.960 -0.000 0.000 0.239 63 G HA3 0.094 4.054 3.960 -0.000 0.000 0.239 63 G C 0.214 174.837 174.900 -0.463 0.000 1.240 63 G CA -0.331 44.353 45.100 -0.694 0.000 0.842 63 G HN -0.149 nan 8.290 nan 0.000 0.584 64 Q N -0.010 119.608 119.800 -0.303 0.000 2.313 64 Q HA 0.333 4.673 4.340 -0.000 0.000 0.266 64 Q C 0.694 176.736 176.000 0.070 0.000 0.989 64 Q CA -0.169 55.620 55.803 -0.023 0.000 0.890 64 Q CB 1.073 29.932 28.738 0.202 0.000 1.200 64 Q HN 0.693 nan 8.270 nan 0.000 0.396 65 A N 3.352 126.196 122.820 0.041 0.000 2.580 65 A HA 0.122 4.442 4.320 -0.000 0.000 0.244 65 A C -0.308 177.221 177.584 -0.091 0.000 1.045 65 A CA -0.023 52.014 52.037 0.000 0.000 0.761 65 A CB -0.160 18.848 19.000 0.013 0.000 0.962 65 A HN 0.544 nan 8.150 nan 0.000 0.512 66 L N 3.436 124.521 121.223 -0.229 0.000 2.362 66 L HA 0.674 5.014 4.340 -0.000 0.000 0.275 66 L C -0.920 175.713 176.870 -0.394 0.000 0.998 66 L CA -0.731 53.775 54.840 -0.556 0.000 0.820 66 L CB 1.812 43.392 42.059 -0.799 0.000 1.270 66 L HN 0.650 nan 8.230 nan 0.000 0.415 67 L N 5.414 126.358 121.223 -0.465 0.000 2.282 67 L HA 0.530 4.870 4.340 -0.000 0.000 0.288 67 L C -0.867 175.736 176.870 -0.446 0.000 1.033 67 L CA 0.179 54.837 54.840 -0.303 0.000 0.807 67 L CB 0.622 42.534 42.059 -0.244 0.000 1.209 67 L HN 0.602 nan 8.230 nan 0.000 0.423 68 H N 4.229 123.180 119.070 -0.199 0.000 2.569 68 H HA 0.474 5.030 4.556 -0.000 0.000 0.357 68 H C -1.029 174.210 175.328 -0.148 0.000 1.153 68 H CA -0.975 54.959 56.048 -0.190 0.000 1.193 68 H CB 2.350 32.112 29.762 -0.001 0.000 1.602 68 H HN 0.478 nan 8.280 nan 0.000 0.523 69 K N 2.534 122.858 120.400 -0.127 0.000 2.565 69 K HA 0.302 4.622 4.320 -0.000 0.000 0.249 69 K C -1.833 174.667 176.600 -0.167 0.000 0.958 69 K CA -0.494 55.742 56.287 -0.083 0.000 0.806 69 K CB 1.195 33.619 32.500 -0.126 0.000 1.194 69 K HN 0.275 nan 8.250 nan 0.000 0.434 70 F N 2.694 122.711 119.950 0.111 0.000 2.388 70 F HA 0.293 4.820 4.527 -0.000 0.000 0.358 70 F C 0.122 175.823 175.800 -0.166 0.000 1.122 70 F CA -0.472 57.507 58.000 -0.035 0.000 1.056 70 F CB 1.298 40.261 39.000 -0.062 0.000 1.155 70 F HN 0.380 nan 8.300 nan 0.000 0.461 71 D N 3.656 123.980 120.400 -0.127 0.000 2.198 71 D HA 0.310 4.949 4.640 -0.000 0.000 0.245 71 D C -0.855 175.268 176.300 -0.295 0.000 1.079 71 D CA -0.034 53.903 54.000 -0.106 0.000 0.854 71 D CB 1.198 41.958 40.800 -0.067 0.000 1.148 71 D HN 0.123 nan 8.370 nan 0.000 0.456 72 F N 1.650 121.661 119.950 0.103 0.000 2.449 72 F HA 0.388 4.915 4.527 -0.000 0.000 0.342 72 F C 0.655 176.492 175.800 0.062 0.000 1.127 72 F CA -0.796 57.257 58.000 0.089 0.000 0.975 72 F CB 1.545 40.609 39.000 0.106 0.000 1.146 72 F HN -0.062 nan 8.300 nan 0.000 0.444 73 K N 2.725 123.239 120.400 0.191 0.000 2.581 73 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 73 K C -0.449 176.252 176.600 0.169 0.000 0.966 73 K CA -0.422 55.949 56.287 0.141 0.000 0.811 73 K CB 1.051 33.597 32.500 0.077 0.000 1.223 73 K HN 0.735 nan 8.250 nan 0.000 0.438 74 E N 2.304 122.584 120.200 0.134 0.000 2.328 74 E HA -0.287 4.063 4.350 -0.000 0.000 0.233 74 E C 0.415 177.122 176.600 0.178 0.000 1.219 74 E CA 0.903 57.392 56.400 0.147 0.000 0.717 74 E CB -1.306 28.483 29.700 0.147 0.000 1.210 74 E HN 1.143 nan 8.360 nan 0.000 0.381 75 G N -0.411 108.423 108.800 0.056 0.000 2.176 75 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.253 75 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.253 75 G C -0.107 174.647 174.900 -0.242 0.000 0.979 75 G CA 0.663 45.700 45.100 -0.106 0.000 0.641 75 G HN 0.501 nan 8.290 nan 0.000 0.530 76 H N -1.203 117.863 119.070 -0.006 0.000 2.533 76 H HA 0.749 5.305 4.556 -0.000 0.000 0.343 76 H C -0.211 175.083 175.328 -0.056 0.000 1.160 76 H CA -0.501 55.530 56.048 -0.029 0.000 1.218 76 H CB 2.231 31.977 29.762 -0.026 0.000 1.566 76 H HN 0.234 nan 8.280 nan 0.000 0.522 77 V N 1.725 121.648 119.914 0.015 0.000 2.760 77 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 77 V C -0.285 175.788 176.094 -0.035 0.000 1.077 77 V CA -0.849 61.380 62.300 -0.118 0.000 0.910 77 V CB 1.983 33.692 31.823 -0.189 0.000 1.008 77 V HN 1.042 nan 8.190 nan 0.000 0.424 78 T N 0.961 115.477 114.554 -0.062 0.000 2.924 78 T HA 0.774 5.124 4.350 -0.000 0.000 0.291 78 T C -1.310 173.385 174.700 -0.009 0.000 1.045 78 T CA -0.734 61.354 62.100 -0.021 0.000 1.015 78 T CB 2.193 71.021 68.868 -0.066 0.000 1.103 78 T HN 0.611 nan 8.240 nan 0.000 0.496 79 Y N 1.234 121.417 120.300 -0.196 0.000 2.425 79 Y HA 0.676 5.226 4.550 -0.000 0.000 0.344 79 Y C -1.126 174.650 175.900 -0.208 0.000 0.969 79 Y CA -1.095 56.763 58.100 -0.404 0.000 1.052 79 Y CB 1.615 39.803 38.460 -0.453 0.000 1.215 79 Y HN 1.077 nan 8.280 nan 0.000 0.451 80 H N 4.480 122.939 119.070 -1.019 0.000 2.930 80 H HA 0.729 5.285 4.556 -0.000 0.000 0.371 80 H C -1.512 173.231 175.328 -0.974 0.000 1.169 80 H CA -1.040 54.506 56.048 -0.836 0.000 1.157 80 H CB 1.577 31.068 29.762 -0.451 0.000 1.789 80 H HN 0.811 nan 8.280 nan 0.000 0.547 81 R N 2.780 122.680 120.500 -0.999 0.000 2.604 81 R HA 0.763 5.103 4.340 -0.000 0.000 0.270 81 R C -1.374 174.406 176.300 -0.867 0.000 1.052 81 R CA -1.221 54.315 56.100 -0.941 0.000 0.902 81 R CB 2.131 31.908 30.300 -0.872 0.000 1.233 81 R HN 0.326 nan 8.270 nan 0.000 0.455 82 R N 2.156 122.203 120.500 -0.754 0.000 2.604 82 R HA 0.348 4.688 4.340 -0.000 0.000 0.281 82 R C -1.100 174.884 176.300 -0.527 0.000 1.020 82 R CA -0.943 54.836 56.100 -0.535 0.000 0.899 82 R CB 1.379 31.421 30.300 -0.430 0.000 1.205 82 R HN 0.491 nan 8.270 nan 0.000 0.450 83 F N 2.146 121.858 119.950 -0.397 0.000 2.563 83 F HA 0.182 4.709 4.527 -0.000 0.000 0.363 83 F C 1.441 176.946 175.800 -0.492 0.000 1.123 83 F CA 0.206 57.887 58.000 -0.532 0.000 1.307 83 F CB 0.398 38.876 39.000 -0.871 0.000 1.115 83 F HN 0.242 nan 8.300 nan 0.000 0.592 84 I N 4.929 125.346 120.570 -0.254 0.000 2.452 84 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 84 I C 0.395 176.406 176.117 -0.177 0.000 1.079 84 I CA -0.615 60.580 61.300 -0.176 0.000 1.387 84 I CB 0.489 38.428 38.000 -0.103 0.000 1.404 84 I HN 0.335 nan 8.210 nan 0.000 0.522 85 R N 5.095 125.550 120.500 -0.075 0.000 4.154 85 R HA 0.087 4.427 4.340 -0.000 0.000 0.186 85 R C 0.406 176.749 176.300 0.071 0.000 1.750 85 R CA -0.183 55.950 56.100 0.054 0.000 1.431 85 R CB -1.389 28.948 30.300 0.061 0.000 1.383 85 R HN 0.675 nan 8.270 nan 0.000 0.788 86 T N -3.064 111.543 114.554 0.088 0.000 2.754 86 T HA 0.110 4.460 4.350 -0.000 0.000 0.286 86 T C 0.973 175.713 174.700 0.068 0.000 0.997 86 T CA -0.714 61.425 62.100 0.064 0.000 0.982 86 T CB 1.183 70.093 68.868 0.069 0.000 1.027 86 T HN 0.121 nan 8.240 nan 0.000 0.529 87 D N 0.601 120.999 120.400 -0.002 0.000 2.149 87 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 87 D C 2.340 178.657 176.300 0.027 0.000 0.990 87 D CA 1.653 55.643 54.000 -0.017 0.000 0.839 87 D CB -0.822 39.919 40.800 -0.100 0.000 0.948 87 D HN 0.722 nan 8.370 nan 0.000 0.460 88 A N 0.103 122.958 122.820 0.059 0.000 1.877 88 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 88 A C 2.236 179.894 177.584 0.124 0.000 1.186 88 A CA 1.423 53.522 52.037 0.103 0.000 0.620 88 A CB -1.059 18.019 19.000 0.130 0.000 0.822 88 A HN 0.345 nan 8.150 nan 0.000 0.443 89 Y N 0.251 120.561 120.300 0.016 0.000 2.184 89 Y HA -0.105 4.445 4.550 -0.000 0.000 0.290 89 Y C 2.407 178.293 175.900 -0.023 0.000 1.129 89 Y CA 1.772 59.868 58.100 -0.007 0.000 1.144 89 Y CB -0.311 38.142 38.460 -0.013 0.000 0.995 89 Y HN 0.052 nan 8.280 nan 0.000 0.513 90 V N 1.051 121.003 119.914 0.064 0.000 2.295 90 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 90 V C 2.391 178.434 176.094 -0.086 0.000 1.049 90 V CA 2.405 64.690 62.300 -0.024 0.000 1.024 90 V CB -0.581 31.266 31.823 0.040 0.000 0.648 90 V HN 0.360 nan 8.190 nan 0.000 0.447 91 R N 0.045 120.518 120.500 -0.045 0.000 2.081 91 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 91 R C 2.442 178.700 176.300 -0.071 0.000 1.131 91 R CA 1.388 57.462 56.100 -0.043 0.000 0.960 91 R CB -0.635 29.658 30.300 -0.012 0.000 0.856 91 R HN 0.534 nan 8.270 nan 0.000 0.436 92 A N 1.170 123.938 122.820 -0.088 0.000 1.908 92 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 92 A C 2.129 179.595 177.584 -0.196 0.000 1.181 92 A CA 1.364 53.330 52.037 -0.119 0.000 0.627 92 A CB -0.289 18.653 19.000 -0.096 0.000 0.818 92 A HN 0.114 nan 8.150 nan 0.000 0.445 93 M N -0.601 118.819 119.600 -0.300 0.000 2.175 93 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 93 M C 2.115 178.318 176.300 -0.163 0.000 1.063 93 M CA 1.826 56.951 55.300 -0.292 0.000 1.119 93 M CB -1.819 30.550 32.600 -0.385 0.000 1.377 93 M HN 0.429 nan 8.290 nan 0.000 0.415 94 T N 0.477 114.956 114.554 -0.125 0.000 2.809 94 T HA -0.058 4.292 4.350 -0.000 0.000 0.260 94 T C 1.587 176.248 174.700 -0.065 0.000 1.039 94 T CA 1.045 63.099 62.100 -0.078 0.000 1.141 94 T CB -0.031 68.803 68.868 -0.056 0.000 0.869 94 T HN 0.432 nan 8.240 nan 0.000 0.437 95 E N 1.021 121.183 120.200 -0.064 0.000 2.478 95 E HA 0.066 4.416 4.350 -0.000 0.000 0.194 95 E C 0.154 176.719 176.600 -0.058 0.000 1.045 95 E CA 0.064 56.434 56.400 -0.050 0.000 0.868 95 E CB 0.062 29.740 29.700 -0.037 0.000 0.885 95 E HN 0.474 nan 8.360 nan 0.000 0.505 96 K N 0.701 121.054 120.400 -0.079 0.000 3.069 96 K HA -0.245 4.075 4.320 -0.000 0.000 0.267 96 K C 0.027 176.579 176.600 -0.080 0.000 1.082 96 K CA 0.889 57.126 56.287 -0.084 0.000 0.782 96 K CB -1.608 30.852 32.500 -0.067 0.000 1.230 96 K HN 0.340 nan 8.250 nan 0.000 0.488 97 R N -1.230 119.221 120.500 -0.080 0.000 2.747 97 R HA 0.534 4.874 4.340 -0.000 0.000 0.272 97 R C -0.754 175.498 176.300 -0.079 0.000 1.032 97 R CA -1.222 54.828 56.100 -0.083 0.000 0.896 97 R CB 0.790 31.055 30.300 -0.058 0.000 1.253 97 R HN 0.008 nan 8.270 nan 0.000 0.461 98 I N 2.443 122.953 120.570 -0.100 0.000 2.436 98 I HA 0.036 4.206 4.170 -0.000 0.000 0.289 98 I C 0.737 176.864 176.117 0.016 0.000 1.083 98 I CA -0.322 60.946 61.300 -0.052 0.000 1.372 98 I CB 1.365 39.283 38.000 -0.136 0.000 1.408 98 I HN 0.453 nan 8.210 nan 0.000 0.516 99 V N 6.718 126.663 119.914 0.052 0.000 2.795 99 V HA 0.131 4.251 4.120 -0.000 0.000 0.243 99 V C 0.787 176.934 176.094 0.088 0.000 1.069 99 V CA 0.668 63.000 62.300 0.052 0.000 1.089 99 V CB 0.176 32.018 31.823 0.031 0.000 0.756 99 V HN 0.495 nan 8.190 nan 0.000 0.471 100 I N 0.951 121.599 120.570 0.131 0.000 2.359 100 I HA 0.270 4.440 4.170 -0.000 0.000 0.294 100 I C 0.333 176.588 176.117 0.229 0.000 0.987 100 I CA 0.171 61.569 61.300 0.163 0.000 1.225 100 I CB 1.254 39.350 38.000 0.159 0.000 1.366 100 I HN 0.127 nan 8.210 nan 0.000 0.466 101 T N 6.605 121.299 114.554 0.233 0.000 2.902 101 T HA 0.091 4.441 4.350 -0.000 0.000 0.301 101 T C 0.379 175.335 174.700 0.427 0.000 1.012 101 T CA -0.124 62.149 62.100 0.288 0.000 1.151 101 T CB 0.504 69.492 68.868 0.200 0.000 0.946 101 T HN 0.376 nan 8.240 nan 0.000 0.542 102 E N 1.571 122.033 120.200 0.437 0.000 2.243 102 E HA 0.264 4.614 4.350 -0.000 0.000 0.260 102 E C 0.899 177.811 176.600 0.520 0.000 0.985 102 E CA -0.843 55.808 56.400 0.419 0.000 0.858 102 E CB 0.781 30.672 29.700 0.319 0.000 1.210 102 E HN 0.516 nan 8.360 nan 0.000 0.411 103 F N 1.714 121.798 119.950 0.222 0.000 2.053 103 F HA -0.258 4.269 4.527 -0.000 0.000 0.295 103 F C 1.562 177.540 175.800 0.298 0.000 1.102 103 F CA 2.697 60.833 58.000 0.227 0.000 1.225 103 F CB -0.146 38.885 39.000 0.052 0.000 0.961 103 F HN 0.548 nan 8.300 nan 0.000 0.495 104 G N -1.231 107.704 108.800 0.226 0.000 3.651 104 G HA2 0.308 4.268 3.960 -0.000 0.000 0.279 104 G HA3 0.308 4.268 3.960 -0.000 0.000 0.279 104 G C -0.612 174.530 174.900 0.402 0.000 1.024 104 G CA 0.370 45.565 45.100 0.157 0.000 0.813 104 G HN 0.269 nan 8.290 nan 0.000 0.518 105 T N 0.641 115.450 114.554 0.425 0.000 2.890 105 T HA 0.288 4.637 4.350 -0.000 0.000 0.295 105 T C -0.339 174.568 174.700 0.344 0.000 0.993 105 T CA -0.421 61.967 62.100 0.479 0.000 0.979 105 T CB 1.336 70.526 68.868 0.537 0.000 0.967 105 T HN 0.059 nan 8.240 nan 0.000 0.441 106 C N 3.491 122.950 119.300 0.265 0.000 2.585 106 C HA 0.713 5.173 4.460 -0.000 0.000 0.406 106 C C 1.578 176.664 174.990 0.160 0.000 1.312 106 C CA -0.519 58.604 59.018 0.175 0.000 1.924 106 C CB -0.865 26.944 27.740 0.115 0.000 2.578 106 C HN 1.056 nan 8.230 nan 0.000 0.580 128 V N 2.176 122.297 119.914 0.346 0.000 2.614 128 V HA 0.126 4.246 4.120 -0.000 0.000 0.291 128 V C 0.896 177.253 176.094 0.437 0.000 1.049 128 V CA 0.140 62.715 62.300 0.458 0.000 1.038 128 V CB 1.450 33.556 31.823 0.472 0.000 0.980 128 V HN 0.676 nan 8.190 nan 0.000 0.481 129 T N 2.865 117.662 114.554 0.404 0.000 2.928 129 T HA 0.036 4.386 4.350 -0.000 0.000 0.305 129 T C 0.609 175.471 174.700 0.270 0.000 1.035 129 T CA -0.006 62.254 62.100 0.267 0.000 1.145 129 T CB 0.158 69.153 68.868 0.211 0.000 0.963 129 T HN 0.970 nan 8.240 nan 0.000 0.545 130 D N 2.879 123.371 120.400 0.153 0.000 2.501 130 D HA 0.020 4.660 4.640 -0.000 0.000 0.224 130 D C 0.306 176.675 176.300 0.115 0.000 1.202 130 D CA -0.453 53.636 54.000 0.148 0.000 0.829 130 D CB -0.438 40.319 40.800 -0.071 0.000 1.023 130 D HN 0.408 nan 8.370 nan 0.000 0.499 131 N N 1.549 120.314 118.700 0.108 0.000 2.394 131 N HA 0.068 4.808 4.740 -0.000 0.000 0.288 131 N C -0.131 175.435 175.510 0.093 0.000 1.272 131 N CA -0.013 53.089 53.050 0.087 0.000 1.004 131 N CB 0.327 38.853 38.487 0.064 0.000 1.393 131 N HN 0.207 nan 8.380 nan 0.000 0.488 132 A N 4.628 127.503 122.820 0.092 0.000 3.074 132 A HA 0.132 4.452 4.320 -0.000 0.000 0.251 132 A C 1.488 179.138 177.584 0.110 0.000 1.695 132 A CA -0.480 51.620 52.037 0.104 0.000 1.343 132 A CB -1.003 18.056 19.000 0.099 0.000 1.078 132 A HN 0.834 nan 8.150 nan 0.000 0.644 133 L N -2.225 119.081 121.223 0.138 0.000 2.591 133 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 133 L C 0.871 177.942 176.870 0.335 0.000 1.133 133 L CA 0.379 55.334 54.840 0.191 0.000 0.880 133 L CB -0.179 42.010 42.059 0.216 0.000 1.033 133 L HN 0.152 nan 8.230 nan 0.000 0.450 134 V N -0.201 119.886 119.914 0.288 0.000 2.521 134 V HA 0.207 4.327 4.120 -0.000 0.000 0.239 134 V C 0.640 176.957 176.094 0.372 0.000 1.053 134 V CA 0.834 63.351 62.300 0.362 0.000 1.073 134 V CB -0.329 31.593 31.823 0.166 0.000 0.746 134 V HN 0.574 nan 8.190 nan 0.000 0.476 135 N N -1.685 117.164 118.700 0.248 0.000 2.934 135 N HA 0.497 5.237 4.740 -0.000 0.000 0.253 135 N C -1.786 173.859 175.510 0.224 0.000 1.466 135 N CA -0.493 52.705 53.050 0.247 0.000 0.858 135 N CB 2.518 41.085 38.487 0.134 0.000 1.459 135 N HN 0.175 nan 8.380 nan 0.000 0.532 136 I N 1.509 122.225 120.570 0.243 0.000 2.582 136 I HA 0.598 4.768 4.170 -0.000 0.000 0.292 136 I C -1.596 174.721 176.117 0.332 0.000 1.066 136 I CA -0.709 60.722 61.300 0.218 0.000 1.053 136 I CB 1.283 39.377 38.000 0.157 0.000 1.241 136 I HN 0.652 nan 8.210 nan 0.000 0.421 137 Y N 5.459 125.879 120.300 0.200 0.000 2.609 137 Y HA 0.781 5.330 4.550 -0.000 0.000 0.336 137 Y C -3.130 172.817 175.900 0.078 0.000 1.129 137 Y CA -2.645 55.544 58.100 0.149 0.000 1.040 137 Y CB 1.065 39.570 38.460 0.075 0.000 1.310 137 Y HN 0.249 nan 8.280 nan 0.000 0.460 138 P HA 0.382 nan 4.420 nan 0.000 0.290 138 P C -1.194 176.093 177.300 -0.022 0.000 1.276 138 P CA -0.397 62.501 63.100 -0.336 0.000 0.808 138 P CB 2.420 33.864 31.700 -0.426 0.000 0.966 139 V N 2.900 122.785 119.914 -0.049 0.000 2.525 139 V HA 0.539 4.659 4.120 -0.000 0.000 0.299 139 V C 1.118 177.211 176.094 -0.002 0.000 1.034 139 V CA 0.330 62.660 62.300 0.049 0.000 0.863 139 V CB 0.767 32.656 31.823 0.111 0.000 0.999 139 V HN 1.019 nan 8.190 nan 0.000 0.423 140 G N 4.703 113.495 108.800 -0.013 0.000 2.651 140 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.315 140 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.315 140 G C 0.596 175.467 174.900 -0.049 0.000 1.258 140 G CA 0.987 46.076 45.100 -0.019 0.000 1.002 140 G HN 0.739 nan 8.290 nan 0.000 0.551 141 E N 1.455 121.637 120.200 -0.031 0.000 2.479 141 E HA 0.150 4.500 4.350 -0.000 0.000 0.193 141 E C -0.141 176.435 176.600 -0.040 0.000 1.049 141 E CA 0.103 56.489 56.400 -0.024 0.000 0.870 141 E CB 0.144 29.851 29.700 0.011 0.000 0.944 141 E HN 0.444 nan 8.360 nan 0.000 0.492 142 D N -0.423 119.920 120.400 -0.094 0.000 2.332 142 D HA 0.242 4.882 4.640 -0.000 0.000 0.252 142 D C -0.607 175.501 176.300 -0.319 0.000 1.050 142 D CA -0.129 53.794 54.000 -0.128 0.000 0.970 142 D CB 0.918 41.640 40.800 -0.130 0.000 1.141 142 D HN -0.098 nan 8.370 nan 0.000 0.485 143 Y N -0.241 119.895 120.300 -0.273 0.000 2.425 143 Y HA 0.376 4.925 4.550 -0.000 0.000 0.344 143 Y C -0.781 174.817 175.900 -0.504 0.000 0.969 143 Y CA -0.808 57.149 58.100 -0.239 0.000 1.052 143 Y CB 1.562 39.934 38.460 -0.146 0.000 1.215 143 Y HN 0.195 nan 8.280 nan 0.000 0.451 144 Y N 1.196 121.386 120.300 -0.184 0.000 2.361 144 Y HA 0.693 5.243 4.550 -0.000 0.000 0.337 144 Y C 0.047 175.794 175.900 -0.255 0.000 0.965 144 Y CA -1.186 56.746 58.100 -0.279 0.000 1.091 144 Y CB 1.726 39.881 38.460 -0.509 0.000 1.182 144 Y HN 0.708 nan 8.280 nan 0.000 0.450 145 A N 2.416 125.251 122.820 0.026 0.000 2.316 145 A HA 0.763 5.083 4.320 -0.000 0.000 0.284 145 A C -0.242 177.404 177.584 0.104 0.000 1.115 145 A CA -0.269 51.805 52.037 0.062 0.000 0.812 145 A CB -0.001 19.026 19.000 0.045 0.000 1.064 145 A HN 1.019 nan 8.150 nan 0.000 0.489 146 C N -0.303 119.081 119.300 0.141 0.000 3.173 146 C HA 0.910 5.370 4.460 -0.000 0.000 0.310 146 C C 0.296 175.371 174.990 0.141 0.000 1.306 146 C CA 0.182 59.299 59.018 0.165 0.000 1.426 146 C CB 0.853 28.743 27.740 0.251 0.000 1.800 146 C HN 1.125 nan 8.230 nan 0.000 0.470 147 T N -0.719 113.910 114.554 0.124 0.000 2.747 147 T HA 0.484 4.834 4.350 -0.000 0.000 0.236 147 T C 0.265 175.000 174.700 0.059 0.000 1.046 147 T CA 0.080 62.229 62.100 0.081 0.000 1.054 147 T CB 0.788 69.703 68.868 0.078 0.000 2.287 147 T HN 0.850 nan 8.240 nan 0.000 0.523 148 E N 1.037 121.268 120.200 0.052 0.000 2.651 148 E HA 0.226 4.576 4.350 -0.000 0.000 0.208 148 E C 0.075 176.721 176.600 0.078 0.000 0.997 148 E CA -0.266 56.169 56.400 0.059 0.000 1.020 148 E CB 0.865 30.624 29.700 0.099 0.000 1.052 148 E HN 0.675 nan 8.360 nan 0.000 0.465 149 T N -1.393 113.212 114.554 0.085 0.000 2.864 149 T HA 0.094 4.444 4.350 -0.000 0.000 0.276 149 T C 1.203 175.914 174.700 0.018 0.000 1.006 149 T CA -0.671 61.477 62.100 0.081 0.000 0.970 149 T CB 0.664 69.621 68.868 0.149 0.000 1.420 149 T HN -0.026 nan 8.240 nan 0.000 0.601 150 N N -0.507 118.131 118.700 -0.103 0.000 2.512 150 N HA -0.001 4.739 4.740 -0.000 0.000 0.183 150 N C -0.510 174.824 175.510 -0.292 0.000 1.073 150 N CA 0.279 53.180 53.050 -0.249 0.000 0.911 150 N CB -0.459 37.784 38.487 -0.407 0.000 0.964 150 N HN 0.485 nan 8.380 nan 0.000 0.447 151 F N 2.197 122.202 119.950 0.091 0.000 2.404 151 F HA 0.493 5.020 4.527 -0.000 0.000 0.354 151 F C 0.784 176.640 175.800 0.093 0.000 1.122 151 F CA -1.317 56.739 58.000 0.094 0.000 1.080 151 F CB 0.997 40.055 39.000 0.098 0.000 1.131 151 F HN -0.096 nan 8.300 nan 0.000 0.471 152 I N -0.825 119.909 120.570 0.274 0.000 2.910 152 I HA 0.779 4.949 4.170 -0.000 0.000 0.310 152 I C -0.812 175.474 176.117 0.281 0.000 1.043 152 I CA -0.685 60.747 61.300 0.220 0.000 1.053 152 I CB 2.453 40.513 38.000 0.099 0.000 1.242 152 I HN 0.304 nan 8.210 nan 0.000 0.452 153 T N 2.902 117.614 114.554 0.263 0.000 2.864 153 T HA 0.265 4.615 4.350 -0.000 0.000 0.299 153 T C -0.345 174.405 174.700 0.084 0.000 1.011 153 T CA -0.577 61.630 62.100 0.178 0.000 0.975 153 T CB 0.945 69.868 68.868 0.091 0.000 0.962 153 T HN 0.558 nan 8.240 nan 0.000 0.448 154 K N 3.325 123.706 120.400 -0.032 0.000 2.451 154 K HA 0.381 4.701 4.320 -0.000 0.000 0.280 154 K C -0.071 176.397 176.600 -0.220 0.000 1.020 154 K CA -0.213 55.815 56.287 -0.432 0.000 1.008 154 K CB 0.273 32.506 32.500 -0.444 0.000 0.917 154 K HN 0.519 nan 8.250 nan 0.000 0.478 155 V N 0.903 120.679 119.914 -0.230 0.000 2.962 155 V HA 0.405 4.524 4.120 -0.000 0.000 0.313 155 V C -0.699 175.322 176.094 -0.122 0.000 1.099 155 V CA -1.290 60.928 62.300 -0.138 0.000 0.971 155 V CB 1.815 33.572 31.823 -0.111 0.000 1.028 155 V HN 0.767 nan 8.190 nan 0.000 0.430 156 N N 3.927 122.562 118.700 -0.108 0.000 2.414 156 N HA 0.408 5.148 4.740 -0.000 0.000 0.256 156 N C -1.701 173.728 175.510 -0.135 0.000 1.029 156 N CA -1.968 51.023 53.050 -0.098 0.000 0.948 156 N CB 2.017 40.458 38.487 -0.078 0.000 1.102 156 N HN 0.605 nan 8.380 nan 0.000 0.496 157 P HA 0.012 nan 4.420 nan 0.000 0.233 157 P C 0.164 177.341 177.300 -0.205 0.000 1.167 157 P CA 0.901 63.828 63.100 -0.288 0.000 0.770 157 P CB 0.768 32.124 31.700 -0.572 0.000 0.837 158 E N -0.265 119.851 120.200 -0.139 0.000 2.127 158 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 158 E C 2.014 178.572 176.600 -0.070 0.000 0.964 158 E CA 1.708 58.047 56.400 -0.101 0.000 0.832 158 E CB -0.740 28.914 29.700 -0.077 0.000 0.790 158 E HN 0.305 nan 8.360 nan 0.000 0.465 159 T N -2.071 112.446 114.554 -0.062 0.000 3.014 159 T HA 0.187 4.537 4.350 -0.000 0.000 0.250 159 T C 0.983 175.665 174.700 -0.029 0.000 1.060 159 T CA -0.006 62.080 62.100 -0.022 0.000 1.040 159 T CB 0.060 68.910 68.868 -0.031 0.000 0.971 159 T HN 0.151 nan 8.240 nan 0.000 0.497 160 L N -0.217 120.945 121.223 -0.103 0.000 4.496 160 L HA -0.171 4.169 4.340 -0.000 0.000 0.419 160 L C -0.182 176.599 176.870 -0.150 0.000 1.139 160 L CA 0.319 55.055 54.840 -0.173 0.000 0.975 160 L CB -2.473 39.400 42.059 -0.310 0.000 2.099 160 L HN 0.454 nan 8.230 nan 0.000 0.818 161 E N 0.313 120.455 120.200 -0.097 0.000 2.390 161 E HA 0.266 4.616 4.350 -0.000 0.000 0.261 161 E C 0.523 177.075 176.600 -0.080 0.000 1.076 161 E CA 0.014 56.369 56.400 -0.076 0.000 0.905 161 E CB 0.611 30.281 29.700 -0.049 0.000 0.984 161 E HN 0.009 nan 8.360 nan 0.000 0.427 162 T N 2.523 117.038 114.554 -0.065 0.000 2.817 162 T HA 0.216 4.566 4.350 -0.000 0.000 0.293 162 T C 1.017 175.693 174.700 -0.039 0.000 0.964 162 T CA -0.218 61.849 62.100 -0.055 0.000 1.085 162 T CB 0.454 69.299 68.868 -0.037 0.000 0.921 162 T HN 0.364 nan 8.240 nan 0.000 0.502 163 I N 1.804 122.346 120.570 -0.047 0.000 2.681 163 I HA 0.233 4.403 4.170 -0.000 0.000 0.247 163 I C 1.003 177.115 176.117 -0.008 0.000 1.091 163 I CA 0.324 61.602 61.300 -0.036 0.000 1.442 163 I CB 0.203 38.165 38.000 -0.062 0.000 1.219 163 I HN 0.582 nan 8.210 nan 0.000 0.451 164 K N 0.246 120.648 120.400 0.004 0.000 2.571 164 K HA 0.386 4.706 4.320 -0.000 0.000 0.289 164 K C -1.203 175.448 176.600 0.086 0.000 1.028 164 K CA -0.864 55.451 56.287 0.046 0.000 0.895 164 K CB 1.605 34.145 32.500 0.067 0.000 1.534 164 K HN -0.137 nan 8.250 nan 0.000 0.421 165 Q N 1.549 121.414 119.800 0.108 0.000 2.293 165 Q HA 0.440 4.780 4.340 -0.000 0.000 0.261 165 Q C -1.515 174.622 176.000 0.228 0.000 0.960 165 Q CA -0.923 54.973 55.803 0.155 0.000 0.882 165 Q CB 1.994 30.779 28.738 0.078 0.000 1.275 165 Q HN 0.473 nan 8.270 nan 0.000 0.445 166 V N 3.634 123.727 119.914 0.297 0.000 2.495 166 V HA 0.192 4.312 4.120 -0.000 0.000 0.298 166 V C -0.708 175.587 176.094 0.335 0.000 1.031 166 V CA -0.719 61.764 62.300 0.304 0.000 0.871 166 V CB 1.860 33.834 31.823 0.250 0.000 0.988 166 V HN 0.757 nan 8.190 nan 0.000 0.432 167 D N 3.982 124.564 120.400 0.302 0.000 2.412 167 D HA 0.319 4.959 4.640 -0.000 0.000 0.224 167 D C 1.007 177.364 176.300 0.096 0.000 1.093 167 D CA -0.217 53.864 54.000 0.134 0.000 0.850 167 D CB 1.411 42.287 40.800 0.126 0.000 1.046 167 D HN 0.412 nan 8.370 nan 0.000 0.507 168 L N 2.346 123.591 121.223 0.037 0.000 2.187 168 L HA -0.193 4.146 4.340 -0.000 0.000 0.213 168 L C 2.314 179.223 176.870 0.064 0.000 1.100 168 L CA 0.648 55.548 54.840 0.100 0.000 0.765 168 L CB -0.291 41.776 42.059 0.013 0.000 0.904 168 L HN 0.515 nan 8.230 nan 0.000 0.437 169 C N -0.072 119.198 119.300 -0.051 0.000 2.419 169 C HA -0.109 4.351 4.460 -0.000 0.000 0.283 169 C C 2.508 177.447 174.990 -0.084 0.000 1.373 169 C CA 0.467 59.448 59.018 -0.061 0.000 1.781 169 C CB -1.286 26.398 27.740 -0.094 0.000 1.886 169 C HN 0.580 nan 8.230 nan 0.000 0.520 170 N N 0.197 118.801 118.700 -0.159 0.000 2.223 170 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 170 N C 1.182 176.437 175.510 -0.424 0.000 1.016 170 N CA 1.522 54.355 53.050 -0.362 0.000 0.863 170 N CB -0.289 37.833 38.487 -0.609 0.000 0.983 170 N HN 0.642 nan 8.380 nan 0.000 0.429 171 Y N -0.792 119.495 120.300 -0.021 0.000 2.558 171 Y HA 0.258 4.808 4.550 -0.000 0.000 0.273 171 Y C 0.818 176.702 175.900 -0.027 0.000 1.100 171 Y CA -0.341 57.745 58.100 -0.023 0.000 1.276 171 Y CB 0.500 38.943 38.460 -0.028 0.000 1.196 171 Y HN -0.203 nan 8.280 nan 0.000 0.527 172 V N -3.893 116.089 119.914 0.114 0.000 3.159 172 V HA 0.462 4.582 4.120 -0.000 0.000 0.308 172 V C -0.047 176.060 176.094 0.021 0.000 1.190 172 V CA -1.341 60.990 62.300 0.052 0.000 1.037 172 V CB 1.743 33.587 31.823 0.035 0.000 1.060 172 V HN -0.165 nan 8.190 nan 0.000 0.437 173 S N 1.650 117.356 115.700 0.011 0.000 4.183 173 S HA 0.501 4.971 4.470 -0.000 0.000 0.195 173 S C -0.206 174.394 174.600 -0.001 0.000 1.421 173 S CA 0.074 58.282 58.200 0.014 0.000 0.920 173 S CB -1.359 61.851 63.200 0.017 0.000 1.525 173 S HN 1.574 nan 8.310 nan 0.000 0.447 174 V N 1.610 121.519 119.914 -0.008 0.000 2.962 174 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 174 V C 0.402 176.481 176.094 -0.025 0.000 1.099 174 V CA -1.029 61.249 62.300 -0.036 0.000 0.971 174 V CB 1.845 33.638 31.823 -0.050 0.000 1.028 174 V HN 0.307 nan 8.190 nan 0.000 0.430 175 N N 1.691 120.362 118.700 -0.048 0.000 2.376 175 N HA 0.309 5.049 4.740 -0.000 0.000 0.177 175 N C 0.587 176.086 175.510 -0.018 0.000 1.024 175 N CA 1.379 54.418 53.050 -0.018 0.000 0.893 175 N CB 0.624 39.081 38.487 -0.050 0.000 0.980 175 N HN 1.120 nan 8.380 nan 0.000 0.439 176 G N -1.331 107.453 108.800 -0.027 0.000 2.606 176 G HA2 0.708 4.668 3.960 -0.000 0.000 0.300 176 G HA3 0.708 4.668 3.960 -0.000 0.000 0.300 176 G C -1.987 172.900 174.900 -0.020 0.000 1.360 176 G CA -0.019 45.076 45.100 -0.008 0.000 0.783 176 G HN 0.229 nan 8.290 nan 0.000 0.484 177 A N -0.444 122.372 122.820 -0.006 0.000 2.574 177 A HA 0.867 5.187 4.320 -0.000 0.000 0.297 177 A C 0.173 177.745 177.584 -0.020 0.000 1.062 177 A CA 0.285 52.307 52.037 -0.025 0.000 0.686 177 A CB 1.045 20.033 19.000 -0.021 0.000 1.285 177 A HN 2.097 nan 8.150 nan 0.000 0.403 178 T N -0.766 113.760 114.554 -0.048 0.000 2.748 178 T HA 0.477 4.827 4.350 -0.000 0.000 0.304 178 T C 1.031 175.667 174.700 -0.106 0.000 1.041 178 T CA 0.345 62.399 62.100 -0.077 0.000 1.033 178 T CB 0.990 69.828 68.868 -0.050 0.000 0.995 178 T HN 1.785 nan 8.240 nan 0.000 0.536 179 A N 0.279 122.966 122.820 -0.222 0.000 2.302 179 A HA 0.178 4.498 4.320 -0.000 0.000 0.219 179 A C 0.776 178.018 177.584 -0.570 0.000 1.243 179 A CA -0.170 51.691 52.037 -0.295 0.000 0.856 179 A CB -0.516 18.297 19.000 -0.313 0.000 0.893 179 A HN 0.891 nan 8.150 nan 0.000 0.491 180 H N 0.668 119.609 119.070 -0.215 0.000 2.471 180 H HA 0.221 4.777 4.556 -0.000 0.000 0.234 180 H C -2.795 172.380 175.328 -0.255 0.000 1.388 180 H CA -1.907 53.984 56.048 -0.263 0.000 1.198 180 H CB 0.094 29.714 29.762 -0.238 0.000 1.714 180 H HN 0.363 nan 8.280 nan 0.000 0.536 181 P HA -0.013 nan 4.420 nan 0.000 0.269 181 P C 0.176 177.349 177.300 -0.212 0.000 1.215 181 P CA 0.124 63.126 63.100 -0.163 0.000 0.780 181 P CB 1.319 32.709 31.700 -0.516 0.000 0.898 182 H N 1.877 120.986 119.070 0.065 0.000 2.502 182 H HA 0.311 4.867 4.556 -0.000 0.000 0.327 182 H C 0.096 175.544 175.328 0.201 0.000 1.099 182 H CA -0.147 55.959 56.048 0.098 0.000 1.323 182 H CB 0.859 30.635 29.762 0.024 0.000 1.450 182 H HN 0.249 nan 8.280 nan 0.000 0.502 183 I N 3.063 123.862 120.570 0.381 0.000 2.355 183 I HA 0.162 4.332 4.170 -0.000 0.000 0.288 183 I C 0.775 177.108 176.117 0.359 0.000 0.999 183 I CA -0.549 60.939 61.300 0.314 0.000 1.163 183 I CB 1.137 39.276 38.000 0.230 0.000 1.316 183 I HN 0.467 nan 8.210 nan 0.000 0.454 184 E N 4.103 124.465 120.200 0.271 0.000 2.374 184 E HA 0.114 4.464 4.350 -0.000 0.000 0.260 184 E C 0.657 177.344 176.600 0.146 0.000 1.101 184 E CA -0.415 56.096 56.400 0.185 0.000 0.907 184 E CB 0.976 30.786 29.700 0.184 0.000 1.014 184 E HN 0.369 nan 8.360 nan 0.000 0.427 185 N N 1.724 120.480 118.700 0.093 0.000 2.205 185 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 185 N C 0.979 176.536 175.510 0.077 0.000 1.015 185 N CA 1.282 54.382 53.050 0.082 0.000 0.862 185 N CB -0.220 38.293 38.487 0.042 0.000 0.986 185 N HN 0.505 nan 8.380 nan 0.000 0.429 186 D N -1.285 119.157 120.400 0.069 0.000 2.363 186 D HA 0.073 4.712 4.640 -0.000 0.000 0.226 186 D C 1.229 177.564 176.300 0.059 0.000 1.020 186 D CA 0.831 54.865 54.000 0.057 0.000 0.892 186 D CB -0.347 40.480 40.800 0.045 0.000 0.900 186 D HN 0.250 nan 8.370 nan 0.000 0.531 187 G N -0.711 108.138 108.800 0.081 0.000 2.176 187 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 187 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 187 G C 0.421 175.360 174.900 0.065 0.000 0.986 187 G CA 0.153 45.296 45.100 0.073 0.000 0.643 187 G HN 0.450 nan 8.290 nan 0.000 0.522 188 T N 1.167 115.760 114.554 0.066 0.000 2.908 188 T HA 0.414 4.764 4.350 -0.000 0.000 0.301 188 T C 0.419 175.163 174.700 0.074 0.000 1.019 188 T CA 0.500 62.617 62.100 0.030 0.000 1.152 188 T CB 2.042 70.933 68.868 0.038 0.000 0.966 188 T HN 0.595 nan 8.240 nan 0.000 0.540 189 V N 4.389 124.295 119.914 -0.014 0.000 2.448 189 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 189 V C -0.895 175.175 176.094 -0.040 0.000 1.025 189 V CA -0.903 61.426 62.300 0.049 0.000 0.859 189 V CB 0.932 32.780 31.823 0.042 0.000 0.988 189 V HN 0.767 nan 8.190 nan 0.000 0.431 190 Y N 3.371 123.762 120.300 0.152 0.000 2.409 190 Y HA 0.629 5.179 4.550 -0.000 0.000 0.339 190 Y C 0.424 176.473 175.900 0.249 0.000 1.033 190 Y CA -0.348 57.875 58.100 0.205 0.000 1.094 190 Y CB 2.003 40.671 38.460 0.346 0.000 1.210 190 Y HN 0.627 nan 8.280 nan 0.000 0.456 191 N N 1.525 120.344 118.700 0.197 0.000 2.774 191 N HA 0.539 5.279 4.740 -0.000 0.000 0.264 191 N C -1.979 173.333 175.510 -0.331 0.000 1.415 191 N CA -0.590 52.458 53.050 -0.003 0.000 0.815 191 N CB 2.306 40.776 38.487 -0.029 0.000 1.514 191 N HN 0.725 nan 8.380 nan 0.000 0.523 192 I N -0.277 120.036 120.570 -0.428 0.000 2.686 192 I HA 0.771 4.941 4.170 -0.000 0.000 0.295 192 I C -0.580 175.406 176.117 -0.218 0.000 1.114 192 I CA -0.496 60.555 61.300 -0.415 0.000 1.038 192 I CB 1.935 39.527 38.000 -0.679 0.000 1.238 192 I HN 0.580 nan 8.210 nan 0.000 0.420 193 G N 3.995 112.701 108.800 -0.156 0.000 2.718 193 G HA2 0.336 4.296 3.960 -0.000 0.000 0.295 193 G HA3 0.336 4.296 3.960 -0.000 0.000 0.295 193 G C -1.777 173.072 174.900 -0.085 0.000 1.421 193 G CA -0.916 44.127 45.100 -0.093 0.000 0.902 193 G HN 0.787 nan 8.290 nan 0.000 0.501 194 N N -1.456 117.190 118.700 -0.091 0.000 2.424 194 N HA 0.621 5.360 4.740 -0.000 0.000 0.257 194 N C -0.061 175.280 175.510 -0.282 0.000 1.250 194 N CA -0.322 52.585 53.050 -0.238 0.000 0.946 194 N CB 1.796 40.099 38.487 -0.307 0.000 1.175 194 N HN 0.868 nan 8.380 nan 0.000 0.477 195 C N -0.248 118.810 119.300 -0.404 0.000 3.295 195 C HA 0.513 4.973 4.460 -0.000 0.000 0.341 195 C C -0.970 173.713 174.990 -0.511 0.000 1.418 195 C CA -0.972 57.823 59.018 -0.372 0.000 1.240 195 C CB -0.162 27.480 27.740 -0.163 0.000 1.562 195 C HN 0.780 nan 8.230 nan 0.000 0.457 196 F N 2.627 122.527 119.950 -0.084 0.000 2.798 196 F HA 0.377 4.904 4.527 -0.000 0.000 0.291 196 F C 1.670 177.430 175.800 -0.067 0.000 1.174 196 F CA 0.539 58.498 58.000 -0.068 0.000 1.392 196 F CB -0.385 38.591 39.000 -0.041 0.000 0.966 196 F HN 0.845 nan 8.300 nan 0.000 0.509 202 I N 3.514 123.997 120.570 -0.144 0.000 2.575 202 I HA 0.580 4.750 4.170 -0.000 0.000 0.285 202 I C 0.784 176.697 176.117 -0.341 0.000 1.085 202 I CA 0.160 61.290 61.300 -0.283 0.000 1.403 202 I CB 0.887 38.693 38.000 -0.322 0.000 1.409 202 I HN 0.829 nan 8.210 nan 0.000 0.557 203 A N 6.573 129.137 122.820 -0.427 0.000 2.552 203 A HA 0.798 5.118 4.320 -0.000 0.000 0.288 203 A C -1.848 175.376 177.584 -0.599 0.000 1.193 203 A CA -0.499 51.276 52.037 -0.437 0.000 0.713 203 A CB 1.363 20.234 19.000 -0.215 0.000 1.305 203 A HN 0.503 nan 8.150 nan 0.000 0.424 204 Y N 0.254 120.432 120.300 -0.203 0.000 2.350 204 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 204 Y C 0.158 175.946 175.900 -0.186 0.000 0.961 204 Y CA -0.458 57.485 58.100 -0.263 0.000 1.100 204 Y CB 1.841 40.002 38.460 -0.498 0.000 1.179 204 Y HN 0.690 nan 8.280 nan 0.000 0.454 205 N N 3.103 121.773 118.700 -0.050 0.000 2.399 205 N HA 0.473 5.213 4.740 -0.000 0.000 0.295 205 N C -1.282 174.182 175.510 -0.077 0.000 1.048 205 N CA -0.737 52.273 53.050 -0.065 0.000 0.886 205 N CB 1.282 39.726 38.487 -0.073 0.000 1.185 205 N HN 0.359 nan 8.380 nan 0.000 0.487 206 I N 2.762 123.298 120.570 -0.057 0.000 2.342 206 I HA 0.229 4.398 4.170 -0.000 0.000 0.291 206 I C 0.078 176.184 176.117 -0.019 0.000 1.010 206 I CA -0.416 60.857 61.300 -0.045 0.000 1.308 206 I CB 1.041 39.069 38.000 0.046 0.000 1.400 206 I HN 0.204 nan 8.210 nan 0.000 0.488 207 V N 7.268 127.163 119.914 -0.033 0.000 2.483 207 V HA 0.387 4.507 4.120 -0.000 0.000 0.295 207 V C 0.153 176.195 176.094 -0.087 0.000 1.035 207 V CA -0.838 61.432 62.300 -0.050 0.000 0.896 207 V CB 2.171 33.959 31.823 -0.058 0.000 0.986 207 V HN 0.658 nan 8.190 nan 0.000 0.447 208 K N 4.923 125.219 120.400 -0.173 0.000 2.323 208 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 208 K C -1.361 175.097 176.600 -0.237 0.000 0.947 208 K CA -0.576 55.488 56.287 -0.372 0.000 0.819 208 K CB 1.342 33.546 32.500 -0.493 0.000 1.109 208 K HN 0.617 nan 8.250 nan 0.000 0.429 209 I N 6.947 127.384 120.570 -0.221 0.000 2.362 209 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 209 I C -1.989 174.050 176.117 -0.131 0.000 0.994 209 I CA -2.533 58.679 61.300 -0.148 0.000 1.158 209 I CB 1.705 39.639 38.000 -0.109 0.000 1.315 209 I HN 0.538 nan 8.210 nan 0.000 0.451 210 P HA 0.255 nan 4.420 nan 0.000 0.274 210 P C -2.647 174.628 177.300 -0.043 0.000 1.246 210 P CA -1.532 61.523 63.100 -0.074 0.000 0.795 210 P CB -0.282 31.383 31.700 -0.058 0.000 1.006 211 P HA 0.100 nan 4.420 nan 0.000 0.272 211 P C -0.144 177.151 177.300 -0.008 0.000 1.240 211 P CA -0.381 62.716 63.100 -0.005 0.000 0.791 211 P CB 0.151 31.855 31.700 0.008 0.000 0.978 212 L N 1.951 123.172 121.223 -0.003 0.000 2.513 212 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 212 L C 0.378 177.248 176.870 0.001 0.000 1.187 212 L CA 0.964 55.803 54.840 -0.002 0.000 0.895 212 L CB -0.475 41.585 42.059 0.002 0.000 1.147 212 L HN 0.260 nan 8.230 nan 0.000 0.483 213 Q N 3.531 123.330 119.800 -0.001 0.000 2.166 213 Q HA 0.412 4.752 4.340 -0.000 0.000 0.226 213 Q C 0.980 176.982 176.000 0.005 0.000 0.989 213 Q CA 0.107 55.911 55.803 0.002 0.000 0.966 213 Q CB 1.037 29.775 28.738 -0.001 0.000 1.173 213 Q HN 0.799 nan 8.270 nan 0.000 0.509 214 A N 0.904 123.728 122.820 0.005 0.000 1.908 214 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 214 A C 1.446 179.034 177.584 0.007 0.000 1.181 214 A CA 2.412 54.453 52.037 0.007 0.000 0.627 214 A CB -0.874 18.130 19.000 0.007 0.000 0.818 214 A HN 0.863 nan 8.150 nan 0.000 0.445 215 D N -1.003 119.401 120.400 0.006 0.000 2.158 215 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 215 D C 0.620 176.925 176.300 0.008 0.000 0.995 215 D CA 1.311 55.315 54.000 0.007 0.000 0.846 215 D CB -0.219 40.585 40.800 0.007 0.000 0.941 215 D HN 0.364 nan 8.370 nan 0.000 0.456 216 K N 0.129 120.533 120.400 0.007 0.000 3.379 216 K HA -0.182 4.138 4.320 -0.000 0.000 0.300 216 K C -0.336 176.270 176.600 0.009 0.000 1.302 216 K CA 1.035 57.326 56.287 0.008 0.000 0.877 216 K CB -2.564 29.942 32.500 0.010 0.000 1.343 216 K HN 0.809 nan 8.250 nan 0.000 0.488 217 E N 1.149 121.354 120.200 0.008 0.000 2.392 217 E HA 0.166 4.516 4.350 -0.000 0.000 0.259 217 E C -0.099 176.502 176.600 0.002 0.000 1.108 217 E CA -0.661 55.745 56.400 0.010 0.000 0.916 217 E CB 0.667 30.375 29.700 0.013 0.000 0.989 217 E HN 0.017 nan 8.360 nan 0.000 0.432 218 D N 2.257 122.659 120.400 0.003 0.000 2.451 218 D HA 0.009 4.649 4.640 -0.000 0.000 0.254 218 D C -1.608 174.657 176.300 -0.057 0.000 1.204 218 D CA -2.012 51.978 54.000 -0.016 0.000 0.896 218 D CB 1.047 41.840 40.800 -0.011 0.000 1.136 218 D HN 0.196 nan 8.370 nan 0.000 0.499 219 P HA -0.118 nan 4.420 nan 0.000 0.217 219 P C 1.567 178.774 177.300 -0.154 0.000 1.148 219 P CA 0.896 63.948 63.100 -0.079 0.000 0.828 219 P CB 0.175 31.842 31.700 -0.056 0.000 0.783 220 I N -0.332 120.094 120.570 -0.240 0.000 2.361 220 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 220 I C 2.182 177.913 176.117 -0.643 0.000 1.133 220 I CA 1.775 62.792 61.300 -0.472 0.000 1.413 220 I CB -0.814 36.816 38.000 -0.618 0.000 1.073 220 I HN 0.060 nan 8.210 nan 0.000 0.424 221 S N 0.227 115.681 115.700 -0.410 0.000 2.507 221 S HA -0.061 4.409 4.470 -0.000 0.000 0.235 221 S C 1.551 176.143 174.600 -0.014 0.000 0.988 221 S CA 0.667 58.805 58.200 -0.102 0.000 0.944 221 S CB -0.131 63.113 63.200 0.073 0.000 0.762 221 S HN 0.317 nan 8.310 nan 0.000 0.526 222 K N 1.684 122.038 120.400 -0.076 0.000 2.399 222 K HA 0.366 4.686 4.320 -0.000 0.000 0.204 222 K C -0.102 176.464 176.600 -0.057 0.000 1.023 222 K CA -0.062 56.200 56.287 -0.042 0.000 1.127 222 K CB 0.537 33.011 32.500 -0.042 0.000 0.856 222 K HN 0.287 nan 8.250 nan 0.000 0.514 223 S N 2.512 118.164 115.700 -0.080 0.000 2.560 223 S HA 0.032 4.502 4.470 -0.000 0.000 0.284 223 S C 0.297 174.878 174.600 -0.033 0.000 1.327 223 S CA 0.062 58.217 58.200 -0.074 0.000 1.055 223 S CB 0.478 63.630 63.200 -0.080 0.000 0.868 223 S HN 0.316 nan 8.310 nan 0.000 0.506 224 E N 0.900 121.071 120.200 -0.049 0.000 2.413 224 E HA 0.469 4.819 4.350 -0.000 0.000 0.277 224 E C -1.419 175.158 176.600 -0.039 0.000 0.958 224 E CA -1.029 55.352 56.400 -0.032 0.000 0.779 224 E CB 0.682 30.364 29.700 -0.031 0.000 1.278 224 E HN 0.231 nan 8.360 nan 0.000 0.456 225 I N 2.830 123.384 120.570 -0.026 0.000 2.337 225 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 225 I C 1.152 177.255 176.117 -0.022 0.000 1.046 225 I CA -0.309 60.974 61.300 -0.028 0.000 1.324 225 I CB 0.860 38.843 38.000 -0.029 0.000 1.409 225 I HN 0.598 nan 8.210 nan 0.000 0.494 226 V N 7.276 127.185 119.914 -0.009 0.000 2.346 226 V HA 0.017 4.137 4.120 -0.000 0.000 0.244 226 V C 0.733 176.820 176.094 -0.011 0.000 1.037 226 V CA 0.996 63.307 62.300 0.018 0.000 1.029 226 V CB 0.240 32.128 31.823 0.107 0.000 0.663 226 V HN 0.625 nan 8.190 nan 0.000 0.454 227 V N -1.236 118.649 119.914 -0.049 0.000 3.225 227 V HA 0.468 4.588 4.120 -0.000 0.000 0.293 227 V C -1.856 174.124 176.094 -0.190 0.000 1.405 227 V CA -0.635 61.592 62.300 -0.121 0.000 1.038 227 V CB 2.348 34.076 31.823 -0.159 0.000 1.123 227 V HN 0.475 nan 8.190 nan 0.000 0.447 228 Q N 2.311 121.970 119.800 -0.236 0.000 2.353 228 Q HA 0.622 4.962 4.340 -0.000 0.000 0.268 228 Q C -2.033 173.735 176.000 -0.388 0.000 1.045 228 Q CA -0.539 55.129 55.803 -0.226 0.000 0.811 228 Q CB 1.919 30.573 28.738 -0.140 0.000 1.305 228 Q HN 0.644 nan 8.270 nan 0.000 0.447 229 F N 4.629 124.476 119.950 -0.172 0.000 2.421 229 F HA 0.465 4.992 4.527 -0.000 0.000 0.337 229 F C -1.795 173.846 175.800 -0.265 0.000 1.105 229 F CA -2.042 55.767 58.000 -0.317 0.000 1.049 229 F CB 1.172 40.038 39.000 -0.223 0.000 1.139 229 F HN 0.464 nan 8.300 nan 0.000 0.479 230 P HA 0.020 nan 4.420 nan 0.000 0.272 230 P C -0.666 176.690 177.300 0.093 0.000 1.230 230 P CA -0.300 62.739 63.100 -0.101 0.000 0.788 230 P CB 1.198 32.827 31.700 -0.118 0.000 0.949 231 C N 1.844 121.172 119.300 0.046 0.000 2.358 231 C HA 0.276 4.736 4.460 -0.000 0.000 0.342 231 C C 2.337 177.355 174.990 0.047 0.000 1.234 231 C CA 0.268 59.341 59.018 0.091 0.000 1.969 231 C CB 0.153 27.784 27.740 -0.181 0.000 2.346 231 C HN 0.735 nan 8.230 nan 0.000 0.525 232 S N 1.843 117.507 115.700 -0.060 0.000 2.447 232 S HA -0.054 4.416 4.470 -0.000 0.000 0.233 232 S C 0.250 174.713 174.600 -0.228 0.000 1.006 232 S CA 0.997 58.976 58.200 -0.369 0.000 0.957 232 S CB -0.144 62.337 63.200 -1.198 0.000 0.773 232 S HN 0.884 nan 8.310 nan 0.000 0.507 233 D N 0.418 120.712 120.400 -0.177 0.000 2.593 233 D HA 0.277 4.917 4.640 -0.000 0.000 0.251 233 D C 0.740 176.927 176.300 -0.189 0.000 1.140 233 D CA -0.630 53.279 54.000 -0.152 0.000 0.855 233 D CB 1.655 42.378 40.800 -0.128 0.000 1.267 233 D HN 0.066 nan 8.370 nan 0.000 0.532 234 R N 2.673 123.003 120.500 -0.283 0.000 2.119 234 R HA -0.180 4.160 4.340 -0.000 0.000 0.246 234 R C 0.530 176.520 176.300 -0.516 0.000 1.146 234 R CA 1.788 57.589 56.100 -0.500 0.000 0.962 234 R CB 0.005 29.805 30.300 -0.833 0.000 0.863 234 R HN 0.364 nan 8.270 nan 0.000 0.442 235 F N -0.550 119.364 119.950 -0.061 0.000 2.661 235 F HA 0.354 4.881 4.527 -0.000 0.000 0.306 235 F C -0.334 175.412 175.800 -0.090 0.000 1.094 235 F CA -0.114 57.849 58.000 -0.061 0.000 1.254 235 F CB 0.766 39.746 39.000 -0.033 0.000 1.040 235 F HN -0.257 nan 8.300 nan 0.000 0.562 236 K N 2.329 122.735 120.400 0.010 0.000 2.656 236 K HA 0.301 4.621 4.320 -0.000 0.000 0.241 236 K C -2.932 173.617 176.600 -0.086 0.000 0.967 236 K CA -1.774 54.492 56.287 -0.036 0.000 0.946 236 K CB 2.211 34.694 32.500 -0.028 0.000 1.164 236 K HN -0.220 nan 8.250 nan 0.000 0.459 237 P HA 0.087 nan 4.420 nan 0.000 0.277 237 P C -0.495 176.846 177.300 0.069 0.000 1.240 237 P CA -0.337 62.708 63.100 -0.093 0.000 0.798 237 P CB 1.088 32.652 31.700 -0.226 0.000 0.979 238 S N 1.081 116.928 115.700 0.244 0.000 2.592 238 S HA 0.104 4.574 4.470 -0.000 0.000 0.271 238 S C -0.085 174.675 174.600 0.267 0.000 1.326 238 S CA -0.219 58.094 58.200 0.188 0.000 1.024 238 S CB -0.176 63.096 63.200 0.120 0.000 0.921 238 S HN 0.410 nan 8.310 nan 0.000 0.527 239 Y N 2.414 122.786 120.300 0.120 0.000 2.620 239 Y HA 0.285 4.834 4.550 -0.000 0.000 0.330 239 Y C -0.548 175.469 175.900 0.195 0.000 1.186 239 Y CA -0.132 58.091 58.100 0.205 0.000 1.467 239 Y CB 0.076 38.678 38.460 0.237 0.000 1.262 239 Y HN 0.297 nan 8.280 nan 0.000 0.550 240 V N 7.820 127.496 119.914 -0.398 0.000 2.483 240 V HA 0.133 4.253 4.120 -0.000 0.000 0.297 240 V C -0.164 175.700 176.094 -0.383 0.000 1.027 240 V CA -0.621 61.542 62.300 -0.228 0.000 0.855 240 V CB 1.268 33.079 31.823 -0.019 0.000 0.995 240 V HN 0.923 nan 8.190 nan 0.000 0.424 241 H N 2.808 121.706 119.070 -0.288 0.000 2.604 241 H HA 0.377 4.933 4.556 -0.000 0.000 0.273 241 H C 0.910 176.345 175.328 0.178 0.000 0.971 241 H CA 0.974 56.984 56.048 -0.064 0.000 1.249 241 H CB 0.792 30.631 29.762 0.128 0.000 1.449 241 H HN 0.785 nan 8.280 nan 0.000 0.512 242 S N -1.193 114.656 115.700 0.247 0.000 2.661 242 S HA 0.497 4.967 4.470 -0.000 0.000 0.268 242 S C -1.371 173.487 174.600 0.430 0.000 1.162 242 S CA -0.409 57.970 58.200 0.298 0.000 0.817 242 S CB 1.770 65.079 63.200 0.182 0.000 1.141 242 S HN 0.311 nan 8.310 nan 0.000 0.477 243 F N -1.525 118.393 119.950 -0.054 0.000 2.773 243 F HA 0.916 5.443 4.527 -0.000 0.000 0.314 243 F C -0.380 175.092 175.800 -0.547 0.000 1.160 243 F CA -0.513 57.273 58.000 -0.356 0.000 0.920 243 F CB 0.764 39.739 39.000 -0.042 0.000 1.323 243 F HN 0.962 nan 8.300 nan 0.000 0.457 244 G N 0.726 109.104 108.800 -0.704 0.000 2.417 244 G HA2 0.690 4.650 3.960 -0.000 0.000 0.334 244 G HA3 0.690 4.650 3.960 -0.000 0.000 0.334 244 G C -2.395 172.282 174.900 -0.371 0.000 1.150 244 G CA -1.003 43.806 45.100 -0.485 0.000 0.923 244 G HN 0.943 nan 8.290 nan 0.000 0.485 245 L N 0.952 121.831 121.223 -0.573 0.000 2.482 245 L HA 0.758 5.098 4.340 -0.000 0.000 0.263 245 L C 0.270 176.944 176.870 -0.328 0.000 0.957 245 L CA -0.312 54.243 54.840 -0.475 0.000 0.836 245 L CB 2.324 43.923 42.059 -0.767 0.000 1.324 245 L HN 0.893 nan 8.230 nan 0.000 0.406 246 T N 0.769 115.229 114.554 -0.157 0.000 2.883 246 T HA 0.641 4.991 4.350 -0.000 0.000 0.284 246 T C -2.376 172.265 174.700 -0.097 0.000 1.041 246 T CA -1.781 60.275 62.100 -0.075 0.000 1.007 246 T CB 1.729 70.638 68.868 0.067 0.000 1.220 246 T HN 0.374 nan 8.240 nan 0.000 0.552 247 P HA 0.026 nan 4.420 nan 0.000 0.216 247 P C 0.980 178.205 177.300 -0.125 0.000 1.150 247 P CA 0.994 64.045 63.100 -0.083 0.000 0.837 247 P CB 0.078 31.747 31.700 -0.053 0.000 0.786 248 N N -3.197 115.405 118.700 -0.163 0.000 2.220 248 N HA 0.087 4.827 4.740 -0.000 0.000 0.195 248 N C -0.203 174.880 175.510 -0.711 0.000 1.123 248 N CA 0.398 53.186 53.050 -0.436 0.000 0.874 248 N CB 0.553 38.699 38.487 -0.569 0.000 0.995 248 N HN 0.240 nan 8.380 nan 0.000 0.498 249 Y N -0.096 120.185 120.300 -0.031 0.000 2.588 249 Y HA 0.548 5.098 4.550 -0.000 0.000 0.343 249 Y C -0.384 175.517 175.900 0.001 0.000 1.065 249 Y CA -0.872 57.231 58.100 0.005 0.000 1.038 249 Y CB 1.776 40.249 38.460 0.023 0.000 1.297 249 Y HN -0.286 nan 8.280 nan 0.000 0.467 250 I N 2.413 123.149 120.570 0.276 0.000 2.433 250 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 250 I C -1.138 175.212 176.117 0.389 0.000 1.001 250 I CA -1.044 60.436 61.300 0.299 0.000 1.119 250 I CB 1.705 39.931 38.000 0.377 0.000 1.289 250 I HN 0.201 nan 8.210 nan 0.000 0.438 251 V N 6.235 126.313 119.914 0.274 0.000 2.495 251 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 251 V C -0.869 175.335 176.094 0.183 0.000 1.031 251 V CA -0.663 61.756 62.300 0.198 0.000 0.871 251 V CB 1.859 33.744 31.823 0.102 0.000 0.988 251 V HN 0.480 nan 8.190 nan 0.000 0.432 252 F N 5.670 125.535 119.950 -0.141 0.000 2.529 252 F HA 0.788 5.315 4.527 -0.000 0.000 0.320 252 F C -0.817 174.918 175.800 -0.107 0.000 1.118 252 F CA -1.156 56.673 58.000 -0.285 0.000 0.915 252 F CB 1.913 40.298 39.000 -1.025 0.000 1.161 252 F HN 0.235 nan 8.300 nan 0.000 0.445 253 V N 5.788 125.336 119.914 -0.611 0.000 2.357 253 V HA 0.302 4.422 4.120 -0.000 0.000 0.284 253 V C -0.443 175.100 176.094 -0.918 0.000 1.018 253 V CA -0.745 61.195 62.300 -0.601 0.000 0.841 253 V CB 1.346 33.039 31.823 -0.217 0.000 0.991 253 V HN 0.781 nan 8.190 nan 0.000 0.437 254 E N 3.823 123.494 120.200 -0.882 0.000 2.035 254 E HA 0.373 4.723 4.350 -0.000 0.000 0.271 254 E C 0.205 176.564 176.600 -0.402 0.000 0.953 254 E CA -0.368 55.647 56.400 -0.642 0.000 0.777 254 E CB 0.923 30.388 29.700 -0.391 0.000 1.104 254 E HN 0.858 nan 8.360 nan 0.000 0.408 255 T N 0.904 115.261 114.554 -0.328 0.000 2.862 255 T HA 0.366 4.716 4.350 -0.000 0.000 0.276 255 T C -1.752 172.817 174.700 -0.219 0.000 0.974 255 T CA -1.617 60.295 62.100 -0.314 0.000 0.966 255 T CB 1.354 70.065 68.868 -0.261 0.000 1.072 255 T HN 0.245 nan 8.240 nan 0.000 0.538 256 P HA 0.158 nan 4.420 nan 0.000 0.249 256 P C -0.088 177.172 177.300 -0.067 0.000 1.241 256 P CA -0.145 62.884 63.100 -0.119 0.000 0.781 256 P CB -0.228 31.436 31.700 -0.060 0.000 1.088 257 V N 2.094 121.973 119.914 -0.058 0.000 2.387 257 V HA 0.131 4.251 4.120 -0.000 0.000 0.260 257 V C 0.713 176.796 176.094 -0.017 0.000 1.054 257 V CA 0.176 62.427 62.300 -0.081 0.000 0.967 257 V CB 0.129 31.807 31.823 -0.242 0.000 1.036 257 V HN -0.014 nan 8.190 nan 0.000 0.481 258 K N 4.756 125.145 120.400 -0.018 0.000 2.208 258 K HA 0.639 4.959 4.320 -0.000 0.000 0.247 258 K C -0.632 175.910 176.600 -0.096 0.000 0.953 258 K CA -0.722 55.545 56.287 -0.032 0.000 0.837 258 K CB 2.810 35.275 32.500 -0.059 0.000 1.131 258 K HN 0.439 nan 8.250 nan 0.000 0.431 259 I N 2.302 122.773 120.570 -0.164 0.000 2.336 259 I HA 0.160 4.330 4.170 -0.000 0.000 0.292 259 I C 0.637 176.648 176.117 -0.177 0.000 0.991 259 I CA -0.528 60.578 61.300 -0.324 0.000 1.227 259 I CB 1.110 38.931 38.000 -0.299 0.000 1.366 259 I HN 0.457 nan 8.210 nan 0.000 0.466 273 A N 1.427 124.237 122.820 -0.018 0.000 2.325 273 A HA 0.884 5.204 4.320 -0.000 0.000 0.333 273 A C 0.231 177.787 177.584 -0.047 0.000 1.155 273 A CA -0.575 51.444 52.037 -0.031 0.000 0.814 273 A CB 1.160 20.131 19.000 -0.050 0.000 1.206 273 A HN 0.928 nan 8.150 nan 0.000 0.482 274 N N -0.493 118.189 118.700 -0.030 0.000 2.741 274 N HA 0.390 5.130 4.740 -0.000 0.000 0.310 274 N C 0.065 175.524 175.510 -0.085 0.000 1.295 274 N CA -0.532 52.503 53.050 -0.026 0.000 0.893 274 N CB -0.057 38.487 38.487 0.095 0.000 1.247 274 N HN 0.429 nan 8.380 nan 0.000 0.596 275 Y N -1.155 119.127 120.300 -0.029 0.000 2.220 275 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 275 Y C 2.398 178.305 175.900 0.011 0.000 1.129 275 Y CA 1.268 59.376 58.100 0.013 0.000 1.161 275 Y CB -0.399 38.167 38.460 0.177 0.000 0.997 275 Y HN 0.518 nan 8.280 nan 0.000 0.522 276 M N 0.707 120.197 119.600 -0.184 0.000 2.144 276 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 276 M C 1.236 177.666 176.300 0.216 0.000 1.067 276 M CA 1.779 57.023 55.300 -0.093 0.000 1.095 276 M CB -0.511 31.862 32.600 -0.378 0.000 1.365 276 M HN 0.089 nan 8.290 nan 0.000 0.406 277 D N -0.680 119.778 120.400 0.096 0.000 2.309 277 D HA -0.127 4.513 4.640 -0.000 0.000 0.212 277 D C 1.833 178.181 176.300 0.080 0.000 0.968 277 D CA 1.336 55.385 54.000 0.082 0.000 0.882 277 D CB -0.483 40.330 40.800 0.023 0.000 0.918 277 D HN 0.489 nan 8.370 nan 0.000 0.503 278 C N 0.098 119.435 119.300 0.061 0.000 2.539 278 C HA 0.105 4.565 4.460 -0.000 0.000 0.268 278 C C 0.950 175.883 174.990 -0.096 0.000 1.395 278 C CA -0.685 58.294 59.018 -0.065 0.000 1.757 278 C CB -1.269 26.362 27.740 -0.182 0.000 1.851 278 C HN 0.014 nan 8.230 nan 0.000 0.545 279 F N 2.312 122.289 119.950 0.045 0.000 2.389 279 F HA 0.402 4.929 4.527 -0.000 0.000 0.337 279 F C 0.649 176.462 175.800 0.023 0.000 1.112 279 F CA -0.093 57.916 58.000 0.015 0.000 1.192 279 F CB 0.507 39.527 39.000 0.033 0.000 1.185 279 F HN 0.293 nan 8.300 nan 0.000 0.552 280 E N -0.341 119.952 120.200 0.156 0.000 2.430 280 E HA 0.587 4.937 4.350 -0.000 0.000 0.279 280 E C -1.789 174.848 176.600 0.061 0.000 1.003 280 E CA -1.124 55.338 56.400 0.103 0.000 0.801 280 E CB 1.775 31.501 29.700 0.044 0.000 1.313 280 E HN 0.357 nan 8.360 nan 0.000 0.459 281 S N 1.170 116.902 115.700 0.054 0.000 2.451 281 S HA 0.301 4.771 4.470 -0.000 0.000 0.301 281 S C -0.541 173.955 174.600 -0.173 0.000 1.116 281 S CA -0.846 57.352 58.200 -0.003 0.000 1.093 281 S CB 0.824 64.126 63.200 0.171 0.000 1.017 281 S HN 0.501 nan 8.310 nan 0.000 0.482 282 N N 2.268 120.838 118.700 -0.217 0.000 2.422 282 N HA 0.105 4.845 4.740 -0.000 0.000 0.264 282 N C 0.515 175.731 175.510 -0.489 0.000 1.063 282 N CA -0.078 52.810 53.050 -0.271 0.000 0.959 282 N CB 0.795 39.167 38.487 -0.190 0.000 1.087 282 N HN 0.638 nan 8.380 nan 0.000 0.483 283 E N 1.177 121.036 120.200 -0.569 0.000 2.299 283 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 283 E C 0.888 177.324 176.600 -0.273 0.000 0.998 283 E CA 1.009 56.919 56.400 -0.817 0.000 0.851 283 E CB 0.361 29.743 29.700 -0.529 0.000 0.795 283 E HN 0.759 nan 8.360 nan 0.000 0.492 284 T N -1.600 112.876 114.554 -0.129 0.000 2.990 284 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 284 T C 2.004 176.754 174.700 0.083 0.000 1.041 284 T CA -0.085 62.022 62.100 0.011 0.000 1.010 284 T CB -0.098 68.785 68.868 0.024 0.000 1.003 284 T HN 0.123 nan 8.240 nan 0.000 0.499 285 M N 0.912 120.538 119.600 0.044 0.000 2.349 285 M HA 0.430 4.910 4.480 -0.000 0.000 0.266 285 M C 1.664 178.116 176.300 0.253 0.000 1.076 285 M CA 0.921 56.314 55.300 0.155 0.000 1.126 285 M CB -0.966 31.576 32.600 -0.097 0.000 1.392 285 M HN 0.363 nan 8.290 nan 0.000 0.440 286 G N 1.023 109.911 108.800 0.148 0.000 2.552 286 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.265 286 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.265 286 G C -0.540 174.366 174.900 0.010 0.000 1.234 286 G CA -0.215 44.975 45.100 0.149 0.000 0.944 286 G HN 0.430 nan 8.290 nan 0.000 0.568 287 V N 0.277 120.151 119.914 -0.067 0.000 2.459 287 V HA 0.649 4.769 4.120 -0.000 0.000 0.295 287 V C -0.671 175.455 176.094 0.053 0.000 1.029 287 V CA -0.400 61.753 62.300 -0.245 0.000 0.874 287 V CB 1.661 33.028 31.823 -0.760 0.000 0.985 287 V HN 0.596 nan 8.190 nan 0.000 0.438 288 W N 5.263 126.367 121.300 -0.326 0.000 2.478 288 W HA 0.755 5.415 4.660 -0.000 0.000 0.318 288 W C -0.745 175.468 176.519 -0.510 0.000 1.062 288 W CA -1.237 55.906 57.345 -0.336 0.000 1.210 288 W CB 1.020 30.351 29.460 -0.216 0.000 1.325 288 W HN 0.258 nan 8.180 nan 0.000 0.496 289 L N 4.559 125.607 121.223 -0.292 0.000 2.334 289 L HA 0.487 4.827 4.340 -0.000 0.000 0.276 289 L C 0.038 176.738 176.870 -0.283 0.000 1.014 289 L CA -0.675 53.974 54.840 -0.318 0.000 0.815 289 L CB 1.220 43.117 42.059 -0.270 0.000 1.268 289 L HN 0.283 nan 8.230 nan 0.000 0.428 290 H N 3.577 122.693 119.070 0.075 0.000 2.717 290 H HA 0.670 5.226 4.556 -0.000 0.000 0.366 290 H C -0.840 174.702 175.328 0.357 0.000 1.132 290 H CA -0.557 55.701 56.048 0.350 0.000 1.180 290 H CB 2.759 32.746 29.762 0.376 0.000 1.678 290 H HN 0.607 nan 8.280 nan 0.000 0.537 291 I N -0.429 120.500 120.570 0.598 0.000 2.689 291 I HA 0.874 5.044 4.170 -0.000 0.000 0.299 291 I C -0.905 175.540 176.117 0.546 0.000 1.059 291 I CA -1.067 60.532 61.300 0.498 0.000 1.055 291 I CB 2.284 40.417 38.000 0.221 0.000 1.243 291 I HN 0.536 nan 8.210 nan 0.000 0.425 292 A N 3.276 126.419 122.820 0.537 0.000 2.401 292 A HA 0.463 4.783 4.320 -0.000 0.000 0.310 292 A C -1.166 176.579 177.584 0.268 0.000 1.075 292 A CA -0.548 51.660 52.037 0.287 0.000 0.746 292 A CB 1.493 20.532 19.000 0.066 0.000 1.277 292 A HN 0.819 nan 8.150 nan 0.000 0.425 293 D N 1.585 122.072 120.400 0.145 0.000 2.338 293 D HA 0.062 4.702 4.640 -0.000 0.000 0.255 293 D C 0.929 177.195 176.300 -0.057 0.000 1.237 293 D CA 0.151 54.144 54.000 -0.012 0.000 0.883 293 D CB 1.081 41.873 40.800 -0.013 0.000 1.087 293 D HN 0.604 nan 8.370 nan 0.000 0.485 294 K N 3.569 123.892 120.400 -0.129 0.000 2.057 294 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 294 K C 1.440 178.017 176.600 -0.038 0.000 1.049 294 K CA 1.081 57.323 56.287 -0.075 0.000 0.931 294 K CB 0.292 32.708 32.500 -0.139 0.000 0.714 294 K HN 0.266 nan 8.250 nan 0.000 0.440 295 K N -0.293 120.056 120.400 -0.085 0.000 2.186 295 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 295 K C 1.974 178.555 176.600 -0.030 0.000 1.052 295 K CA 0.739 56.999 56.287 -0.046 0.000 0.965 295 K CB 0.176 32.633 32.500 -0.072 0.000 0.746 295 K HN 0.064 nan 8.250 nan 0.000 0.457 296 R N 0.985 121.459 120.500 -0.044 0.000 2.297 296 R HA 0.094 4.434 4.340 -0.000 0.000 0.197 296 R C -0.266 176.028 176.300 -0.010 0.000 0.943 296 R CA 0.143 56.229 56.100 -0.023 0.000 1.038 296 R CB 0.092 30.377 30.300 -0.025 0.000 0.957 296 R HN 0.038 nan 8.270 nan 0.000 0.484 297 K N 1.061 121.457 120.400 -0.007 0.000 3.244 297 K HA -0.216 4.104 4.320 -0.000 0.000 0.270 297 K C -0.635 175.960 176.600 -0.007 0.000 1.016 297 K CA 0.737 57.024 56.287 -0.000 0.000 0.754 297 K CB -1.053 31.451 32.500 0.007 0.000 1.326 297 K HN 0.130 nan 8.250 nan 0.000 0.465 298 K N 1.321 121.719 120.400 -0.002 0.000 2.471 298 K HA 0.259 4.579 4.320 -0.000 0.000 0.252 298 K C -0.993 175.630 176.600 0.039 0.000 0.938 298 K CA -0.938 55.358 56.287 0.016 0.000 0.796 298 K CB 0.948 33.457 32.500 0.015 0.000 1.161 298 K HN 0.132 nan 8.250 nan 0.000 0.425 299 Y N 4.501 124.751 120.300 -0.083 0.000 2.511 299 Y HA 0.187 4.737 4.550 -0.000 0.000 0.332 299 Y C -0.499 175.433 175.900 0.054 0.000 1.177 299 Y CA 0.193 58.261 58.100 -0.052 0.000 1.422 299 Y CB 0.414 38.825 38.460 -0.081 0.000 1.271 299 Y HN 0.428 nan 8.280 nan 0.000 0.550 300 I N 6.147 126.344 120.570 -0.622 0.000 2.321 300 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 300 I C -0.022 175.637 176.117 -0.763 0.000 0.998 300 I CA -0.618 60.404 61.300 -0.464 0.000 1.227 300 I CB 0.912 38.823 38.000 -0.148 0.000 1.368 300 I HN 0.570 nan 8.210 nan 0.000 0.466 301 N N 5.869 124.327 118.700 -0.403 0.000 3.245 301 N HA 0.102 4.842 4.740 -0.000 0.000 0.296 301 N C -0.968 174.425 175.510 -0.196 0.000 1.254 301 N CA -0.040 52.881 53.050 -0.215 0.000 1.190 301 N CB -0.310 38.167 38.487 -0.016 0.000 1.460 301 N HN 0.417 nan 8.380 nan 0.000 0.538 302 N N 0.934 119.467 118.700 -0.277 0.000 2.444 302 N HA 0.149 4.889 4.740 -0.000 0.000 0.262 302 N C -0.445 174.736 175.510 -0.549 0.000 0.974 302 N CA -0.223 52.546 53.050 -0.468 0.000 0.933 302 N CB 1.159 39.241 38.487 -0.675 0.000 1.137 302 N HN 0.155 nan 8.380 nan 0.000 0.498 303 K N 2.808 122.928 120.400 -0.468 0.000 2.278 303 K HA 0.141 4.461 4.320 -0.000 0.000 0.237 303 K C -0.544 175.790 176.600 -0.443 0.000 1.229 303 K CA -0.196 55.851 56.287 -0.400 0.000 1.155 303 K CB -0.264 32.044 32.500 -0.320 0.000 1.590 303 K HN 0.429 nan 8.250 nan 0.000 0.290 304 Y N 1.250 121.413 120.300 -0.227 0.000 2.359 304 Y HA 0.161 4.711 4.550 -0.000 0.000 0.330 304 Y C 0.826 176.544 175.900 -0.303 0.000 1.143 304 Y CA -0.322 57.641 58.100 -0.229 0.000 1.318 304 Y CB 0.590 38.922 38.460 -0.213 0.000 1.234 304 Y HN 0.123 nan 8.280 nan 0.000 0.522 305 R N 1.190 121.607 120.500 -0.138 0.000 2.740 305 R HA 0.709 5.049 4.340 -0.000 0.000 0.273 305 R C -0.690 175.281 176.300 -0.548 0.000 0.998 305 R CA -0.826 55.140 56.100 -0.222 0.000 0.900 305 R CB 2.227 32.491 30.300 -0.060 0.000 1.223 305 R HN 0.745 nan 8.270 nan 0.000 0.466 306 T N -0.812 113.379 114.554 -0.606 0.000 2.665 306 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 306 T C -0.731 173.737 174.700 -0.386 0.000 1.334 306 T CA -0.322 61.148 62.100 -1.051 0.000 1.011 306 T CB 1.004 69.516 68.868 -0.592 0.000 1.573 306 T HN 0.647 nan 8.240 nan 0.000 0.492 307 S N 1.889 117.546 115.700 -0.071 0.000 2.624 307 S HA 0.582 5.052 4.470 -0.000 0.000 0.263 307 S C -2.656 172.057 174.600 0.188 0.000 1.287 307 S CA -0.967 57.406 58.200 0.289 0.000 0.990 307 S CB 0.182 63.626 63.200 0.407 0.000 0.950 307 S HN 0.584 nan 8.310 nan 0.000 0.561 308 P HA 0.364 nan 4.420 nan 0.000 0.271 308 P C -0.836 176.599 177.300 0.224 0.000 1.220 308 P CA -0.134 63.059 63.100 0.155 0.000 0.768 308 P CB -0.210 31.688 31.700 0.330 0.000 0.848 309 F N -0.610 119.405 119.950 0.108 0.000 2.668 309 F HA 0.492 5.019 4.527 -0.000 0.000 0.309 309 F C -0.760 175.083 175.800 0.071 0.000 1.117 309 F CA -1.285 56.779 58.000 0.107 0.000 0.951 309 F CB 0.999 40.050 39.000 0.086 0.000 1.323 309 F HN 0.087 nan 8.300 nan 0.000 0.451 310 N N 0.964 119.872 118.700 0.346 0.000 2.515 310 N HA 0.603 5.343 4.740 -0.000 0.000 0.279 310 N C -1.784 173.803 175.510 0.129 0.000 1.164 310 N CA -0.576 52.542 53.050 0.114 0.000 0.982 310 N CB 1.996 40.546 38.487 0.105 0.000 1.170 310 N HN 0.640 nan 8.380 nan 0.000 0.474 311 L N 1.849 122.890 121.223 -0.304 0.000 2.470 311 L HA 0.383 4.723 4.340 -0.000 0.000 0.268 311 L C -1.210 175.235 176.870 -0.709 0.000 0.964 311 L CA -0.236 54.448 54.840 -0.259 0.000 0.839 311 L CB 1.293 43.362 42.059 0.018 0.000 1.276 311 L HN 0.461 nan 8.230 nan 0.000 0.403 312 F N 1.327 121.313 119.950 0.060 0.000 2.480 312 F HA 0.368 4.895 4.527 -0.000 0.000 0.280 312 F C 0.376 176.050 175.800 -0.211 0.000 1.002 312 F CA -0.039 57.807 58.000 -0.257 0.000 1.325 312 F CB -0.016 38.608 39.000 -0.627 0.000 1.134 312 F HN 0.448 nan 8.300 nan 0.000 0.646 313 H N -0.678 118.543 119.070 0.253 0.000 2.646 313 H HA 0.290 4.846 4.556 -0.000 0.000 0.328 313 H C -0.528 174.860 175.328 0.100 0.000 0.998 313 H CA -0.684 55.452 56.048 0.147 0.000 1.225 313 H CB 0.600 30.417 29.762 0.092 0.000 1.457 313 H HN 0.029 nan 8.280 nan 0.000 0.505 314 H N 2.988 122.151 119.070 0.154 0.000 2.815 314 H HA 0.014 4.570 4.556 -0.000 0.000 0.350 314 H C 0.894 176.298 175.328 0.127 0.000 1.080 314 H CA 0.615 56.734 56.048 0.119 0.000 1.433 314 H CB 1.751 31.567 29.762 0.090 0.000 1.432 314 H HN 0.670 nan 8.280 nan 0.000 0.592 315 I N 1.407 122.111 120.570 0.222 0.000 2.522 315 I HA -0.074 4.096 4.170 -0.000 0.000 0.240 315 I C 0.704 176.892 176.117 0.118 0.000 1.078 315 I CA 0.616 62.036 61.300 0.200 0.000 1.422 315 I CB 0.200 38.340 38.000 0.232 0.000 1.188 315 I HN 0.466 nan 8.210 nan 0.000 0.442 316 N N -1.023 117.715 118.700 0.063 0.000 2.927 316 N HA 0.364 5.104 4.740 -0.000 0.000 0.248 316 N C -1.601 173.936 175.510 0.045 0.000 1.443 316 N CA -0.299 52.701 53.050 -0.084 0.000 0.870 316 N CB 2.076 40.161 38.487 -0.670 0.000 1.444 316 N HN -0.138 nan 8.380 nan 0.000 0.519 317 T N 1.264 115.838 114.554 0.033 0.000 2.971 317 T HA 0.618 4.968 4.350 -0.000 0.000 0.304 317 T C -1.484 173.293 174.700 0.128 0.000 1.038 317 T CA -0.474 61.654 62.100 0.046 0.000 1.007 317 T CB 0.735 69.602 68.868 -0.001 0.000 1.055 317 T HN 0.488 nan 8.240 nan 0.000 0.451 318 Y N -0.482 119.831 120.300 0.022 0.000 2.705 318 Y HA 0.772 5.322 4.550 -0.000 0.000 0.332 318 Y C -1.223 174.710 175.900 0.056 0.000 1.221 318 Y CA -1.455 56.663 58.100 0.031 0.000 1.059 318 Y CB 1.043 39.532 38.460 0.050 0.000 1.298 318 Y HN 0.463 nan 8.280 nan 0.000 0.459 319 E N 1.126 121.482 120.200 0.260 0.000 2.175 319 E HA 0.348 4.698 4.350 -0.000 0.000 0.278 319 E C -1.643 175.105 176.600 0.247 0.000 0.969 319 E CA -0.797 55.704 56.400 0.169 0.000 0.796 319 E CB 1.542 31.353 29.700 0.185 0.000 1.104 319 E HN 0.516 nan 8.360 nan 0.000 0.395 320 D N 2.146 122.661 120.400 0.192 0.000 2.479 320 D HA 0.195 4.835 4.640 -0.000 0.000 0.246 320 D C -0.428 176.086 176.300 0.357 0.000 1.336 320 D CA -0.245 53.896 54.000 0.235 0.000 0.967 320 D CB 0.175 41.144 40.800 0.281 0.000 1.275 320 D HN 0.606 nan 8.370 nan 0.000 0.577 321 H N 1.239 120.417 119.070 0.180 0.000 1.452 321 H HA -0.210 4.346 4.556 -0.000 0.000 0.090 321 H C 0.254 175.637 175.328 0.093 0.000 1.001 321 H CA 1.604 57.746 56.048 0.156 0.000 1.901 321 H CB -0.429 29.471 29.762 0.231 0.000 2.257 321 H HN 0.394 nan 8.280 nan 0.000 0.961 322 E N 1.477 121.766 120.200 0.147 0.000 2.370 322 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 322 E C -0.616 175.716 176.600 -0.447 0.000 1.057 322 E CA 0.132 56.423 56.400 -0.181 0.000 1.011 322 E CB -0.094 29.434 29.700 -0.286 0.000 1.132 322 E HN 0.133 nan 8.360 nan 0.000 0.450 323 F N 0.036 119.989 119.950 0.005 0.000 2.522 323 F HA 0.409 4.936 4.527 -0.000 0.000 0.324 323 F C 0.405 176.124 175.800 -0.135 0.000 1.077 323 F CA -0.951 57.008 58.000 -0.069 0.000 0.944 323 F CB 1.382 40.355 39.000 -0.045 0.000 1.175 323 F HN -0.214 nan 8.300 nan 0.000 0.468 324 L N 4.206 125.411 121.223 -0.031 0.000 2.289 324 L HA 0.419 4.759 4.340 -0.000 0.000 0.285 324 L C -0.720 176.055 176.870 -0.159 0.000 1.049 324 L CA -0.762 53.996 54.840 -0.137 0.000 0.804 324 L CB 0.965 42.895 42.059 -0.214 0.000 1.195 324 L HN 0.355 nan 8.230 nan 0.000 0.428 325 I N 4.638 125.019 120.570 -0.314 0.000 2.315 325 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 325 I C -0.008 175.967 176.117 -0.237 0.000 1.006 325 I CA -0.484 60.585 61.300 -0.385 0.000 1.265 325 I CB 1.368 38.822 38.000 -0.910 0.000 1.387 325 I HN 0.156 nan 8.210 nan 0.000 0.475 326 V N 5.787 125.649 119.914 -0.088 0.000 2.325 326 V HA 0.322 4.442 4.120 -0.000 0.000 0.280 326 V C -0.503 175.630 176.094 0.064 0.000 1.016 326 V CA -0.726 61.586 62.300 0.019 0.000 0.818 326 V CB 1.478 33.317 31.823 0.026 0.000 1.019 326 V HN 0.538 nan 8.190 nan 0.000 0.434 327 D N 5.277 125.735 120.400 0.097 0.000 2.232 327 D HA 0.690 5.329 4.640 -0.000 0.000 0.242 327 D C -0.407 175.936 176.300 0.071 0.000 1.093 327 D CA 0.060 54.119 54.000 0.098 0.000 0.845 327 D CB 2.059 42.982 40.800 0.205 0.000 1.124 327 D HN 0.338 nan 8.370 nan 0.000 0.467 328 L N 1.111 122.336 121.223 0.004 0.000 2.409 328 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 328 L C -0.649 176.194 176.870 -0.045 0.000 0.992 328 L CA -1.015 53.788 54.840 -0.062 0.000 0.817 328 L CB 2.371 44.337 42.059 -0.155 0.000 1.350 328 L HN 0.283 nan 8.230 nan 0.000 0.411 329 C N 1.511 120.820 119.300 0.014 0.000 2.256 329 C HA 0.452 4.912 4.460 -0.000 0.000 0.333 329 C C 0.565 175.519 174.990 -0.059 0.000 1.183 329 C CA -0.730 58.299 59.018 0.019 0.000 1.692 329 C CB -0.828 27.011 27.740 0.165 0.000 2.274 329 C HN 0.697 nan 8.230 nan 0.000 0.509 330 C N 2.200 121.374 119.300 -0.209 0.000 2.349 330 C HA 0.618 5.078 4.460 -0.000 0.000 0.361 330 C C -0.519 174.330 174.990 -0.235 0.000 1.189 330 C CA -0.549 58.335 59.018 -0.223 0.000 2.155 330 C CB 0.595 28.026 27.740 -0.515 0.000 2.336 330 C HN 0.907 nan 8.230 nan 0.000 0.540 331 W N 1.243 122.601 121.300 0.098 0.000 2.543 331 W HA 0.420 5.080 4.660 -0.000 0.000 0.318 331 W C -0.334 176.289 176.519 0.175 0.000 1.002 331 W CA -0.500 56.940 57.345 0.158 0.000 1.302 331 W CB 0.669 30.281 29.460 0.253 0.000 1.299 331 W HN 0.456 nan 8.180 nan 0.000 0.424 332 K N 3.168 123.736 120.400 0.281 0.000 2.351 332 K HA 0.506 4.826 4.320 -0.000 0.000 0.287 332 K C 0.558 177.284 176.600 0.210 0.000 1.068 332 K CA 0.402 56.823 56.287 0.222 0.000 0.998 332 K CB 0.115 32.685 32.500 0.117 0.000 0.968 332 K HN 0.689 nan 8.250 nan 0.000 0.464 333 G N 1.821 110.749 108.800 0.213 0.000 2.351 333 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.353 333 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.353 333 G C -0.404 174.577 174.900 0.136 0.000 1.358 333 G CA -0.876 44.263 45.100 0.065 0.000 0.995 333 G HN 0.415 nan 8.290 nan 0.000 0.611 334 F N -0.685 119.368 119.950 0.173 0.000 2.720 334 F HA 0.525 5.052 4.527 -0.000 0.000 0.301 334 F C 0.777 176.681 175.800 0.172 0.000 1.103 334 F CA -0.110 57.973 58.000 0.138 0.000 1.291 334 F CB 0.009 39.062 39.000 0.089 0.000 1.086 334 F HN 0.615 nan 8.300 nan 0.000 0.592 335 E N 1.717 122.092 120.200 0.291 0.000 2.452 335 E HA -0.080 4.270 4.350 -0.000 0.000 0.261 335 E C -0.735 176.118 176.600 0.422 0.000 0.987 335 E CA -0.490 56.130 56.400 0.366 0.000 0.926 335 E CB 0.348 30.228 29.700 0.300 0.000 0.934 335 E HN 0.140 nan 8.360 nan 0.000 0.452 336 F N 5.640 125.719 119.950 0.214 0.000 2.533 336 F HA -0.011 4.516 4.527 -0.000 0.000 0.378 336 F C 0.839 176.748 175.800 0.182 0.000 1.070 336 F CA -0.398 57.685 58.000 0.138 0.000 1.172 336 F CB 0.480 39.503 39.000 0.040 0.000 1.085 336 F HN 0.332 nan 8.300 nan 0.000 0.552 337 V N 7.537 127.616 119.914 0.274 0.000 2.568 337 V HA -0.335 3.785 4.120 -0.000 0.000 0.253 337 V C 1.849 177.859 176.094 -0.140 0.000 1.072 337 V CA 1.601 63.931 62.300 0.050 0.000 1.084 337 V CB -1.086 30.628 31.823 -0.182 0.000 0.676 337 V HN 0.708 nan 8.190 nan 0.000 0.469 338 Y N 0.786 120.601 120.300 -0.808 0.000 2.483 338 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 338 Y C 2.324 177.977 175.900 -0.412 0.000 1.143 338 Y CA 0.451 58.073 58.100 -0.797 0.000 1.289 338 Y CB -1.061 36.594 38.460 -1.341 0.000 0.983 338 Y HN 0.397 nan 8.280 nan 0.000 0.556 339 N N -0.917 117.679 118.700 -0.173 0.000 2.453 339 N HA -0.166 4.574 4.740 -0.000 0.000 0.183 339 N C 0.851 176.217 175.510 -0.240 0.000 1.041 339 N CA 0.983 53.977 53.050 -0.092 0.000 0.900 339 N CB -0.546 37.848 38.487 -0.155 0.000 0.961 339 N HN 0.395 nan 8.380 nan 0.000 0.443 340 Y N -0.348 119.829 120.300 -0.205 0.000 2.468 340 Y HA 0.314 4.864 4.550 -0.000 0.000 0.268 340 Y C 1.012 176.603 175.900 -0.516 0.000 1.177 340 Y CA 0.072 57.968 58.100 -0.340 0.000 1.265 340 Y CB 0.358 38.464 38.460 -0.590 0.000 1.103 340 Y HN -0.066 nan 8.280 nan 0.000 0.522 341 L N -0.377 120.575 121.223 -0.452 0.000 3.202 341 L HA 0.237 4.577 4.340 -0.000 0.000 0.278 341 L C -0.785 175.473 176.870 -1.020 0.000 1.268 341 L CA -0.334 54.058 54.840 -0.746 0.000 1.034 341 L CB -0.163 41.336 42.059 -0.933 0.000 1.407 341 L HN 0.078 nan 8.230 nan 0.000 0.581 342 Y N 0.163 120.130 120.300 -0.555 0.000 2.411 342 Y HA 0.026 4.576 4.550 -0.000 0.000 0.333 342 Y C 1.533 177.218 175.900 -0.357 0.000 1.186 342 Y CA -0.031 57.835 58.100 -0.391 0.000 1.381 342 Y CB 0.879 39.260 38.460 -0.132 0.000 1.273 342 Y HN 0.076 nan 8.280 nan 0.000 0.546 343 L N 2.116 123.254 121.223 -0.142 0.000 2.079 343 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 343 L C 2.360 179.164 176.870 -0.111 0.000 1.081 343 L CA 1.320 56.026 54.840 -0.222 0.000 0.752 343 L CB -0.645 41.362 42.059 -0.086 0.000 0.896 343 L HN 0.886 nan 8.230 nan 0.000 0.433 344 A N 0.620 123.456 122.820 0.026 0.000 1.940 344 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 344 A C 1.982 179.568 177.584 0.003 0.000 1.176 344 A CA 2.320 54.376 52.037 0.031 0.000 0.631 344 A CB -0.722 18.311 19.000 0.055 0.000 0.814 344 A HN 0.558 nan 8.150 nan 0.000 0.446 345 N N -0.295 118.397 118.700 -0.014 0.000 2.250 345 N HA 0.075 4.815 4.740 -0.000 0.000 0.181 345 N C 1.462 176.964 175.510 -0.014 0.000 1.017 345 N CA 0.922 53.969 53.050 -0.005 0.000 0.866 345 N CB -0.206 38.282 38.487 0.001 0.000 0.985 345 N HN 0.394 nan 8.380 nan 0.000 0.429 346 L N 0.450 121.588 121.223 -0.141 0.000 2.275 346 L HA -0.010 4.330 4.340 -0.000 0.000 0.215 346 L C 1.605 178.501 176.870 0.045 0.000 1.119 346 L CA 0.863 55.597 54.840 -0.177 0.000 0.790 346 L CB -0.100 41.551 42.059 -0.681 0.000 0.919 346 L HN 0.131 nan 8.230 nan 0.000 0.443 347 R N -0.369 120.141 120.500 0.017 0.000 2.317 347 R HA 0.093 4.433 4.340 -0.000 0.000 0.208 347 R C 0.265 176.666 176.300 0.168 0.000 0.914 347 R CA -0.140 56.045 56.100 0.142 0.000 1.060 347 R CB 0.155 30.486 30.300 0.051 0.000 1.015 347 R HN 0.401 nan 8.270 nan 0.000 0.498 348 E N 1.049 121.358 120.200 0.182 0.000 2.392 348 E HA 0.030 4.380 4.350 -0.000 0.000 0.256 348 E C -0.179 176.585 176.600 0.274 0.000 1.145 348 E CA -0.347 56.156 56.400 0.172 0.000 0.929 348 E CB 0.488 30.261 29.700 0.122 0.000 0.998 348 E HN 0.077 nan 8.360 nan 0.000 0.442 349 N N 0.921 119.748 118.700 0.211 0.000 2.371 349 N HA -0.100 4.640 4.740 -0.000 0.000 0.243 349 N C 0.591 176.324 175.510 0.371 0.000 1.287 349 N CA 0.051 53.265 53.050 0.274 0.000 0.911 349 N CB 0.402 38.994 38.487 0.175 0.000 1.142 349 N HN 0.643 nan 8.380 nan 0.000 0.451 350 W N 1.513 122.963 121.300 0.249 0.000 2.355 350 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 350 W C 1.120 177.691 176.519 0.087 0.000 1.206 350 W CA 1.001 58.477 57.345 0.219 0.000 1.284 350 W CB 0.236 29.844 29.460 0.247 0.000 1.145 350 W HN 0.520 nan 8.180 nan 0.000 0.502 351 E N 0.813 121.001 120.200 -0.020 0.000 2.118 351 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 351 E C 1.633 178.125 176.600 -0.179 0.000 0.992 351 E CA 1.743 58.033 56.400 -0.184 0.000 0.804 351 E CB -0.392 29.290 29.700 -0.031 0.000 0.741 351 E HN 0.412 nan 8.360 nan 0.000 0.458 352 E N 0.136 120.299 120.200 -0.061 0.000 2.107 352 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 352 E C 2.248 178.814 176.600 -0.056 0.000 0.982 352 E CA 0.344 56.726 56.400 -0.031 0.000 0.809 352 E CB -0.272 29.448 29.700 0.033 0.000 0.756 352 E HN 0.003 nan 8.360 nan 0.000 0.459 353 V N 1.393 121.260 119.914 -0.079 0.000 2.287 353 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 353 V C 1.985 177.939 176.094 -0.233 0.000 1.053 353 V CA 1.931 64.174 62.300 -0.094 0.000 1.027 353 V CB -0.395 31.397 31.823 -0.050 0.000 0.646 353 V HN 0.238 nan 8.190 nan 0.000 0.447 354 K N -0.039 119.996 120.400 -0.609 0.000 2.026 354 K HA -0.238 4.082 4.320 -0.000 0.000 0.208 354 K C 2.302 178.790 176.600 -0.187 0.000 1.048 354 K CA 1.635 57.543 56.287 -0.632 0.000 0.929 354 K CB -0.266 31.626 32.500 -1.014 0.000 0.713 354 K HN 0.329 nan 8.250 nan 0.000 0.439 355 K N 1.003 121.312 120.400 -0.152 0.000 2.063 355 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 355 K C 1.711 178.340 176.600 0.049 0.000 1.048 355 K CA 1.465 57.731 56.287 -0.035 0.000 0.928 355 K CB 0.016 32.498 32.500 -0.031 0.000 0.713 355 K HN 0.083 nan 8.250 nan 0.000 0.442 356 N N 0.351 119.095 118.700 0.073 0.000 2.289 356 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 356 N C 1.239 176.927 175.510 0.297 0.000 1.016 356 N CA 1.171 54.324 53.050 0.172 0.000 0.872 356 N CB -0.097 38.489 38.487 0.166 0.000 0.973 356 N HN 0.249 nan 8.380 nan 0.000 0.433 357 A N 0.303 123.263 122.820 0.234 0.000 2.218 357 A HA 0.126 4.446 4.320 -0.000 0.000 0.209 357 A C 2.079 179.711 177.584 0.081 0.000 1.168 357 A CA -0.016 52.130 52.037 0.182 0.000 0.804 357 A CB -0.075 19.015 19.000 0.149 0.000 0.834 357 A HN 0.094 nan 8.150 nan 0.000 0.482 358 R N 0.264 120.831 120.500 0.111 0.000 2.103 358 R HA -0.147 4.192 4.340 -0.000 0.000 0.242 358 R C 1.142 177.482 176.300 0.066 0.000 1.142 358 R CA 1.941 58.087 56.100 0.077 0.000 0.960 358 R CB -0.150 30.194 30.300 0.073 0.000 0.858 358 R HN 0.406 nan 8.270 nan 0.000 0.439 359 K N -0.485 119.980 120.400 0.109 0.000 2.387 359 K HA 0.232 4.552 4.320 -0.000 0.000 0.198 359 K C -0.035 176.629 176.600 0.105 0.000 1.022 359 K CA -0.221 56.136 56.287 0.116 0.000 1.128 359 K CB 1.193 33.788 32.500 0.159 0.000 0.853 359 K HN 0.111 nan 8.250 nan 0.000 0.523 360 A N 2.669 125.464 122.820 -0.042 0.000 2.406 360 A HA 0.253 4.573 4.320 -0.000 0.000 0.243 360 A C -2.257 175.318 177.584 -0.015 0.000 1.082 360 A CA -1.115 50.742 52.037 -0.300 0.000 0.786 360 A CB -0.232 18.390 19.000 -0.631 0.000 1.029 360 A HN -0.020 nan 8.150 nan 0.000 0.495 361 P HA 0.074 nan 4.420 nan 0.000 0.266 361 P C -0.684 176.829 177.300 0.354 0.000 1.195 361 P CA 0.182 63.431 63.100 0.248 0.000 0.768 361 P CB 0.350 32.267 31.700 0.362 0.000 0.838 362 Q N 3.910 123.843 119.800 0.221 0.000 2.256 362 Q HA 0.275 4.615 4.340 -0.000 0.000 0.254 362 Q C -2.093 173.891 176.000 -0.027 0.000 0.916 362 Q CA -1.781 54.078 55.803 0.093 0.000 0.932 362 Q CB 0.923 29.663 28.738 0.003 0.000 1.207 362 Q HN 0.375 nan 8.270 nan 0.000 0.426 363 P HA 0.143 nan 4.420 nan 0.000 0.275 363 P C -0.857 176.228 177.300 -0.359 0.000 1.228 363 P CA -0.050 62.556 63.100 -0.823 0.000 0.786 363 P CB 1.085 32.006 31.700 -1.297 0.000 0.927 364 E N 1.283 121.293 120.200 -0.317 0.000 2.388 364 E HA 0.290 4.640 4.350 -0.000 0.000 0.289 364 E C -1.581 174.933 176.600 -0.143 0.000 0.944 364 E CA -0.730 55.582 56.400 -0.147 0.000 0.792 364 E CB 1.732 31.345 29.700 -0.145 0.000 1.239 364 E HN 0.055 nan 8.360 nan 0.000 0.412 365 V N 4.519 124.405 119.914 -0.046 0.000 2.461 365 V HA 0.461 4.581 4.120 -0.000 0.000 0.275 365 V C 0.101 176.112 176.094 -0.138 0.000 1.047 365 V CA -0.020 62.228 62.300 -0.086 0.000 0.955 365 V CB 0.883 32.645 31.823 -0.101 0.000 0.988 365 V HN 0.582 nan 8.190 nan 0.000 0.471 366 R N 3.634 124.024 120.500 -0.183 0.000 2.686 366 R HA 0.587 4.927 4.340 -0.000 0.000 0.283 366 R C -0.580 175.575 176.300 -0.243 0.000 0.978 366 R CA -0.922 55.013 56.100 -0.276 0.000 0.897 366 R CB 2.624 32.676 30.300 -0.413 0.000 1.192 366 R HN 0.659 nan 8.270 nan 0.000 0.457 367 R N 2.804 123.126 120.500 -0.297 0.000 2.255 367 R HA 0.272 4.612 4.340 -0.000 0.000 0.326 367 R C -1.242 174.836 176.300 -0.371 0.000 0.986 367 R CA -0.283 55.683 56.100 -0.222 0.000 0.847 367 R CB 0.583 30.784 30.300 -0.164 0.000 1.111 367 R HN 0.538 nan 8.270 nan 0.000 0.452 368 Y N 2.478 122.695 120.300 -0.137 0.000 2.387 368 Y HA 0.446 4.996 4.550 -0.000 0.000 0.330 368 Y C -0.174 175.636 175.900 -0.150 0.000 1.133 368 Y CA -0.660 57.354 58.100 -0.142 0.000 1.152 368 Y CB 2.223 40.598 38.460 -0.143 0.000 1.215 368 Y HN 0.192 nan 8.280 nan 0.000 0.466 369 V N 4.550 124.472 119.914 0.013 0.000 2.483 369 V HA 0.351 4.471 4.120 -0.000 0.000 0.297 369 V C -1.149 174.949 176.094 0.008 0.000 1.027 369 V CA -0.780 61.498 62.300 -0.037 0.000 0.855 369 V CB 1.448 33.202 31.823 -0.115 0.000 0.995 369 V HN 0.397 nan 8.190 nan 0.000 0.424 370 L N 7.927 129.130 121.223 -0.034 0.000 2.298 370 L HA 0.584 4.924 4.340 -0.000 0.000 0.284 370 L C -2.422 174.499 176.870 0.084 0.000 1.013 370 L CA -1.981 52.778 54.840 -0.136 0.000 0.824 370 L CB 1.440 43.116 42.059 -0.639 0.000 1.221 370 L HN 0.383 nan 8.230 nan 0.000 0.418 371 P HA 0.198 nan 4.420 nan 0.000 0.271 371 P C 0.671 177.938 177.300 -0.055 0.000 1.216 371 P CA -0.130 62.973 63.100 0.006 0.000 0.771 371 P CB 0.927 32.685 31.700 0.098 0.000 0.864 372 L N 1.078 122.143 121.223 -0.262 0.000 2.249 372 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 372 L C 0.640 177.425 176.870 -0.142 0.000 1.090 372 L CA 0.801 55.535 54.840 -0.177 0.000 0.802 372 L CB -0.287 41.626 42.059 -0.244 0.000 0.947 372 L HN 0.331 nan 8.230 nan 0.000 0.453 373 N N 1.433 120.010 118.700 -0.206 0.000 2.426 373 N HA 0.302 5.042 4.740 -0.000 0.000 0.257 373 N C -0.661 174.785 175.510 -0.105 0.000 1.002 373 N CA -0.106 52.861 53.050 -0.139 0.000 0.942 373 N CB 1.854 40.252 38.487 -0.149 0.000 1.112 373 N HN -0.062 nan 8.380 nan 0.000 0.499 374 I N 1.530 122.055 120.570 -0.075 0.000 2.354 374 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 374 I C 0.158 176.247 176.117 -0.046 0.000 1.007 374 I CA -0.652 60.612 61.300 -0.058 0.000 1.167 374 I CB 0.952 38.905 38.000 -0.077 0.000 1.320 374 I HN 0.291 nan 8.210 nan 0.000 0.458 375 D N 6.610 126.992 120.400 -0.032 0.000 2.349 375 D HA 0.186 4.826 4.640 -0.000 0.000 0.232 375 D C 0.986 177.275 176.300 -0.017 0.000 1.071 375 D CA -0.376 53.610 54.000 -0.023 0.000 0.832 375 D CB 1.545 42.334 40.800 -0.017 0.000 1.086 375 D HN 0.187 nan 8.370 nan 0.000 0.504 376 K N 2.712 123.101 120.400 -0.020 0.000 2.218 376 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 376 K C 1.571 178.165 176.600 -0.011 0.000 1.046 376 K CA 1.016 57.293 56.287 -0.017 0.000 0.933 376 K CB -0.324 32.165 32.500 -0.018 0.000 0.728 376 K HN 0.558 nan 8.250 nan 0.000 0.454 377 A N 1.616 124.431 122.820 -0.008 0.000 2.024 377 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 377 A C 1.235 178.818 177.584 -0.001 0.000 1.164 377 A CA 1.600 53.635 52.037 -0.005 0.000 0.643 377 A CB -0.156 18.841 19.000 -0.004 0.000 0.806 377 A HN 0.188 nan 8.150 nan 0.000 0.451 378 D N 0.066 120.467 120.400 0.001 0.000 2.325 378 D HA 0.065 4.705 4.640 -0.000 0.000 0.225 378 D C -0.060 176.245 176.300 0.009 0.000 1.096 378 D CA 0.268 54.273 54.000 0.009 0.000 0.844 378 D CB -0.258 40.552 40.800 0.016 0.000 0.925 378 D HN 0.203 nan 8.370 nan 0.000 0.513 379 T N 0.054 114.610 114.554 0.002 0.000 2.866 379 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 379 T C 1.480 176.183 174.700 0.005 0.000 1.005 379 T CA 1.047 63.147 62.100 0.001 0.000 1.162 379 T CB 0.903 69.767 68.868 -0.006 0.000 0.968 379 T HN 0.368 nan 8.240 nan 0.000 0.530 380 G N 2.798 111.604 108.800 0.011 0.000 2.175 380 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 380 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 380 G C 0.071 174.982 174.900 0.020 0.000 0.982 380 G CA 0.017 45.124 45.100 0.012 0.000 0.641 380 G HN 0.658 nan 8.290 nan 0.000 0.527 381 K N -0.307 120.109 120.400 0.026 0.000 2.306 381 K HA 0.495 4.815 4.320 -0.000 0.000 0.236 381 K C -0.449 176.178 176.600 0.046 0.000 1.013 381 K CA -1.034 55.271 56.287 0.030 0.000 0.857 381 K CB 0.966 33.480 32.500 0.024 0.000 1.214 381 K HN 0.061 nan 8.250 nan 0.000 0.449 382 N N 1.687 120.413 118.700 0.044 0.000 2.442 382 N HA 0.057 4.797 4.740 -0.000 0.000 0.265 382 N C 0.274 175.821 175.510 0.061 0.000 1.138 382 N CA 0.086 53.167 53.050 0.053 0.000 0.956 382 N CB 0.367 38.874 38.487 0.032 0.000 1.067 382 N HN 0.538 nan 8.380 nan 0.000 0.474 383 L N 2.388 123.669 121.223 0.096 0.000 2.558 383 L HA 0.156 4.496 4.340 -0.000 0.000 0.225 383 L C 0.238 177.240 176.870 0.220 0.000 1.128 383 L CA 0.093 55.022 54.840 0.149 0.000 0.868 383 L CB 0.129 42.289 42.059 0.169 0.000 1.006 383 L HN 0.338 nan 8.230 nan 0.000 0.454 384 V N 1.222 121.186 119.914 0.082 0.000 2.313 384 V HA -0.000 4.120 4.120 -0.000 0.000 0.252 384 V C 1.461 177.426 176.094 -0.214 0.000 1.112 384 V CA 0.427 62.637 62.300 -0.150 0.000 0.984 384 V CB 0.378 32.080 31.823 -0.202 0.000 1.157 384 V HN 0.384 nan 8.190 nan 0.000 0.493 385 T N 1.712 116.152 114.554 -0.191 0.000 3.129 385 T HA 0.271 4.621 4.350 -0.000 0.000 0.251 385 T C 0.522 175.080 174.700 -0.237 0.000 1.117 385 T CA -0.153 61.870 62.100 -0.128 0.000 1.034 385 T CB -0.267 68.615 68.868 0.023 0.000 0.968 385 T HN 0.335 nan 8.240 nan 0.000 0.526 386 L N 2.557 123.515 121.223 -0.441 0.000 2.514 386 L HA 0.179 4.519 4.340 -0.000 0.000 0.280 386 L C -0.637 176.114 176.870 -0.198 0.000 1.223 386 L CA -1.472 53.160 54.840 -0.347 0.000 0.864 386 L CB 0.298 42.112 42.059 -0.409 0.000 1.118 386 L HN 0.050 nan 8.230 nan 0.000 0.494 387 P HA -0.043 nan 4.420 nan 0.000 0.227 387 P C 0.273 177.527 177.300 -0.076 0.000 1.161 387 P CA 0.927 63.977 63.100 -0.084 0.000 0.788 387 P CB 0.330 32.001 31.700 -0.048 0.000 0.822 388 N N -0.641 118.013 118.700 -0.077 0.000 2.338 388 N HA 0.098 4.838 4.740 -0.000 0.000 0.251 388 N C -0.144 175.314 175.510 -0.087 0.000 1.199 388 N CA 0.250 53.260 53.050 -0.067 0.000 0.879 388 N CB 0.934 39.395 38.487 -0.043 0.000 1.159 388 N HN 0.087 nan 8.380 nan 0.000 0.514 389 T N -0.827 113.660 114.554 -0.112 0.000 2.896 389 T HA 0.336 4.686 4.350 -0.000 0.000 0.297 389 T C 0.729 175.357 174.700 -0.120 0.000 1.108 389 T CA -0.424 61.601 62.100 -0.125 0.000 1.004 389 T CB 1.290 70.065 68.868 -0.155 0.000 1.159 389 T HN 0.137 nan 8.240 nan 0.000 0.499 390 T N 0.312 114.795 114.554 -0.118 0.000 3.054 390 T HA 0.553 4.903 4.350 -0.000 0.000 0.255 390 T C 0.885 175.517 174.700 -0.112 0.000 1.035 390 T CA 0.094 62.131 62.100 -0.104 0.000 0.941 390 T CB -0.046 68.765 68.868 -0.094 0.000 1.026 390 T HN 0.784 nan 8.240 nan 0.000 0.533 391 A N 2.345 125.081 122.820 -0.140 0.000 2.520 391 A HA 0.531 4.851 4.320 -0.000 0.000 0.235 391 A C 0.811 178.337 177.584 -0.096 0.000 1.065 391 A CA 0.045 51.998 52.037 -0.141 0.000 0.764 391 A CB -0.118 18.782 19.000 -0.167 0.000 1.002 391 A HN 0.706 nan 8.150 nan 0.000 0.502 392 T N -1.932 112.592 114.554 -0.050 0.000 2.901 392 T HA 0.797 5.147 4.350 -0.000 0.000 0.293 392 T C -0.681 174.047 174.700 0.047 0.000 1.084 392 T CA -0.126 61.975 62.100 0.002 0.000 1.008 392 T CB 1.964 70.853 68.868 0.035 0.000 1.170 392 T HN 2.051 nan 8.240 nan 0.000 0.509 393 A N 1.904 124.773 122.820 0.082 0.000 2.497 393 A HA 0.664 4.984 4.320 -0.000 0.000 0.280 393 A C -0.928 176.735 177.584 0.130 0.000 1.065 393 A CA -0.776 51.333 52.037 0.120 0.000 0.781 393 A CB 0.472 19.563 19.000 0.150 0.000 1.289 393 A HN 0.859 nan 8.150 nan 0.000 0.415 394 I N 2.707 123.373 120.570 0.160 0.000 2.321 394 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 394 I C -0.277 175.909 176.117 0.115 0.000 0.998 394 I CA -0.781 60.603 61.300 0.140 0.000 1.227 394 I CB 1.648 39.751 38.000 0.172 0.000 1.368 394 I HN 0.608 nan 8.210 nan 0.000 0.466 395 L N 8.007 129.272 121.223 0.069 0.000 2.315 395 L HA 0.320 4.660 4.340 -0.000 0.000 0.283 395 L C -0.246 176.638 176.870 0.024 0.000 1.089 395 L CA 0.315 55.175 54.840 0.034 0.000 0.833 395 L CB 0.127 42.196 42.059 0.015 0.000 1.170 395 L HN 0.669 nan 8.230 nan 0.000 0.442 396 C N 2.199 121.509 119.300 0.016 0.000 2.347 396 C HA 0.345 4.805 4.460 -0.000 0.000 0.366 396 C C 2.044 177.025 174.990 -0.014 0.000 1.241 396 C CA -0.478 58.542 59.018 0.003 0.000 2.360 396 C CB 1.389 29.132 27.740 0.005 0.000 2.290 396 C HN 0.979 nan 8.230 nan 0.000 0.587 397 S N 1.413 117.102 115.700 -0.018 0.000 2.402 397 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 397 S C 1.427 176.011 174.600 -0.027 0.000 1.021 397 S CA 1.666 59.854 58.200 -0.021 0.000 0.974 397 S CB -0.355 62.834 63.200 -0.019 0.000 0.800 397 S HN 0.947 nan 8.310 nan 0.000 0.484 398 D N 0.693 121.075 120.400 -0.031 0.000 2.352 398 D HA -0.037 4.603 4.640 -0.000 0.000 0.232 398 D C 0.394 176.662 176.300 -0.053 0.000 1.055 398 D CA 0.336 54.313 54.000 -0.038 0.000 0.891 398 D CB -0.525 40.252 40.800 -0.038 0.000 0.897 398 D HN 0.472 nan 8.370 nan 0.000 0.529 399 E N -1.406 118.761 120.200 -0.054 0.000 4.129 399 E HA -0.184 4.166 4.350 -0.000 0.000 0.354 399 E C -0.233 176.302 176.600 -0.108 0.000 0.673 399 E CA 1.011 57.366 56.400 -0.076 0.000 1.347 399 E CB -2.103 27.549 29.700 -0.079 0.000 1.722 399 E HN 0.612 nan 8.360 nan 0.000 0.410 400 T N -0.575 113.921 114.554 -0.095 0.000 2.900 400 T HA 0.458 4.808 4.350 -0.000 0.000 0.307 400 T C 0.293 174.960 174.700 -0.054 0.000 1.065 400 T CA -0.165 61.868 62.100 -0.110 0.000 1.105 400 T CB 1.000 69.823 68.868 -0.075 0.000 0.979 400 T HN 0.157 nan 8.240 nan 0.000 0.544 401 I N 2.386 122.916 120.570 -0.066 0.000 2.405 401 I HA 0.237 4.407 4.170 -0.000 0.000 0.280 401 I C -0.177 176.008 176.117 0.113 0.000 1.027 401 I CA -0.607 60.702 61.300 0.015 0.000 1.161 401 I CB 0.937 38.904 38.000 -0.054 0.000 1.300 401 I HN 0.685 nan 8.210 nan 0.000 0.463 402 W N 8.303 129.610 121.300 0.012 0.000 2.345 402 W HA 0.420 5.080 4.660 -0.000 0.000 0.308 402 W C -1.426 175.145 176.519 0.086 0.000 1.273 402 W CA -0.466 56.902 57.345 0.039 0.000 1.243 402 W CB 0.781 30.256 29.460 0.026 0.000 1.260 402 W HN 0.318 nan 8.180 nan 0.000 0.509 403 L N 6.198 127.111 121.223 -0.516 0.000 2.322 403 L HA 0.400 4.740 4.340 -0.000 0.000 0.279 403 L C 0.274 177.001 176.870 -0.237 0.000 1.036 403 L CA -0.756 53.955 54.840 -0.214 0.000 0.807 403 L CB 1.594 43.616 42.059 -0.063 0.000 1.226 403 L HN 0.289 nan 8.230 nan 0.000 0.433 404 E N 3.119 123.311 120.200 -0.013 0.000 2.238 404 E HA 0.469 4.819 4.350 -0.000 0.000 0.267 404 E C -2.546 173.954 176.600 -0.166 0.000 0.887 404 E CA -1.760 54.639 56.400 -0.001 0.000 0.769 404 E CB 2.594 32.332 29.700 0.063 0.000 1.187 404 E HN 0.271 nan 8.360 nan 0.000 0.416 405 P HA 0.167 nan 4.420 nan 0.000 0.282 405 P C -0.644 176.427 177.300 -0.381 0.000 1.259 405 P CA -0.465 62.199 63.100 -0.727 0.000 0.826 405 P CB 1.053 32.134 31.700 -1.030 0.000 1.064 406 E N 1.167 121.155 120.200 -0.353 0.000 2.194 406 E HA 0.259 4.609 4.350 -0.000 0.000 0.284 406 E C -0.782 175.669 176.600 -0.249 0.000 1.035 406 E CA -0.728 55.526 56.400 -0.244 0.000 0.836 406 E CB 0.593 30.175 29.700 -0.195 0.000 1.070 406 E HN 0.105 nan 8.360 nan 0.000 0.401 407 V N 7.064 126.858 119.914 -0.199 0.000 2.508 407 V HA 0.019 4.139 4.120 -0.000 0.000 0.281 407 V C 1.134 177.141 176.094 -0.145 0.000 1.041 407 V CA 0.133 62.327 62.300 -0.176 0.000 1.016 407 V CB 0.961 32.694 31.823 -0.151 0.000 0.984 407 V HN 0.819 nan 8.190 nan 0.000 0.478 408 L N 4.639 125.786 121.223 -0.126 0.000 2.408 408 L HA 0.402 4.742 4.340 -0.000 0.000 0.215 408 L C 0.173 177.027 176.870 -0.027 0.000 1.081 408 L CA 0.712 55.492 54.840 -0.100 0.000 0.840 408 L CB 0.251 42.238 42.059 -0.120 0.000 1.002 408 L HN 0.580 nan 8.230 nan 0.000 0.468 409 F N -0.399 119.428 119.950 -0.205 0.000 2.639 409 F HA 0.530 5.057 4.527 -0.000 0.000 0.320 409 F C -1.081 174.626 175.800 -0.156 0.000 1.128 409 F CA -0.655 57.232 58.000 -0.189 0.000 1.037 409 F CB 1.798 40.642 39.000 -0.261 0.000 1.288 409 F HN -0.350 nan 8.300 nan 0.000 0.463 410 S N 3.563 118.941 115.700 -0.537 0.000 2.652 410 S HA 0.748 5.218 4.470 -0.000 0.000 0.273 410 S C -0.935 173.404 174.600 -0.436 0.000 1.172 410 S CA 0.000 58.005 58.200 -0.325 0.000 1.009 410 S CB 0.917 63.994 63.200 -0.205 0.000 1.094 410 S HN 1.312 nan 8.310 nan 0.000 0.471 411 G N 3.806 112.437 108.800 -0.282 0.000 2.571 411 G HA2 0.672 4.632 3.960 -0.000 0.000 0.304 411 G HA3 0.672 4.632 3.960 -0.000 0.000 0.304 411 G C -3.390 171.447 174.900 -0.106 0.000 1.314 411 G CA -1.733 43.246 45.100 -0.200 0.000 0.975 411 G HN 0.445 nan 8.290 nan 0.000 0.485 412 P HA 0.165 nan 4.420 nan 0.000 0.264 412 P C 0.263 177.476 177.300 -0.144 0.000 1.229 412 P CA 0.004 63.048 63.100 -0.094 0.000 0.780 412 P CB 0.350 32.015 31.700 -0.058 0.000 0.808 413 R N 0.278 120.659 120.500 -0.199 0.000 3.741 413 R HA -0.246 4.094 4.340 -0.000 0.000 0.292 413 R C 0.110 176.262 176.300 -0.248 0.000 1.176 413 R CA 0.671 56.565 56.100 -0.343 0.000 0.794 413 R CB -1.939 27.923 30.300 -0.730 0.000 1.213 413 R HN 0.459 nan 8.270 nan 0.000 0.494 414 Q N 0.505 120.256 119.800 -0.081 0.000 2.363 414 Q HA 0.609 4.949 4.340 -0.000 0.000 0.265 414 Q C -1.052 175.036 176.000 0.146 0.000 1.032 414 Q CA -0.105 55.741 55.803 0.071 0.000 0.746 414 Q CB 1.815 30.632 28.738 0.131 0.000 1.237 414 Q HN 0.338 nan 8.270 nan 0.000 0.475 415 A N 3.714 126.598 122.820 0.106 0.000 2.309 415 A HA 0.586 4.906 4.320 -0.000 0.000 0.298 415 A C -1.176 176.481 177.584 0.121 0.000 1.165 415 A CA -0.497 51.561 52.037 0.035 0.000 0.821 415 A CB 0.256 19.249 19.000 -0.011 0.000 1.102 415 A HN 0.778 nan 8.150 nan 0.000 0.500 416 F N 2.597 122.432 119.950 -0.193 0.000 2.390 416 F HA 0.496 5.023 4.527 -0.000 0.000 0.361 416 F C 0.237 175.990 175.800 -0.078 0.000 1.124 416 F CA 0.243 58.053 58.000 -0.317 0.000 1.149 416 F CB 0.425 38.911 39.000 -0.857 0.000 1.160 416 F HN 0.614 nan 8.300 nan 0.000 0.501 417 E N 4.073 124.189 120.200 -0.141 0.000 2.450 417 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 417 E C -0.558 176.085 176.600 0.071 0.000 0.967 417 E CA -0.870 55.580 56.400 0.082 0.000 0.818 417 E CB 1.590 31.474 29.700 0.307 0.000 1.401 417 E HN 0.554 nan 8.360 nan 0.000 0.450 418 F N -0.262 119.718 119.950 0.051 0.000 2.866 418 F HA -0.185 4.342 4.527 -0.000 0.000 0.254 418 F C -1.970 173.771 175.800 -0.100 0.000 1.009 418 F CA 0.192 58.136 58.000 -0.093 0.000 0.907 418 F CB -1.318 37.683 39.000 0.002 0.000 0.859 418 F HN 0.009 nan 8.300 nan 0.000 0.842 419 P HA 0.158 nan 4.420 nan 0.000 0.279 419 P C -0.313 177.085 177.300 0.163 0.000 1.239 419 P CA 0.033 63.189 63.100 0.093 0.000 0.789 419 P CB 1.458 33.291 31.700 0.223 0.000 0.933 420 Q N 1.688 121.632 119.800 0.240 0.000 2.423 420 Q HA 0.609 4.949 4.340 -0.000 0.000 0.278 420 Q C 0.114 176.338 176.000 0.374 0.000 1.097 420 Q CA -0.730 55.243 55.803 0.283 0.000 0.809 420 Q CB 2.831 31.733 28.738 0.274 0.000 1.391 420 Q HN 0.547 nan 8.270 nan 0.000 0.428 421 I N -1.965 118.802 120.570 0.328 0.000 3.294 421 I HA 0.551 4.721 4.170 -0.000 0.000 0.311 421 I C 0.085 176.334 176.117 0.219 0.000 1.111 421 I CA -1.145 60.321 61.300 0.276 0.000 0.976 421 I CB 1.560 39.657 38.000 0.162 0.000 1.260 421 I HN 0.295 nan 8.210 nan 0.000 0.474 422 N N 1.490 120.198 118.700 0.012 0.000 2.605 422 N HA -0.013 4.727 4.740 -0.000 0.000 0.282 422 N C 0.181 175.883 175.510 0.321 0.000 1.206 422 N CA 0.268 53.370 53.050 0.087 0.000 1.074 422 N CB -0.541 37.860 38.487 -0.143 0.000 1.434 422 N HN 0.772 nan 8.380 nan 0.000 0.506 423 Y N 2.236 122.670 120.300 0.224 0.000 2.200 423 Y HA -0.174 4.376 4.550 -0.000 0.000 0.290 423 Y C 2.241 178.240 175.900 0.166 0.000 1.137 423 Y CA 1.761 59.967 58.100 0.177 0.000 1.163 423 Y CB 0.099 38.661 38.460 0.171 0.000 0.988 423 Y HN 0.571 nan 8.280 nan 0.000 0.518 424 Q N 0.317 120.322 119.800 0.342 0.000 2.135 424 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 424 Q C 2.102 178.130 176.000 0.046 0.000 0.981 424 Q CA 2.114 58.038 55.803 0.203 0.000 0.856 424 Q CB -0.101 28.784 28.738 0.243 0.000 0.902 424 Q HN 0.455 nan 8.270 nan 0.000 0.425 425 K N -1.679 118.765 120.400 0.073 0.000 2.348 425 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 425 K C 0.344 176.701 176.600 -0.405 0.000 1.052 425 K CA 0.256 56.462 56.287 -0.135 0.000 1.004 425 K CB 0.544 32.990 32.500 -0.089 0.000 0.873 425 K HN 0.182 nan 8.250 nan 0.000 0.523 426 Y N -0.624 119.633 120.300 -0.071 0.000 2.527 426 Y HA 0.313 4.863 4.550 -0.000 0.000 0.247 426 Y C 0.746 176.520 175.900 -0.210 0.000 1.138 426 Y CA -0.559 57.478 58.100 -0.104 0.000 1.228 426 Y CB 0.939 39.381 38.460 -0.029 0.000 1.252 426 Y HN -0.050 nan 8.280 nan 0.000 0.531 427 G N 0.216 108.884 108.800 -0.220 0.000 2.313 427 G HA2 0.360 4.320 3.960 -0.000 0.000 0.250 427 G HA3 0.360 4.320 3.960 -0.000 0.000 0.250 427 G C 1.107 175.807 174.900 -0.333 0.000 1.281 427 G CA 0.520 45.353 45.100 -0.445 0.000 0.917 427 G HN 0.661 nan 8.290 nan 0.000 0.501 428 G N 1.260 109.924 108.800 -0.227 0.000 2.159 428 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.256 428 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.256 428 G C 0.376 175.265 174.900 -0.018 0.000 0.977 428 G CA 0.863 45.880 45.100 -0.138 0.000 0.652 428 G HN 0.850 nan 8.290 nan 0.000 0.531 429 K N -0.024 120.360 120.400 -0.027 0.000 2.443 429 K HA 0.535 4.855 4.320 -0.000 0.000 0.251 429 K C -2.832 173.636 176.600 -0.220 0.000 0.972 429 K CA -2.516 53.745 56.287 -0.044 0.000 0.833 429 K CB 2.358 34.791 32.500 -0.113 0.000 1.317 429 K HN -0.143 nan 8.250 nan 0.000 0.441 430 P HA -0.136 nan 4.420 nan 0.000 0.261 430 P C -1.444 175.715 177.300 -0.234 0.000 1.165 430 P CA 0.697 63.264 63.100 -0.887 0.000 0.759 430 P CB 0.023 31.463 31.700 -0.434 0.000 0.772 431 Y N 0.083 120.088 120.300 -0.492 0.000 2.705 431 Y HA 0.631 5.181 4.550 -0.000 0.000 0.332 431 Y C 0.066 175.777 175.900 -0.315 0.000 1.221 431 Y CA -0.892 57.056 58.100 -0.255 0.000 1.059 431 Y CB 0.219 38.593 38.460 -0.143 0.000 1.298 431 Y HN 0.181 nan 8.280 nan 0.000 0.459 432 T N -0.827 113.288 114.554 -0.732 0.000 3.048 432 T HA 0.268 4.618 4.350 -0.000 0.000 0.254 432 T C -1.174 172.909 174.700 -1.028 0.000 0.942 432 T CA 0.400 61.909 62.100 -0.986 0.000 0.931 432 T CB 0.119 68.317 68.868 -1.117 0.000 1.220 432 T HN 0.490 nan 8.240 nan 0.000 0.503 433 Y N 1.247 121.333 120.300 -0.356 0.000 2.409 433 Y HA 0.783 5.333 4.550 -0.000 0.000 0.343 433 Y C -0.096 175.690 175.900 -0.190 0.000 0.973 433 Y CA -1.731 56.177 58.100 -0.320 0.000 1.064 433 Y CB 1.490 39.696 38.460 -0.423 0.000 1.207 433 Y HN 0.112 nan 8.280 nan 0.000 0.452 434 A N 2.382 125.160 122.820 -0.071 0.000 2.401 434 A HA 0.855 5.175 4.320 -0.000 0.000 0.310 434 A C -2.062 175.464 177.584 -0.098 0.000 1.075 434 A CA -0.775 51.290 52.037 0.046 0.000 0.746 434 A CB 0.858 20.034 19.000 0.293 0.000 1.277 434 A HN 0.673 nan 8.150 nan 0.000 0.425 435 Y N 0.235 120.746 120.300 0.350 0.000 2.429 435 Y HA 0.703 5.253 4.550 -0.000 0.000 0.342 435 Y C 0.864 176.783 175.900 0.031 0.000 1.004 435 Y CA -0.107 58.138 58.100 0.241 0.000 1.075 435 Y CB 2.610 41.151 38.460 0.135 0.000 1.214 435 Y HN 0.982 nan 8.280 nan 0.000 0.455 436 G N 1.134 109.845 108.800 -0.149 0.000 2.684 436 G HA2 0.523 4.483 3.960 -0.000 0.000 0.290 436 G HA3 0.523 4.483 3.960 -0.000 0.000 0.290 436 G C -2.490 172.222 174.900 -0.313 0.000 1.425 436 G CA -0.930 43.758 45.100 -0.687 0.000 0.822 436 G HN 0.496 nan 8.290 nan 0.000 0.482 437 L N 1.246 122.356 121.223 -0.188 0.000 2.275 437 L HA 0.747 5.087 4.340 -0.000 0.000 0.288 437 L C 0.704 177.596 176.870 0.036 0.000 1.046 437 L CA -0.403 54.439 54.840 0.003 0.000 0.805 437 L CB 1.136 43.246 42.059 0.086 0.000 1.193 437 L HN 0.665 nan 8.230 nan 0.000 0.426 438 G N 6.505 115.364 108.800 0.098 0.000 2.333 438 G HA2 0.494 4.454 3.960 -0.000 0.000 0.290 438 G HA3 0.494 4.454 3.960 -0.000 0.000 0.290 438 G C -0.793 174.240 174.900 0.221 0.000 1.150 438 G CA -0.550 44.647 45.100 0.162 0.000 0.895 438 G HN 0.613 nan 8.290 nan 0.000 0.444 439 L N 2.731 124.107 121.223 0.254 0.000 2.282 439 L HA 0.348 4.688 4.340 -0.000 0.000 0.288 439 L C -0.149 176.874 176.870 0.255 0.000 1.033 439 L CA -1.110 53.909 54.840 0.298 0.000 0.807 439 L CB 1.651 43.948 42.059 0.397 0.000 1.209 439 L HN 0.390 nan 8.230 nan 0.000 0.423 440 N N 2.466 121.355 118.700 0.314 0.000 2.546 440 N HA 0.169 4.909 4.740 -0.000 0.000 0.238 440 N C -0.249 175.555 175.510 0.489 0.000 0.984 440 N CA -0.459 52.832 53.050 0.403 0.000 0.935 440 N CB 0.034 38.845 38.487 0.540 0.000 1.122 440 N HN 0.573 nan 8.380 nan 0.000 0.510 441 H N 3.797 122.913 119.070 0.077 0.000 2.655 441 H HA -0.223 4.333 4.556 -0.000 0.000 0.313 441 H C -0.091 175.263 175.328 0.044 0.000 1.141 441 H CA 1.165 57.162 56.048 -0.085 0.000 1.138 441 H CB -1.866 27.845 29.762 -0.085 0.000 1.446 441 H HN 0.621 nan 8.280 nan 0.000 0.415 442 F N -5.069 115.053 119.950 0.288 0.000 2.544 442 F HA -0.271 4.256 4.527 -0.000 0.000 0.389 442 F C 0.380 176.321 175.800 0.234 0.000 0.588 442 F CA 0.659 58.807 58.000 0.246 0.000 1.461 442 F CB -1.500 37.585 39.000 0.141 0.000 1.995 442 F HN 0.137 nan 8.300 nan 0.000 0.282 443 V N 3.038 123.172 119.914 0.366 0.000 2.407 443 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 443 V C -1.719 174.524 176.094 0.248 0.000 1.037 443 V CA -1.585 60.853 62.300 0.231 0.000 0.900 443 V CB 1.413 33.255 31.823 0.031 0.000 0.983 443 V HN -0.187 nan 8.190 nan 0.000 0.459 444 P HA 0.229 nan 4.420 nan 0.000 0.276 444 P C -0.587 176.855 177.300 0.237 0.000 1.253 444 P CA 0.095 63.325 63.100 0.217 0.000 0.766 444 P CB 0.969 32.752 31.700 0.139 0.000 0.845 445 D N 3.276 123.799 120.400 0.205 0.000 2.563 445 D HA 0.059 4.699 4.640 -0.000 0.000 0.256 445 D C 0.281 176.664 176.300 0.139 0.000 1.400 445 D CA -0.147 53.940 54.000 0.145 0.000 0.800 445 D CB 0.537 41.449 40.800 0.186 0.000 1.145 445 D HN 0.473 nan 8.370 nan 0.000 0.501 446 R N -0.776 119.833 120.500 0.183 0.000 2.728 446 R HA 0.603 4.943 4.340 -0.000 0.000 0.274 446 R C -1.742 174.705 176.300 0.245 0.000 1.030 446 R CA -0.982 55.251 56.100 0.221 0.000 0.876 446 R CB 0.599 31.011 30.300 0.186 0.000 1.259 446 R HN -0.063 nan 8.270 nan 0.000 0.468 447 L N 0.762 122.182 121.223 0.328 0.000 2.346 447 L HA 0.709 5.049 4.340 -0.000 0.000 0.274 447 L C -0.821 176.222 176.870 0.289 0.000 1.007 447 L CA -0.980 54.017 54.840 0.261 0.000 0.818 447 L CB 2.199 44.404 42.059 0.245 0.000 1.284 447 L HN 0.646 nan 8.230 nan 0.000 0.424 448 C N 1.797 121.247 119.300 0.249 0.000 2.712 448 C HA 0.560 5.020 4.460 -0.000 0.000 0.308 448 C C -0.271 174.979 174.990 0.434 0.000 1.201 448 C CA -1.012 58.215 59.018 0.348 0.000 1.554 448 C CB 2.101 30.061 27.740 0.368 0.000 2.117 448 C HN 0.729 nan 8.230 nan 0.000 0.480 449 K N 1.671 122.352 120.400 0.468 0.000 2.371 449 K HA 0.829 5.149 4.320 -0.000 0.000 0.251 449 K C -1.920 174.937 176.600 0.428 0.000 0.934 449 K CA -0.524 55.983 56.287 0.367 0.000 0.798 449 K CB 1.664 34.295 32.500 0.218 0.000 1.204 449 K HN 0.616 nan 8.250 nan 0.000 0.427 450 L N 3.687 125.038 121.223 0.212 0.000 2.409 450 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 450 L C -1.321 175.634 176.870 0.142 0.000 0.980 450 L CA -0.449 54.449 54.840 0.096 0.000 0.826 450 L CB 1.704 43.556 42.059 -0.345 0.000 1.268 450 L HN 0.663 nan 8.230 nan 0.000 0.407 451 N N 3.673 122.520 118.700 0.245 0.000 2.406 451 N HA 0.091 4.831 4.740 -0.000 0.000 0.251 451 N C 0.952 176.384 175.510 -0.130 0.000 1.069 451 N CA 0.175 53.270 53.050 0.073 0.000 0.947 451 N CB 1.608 40.223 38.487 0.214 0.000 1.111 451 N HN 0.669 nan 8.380 nan 0.000 0.497 452 V N 2.176 121.918 119.914 -0.287 0.000 3.141 452 V HA 0.007 4.127 4.120 -0.000 0.000 0.265 452 V C 1.686 177.635 176.094 -0.241 0.000 1.126 452 V CA 1.123 63.255 62.300 -0.280 0.000 1.141 452 V CB -0.412 31.187 31.823 -0.373 0.000 0.743 452 V HN 0.478 nan 8.190 nan 0.000 0.492 453 K N 1.447 121.691 120.400 -0.260 0.000 2.098 453 K HA 0.014 4.334 4.320 -0.000 0.000 0.203 453 K C 2.164 178.684 176.600 -0.133 0.000 1.051 453 K CA 1.667 57.840 56.287 -0.191 0.000 0.957 453 K CB -0.153 32.221 32.500 -0.210 0.000 0.738 453 K HN 0.718 nan 8.250 nan 0.000 0.447 454 T N -2.350 112.135 114.554 -0.116 0.000 3.001 454 T HA 0.204 4.554 4.350 -0.000 0.000 0.251 454 T C 0.450 175.094 174.700 -0.093 0.000 1.040 454 T CA -0.254 61.794 62.100 -0.088 0.000 0.985 454 T CB 0.161 68.994 68.868 -0.059 0.000 1.011 454 T HN 0.099 nan 8.240 nan 0.000 0.509 455 K N 0.670 121.012 120.400 -0.096 0.000 3.472 455 K HA -0.200 4.120 4.320 -0.000 0.000 0.315 455 K C 0.158 176.698 176.600 -0.100 0.000 1.320 455 K CA 1.016 57.248 56.287 -0.092 0.000 0.962 455 K CB -1.693 30.747 32.500 -0.101 0.000 1.251 455 K HN 0.768 nan 8.250 nan 0.000 0.443 456 E N 1.872 121.996 120.200 -0.127 0.000 2.415 456 E HA 0.084 4.434 4.350 -0.000 0.000 0.262 456 E C 0.062 176.485 176.600 -0.295 0.000 1.038 456 E CA 0.709 56.944 56.400 -0.276 0.000 0.921 456 E CB 0.665 30.138 29.700 -0.379 0.000 0.950 456 E HN 0.249 nan 8.360 nan 0.000 0.438 457 T N 1.067 115.378 114.554 -0.405 0.000 2.916 457 T HA 0.545 4.895 4.350 -0.000 0.000 0.292 457 T C -0.808 173.694 174.700 -0.330 0.000 1.055 457 T CA -0.951 61.070 62.100 -0.132 0.000 1.009 457 T CB 0.849 69.788 68.868 0.119 0.000 1.118 457 T HN 0.497 nan 8.240 nan 0.000 0.497 458 W N 0.393 121.768 121.300 0.125 0.000 2.950 458 W HA 0.683 5.343 4.660 -0.000 0.000 0.340 458 W C -1.442 175.181 176.519 0.173 0.000 1.139 458 W CA -1.024 56.399 57.345 0.129 0.000 1.188 458 W CB 2.512 32.044 29.460 0.119 0.000 1.426 458 W HN 0.581 nan 8.180 nan 0.000 0.531 459 V N 1.069 121.216 119.914 0.388 0.000 2.808 459 V HA 0.321 4.441 4.120 -0.000 0.000 0.308 459 V C -1.522 174.761 176.094 0.315 0.000 1.099 459 V CA -0.684 61.804 62.300 0.314 0.000 0.920 459 V CB 2.601 34.552 31.823 0.214 0.000 1.014 459 V HN 0.576 nan 8.190 nan 0.000 0.425 460 W N 5.478 126.865 121.300 0.145 0.000 2.529 460 W HA 0.752 5.412 4.660 -0.000 0.000 0.321 460 W C -0.390 176.176 176.519 0.078 0.000 1.047 460 W CA -0.020 57.385 57.345 0.100 0.000 1.216 460 W CB 1.409 30.919 29.460 0.083 0.000 1.357 460 W HN 0.704 nan 8.180 nan 0.000 0.489 461 Q N 3.469 122.756 119.800 -0.854 0.000 2.522 461 Q HA 0.523 4.863 4.340 -0.000 0.000 0.285 461 Q C -1.725 173.626 176.000 -1.083 0.000 0.982 461 Q CA -1.078 54.226 55.803 -0.833 0.000 0.805 461 Q CB 2.682 31.261 28.738 -0.265 0.000 1.457 461 Q HN 0.560 nan 8.270 nan 0.000 0.394 462 E N 1.099 120.833 120.200 -0.777 0.000 2.308 462 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 462 E C -2.726 173.723 176.600 -0.252 0.000 0.890 462 E CA -2.136 53.994 56.400 -0.450 0.000 0.754 462 E CB 2.568 32.074 29.700 -0.324 0.000 1.207 462 E HN 0.448 nan 8.360 nan 0.000 0.426 463 P HA -0.065 nan 4.420 nan 0.000 0.263 463 P C -0.659 176.563 177.300 -0.131 0.000 1.175 463 P CA 0.590 63.615 63.100 -0.126 0.000 0.761 463 P CB 0.267 31.910 31.700 -0.096 0.000 0.794 464 D N -0.245 120.064 120.400 -0.151 0.000 2.945 464 D HA -0.128 4.512 4.640 -0.000 0.000 0.225 464 D C -0.699 175.358 176.300 -0.405 0.000 1.158 464 D CA 1.229 55.117 54.000 -0.187 0.000 0.805 464 D CB -1.667 39.129 40.800 -0.007 0.000 1.098 464 D HN 0.297 nan 8.370 nan 0.000 0.426 465 S N -0.141 115.186 115.700 -0.622 0.000 2.502 465 S HA 0.595 5.065 4.470 -0.000 0.000 0.304 465 S C -0.677 173.500 174.600 -0.705 0.000 1.097 465 S CA -0.665 57.270 58.200 -0.441 0.000 1.045 465 S CB 1.406 64.592 63.200 -0.022 0.000 1.019 465 S HN 0.108 nan 8.310 nan 0.000 0.481 466 Y N 2.807 123.091 120.300 -0.026 0.000 2.447 466 Y HA 0.411 4.961 4.550 -0.000 0.000 0.325 466 Y C -2.414 173.432 175.900 -0.090 0.000 0.976 466 Y CA -2.257 55.806 58.100 -0.061 0.000 1.280 466 Y CB 1.115 39.514 38.460 -0.100 0.000 1.104 466 Y HN 0.419 nan 8.280 nan 0.000 0.486 467 P HA 0.306 nan 4.420 nan 0.000 0.279 467 P C -0.320 176.921 177.300 -0.099 0.000 1.276 467 P CA -0.489 62.575 63.100 -0.059 0.000 0.801 467 P CB 1.722 33.428 31.700 0.010 0.000 1.127 468 S N -2.091 113.507 115.700 -0.170 0.000 2.739 468 S HA 0.287 4.757 4.470 -0.000 0.000 0.306 468 S C -0.060 174.423 174.600 -0.194 0.000 1.115 468 S CA -0.844 57.222 58.200 -0.223 0.000 0.985 468 S CB 0.599 63.653 63.200 -0.243 0.000 1.133 468 S HN 0.552 nan 8.310 nan 0.000 0.541 469 E N 1.961 122.006 120.200 -0.258 0.000 2.708 469 E HA 0.024 4.374 4.350 -0.000 0.000 0.260 469 E C -2.177 174.396 176.600 -0.044 0.000 0.937 469 E CA -0.954 55.380 56.400 -0.110 0.000 0.953 469 E CB 0.167 29.844 29.700 -0.039 0.000 0.915 469 E HN 0.383 nan 8.360 nan 0.000 0.487 470 P HA 0.227 nan 4.420 nan 0.000 0.292 470 P C -0.736 176.576 177.300 0.019 0.000 1.287 470 P CA -0.306 62.780 63.100 -0.023 0.000 0.800 470 P CB 0.766 32.471 31.700 0.009 0.000 0.945 471 I N 4.176 124.731 120.570 -0.025 0.000 2.404 471 I HA 0.310 4.480 4.170 -0.000 0.000 0.293 471 I C 0.143 176.219 176.117 -0.068 0.000 0.992 471 I CA -0.924 60.388 61.300 0.020 0.000 1.149 471 I CB 0.997 39.029 38.000 0.053 0.000 1.315 471 I HN 0.319 nan 8.210 nan 0.000 0.446 472 F N 7.205 127.058 119.950 -0.161 0.000 2.404 472 F HA 0.519 5.046 4.527 -0.000 0.000 0.345 472 F C -0.430 175.274 175.800 -0.161 0.000 1.110 472 F CA -0.310 57.536 58.000 -0.257 0.000 1.130 472 F CB 1.057 39.915 39.000 -0.236 0.000 1.129 472 F HN 0.109 nan 8.300 nan 0.000 0.500 473 V N 5.670 124.964 119.914 -1.032 0.000 2.443 473 V HA 0.268 4.388 4.120 -0.000 0.000 0.293 473 V C -0.154 175.330 176.094 -1.016 0.000 1.021 473 V CA -0.866 60.942 62.300 -0.821 0.000 0.848 473 V CB 1.201 32.552 31.823 -0.787 0.000 0.998 473 V HN 0.865 nan 8.190 nan 0.000 0.424 474 S N 3.469 118.745 115.700 -0.705 0.000 2.576 474 S HA 0.167 4.637 4.470 -0.000 0.000 0.276 474 S C 0.180 174.501 174.600 -0.465 0.000 1.339 474 S CA -0.385 57.576 58.200 -0.399 0.000 1.039 474 S CB 0.244 63.486 63.200 0.070 0.000 0.902 474 S HN 0.830 nan 8.310 nan 0.000 0.516 475 H N 5.320 123.938 119.070 -0.753 0.000 3.034 475 H HA 0.100 4.656 4.556 -0.000 0.000 0.324 475 H C -1.555 173.391 175.328 -0.637 0.000 1.015 475 H CA -1.015 54.262 56.048 -1.285 0.000 1.429 475 H CB 1.071 30.219 29.762 -1.023 0.000 1.429 475 H HN 0.500 nan 8.280 nan 0.000 0.585 476 P HA -0.134 nan 4.420 nan 0.000 0.218 476 P C 0.349 177.638 177.300 -0.019 0.000 1.148 476 P CA 1.230 64.207 63.100 -0.204 0.000 0.822 476 P CB 0.426 32.012 31.700 -0.191 0.000 0.784 477 D N -0.818 119.679 120.400 0.162 0.000 2.342 477 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 477 D C 0.702 176.994 176.300 -0.012 0.000 1.101 477 D CA -0.086 53.962 54.000 0.080 0.000 0.837 477 D CB 0.064 40.908 40.800 0.073 0.000 0.938 477 D HN 0.094 nan 8.370 nan 0.000 0.508 478 A N 0.553 123.369 122.820 -0.007 0.000 2.498 478 A HA 0.198 4.518 4.320 -0.000 0.000 0.239 478 A C 1.149 178.740 177.584 0.012 0.000 1.068 478 A CA 0.032 52.043 52.037 -0.042 0.000 0.766 478 A CB 0.400 19.406 19.000 0.010 0.000 1.003 478 A HN 0.231 nan 8.150 nan 0.000 0.497 479 L N 0.811 122.038 121.223 0.006 0.000 2.575 479 L HA 0.145 4.485 4.340 -0.000 0.000 0.228 479 L C 0.951 177.874 176.870 0.088 0.000 1.075 479 L CA 0.282 55.145 54.840 0.038 0.000 0.867 479 L CB -0.096 41.970 42.059 0.012 0.000 1.097 479 L HN 0.762 nan 8.230 nan 0.000 0.485 480 E N 0.215 120.460 120.200 0.076 0.000 2.312 480 E HA -0.008 4.342 4.350 -0.000 0.000 0.259 480 E C 0.438 177.124 176.600 0.143 0.000 1.122 480 E CA -0.189 56.271 56.400 0.099 0.000 0.922 480 E CB 1.218 30.945 29.700 0.046 0.000 1.109 480 E HN 0.062 nan 8.360 nan 0.000 0.442 481 E N 0.790 121.038 120.200 0.081 0.000 2.158 481 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 481 E C 0.219 176.756 176.600 -0.105 0.000 0.982 481 E CA 1.043 57.370 56.400 -0.121 0.000 0.823 481 E CB 0.292 29.717 29.700 -0.459 0.000 0.766 481 E HN 0.483 nan 8.360 nan 0.000 0.468 482 D N 0.200 120.567 120.400 -0.056 0.000 2.670 482 D HA 0.010 4.650 4.640 -0.000 0.000 0.255 482 D C -0.655 175.702 176.300 0.095 0.000 1.286 482 D CA -0.331 53.624 54.000 -0.075 0.000 0.830 482 D CB -0.030 40.482 40.800 -0.480 0.000 1.065 482 D HN -0.085 nan 8.370 nan 0.000 0.486 483 D N 0.422 120.922 120.400 0.166 0.000 2.479 483 D HA 0.512 5.152 4.640 -0.000 0.000 0.218 483 D C 0.306 176.662 176.300 0.093 0.000 1.131 483 D CA -0.113 53.937 54.000 0.083 0.000 0.916 483 D CB 0.304 41.106 40.800 0.003 0.000 1.022 483 D HN 0.333 nan 8.370 nan 0.000 0.515 484 G N 0.683 109.527 108.800 0.074 0.000 2.335 484 G HA2 0.424 4.384 3.960 -0.000 0.000 0.291 484 G HA3 0.424 4.384 3.960 -0.000 0.000 0.291 484 G C -1.138 173.736 174.900 -0.042 0.000 1.261 484 G CA -0.085 44.974 45.100 -0.069 0.000 0.871 484 G HN 0.648 nan 8.290 nan 0.000 0.491 485 V N -1.845 117.931 119.914 -0.230 0.000 3.046 485 V HA 0.927 5.047 4.120 -0.000 0.000 0.316 485 V C 0.183 176.029 176.094 -0.413 0.000 1.104 485 V CA -0.520 61.617 62.300 -0.271 0.000 1.006 485 V CB 1.261 32.890 31.823 -0.323 0.000 1.058 485 V HN 1.943 nan 8.190 nan 0.000 0.440 486 V N 0.933 120.646 119.914 -0.336 0.000 2.555 486 V HA 0.749 4.869 4.120 -0.000 0.000 0.302 486 V C -0.612 175.289 176.094 -0.322 0.000 1.038 486 V CA -0.696 61.400 62.300 -0.340 0.000 0.887 486 V CB 1.335 32.963 31.823 -0.326 0.000 0.991 486 V HN 0.895 nan 8.190 nan 0.000 0.434 487 L N 3.957 125.000 121.223 -0.299 0.000 2.317 487 L HA 0.824 5.164 4.340 -0.000 0.000 0.281 487 L C 0.169 176.906 176.870 -0.222 0.000 1.024 487 L CA -0.246 54.429 54.840 -0.274 0.000 0.810 487 L CB 1.755 43.661 42.059 -0.254 0.000 1.240 487 L HN 0.898 nan 8.230 nan 0.000 0.427 488 S N 1.623 117.160 115.700 -0.272 0.000 2.546 488 S HA 0.659 5.129 4.470 -0.000 0.000 0.274 488 S C -0.989 173.403 174.600 -0.347 0.000 1.121 488 S CA -0.523 57.516 58.200 -0.269 0.000 0.887 488 S CB 1.996 65.032 63.200 -0.274 0.000 1.094 488 S HN 0.250 nan 8.310 nan 0.000 0.474 489 V N 4.175 123.903 119.914 -0.311 0.000 2.383 489 V HA 0.523 4.643 4.120 -0.000 0.000 0.275 489 V C -0.374 175.492 176.094 -0.379 0.000 1.036 489 V CA -0.472 61.614 62.300 -0.357 0.000 0.889 489 V CB 1.178 32.868 31.823 -0.222 0.000 0.985 489 V HN 0.686 nan 8.190 nan 0.000 0.459 490 V N 5.639 125.222 119.914 -0.552 0.000 2.495 490 V HA 0.448 4.568 4.120 -0.000 0.000 0.298 490 V C -0.090 175.725 176.094 -0.465 0.000 1.031 490 V CA -0.703 61.239 62.300 -0.597 0.000 0.871 490 V CB 1.986 33.174 31.823 -1.058 0.000 0.988 490 V HN 0.581 nan 8.190 nan 0.000 0.432 491 V N 4.275 124.062 119.914 -0.210 0.000 2.407 491 V HA 0.512 4.632 4.120 -0.000 0.000 0.278 491 V C 0.440 176.556 176.094 0.037 0.000 1.037 491 V CA 0.013 62.270 62.300 -0.071 0.000 0.900 491 V CB 1.771 33.575 31.823 -0.033 0.000 0.983 491 V HN 1.057 nan 8.190 nan 0.000 0.459 492 S N 4.444 120.189 115.700 0.075 0.000 2.407 492 S HA 0.405 4.875 4.470 -0.000 0.000 0.166 492 S C -2.667 171.997 174.600 0.106 0.000 1.445 492 S CA -1.190 57.086 58.200 0.127 0.000 1.260 492 S CB 0.802 64.157 63.200 0.258 0.000 1.401 492 S HN 0.526 nan 8.310 nan 0.000 0.379 493 P HA 0.625 nan 4.420 nan 0.000 0.271 493 P C 0.478 177.809 177.300 0.050 0.000 1.218 493 P CA 0.498 63.632 63.100 0.056 0.000 0.780 493 P CB 0.826 32.545 31.700 0.031 0.000 0.901 494 G N 0.069 108.888 108.800 0.032 0.000 2.358 494 G HA2 0.437 4.397 3.960 -0.000 0.000 0.303 494 G HA3 0.437 4.397 3.960 -0.000 0.000 0.303 494 G C -1.384 173.525 174.900 0.016 0.000 1.537 494 G CA -0.273 44.842 45.100 0.024 0.000 0.928 494 G HN 0.452 nan 8.290 nan 0.000 0.656 495 A N -0.098 122.728 122.820 0.010 0.000 2.522 495 A HA 0.611 4.931 4.320 -0.000 0.000 0.256 495 A C 1.784 179.370 177.584 0.003 0.000 1.086 495 A CA 1.975 54.016 52.037 0.006 0.000 0.763 495 A CB -0.249 18.753 19.000 0.003 0.000 1.024 495 A HN 2.913 nan 8.150 nan 0.000 0.502 496 G N 1.621 110.422 108.800 0.001 0.000 2.299 496 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.237 496 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.237 496 G C 0.316 175.213 174.900 -0.004 0.000 1.027 496 G CA 0.451 45.549 45.100 -0.004 0.000 0.619 496 G HN 0.936 nan 8.290 nan 0.000 0.513 497 Q N 1.211 121.015 119.800 0.006 0.000 2.299 497 Q HA 0.432 4.772 4.340 -0.000 0.000 0.246 497 Q C 0.072 176.085 176.000 0.023 0.000 0.935 497 Q CA -0.445 55.365 55.803 0.013 0.000 0.887 497 Q CB 0.841 29.597 28.738 0.030 0.000 1.223 497 Q HN 0.186 nan 8.270 nan 0.000 0.439 498 K N 2.777 123.191 120.400 0.025 0.000 2.489 498 K HA 0.006 4.326 4.320 -0.000 0.000 0.278 498 K C -1.666 174.985 176.600 0.086 0.000 1.000 498 K CA -1.055 55.260 56.287 0.048 0.000 1.012 498 K CB 0.314 32.846 32.500 0.053 0.000 0.903 498 K HN 0.427 nan 8.250 nan 0.000 0.485 499 P HA -0.062 nan 4.420 nan 0.000 0.223 499 P C -0.319 177.025 177.300 0.073 0.000 1.151 499 P CA 0.878 64.017 63.100 0.065 0.000 0.787 499 P CB 0.481 32.206 31.700 0.042 0.000 0.788 500 A N -0.994 121.886 122.820 0.099 0.000 2.601 500 A HA 0.686 5.006 4.320 -0.000 0.000 0.291 500 A C -1.871 175.806 177.584 0.155 0.000 1.075 500 A CA -0.648 51.414 52.037 0.043 0.000 0.671 500 A CB 0.806 19.772 19.000 -0.056 0.000 1.277 500 A HN 0.110 nan 8.150 nan 0.000 0.417 501 Y N -1.769 118.481 120.300 -0.083 0.000 2.604 501 Y HA 0.663 5.213 4.550 -0.000 0.000 0.331 501 Y C -1.462 174.281 175.900 -0.262 0.000 1.158 501 Y CA -1.118 56.908 58.100 -0.123 0.000 1.056 501 Y CB 0.937 39.347 38.460 -0.083 0.000 1.330 501 Y HN 0.839 nan 8.280 nan 0.000 0.457 502 L N 3.874 124.930 121.223 -0.279 0.000 2.281 502 L HA 0.608 4.948 4.340 -0.000 0.000 0.285 502 L C -1.074 175.670 176.870 -0.211 0.000 1.074 502 L CA -0.799 53.703 54.840 -0.564 0.000 0.817 502 L CB 0.828 42.221 42.059 -1.109 0.000 1.168 502 L HN 0.773 nan 8.230 nan 0.000 0.434 503 L N 6.721 127.786 121.223 -0.263 0.000 2.309 503 L HA 0.579 4.919 4.340 -0.000 0.000 0.282 503 L C -0.812 175.888 176.870 -0.283 0.000 1.036 503 L CA 0.015 54.729 54.840 -0.208 0.000 0.806 503 L CB 1.236 43.061 42.059 -0.390 0.000 1.220 503 L HN 0.509 nan 8.230 nan 0.000 0.429 504 I N 6.505 126.926 120.570 -0.248 0.000 2.410 504 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 504 I C -0.825 175.135 176.117 -0.261 0.000 1.009 504 I CA -0.483 60.656 61.300 -0.269 0.000 1.111 504 I CB 1.390 39.243 38.000 -0.245 0.000 1.262 504 I HN 0.495 nan 8.210 nan 0.000 0.443 505 L N 5.027 126.086 121.223 -0.273 0.000 2.330 505 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 505 L C 0.192 176.969 176.870 -0.154 0.000 1.013 505 L CA -0.928 53.787 54.840 -0.209 0.000 0.816 505 L CB 1.685 43.608 42.059 -0.227 0.000 1.287 505 L HN 0.519 nan 8.230 nan 0.000 0.435 506 N N 1.080 119.727 118.700 -0.090 0.000 2.475 506 N HA 0.105 4.845 4.740 -0.000 0.000 0.267 506 N C 0.559 176.030 175.510 -0.064 0.000 1.169 506 N CA 0.291 53.305 53.050 -0.060 0.000 0.947 506 N CB 1.883 40.351 38.487 -0.030 0.000 1.061 506 N HN 0.770 nan 8.380 nan 0.000 0.466 507 A N 5.267 128.059 122.820 -0.047 0.000 2.015 507 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 507 A C 2.005 179.529 177.584 -0.100 0.000 1.163 507 A CA 0.952 52.990 52.037 0.001 0.000 0.646 507 A CB -0.182 18.930 19.000 0.186 0.000 0.806 507 A HN 0.701 nan 8.150 nan 0.000 0.448 508 K N 0.294 120.597 120.400 -0.161 0.000 2.063 508 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 508 K C 0.554 176.853 176.600 -0.503 0.000 1.048 508 K CA 1.794 57.894 56.287 -0.312 0.000 0.928 508 K CB -0.196 32.199 32.500 -0.175 0.000 0.713 508 K HN 0.798 nan 8.250 nan 0.000 0.442 509 D N -1.699 118.508 120.400 -0.320 0.000 2.530 509 D HA 0.037 4.677 4.640 -0.000 0.000 0.253 509 D C 0.496 176.775 176.300 -0.034 0.000 1.338 509 D CA -0.228 53.593 54.000 -0.299 0.000 0.806 509 D CB -0.388 40.401 40.800 -0.019 0.000 1.160 509 D HN 0.075 nan 8.370 nan 0.000 0.514 510 L N 0.743 121.956 121.223 -0.016 0.000 4.179 510 L HA -0.220 4.120 4.340 -0.000 0.000 0.418 510 L C 0.087 177.061 176.870 0.173 0.000 1.168 510 L CA 0.749 55.655 54.840 0.111 0.000 0.972 510 L CB -2.430 39.776 42.059 0.245 0.000 2.005 510 L HN 0.334 nan 8.230 nan 0.000 0.935 511 S N -0.739 115.030 115.700 0.114 0.000 2.580 511 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 511 S C 0.118 174.762 174.600 0.073 0.000 1.329 511 S CA -0.601 57.679 58.200 0.133 0.000 1.036 511 S CB 2.079 65.333 63.200 0.089 0.000 0.919 511 S HN 0.312 nan 8.310 nan 0.000 0.515 512 E N 1.287 121.554 120.200 0.112 0.000 2.344 512 E HA 0.246 4.596 4.350 -0.000 0.000 0.270 512 E C 0.024 176.616 176.600 -0.013 0.000 1.021 512 E CA -0.515 55.904 56.400 0.032 0.000 0.887 512 E CB 0.687 30.467 29.700 0.132 0.000 0.997 512 E HN 0.541 nan 8.360 nan 0.000 0.429 513 V N 3.439 123.310 119.914 -0.071 0.000 3.048 513 V HA 0.377 4.497 4.120 -0.000 0.000 0.241 513 V C 0.288 176.325 176.094 -0.094 0.000 1.129 513 V CA 0.970 63.222 62.300 -0.081 0.000 1.128 513 V CB 0.410 32.165 31.823 -0.114 0.000 0.849 513 V HN 0.777 nan 8.190 nan 0.000 0.475 514 A N 0.553 123.306 122.820 -0.112 0.000 2.586 514 A HA 0.822 5.142 4.320 -0.000 0.000 0.291 514 A C -1.160 176.359 177.584 -0.108 0.000 1.062 514 A CA -0.777 51.193 52.037 -0.112 0.000 0.666 514 A CB 1.333 20.258 19.000 -0.126 0.000 1.281 514 A HN 0.356 nan 8.150 nan 0.000 0.421 515 R N -0.108 120.329 120.500 -0.105 0.000 2.740 515 R HA 0.846 5.186 4.340 -0.000 0.000 0.273 515 R C -0.827 175.427 176.300 -0.075 0.000 0.998 515 R CA -0.355 55.701 56.100 -0.072 0.000 0.900 515 R CB 2.137 32.373 30.300 -0.107 0.000 1.223 515 R HN 1.667 nan 8.270 nan 0.000 0.466 516 A N 2.343 125.145 122.820 -0.030 0.000 2.360 516 A HA 0.367 4.687 4.320 -0.000 0.000 0.309 516 A C -0.748 176.877 177.584 0.068 0.000 1.311 516 A CA -0.777 51.249 52.037 -0.019 0.000 0.805 516 A CB 0.640 19.614 19.000 -0.042 0.000 1.144 516 A HN 0.789 nan 8.150 nan 0.000 0.486 517 E N 0.892 121.153 120.200 0.102 0.000 2.313 517 E HA 0.505 4.855 4.350 -0.000 0.000 0.272 517 E C -0.043 176.643 176.600 0.143 0.000 1.038 517 E CA -0.680 55.810 56.400 0.149 0.000 0.863 517 E CB 2.017 31.796 29.700 0.131 0.000 1.060 517 E HN 0.619 nan 8.360 nan 0.000 0.402 518 V N -0.990 118.996 119.914 0.120 0.000 3.074 518 V HA 0.345 4.465 4.120 -0.000 0.000 0.314 518 V C 0.207 176.346 176.094 0.074 0.000 1.117 518 V CA -0.791 61.565 62.300 0.094 0.000 1.014 518 V CB 2.018 33.875 31.823 0.056 0.000 1.057 518 V HN 0.666 nan 8.190 nan 0.000 0.438 519 E N 1.517 121.759 120.200 0.070 0.000 2.474 519 E HA 0.304 4.654 4.350 -0.000 0.000 0.195 519 E C 0.243 176.876 176.600 0.054 0.000 1.039 519 E CA 0.353 56.785 56.400 0.052 0.000 0.881 519 E CB 0.604 30.330 29.700 0.043 0.000 0.970 519 E HN 0.826 nan 8.360 nan 0.000 0.486 520 I N -2.273 118.337 120.570 0.065 0.000 3.002 520 I HA 0.459 4.629 4.170 -0.000 0.000 0.310 520 I C -0.172 175.978 176.117 0.056 0.000 1.087 520 I CA -1.395 59.947 61.300 0.071 0.000 1.017 520 I CB 1.640 39.703 38.000 0.106 0.000 1.226 520 I HN -0.352 nan 8.210 nan 0.000 0.443 521 N N 2.443 121.176 118.700 0.056 0.000 2.503 521 N HA 0.496 5.236 4.740 -0.000 0.000 0.267 521 N C -1.204 174.337 175.510 0.052 0.000 1.214 521 N CA -0.043 53.029 53.050 0.036 0.000 0.959 521 N CB 0.736 39.242 38.487 0.032 0.000 1.142 521 N HN 0.625 nan 8.380 nan 0.000 0.455 522 I N 2.518 123.095 120.570 0.011 0.000 2.499 522 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 522 I C -2.218 173.887 176.117 -0.020 0.000 1.048 522 I CA -2.068 59.252 61.300 0.034 0.000 1.062 522 I CB 2.266 40.235 38.000 -0.051 0.000 1.238 522 I HN 0.471 nan 8.210 nan 0.000 0.426 523 P HA 0.108 nan 4.420 nan 0.000 0.279 523 P C -0.237 176.978 177.300 -0.141 0.000 1.282 523 P CA -0.440 62.655 63.100 -0.009 0.000 0.788 523 P CB 0.685 32.516 31.700 0.218 0.000 1.139 524 V N 0.605 120.403 119.914 -0.195 0.000 2.752 524 V HA 0.105 4.225 4.120 -0.000 0.000 0.306 524 V C -0.069 175.760 176.094 -0.441 0.000 1.099 524 V CA 1.174 63.291 62.300 -0.305 0.000 1.240 524 V CB -0.463 31.224 31.823 -0.227 0.000 0.887 524 V HN 0.835 nan 8.190 nan 0.000 0.499 525 T N 4.362 118.613 114.554 -0.506 0.000 2.876 525 T HA 0.597 4.947 4.350 -0.000 0.000 0.289 525 T C 0.241 174.629 174.700 -0.521 0.000 1.014 525 T CA -0.566 61.211 62.100 -0.538 0.000 0.986 525 T CB 1.514 70.143 68.868 -0.397 0.000 1.021 525 T HN 0.358 nan 8.240 nan 0.000 0.458 526 F N 0.452 120.346 119.950 -0.094 0.000 2.208 526 F HA 0.350 4.877 4.527 -0.000 0.000 0.282 526 F C 1.528 177.109 175.800 -0.365 0.000 1.071 526 F CA 0.343 58.215 58.000 -0.213 0.000 1.228 526 F CB -0.193 38.825 39.000 0.030 0.000 1.088 526 F HN 0.571 nan 8.300 nan 0.000 0.512 527 H N -1.622 117.670 119.070 0.371 0.000 2.949 527 H HA 0.692 5.248 4.556 -0.000 0.000 0.356 527 H C 0.135 175.579 175.328 0.193 0.000 1.212 527 H CA -0.389 55.835 56.048 0.293 0.000 1.136 527 H CB 1.480 31.445 29.762 0.339 0.000 1.869 527 H HN 0.270 nan 8.280 nan 0.000 0.556 528 G N -0.172 108.820 108.800 0.320 0.000 2.435 528 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 528 G HA3 0.430 4.390 3.960 -0.000 0.000 0.296 528 G C -1.943 173.087 174.900 0.217 0.000 1.240 528 G CA -0.220 45.020 45.100 0.233 0.000 0.872 528 G HN 0.594 nan 8.290 nan 0.000 0.480 529 L N -3.132 118.213 121.223 0.203 0.000 2.720 529 L HA 0.908 5.248 4.340 -0.000 0.000 0.261 529 L C -1.597 175.419 176.870 0.243 0.000 1.046 529 L CA -1.142 53.829 54.840 0.218 0.000 0.886 529 L CB 1.687 43.877 42.059 0.218 0.000 1.493 529 L HN 0.720 nan 8.230 nan 0.000 0.407 530 F N 1.264 121.276 119.950 0.102 0.000 2.403 530 F HA 0.575 5.102 4.527 -0.000 0.000 0.355 530 F C 0.036 175.894 175.800 0.096 0.000 1.119 530 F CA -0.454 57.594 58.000 0.079 0.000 1.007 530 F CB 1.136 40.150 39.000 0.023 0.000 1.194 530 F HN 0.716 nan 8.300 nan 0.000 0.443 531 K N 6.604 126.774 120.400 -0.384 0.000 2.267 531 K HA 0.259 4.579 4.320 -0.000 0.000 0.282 531 K C -0.450 175.878 176.600 -0.453 0.000 1.078 531 K CA -0.507 55.628 56.287 -0.253 0.000 0.903 531 K CB 0.501 32.852 32.500 -0.248 0.000 1.111 531 K HN 0.611 nan 8.250 nan 0.000 0.475 532 K N 1.929 122.252 120.400 -0.129 0.000 2.401 532 K HA 0.044 4.364 4.320 -0.000 0.000 0.278 532 K C -0.079 176.511 176.600 -0.017 0.000 1.018 532 K CA -0.052 56.235 56.287 0.001 0.000 0.981 532 K CB 1.369 33.966 32.500 0.161 0.000 0.933 532 K HN 0.415 nan 8.250 nan 0.000 0.477 533 S N 0.000 115.699 115.700 -0.001 0.000 2.498 533 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 533 S CA 0.000 58.203 58.200 0.005 0.000 1.107 533 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 533 S HN 0.000 nan 8.310 nan 0.000 0.517