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 2axn_1_A DATA FIRST_RESID 2 DATA SEQUENCE LELTQSRVQK IWVPVDHRPS LPRSCGPXXX NSPTVIVMVG LPARGKTYIS DATA SEQUENCE KKLTRYLNWI GVPTKVFNVG EYRREAVKQY SSYNFFRPDN EEAMKVRKQC DATA SEQUENCE ALAALRDVKS YLAKEGGQIA VFDATNTTRE RRHMILHFAK ENDFKAFFIE DATA SEQUENCE SVCDDPTVVA SNIMEVKISS PDYKDCNSAE AMDDFMKRIS CYEASYQPLD DATA SEQUENCE PDKCDRDLSL IKVIDVGRRF LVNRVQDHIQ SRIVYYLMNI HVQPRTIYLC DATA SEQUENCE RHGENEHNLQ GRIGGDSGLS SRGKKFASAL SKFVEEQNLK DLRVWTSQLK DATA SEQUENCE STIQTAEALR LPYEQWKALN EIDAGVCEEL TYEEIRDTYP EEYALREQDK DATA SEQUENCE YYYRYPTGES YQDLVQRLEP VIMELERQEN VLVICHQAVL RCLLAYFLDK DATA SEQUENCE SAEEMPYLKC PLHTVLKLTP VAYGCRVESI YLNVESVCTH RERSXXXXXX DATA SEQUENCE XNPLMRRNSX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.843 176.870 -0.045 0.000 1.165 2 L CA 0.000 54.810 54.840 -0.051 0.000 0.813 2 L CB 0.000 42.040 42.059 -0.031 0.000 0.961 3 E N 2.679 122.868 120.200 -0.018 0.000 2.003 3 E HA 0.474 4.824 4.350 0.001 0.000 0.279 3 E C -1.284 175.326 176.600 0.016 0.000 1.132 3 E CA -0.085 56.314 56.400 -0.001 0.000 0.888 3 E CB 0.252 29.960 29.700 0.013 0.000 1.056 3 E HN 0.210 nan 8.360 nan 0.000 0.399 4 L N 2.742 123.995 121.223 0.050 0.000 2.303 4 L HA 0.569 4.910 4.340 0.001 0.000 0.266 4 L C 0.207 177.255 176.870 0.296 0.000 1.011 4 L CA -0.966 53.965 54.840 0.151 0.000 0.818 4 L CB 2.184 44.354 42.059 0.186 0.000 1.326 4 L HN 0.338 nan 8.230 nan 0.000 0.435 5 T N 0.095 114.825 114.554 0.293 0.000 2.893 5 T HA 0.247 4.598 4.350 0.001 0.000 0.291 5 T C -1.071 173.630 174.700 0.001 0.000 1.028 5 T CA -0.469 61.755 62.100 0.207 0.000 0.995 5 T CB 1.709 70.608 68.868 0.052 0.000 1.051 5 T HN 0.608 nan 8.240 nan 0.000 0.470 6 Q N 2.931 122.457 119.800 -0.455 0.000 2.322 6 Q HA 0.453 4.794 4.340 0.001 0.000 0.256 6 Q C 0.128 175.864 176.000 -0.441 0.000 0.960 6 Q CA -0.693 54.582 55.803 -0.881 0.000 0.934 6 Q CB 0.641 28.413 28.738 -1.610 0.000 1.200 6 Q HN 0.816 nan 8.270 nan 0.000 0.435 7 S N 3.894 119.401 115.700 -0.322 0.000 2.558 7 S HA 0.018 4.489 4.470 0.001 0.000 0.293 7 S C 0.838 175.317 174.600 -0.202 0.000 1.292 7 S CA -0.177 57.902 58.200 -0.202 0.000 1.063 7 S CB 0.998 64.103 63.200 -0.157 0.000 0.831 7 S HN 0.827 nan 8.310 nan 0.000 0.499 8 R N 2.036 122.460 120.500 -0.127 0.000 2.081 8 R HA -0.057 4.284 4.340 0.001 0.000 0.235 8 R C 1.931 178.188 176.300 -0.072 0.000 1.131 8 R CA 1.513 57.562 56.100 -0.086 0.000 0.960 8 R CB -0.753 29.532 30.300 -0.026 0.000 0.856 8 R HN 0.645 nan 8.270 nan 0.000 0.436 9 V N 0.862 120.743 119.914 -0.055 0.000 2.249 9 V HA -0.175 3.946 4.120 0.001 0.000 0.239 9 V C 2.099 178.088 176.094 -0.175 0.000 1.038 9 V CA 1.530 63.816 62.300 -0.024 0.000 1.005 9 V CB -0.475 31.372 31.823 0.040 0.000 0.646 9 V HN 0.292 nan 8.190 nan 0.000 0.455 10 Q N -0.175 119.541 119.800 -0.141 0.000 2.435 10 Q HA -0.018 4.322 4.340 0.001 0.000 0.207 10 Q C 0.049 175.916 176.000 -0.221 0.000 0.956 10 Q CA 0.140 55.846 55.803 -0.162 0.000 0.917 10 Q CB 0.158 28.840 28.738 -0.093 0.000 0.997 10 Q HN 0.414 nan 8.270 nan 0.000 0.497 11 K N 0.196 120.440 120.400 -0.260 0.000 3.117 11 K HA -0.169 4.152 4.320 0.001 0.000 0.269 11 K C -0.710 175.680 176.600 -0.349 0.000 1.098 11 K CA 0.592 56.681 56.287 -0.329 0.000 0.785 11 K CB -1.777 30.545 32.500 -0.297 0.000 1.242 11 K HN 0.220 nan 8.250 nan 0.000 0.491 12 I N 0.341 120.739 120.570 -0.287 0.000 2.359 12 I HA 0.212 4.383 4.170 0.001 0.000 0.294 12 I C 0.813 176.793 176.117 -0.228 0.000 0.987 12 I CA -0.705 60.478 61.300 -0.194 0.000 1.225 12 I CB 0.544 38.486 38.000 -0.096 0.000 1.366 12 I HN 0.057 nan 8.210 nan 0.000 0.466 13 W N 6.681 127.958 121.300 -0.039 0.000 2.304 13 W HA 0.461 5.122 4.660 0.001 0.000 0.313 13 W C 0.216 176.712 176.519 -0.038 0.000 1.323 13 W CA -0.335 56.989 57.345 -0.036 0.000 1.223 13 W CB 0.871 30.312 29.460 -0.031 0.000 1.237 13 W HN 0.322 nan 8.180 nan 0.000 0.535 14 V N 2.164 122.184 119.914 0.177 0.000 2.962 14 V HA 0.652 4.773 4.120 0.001 0.000 0.313 14 V C -2.447 173.694 176.094 0.078 0.000 1.099 14 V CA -3.439 58.912 62.300 0.085 0.000 0.971 14 V CB 1.881 33.713 31.823 0.015 0.000 1.028 14 V HN 0.322 nan 8.190 nan 0.000 0.430 15 P HA 0.157 nan 4.420 nan 0.000 0.271 15 P C 0.129 177.411 177.300 -0.029 0.000 1.220 15 P CA 0.245 63.350 63.100 0.010 0.000 0.768 15 P CB 1.235 32.933 31.700 -0.003 0.000 0.848 16 V N 1.065 120.941 119.914 -0.064 0.000 2.599 16 V HA 0.149 4.270 4.120 0.001 0.000 0.300 16 V C 0.350 176.319 176.094 -0.209 0.000 1.034 16 V CA -0.067 62.132 62.300 -0.169 0.000 1.115 16 V CB 0.018 31.666 31.823 -0.292 0.000 0.934 16 V HN 0.670 nan 8.190 nan 0.000 0.485 17 D N 3.634 123.926 120.400 -0.180 0.000 2.446 17 D HA 0.153 4.794 4.640 0.001 0.000 0.251 17 D C -0.315 175.932 176.300 -0.087 0.000 1.137 17 D CA -0.534 53.399 54.000 -0.112 0.000 0.890 17 D CB 0.488 41.261 40.800 -0.045 0.000 1.071 17 D HN 0.719 nan 8.370 nan 0.000 0.528 18 H N 2.574 121.650 119.070 0.011 0.000 3.017 18 H HA 0.180 4.737 4.556 0.001 0.000 0.276 18 H C 0.566 175.898 175.328 0.006 0.000 1.062 18 H CA 0.084 56.137 56.048 0.009 0.000 1.486 18 H CB 0.602 30.369 29.762 0.009 0.000 1.507 18 H HN 0.246 nan 8.280 nan 0.000 0.508 19 R N 4.167 124.735 120.500 0.113 0.000 2.594 19 R HA 0.122 4.463 4.340 0.001 0.000 0.272 19 R C -1.578 174.758 176.300 0.059 0.000 1.074 19 R CA -1.176 54.962 56.100 0.063 0.000 1.105 19 R CB 0.315 30.639 30.300 0.040 0.000 1.008 19 R HN 0.518 nan 8.270 nan 0.000 0.472 20 P HA 0.018 nan 4.420 nan 0.000 0.277 20 P C 0.186 177.498 177.300 0.020 0.000 1.271 20 P CA -0.356 62.761 63.100 0.029 0.000 0.795 20 P CB 0.815 32.529 31.700 0.023 0.000 1.101 21 S N 0.403 116.111 115.700 0.013 0.000 2.390 21 S HA -0.198 4.273 4.470 0.001 0.000 0.234 21 S C 1.011 175.617 174.600 0.009 0.000 1.063 21 S CA 1.326 59.531 58.200 0.009 0.000 1.108 21 S CB -1.012 62.192 63.200 0.006 0.000 0.975 21 S HN 0.344 nan 8.310 nan 0.000 0.442 22 L N 3.677 124.906 121.223 0.009 0.000 2.321 22 L HA 0.515 4.856 4.340 0.001 0.000 0.272 22 L C -2.268 174.607 176.870 0.009 0.000 1.050 22 L CA -2.760 52.085 54.840 0.007 0.000 0.893 22 L CB 0.362 42.425 42.059 0.006 0.000 1.272 22 L HN 0.206 nan 8.230 nan 0.000 0.435 23 P HA 0.185 nan 4.420 nan 0.000 0.268 23 P C -0.276 177.027 177.300 0.006 0.000 1.205 23 P CA -0.218 62.888 63.100 0.010 0.000 0.771 23 P CB 1.157 32.863 31.700 0.010 0.000 0.858 24 R N 1.012 121.515 120.500 0.004 0.000 2.720 24 R HA 0.460 4.801 4.340 0.001 0.000 0.272 24 R C 1.035 177.335 176.300 -0.001 0.000 0.991 24 R CA -0.616 55.485 56.100 0.002 0.000 1.010 24 R CB 1.598 31.898 30.300 0.002 0.000 1.141 24 R HN 0.435 nan 8.270 nan 0.000 0.494 25 S N -0.411 115.288 115.700 -0.002 0.000 2.783 25 S HA 0.266 4.737 4.470 0.001 0.000 0.205 25 S C -0.377 174.219 174.600 -0.006 0.000 0.910 25 S CA 0.324 58.521 58.200 -0.005 0.000 0.861 25 S CB 0.109 63.306 63.200 -0.006 0.000 0.830 25 S HN 0.768 nan 8.310 nan 0.000 0.630 26 C N -1.309 117.988 119.300 -0.006 0.000 0.168 26 C HA 0.347 4.807 4.460 0.001 0.000 0.017 26 C C 0.039 175.024 174.990 -0.007 0.000 0.171 26 C CA -1.024 57.990 59.018 -0.006 0.000 0.499 26 C CB -1.092 26.644 27.740 -0.007 0.000 3.212 26 C HN 0.864 nan 8.230 nan 0.000 1.118 27 G N 2.094 110.889 108.800 -0.008 0.000 2.417 27 G HA2 0.697 4.658 3.960 0.001 0.000 0.282 27 G HA3 0.697 4.658 3.960 0.001 0.000 0.282 27 G C -1.215 173.680 174.900 -0.010 0.000 1.388 27 G CA 0.100 45.195 45.100 -0.008 0.000 1.276 27 G HN 1.061 nan 8.290 nan 0.000 0.602 33 S N 2.997 118.714 115.700 0.027 0.000 3.129 33 S HA -0.030 4.441 4.470 0.001 0.000 0.371 33 S C -1.612 172.998 174.600 0.017 0.000 1.196 33 S CA 0.034 58.260 58.200 0.043 0.000 0.989 33 S CB 0.098 63.332 63.200 0.058 0.000 0.695 33 S HN 0.431 nan 8.310 nan 0.000 0.499 34 P HA 0.174 nan 4.420 nan 0.000 0.272 34 P C -0.582 176.653 177.300 -0.108 0.000 1.230 34 P CA -0.298 62.730 63.100 -0.120 0.000 0.788 34 P CB 0.532 32.063 31.700 -0.281 0.000 0.949 35 T N 0.432 114.917 114.554 -0.114 0.000 2.876 35 T HA 0.341 4.692 4.350 0.001 0.000 0.289 35 T C -0.419 174.260 174.700 -0.035 0.000 1.014 35 T CA -0.475 61.601 62.100 -0.040 0.000 0.986 35 T CB 1.256 70.125 68.868 0.001 0.000 1.021 35 T HN 0.077 nan 8.240 nan 0.000 0.458 36 V N 4.142 124.064 119.914 0.014 0.000 2.333 36 V HA 0.404 4.525 4.120 0.001 0.000 0.274 36 V C 0.037 176.156 176.094 0.042 0.000 1.028 36 V CA -0.704 61.617 62.300 0.034 0.000 0.851 36 V CB 0.748 32.611 31.823 0.066 0.000 1.000 36 V HN 0.771 nan 8.190 nan 0.000 0.456 37 I N 5.531 126.162 120.570 0.101 0.000 2.352 37 I HA 0.251 4.422 4.170 0.001 0.000 0.290 37 I C -0.219 175.941 176.117 0.072 0.000 1.036 37 I CA -0.348 61.028 61.300 0.126 0.000 1.336 37 I CB 1.496 39.621 38.000 0.208 0.000 1.407 37 I HN 0.294 nan 8.210 nan 0.000 0.497 38 V N 7.349 127.199 119.914 -0.107 0.000 2.318 38 V HA 0.263 4.384 4.120 0.001 0.000 0.271 38 V C 0.521 176.659 176.094 0.074 0.000 1.030 38 V CA -0.677 61.585 62.300 -0.063 0.000 0.844 38 V CB 0.834 32.361 31.823 -0.493 0.000 1.015 38 V HN 0.604 nan 8.190 nan 0.000 0.460 39 M N 4.903 124.585 119.600 0.136 0.000 2.243 39 M HA 0.447 4.928 4.480 0.001 0.000 0.341 39 M C -0.363 176.027 176.300 0.150 0.000 1.130 39 M CA 0.108 55.482 55.300 0.123 0.000 1.162 39 M CB 1.045 33.690 32.600 0.075 0.000 1.497 39 M HN 0.364 nan 8.290 nan 0.000 0.456 40 V N 0.764 120.767 119.914 0.147 0.000 2.888 40 V HA 0.961 5.082 4.120 0.001 0.000 0.309 40 V C 0.111 176.254 176.094 0.082 0.000 1.114 40 V CA -0.524 61.867 62.300 0.152 0.000 0.940 40 V CB 1.975 33.936 31.823 0.229 0.000 1.021 40 V HN 1.105 nan 8.190 nan 0.000 0.426 41 G N 2.655 111.447 108.800 -0.012 0.000 2.321 41 G HA2 0.202 4.163 3.960 0.001 0.000 0.339 41 G HA3 0.202 4.163 3.960 0.001 0.000 0.339 41 G C -1.334 173.359 174.900 -0.346 0.000 1.518 41 G CA -1.086 43.923 45.100 -0.152 0.000 0.994 41 G HN 0.689 nan 8.290 nan 0.000 0.668 42 L N 1.490 122.417 121.223 -0.492 0.000 2.479 42 L HA 0.267 4.608 4.340 0.001 0.000 0.270 42 L C -1.390 175.264 176.870 -0.359 0.000 1.236 42 L CA -1.257 53.276 54.840 -0.510 0.000 0.823 42 L CB 0.339 42.166 42.059 -0.386 0.000 1.098 42 L HN 0.350 nan 8.230 nan 0.000 0.500 43 P HA 0.053 nan 4.420 nan 0.000 0.272 43 P C -0.163 177.165 177.300 0.047 0.000 1.230 43 P CA 0.071 63.063 63.100 -0.179 0.000 0.788 43 P CB 0.767 32.308 31.700 -0.266 0.000 0.949 44 A N 0.887 123.772 122.820 0.107 0.000 2.930 44 A HA -0.220 4.101 4.320 0.001 0.000 0.273 44 A C 0.953 178.521 177.584 -0.026 0.000 1.435 44 A CA 0.882 52.929 52.037 0.016 0.000 0.780 44 A CB -2.505 16.516 19.000 0.034 0.000 1.034 44 A HN 0.493 nan 8.150 nan 0.000 0.562 45 R N -0.970 119.515 120.500 -0.025 0.000 2.509 45 R HA 0.434 4.775 4.340 0.001 0.000 0.300 45 R C 1.614 177.909 176.300 -0.009 0.000 0.985 45 R CA 1.424 57.505 56.100 -0.031 0.000 1.092 45 R CB 0.220 30.496 30.300 -0.039 0.000 1.237 45 R HN 1.816 nan 8.270 nan 0.000 0.546 46 G N 0.551 109.359 108.800 0.014 0.000 2.157 46 G HA2 -0.357 3.604 3.960 0.001 0.000 0.248 46 G HA3 -0.357 3.604 3.960 0.001 0.000 0.248 46 G C 0.873 175.866 174.900 0.155 0.000 0.979 46 G CA 0.578 45.722 45.100 0.072 0.000 0.650 46 G HN 0.367 nan 8.290 nan 0.000 0.529 47 K N -0.424 120.035 120.400 0.098 0.000 2.063 47 K HA -0.071 4.250 4.320 0.001 0.000 0.208 47 K C 2.523 179.174 176.600 0.085 0.000 1.048 47 K CA 1.841 58.180 56.287 0.086 0.000 0.928 47 K CB -0.273 32.245 32.500 0.031 0.000 0.713 47 K HN 0.385 nan 8.250 nan 0.000 0.442 48 T N 0.232 114.830 114.554 0.074 0.000 2.904 48 T HA -0.133 4.217 4.350 0.001 0.000 0.267 48 T C 1.522 176.199 174.700 -0.037 0.000 1.059 48 T CA 0.848 62.914 62.100 -0.056 0.000 1.137 48 T CB -0.289 68.473 68.868 -0.177 0.000 0.879 48 T HN 0.285 nan 8.240 nan 0.000 0.467 49 Y N 1.705 122.065 120.300 0.100 0.000 2.145 49 Y HA -0.078 4.473 4.550 0.002 0.000 0.286 49 Y C 1.989 177.949 175.900 0.101 0.000 1.145 49 Y CA 1.149 59.375 58.100 0.211 0.000 1.148 49 Y CB -0.373 38.227 38.460 0.233 0.000 0.981 49 Y HN 0.120 nan 8.280 nan 0.000 0.507 50 I N -0.597 120.163 120.570 0.317 0.000 2.226 50 I HA -0.335 3.836 4.170 0.001 0.000 0.245 50 I C 2.443 178.625 176.117 0.109 0.000 1.100 50 I CA 1.495 62.928 61.300 0.221 0.000 1.374 50 I CB -0.562 37.582 38.000 0.239 0.000 1.057 50 I HN 0.169 nan 8.210 nan 0.000 0.413 51 S N 0.725 116.465 115.700 0.066 0.000 2.359 51 S HA -0.211 4.260 4.470 0.001 0.000 0.224 51 S C 1.973 176.554 174.600 -0.031 0.000 1.035 51 S CA 1.460 59.674 58.200 0.024 0.000 1.018 51 S CB -0.221 62.969 63.200 -0.016 0.000 0.876 51 S HN 0.388 nan 8.310 nan 0.000 0.448 52 K N 0.993 121.329 120.400 -0.107 0.000 2.057 52 K HA -0.050 4.271 4.320 0.001 0.000 0.206 52 K C 2.291 178.818 176.600 -0.122 0.000 1.050 52 K CA 1.111 57.310 56.287 -0.147 0.000 0.935 52 K CB -0.128 32.239 32.500 -0.221 0.000 0.715 52 K HN 0.205 nan 8.250 nan 0.000 0.439 53 K N 1.128 121.441 120.400 -0.145 0.000 2.025 53 K HA -0.143 4.178 4.320 0.001 0.000 0.207 53 K C 2.130 178.771 176.600 0.069 0.000 1.049 53 K CA 0.917 57.147 56.287 -0.095 0.000 0.933 53 K CB -0.138 32.253 32.500 -0.182 0.000 0.714 53 K HN -0.022 nan 8.250 nan 0.000 0.438 54 L N 1.193 122.498 121.223 0.136 0.000 2.079 54 L HA -0.160 4.181 4.340 0.001 0.000 0.210 54 L C 1.925 178.830 176.870 0.058 0.000 1.081 54 L CA 2.024 56.940 54.840 0.127 0.000 0.752 54 L CB -0.775 41.395 42.059 0.186 0.000 0.896 54 L HN 0.228 nan 8.230 nan 0.000 0.433 55 T N -0.813 113.760 114.554 0.032 0.000 2.821 55 T HA -0.194 4.157 4.350 0.001 0.000 0.267 55 T C 1.985 176.683 174.700 -0.003 0.000 1.046 55 T CA 1.499 63.605 62.100 0.010 0.000 1.139 55 T CB -0.220 68.630 68.868 -0.030 0.000 0.871 55 T HN 0.346 nan 8.240 nan 0.000 0.454 56 R N -0.361 120.121 120.500 -0.030 0.000 2.081 56 R HA -0.120 4.221 4.340 0.001 0.000 0.235 56 R C 2.291 178.615 176.300 0.040 0.000 1.131 56 R CA 1.343 57.404 56.100 -0.064 0.000 0.960 56 R CB -0.430 29.755 30.300 -0.193 0.000 0.856 56 R HN 0.472 nan 8.270 nan 0.000 0.436 57 Y N 0.855 121.113 120.300 -0.071 0.000 2.163 57 Y HA -0.141 4.410 4.550 0.001 0.000 0.288 57 Y C 1.758 177.688 175.900 0.051 0.000 1.136 57 Y CA 1.666 59.770 58.100 0.007 0.000 1.147 57 Y CB -0.261 37.856 38.460 -0.572 0.000 0.987 57 Y HN 0.024 nan 8.280 nan 0.000 0.509 58 L N 0.144 121.312 121.223 -0.092 0.000 2.017 58 L HA -0.264 4.077 4.340 0.001 0.000 0.208 58 L C 2.055 178.874 176.870 -0.085 0.000 1.073 58 L CA 2.042 56.799 54.840 -0.138 0.000 0.745 58 L CB -0.751 41.304 42.059 -0.008 0.000 0.894 58 L HN 0.291 nan 8.230 nan 0.000 0.432 59 N N -1.140 117.556 118.700 -0.007 0.000 2.166 59 N HA -0.249 4.492 4.740 0.001 0.000 0.186 59 N C 1.599 177.126 175.510 0.029 0.000 1.019 59 N CA 1.295 54.352 53.050 0.012 0.000 0.856 59 N CB -0.207 38.294 38.487 0.024 0.000 0.993 59 N HN 0.325 nan 8.380 nan 0.000 0.426 60 W N 2.457 123.691 121.300 -0.110 0.000 2.358 60 W HA -0.042 4.619 4.660 0.002 0.000 0.303 60 W C 1.617 178.067 176.519 -0.115 0.000 1.208 60 W CA 1.021 58.325 57.345 -0.069 0.000 1.274 60 W CB -0.201 29.290 29.460 0.052 0.000 1.138 60 W HN 0.058 nan 8.180 nan 0.000 0.515 61 I N -0.987 119.470 120.570 -0.188 0.000 3.444 61 I HA 0.357 4.528 4.170 0.001 0.000 0.287 61 I C 1.455 177.437 176.117 -0.225 0.000 1.302 61 I CA 1.003 62.096 61.300 -0.346 0.000 1.368 61 I CB -0.905 36.878 38.000 -0.362 0.000 1.048 61 I HN 0.228 nan 8.210 nan 0.000 0.487 62 G N 1.161 109.866 108.800 -0.157 0.000 2.141 62 G HA2 -0.189 3.772 3.960 0.001 0.000 0.231 62 G HA3 -0.189 3.772 3.960 0.001 0.000 0.231 62 G C -0.018 174.860 174.900 -0.036 0.000 0.984 62 G CA -0.022 45.032 45.100 -0.077 0.000 0.660 62 G HN 0.296 nan 8.290 nan 0.000 0.525 63 V N 2.899 122.788 119.914 -0.041 0.000 2.311 63 V HA 0.407 4.528 4.120 0.001 0.000 0.275 63 V C -1.567 174.534 176.094 0.012 0.000 1.022 63 V CA -1.694 60.600 62.300 -0.011 0.000 0.830 63 V CB 1.517 33.332 31.823 -0.013 0.000 1.012 63 V HN 0.228 nan 8.190 nan 0.000 0.452 64 P HA 0.099 nan 4.420 nan 0.000 0.260 64 P C -0.191 177.206 177.300 0.162 0.000 1.207 64 P CA 0.550 63.695 63.100 0.076 0.000 0.780 64 P CB 0.380 32.098 31.700 0.031 0.000 0.789 65 T N 3.515 118.183 114.554 0.190 0.000 2.906 65 T HA 0.565 4.916 4.350 0.001 0.000 0.295 65 T C -0.597 174.170 174.700 0.111 0.000 1.061 65 T CA -0.654 61.571 62.100 0.208 0.000 1.000 65 T CB 2.428 71.357 68.868 0.101 0.000 1.103 65 T HN 0.320 nan 8.240 nan 0.000 0.486 66 K N 1.319 121.710 120.400 -0.014 0.000 2.523 66 K HA 0.637 4.958 4.320 0.001 0.000 0.257 66 K C -1.634 174.767 176.600 -0.333 0.000 0.932 66 K CA -0.664 55.406 56.287 -0.361 0.000 0.812 66 K CB 1.954 33.874 32.500 -0.966 0.000 1.326 66 K HN 0.377 nan 8.250 nan 0.000 0.433 67 V N 4.236 123.915 119.914 -0.392 0.000 2.465 67 V HA 0.395 4.516 4.120 0.001 0.000 0.279 67 V C -0.795 175.008 176.094 -0.484 0.000 1.045 67 V CA -0.295 61.845 62.300 -0.266 0.000 0.938 67 V CB 0.632 32.339 31.823 -0.193 0.000 0.986 67 V HN 0.554 nan 8.190 nan 0.000 0.467 68 F N 3.453 123.399 119.950 -0.007 0.000 2.359 68 F HA 0.367 4.895 4.527 0.001 0.000 0.369 68 F C 0.559 176.352 175.800 -0.012 0.000 1.084 68 F CA -0.418 57.623 58.000 0.068 0.000 1.096 68 F CB 0.732 39.807 39.000 0.126 0.000 1.335 68 F HN 0.483 nan 8.300 nan 0.000 0.457 69 N N 2.543 121.308 118.700 0.108 0.000 2.469 69 N HA 0.192 4.933 4.740 0.001 0.000 0.239 69 N C 0.929 176.519 175.510 0.133 0.000 1.053 69 N CA -0.236 52.830 53.050 0.026 0.000 0.937 69 N CB 0.978 39.446 38.487 -0.033 0.000 1.163 69 N HN 0.394 nan 8.380 nan 0.000 0.509 70 V N 3.508 123.401 119.914 -0.035 0.000 2.568 70 V HA -0.178 3.943 4.120 0.001 0.000 0.253 70 V C 2.345 178.530 176.094 0.152 0.000 1.072 70 V CA 2.113 64.416 62.300 0.005 0.000 1.084 70 V CB -0.817 30.895 31.823 -0.184 0.000 0.676 70 V HN 0.873 nan 8.190 nan 0.000 0.469 71 G N -0.370 108.493 108.800 0.104 0.000 2.422 71 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 71 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 71 G C 1.463 176.432 174.900 0.115 0.000 1.146 71 G CA 0.818 45.994 45.100 0.126 0.000 0.769 71 G HN 0.577 nan 8.290 nan 0.000 0.547 72 E N -0.604 119.658 120.200 0.104 0.000 2.150 72 E HA -0.086 4.265 4.350 0.001 0.000 0.193 72 E C 2.120 178.737 176.600 0.028 0.000 0.985 72 E CA 0.638 57.056 56.400 0.030 0.000 0.814 72 E CB -0.163 29.512 29.700 -0.041 0.000 0.752 72 E HN 0.593 nan 8.360 nan 0.000 0.466 73 Y N 0.696 121.007 120.300 0.020 0.000 2.200 73 Y HA -0.150 4.401 4.550 0.001 0.000 0.290 73 Y C 2.480 178.402 175.900 0.037 0.000 1.137 73 Y CA 1.035 59.157 58.100 0.037 0.000 1.163 73 Y CB -0.152 38.345 38.460 0.062 0.000 0.988 73 Y HN -0.076 nan 8.280 nan 0.000 0.518 74 R N 1.125 121.756 120.500 0.218 0.000 2.083 74 R HA -0.166 4.175 4.340 0.001 0.000 0.237 74 R C 2.079 178.398 176.300 0.032 0.000 1.137 74 R CA 1.638 57.820 56.100 0.137 0.000 0.951 74 R CB -0.372 30.029 30.300 0.169 0.000 0.851 74 R HN 0.301 nan 8.270 nan 0.000 0.434 75 R N 0.057 120.566 120.500 0.015 0.000 2.193 75 R HA -0.145 4.195 4.340 0.001 0.000 0.229 75 R C 2.007 178.287 176.300 -0.032 0.000 1.110 75 R CA 1.382 57.463 56.100 -0.032 0.000 0.988 75 R CB -0.086 30.198 30.300 -0.026 0.000 0.871 75 R HN 0.238 nan 8.270 nan 0.000 0.458 76 E N 0.367 120.556 120.200 -0.019 0.000 2.170 76 E HA -0.004 4.347 4.350 0.001 0.000 0.191 76 E C 1.474 178.069 176.600 -0.007 0.000 0.981 76 E CA 1.159 57.541 56.400 -0.031 0.000 0.830 76 E CB 0.114 29.774 29.700 -0.066 0.000 0.775 76 E HN 0.264 nan 8.360 nan 0.000 0.470 77 A N -0.409 122.423 122.820 0.020 0.000 2.132 77 A HA 0.139 4.460 4.320 0.001 0.000 0.213 77 A C 1.739 179.329 177.584 0.011 0.000 1.154 77 A CA 0.791 52.849 52.037 0.034 0.000 0.753 77 A CB 0.365 19.413 19.000 0.079 0.000 0.826 77 A HN 0.165 nan 8.150 nan 0.000 0.469 78 V N -1.791 118.105 119.914 -0.030 0.000 3.604 78 V HA 0.083 4.204 4.120 0.001 0.000 0.277 78 V C 1.111 177.160 176.094 -0.076 0.000 1.399 78 V CA 0.812 63.070 62.300 -0.071 0.000 1.034 78 V CB 0.147 31.860 31.823 -0.184 0.000 0.824 78 V HN 0.526 nan 8.190 nan 0.000 0.439 79 K N -0.049 120.316 120.400 -0.058 0.000 9.641 79 K HA -0.293 4.028 4.320 0.001 0.000 0.509 79 K C 0.687 177.258 176.600 -0.050 0.000 0.371 79 K CA 2.224 58.483 56.287 -0.047 0.000 1.955 79 K CB -0.836 31.642 32.500 -0.036 0.000 0.718 79 K HN 0.508 nan 8.250 nan 0.000 1.078 80 Q N -0.409 119.354 119.800 -0.062 0.000 2.263 80 Q HA 0.439 4.780 4.340 0.001 0.000 0.266 80 Q C -1.774 174.189 176.000 -0.062 0.000 1.002 80 Q CA -0.765 55.010 55.803 -0.048 0.000 0.790 80 Q CB 1.196 29.913 28.738 -0.036 0.000 1.272 80 Q HN 0.253 nan 8.270 nan 0.000 0.435 81 Y N 2.500 122.686 120.300 -0.191 0.000 2.425 81 Y HA 0.278 4.828 4.550 0.001 0.000 0.331 81 Y C 0.812 176.614 175.900 -0.162 0.000 1.157 81 Y CA 1.437 59.400 58.100 -0.229 0.000 1.372 81 Y CB 0.997 39.305 38.460 -0.253 0.000 1.253 81 Y HN 0.818 nan 8.280 nan 0.000 0.536 82 S N 1.711 116.976 115.700 -0.725 0.000 2.891 82 S HA 0.331 4.802 4.470 0.001 0.000 0.247 82 S C 0.198 174.401 174.600 -0.662 0.000 1.063 82 S CA 0.364 58.258 58.200 -0.509 0.000 0.857 82 S CB -0.321 62.699 63.200 -0.300 0.000 0.800 82 S HN 0.818 nan 8.310 nan 0.000 0.540 83 S N -0.000 115.154 115.700 -0.909 0.000 2.636 83 S HA 0.431 4.902 4.470 0.001 0.000 0.268 83 S C 0.338 174.781 174.600 -0.262 0.000 1.159 83 S CA -0.290 57.621 58.200 -0.483 0.000 0.815 83 S CB -0.072 62.993 63.200 -0.224 0.000 1.130 83 S HN 0.630 nan 8.310 nan 0.000 0.471 84 Y N 0.934 121.369 120.300 0.224 0.000 2.556 84 Y HA 0.106 4.657 4.550 0.001 0.000 0.290 84 Y C 1.584 177.646 175.900 0.271 0.000 1.149 84 Y CA 1.217 59.568 58.100 0.419 0.000 1.329 84 Y CB -0.982 37.654 38.460 0.292 0.000 0.975 84 Y HN 0.584 nan 8.280 nan 0.000 0.561 85 N N 0.610 118.882 118.700 -0.712 0.000 2.258 85 N HA -0.232 4.509 4.740 0.001 0.000 0.187 85 N C 1.513 176.910 175.510 -0.189 0.000 1.012 85 N CA 1.641 54.392 53.050 -0.498 0.000 0.870 85 N CB -0.537 37.678 38.487 -0.453 0.000 0.977 85 N HN 0.544 nan 8.380 nan 0.000 0.434 86 F N 0.631 120.423 119.950 -0.263 0.000 2.216 86 F HA -0.090 4.437 4.527 0.001 0.000 0.300 86 F C 1.234 176.789 175.800 -0.409 0.000 1.085 86 F CA 1.165 58.961 58.000 -0.340 0.000 1.326 86 F CB -0.239 38.507 39.000 -0.423 0.000 1.027 86 F HN -0.108 nan 8.300 nan 0.000 0.497 87 F N 0.564 120.541 119.950 0.046 0.000 2.692 87 F HA 0.251 4.778 4.527 0.001 0.000 0.303 87 F C 0.902 176.605 175.800 -0.161 0.000 1.114 87 F CA -0.302 57.652 58.000 -0.076 0.000 1.361 87 F CB -0.445 38.601 39.000 0.078 0.000 1.063 87 F HN -0.411 nan 8.300 nan 0.000 0.550 88 R N 2.257 122.740 120.500 -0.029 0.000 2.537 88 R HA 0.027 4.368 4.340 0.001 0.000 0.280 88 R C -1.359 174.882 176.300 -0.098 0.000 1.058 88 R CA -1.056 55.026 56.100 -0.029 0.000 1.057 88 R CB 0.084 30.358 30.300 -0.042 0.000 0.973 88 R HN -0.041 nan 8.270 nan 0.000 0.438 89 P HA -0.153 nan 4.420 nan 0.000 0.225 89 P C 0.123 177.377 177.300 -0.078 0.000 1.148 89 P CA 1.142 64.188 63.100 -0.090 0.000 0.779 89 P CB 0.179 31.841 31.700 -0.063 0.000 0.780 90 D N -1.952 118.409 120.400 -0.066 0.000 2.340 90 D HA -0.061 4.580 4.640 0.001 0.000 0.220 90 D C 0.423 176.671 176.300 -0.087 0.000 1.039 90 D CA -0.080 53.883 54.000 -0.062 0.000 0.866 90 D CB -1.160 39.616 40.800 -0.040 0.000 0.913 90 D HN -0.050 nan 8.370 nan 0.000 0.523 91 N N 1.836 120.459 118.700 -0.128 0.000 2.739 91 N HA -0.031 4.710 4.740 0.001 0.000 0.266 91 N C 0.856 176.261 175.510 -0.174 0.000 1.168 91 N CA 0.001 52.948 53.050 -0.171 0.000 1.055 91 N CB 0.486 38.815 38.487 -0.263 0.000 1.393 91 N HN 0.269 nan 8.380 nan 0.000 0.514 92 E N 1.961 122.090 120.200 -0.120 0.000 2.049 92 E HA -0.261 4.090 4.350 0.001 0.000 0.198 92 E C 1.086 177.621 176.600 -0.109 0.000 1.007 92 E CA 1.423 57.764 56.400 -0.098 0.000 0.809 92 E CB 0.141 29.801 29.700 -0.067 0.000 0.749 92 E HN 0.675 nan 8.360 nan 0.000 0.450 93 E N -0.418 119.717 120.200 -0.109 0.000 2.023 93 E HA -0.244 4.107 4.350 0.001 0.000 0.196 93 E C 2.014 178.527 176.600 -0.145 0.000 1.003 93 E CA 1.067 57.409 56.400 -0.096 0.000 0.809 93 E CB -0.200 29.457 29.700 -0.071 0.000 0.755 93 E HN 0.356 nan 8.360 nan 0.000 0.449 94 A N 0.974 123.629 122.820 -0.275 0.000 1.908 94 A HA -0.223 4.098 4.320 0.001 0.000 0.218 94 A C 2.151 179.495 177.584 -0.399 0.000 1.181 94 A CA 1.719 53.433 52.037 -0.538 0.000 0.627 94 A CB -0.470 17.834 19.000 -1.160 0.000 0.818 94 A HN 0.277 nan 8.150 nan 0.000 0.445 95 M N -0.359 119.068 119.600 -0.288 0.000 2.149 95 M HA -0.154 4.327 4.480 0.001 0.000 0.261 95 M C 2.112 178.356 176.300 -0.093 0.000 1.064 95 M CA 1.972 57.168 55.300 -0.173 0.000 1.102 95 M CB -1.043 31.482 32.600 -0.125 0.000 1.369 95 M HN 0.593 nan 8.290 nan 0.000 0.408 96 K N 0.145 120.496 120.400 -0.081 0.000 2.025 96 K HA -0.104 4.217 4.320 0.001 0.000 0.207 96 K C 1.855 178.451 176.600 -0.007 0.000 1.049 96 K CA 1.269 57.536 56.287 -0.033 0.000 0.933 96 K CB 0.070 32.553 32.500 -0.029 0.000 0.714 96 K HN 0.138 nan 8.250 nan 0.000 0.438 97 V N 1.587 121.497 119.914 -0.007 0.000 2.407 97 V HA -0.218 3.903 4.120 0.001 0.000 0.248 97 V C 2.396 178.543 176.094 0.089 0.000 1.055 97 V CA 1.787 64.121 62.300 0.057 0.000 1.049 97 V CB -0.506 31.385 31.823 0.113 0.000 0.662 97 V HN 0.347 nan 8.190 nan 0.000 0.455 98 R N 0.027 120.561 120.500 0.057 0.000 2.075 98 R HA -0.156 4.185 4.340 0.001 0.000 0.232 98 R C 2.432 178.783 176.300 0.085 0.000 1.126 98 R CA 1.555 57.718 56.100 0.104 0.000 0.963 98 R CB -0.328 30.016 30.300 0.073 0.000 0.858 98 R HN 0.441 nan 8.270 nan 0.000 0.435 99 K N 1.076 121.507 120.400 0.051 0.000 2.097 99 K HA -0.197 4.124 4.320 0.001 0.000 0.206 99 K C 2.000 178.628 176.600 0.048 0.000 1.049 99 K CA 1.486 57.804 56.287 0.052 0.000 0.933 99 K CB 0.126 32.645 32.500 0.033 0.000 0.717 99 K HN 0.167 nan 8.250 nan 0.000 0.442 100 Q N -0.317 119.512 119.800 0.048 0.000 2.167 100 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 100 Q C 2.248 178.281 176.000 0.056 0.000 0.970 100 Q CA 1.471 57.303 55.803 0.049 0.000 0.855 100 Q CB -0.008 28.763 28.738 0.055 0.000 0.911 100 Q HN 0.415 nan 8.270 nan 0.000 0.438 101 C N -0.126 119.221 119.300 0.077 0.000 2.446 101 C HA -0.080 4.381 4.460 0.001 0.000 0.277 101 C C 2.815 177.775 174.990 -0.049 0.000 1.275 101 C CA 0.693 59.757 59.018 0.077 0.000 1.727 101 C CB -1.077 26.749 27.740 0.144 0.000 2.010 101 C HN 0.638 nan 8.230 nan 0.000 0.486 102 A N 0.551 123.378 122.820 0.012 0.000 1.877 102 A HA -0.129 4.192 4.320 0.001 0.000 0.216 102 A C 2.091 179.679 177.584 0.005 0.000 1.186 102 A CA 1.564 53.642 52.037 0.068 0.000 0.620 102 A CB -0.671 18.427 19.000 0.164 0.000 0.822 102 A HN 0.610 nan 8.150 nan 0.000 0.443 103 L N -0.886 120.320 121.223 -0.029 0.000 2.141 103 L HA -0.170 4.171 4.340 0.001 0.000 0.209 103 L C 3.056 179.871 176.870 -0.092 0.000 1.094 103 L CA 0.914 55.706 54.840 -0.080 0.000 0.763 103 L CB -0.554 41.489 42.059 -0.027 0.000 0.908 103 L HN 0.451 nan 8.230 nan 0.000 0.437 104 A N 0.150 122.933 122.820 -0.062 0.000 1.898 104 A HA -0.132 4.189 4.320 0.001 0.000 0.216 104 A C 2.548 180.055 177.584 -0.128 0.000 1.181 104 A CA 1.634 53.664 52.037 -0.011 0.000 0.620 104 A CB -0.597 18.477 19.000 0.123 0.000 0.819 104 A HN 0.384 nan 8.150 nan 0.000 0.442 105 A N -0.269 122.268 122.820 -0.472 0.000 1.898 105 A HA -0.005 4.316 4.320 0.001 0.000 0.216 105 A C 2.146 179.570 177.584 -0.266 0.000 1.181 105 A CA 1.405 53.100 52.037 -0.569 0.000 0.620 105 A CB -0.569 18.060 19.000 -0.619 0.000 0.819 105 A HN 0.463 nan 8.150 nan 0.000 0.442 106 L N -1.088 119.939 121.223 -0.327 0.000 2.083 106 L HA -0.171 4.170 4.340 0.001 0.000 0.209 106 L C 2.762 179.430 176.870 -0.338 0.000 1.083 106 L CA 1.606 56.040 54.840 -0.676 0.000 0.752 106 L CB -0.447 40.949 42.059 -1.105 0.000 0.899 106 L HN 0.482 nan 8.230 nan 0.000 0.433 107 R N 0.365 120.783 120.500 -0.137 0.000 2.083 107 R HA -0.202 4.139 4.340 0.001 0.000 0.237 107 R C 1.793 178.138 176.300 0.075 0.000 1.137 107 R CA 2.118 58.242 56.100 0.041 0.000 0.951 107 R CB -0.121 30.213 30.300 0.057 0.000 0.851 107 R HN 0.290 nan 8.270 nan 0.000 0.434 108 D N -0.284 120.148 120.400 0.052 0.000 2.178 108 D HA -0.101 4.540 4.640 0.001 0.000 0.202 108 D C 1.919 178.160 176.300 -0.098 0.000 0.974 108 D CA 0.859 54.941 54.000 0.137 0.000 0.841 108 D CB -0.076 40.971 40.800 0.411 0.000 0.953 108 D HN 0.084 nan 8.370 nan 0.000 0.478 109 V N 1.012 120.622 119.914 -0.506 0.000 2.295 109 V HA -0.253 3.868 4.120 0.001 0.000 0.246 109 V C 2.464 178.568 176.094 0.017 0.000 1.049 109 V CA 1.657 63.578 62.300 -0.631 0.000 1.024 109 V CB -0.388 31.131 31.823 -0.507 0.000 0.648 109 V HN 0.185 nan 8.190 nan 0.000 0.447 110 K N -0.111 120.466 120.400 0.294 0.000 2.032 110 K HA -0.239 4.082 4.320 0.001 0.000 0.209 110 K C 2.463 179.223 176.600 0.265 0.000 1.048 110 K CA 1.989 58.539 56.287 0.438 0.000 0.927 110 K CB -0.372 32.380 32.500 0.420 0.000 0.712 110 K HN 0.422 nan 8.250 nan 0.000 0.441 111 S N -0.490 115.335 115.700 0.208 0.000 2.399 111 S HA -0.187 4.284 4.470 0.001 0.000 0.231 111 S C 1.878 176.603 174.600 0.208 0.000 1.022 111 S CA 1.019 59.331 58.200 0.186 0.000 0.983 111 S CB -0.447 62.863 63.200 0.183 0.000 0.803 111 S HN 0.531 nan 8.310 nan 0.000 0.480 112 Y N 1.824 122.189 120.300 0.108 0.000 2.133 112 Y HA 0.084 4.635 4.550 0.002 0.000 0.287 112 Y C 1.878 177.802 175.900 0.040 0.000 1.134 112 Y CA 1.681 59.858 58.100 0.129 0.000 1.133 112 Y CB -0.467 38.167 38.460 0.290 0.000 0.987 112 Y HN 0.247 nan 8.280 nan 0.000 0.502 113 L N -0.622 120.530 121.223 -0.118 0.000 2.156 113 L HA -0.054 4.286 4.340 0.001 0.000 0.208 113 L C 2.482 179.266 176.870 -0.144 0.000 1.095 113 L CA 1.081 55.724 54.840 -0.329 0.000 0.770 113 L CB -0.695 40.946 42.059 -0.697 0.000 0.914 113 L HN 0.296 nan 8.230 nan 0.000 0.439 114 A N -0.701 122.146 122.820 0.046 0.000 2.147 114 A HA 0.038 4.358 4.320 0.001 0.000 0.211 114 A C 1.962 179.573 177.584 0.044 0.000 1.160 114 A CA 0.502 52.604 52.037 0.108 0.000 0.781 114 A CB 0.139 19.261 19.000 0.204 0.000 0.842 114 A HN 0.292 nan 8.150 nan 0.000 0.475 115 K N -1.166 119.251 120.400 0.028 0.000 2.538 115 K HA 0.148 4.469 4.320 0.001 0.000 0.215 115 K C 0.436 177.040 176.600 0.006 0.000 1.345 115 K CA 0.282 56.584 56.287 0.025 0.000 0.985 115 K CB 0.763 33.295 32.500 0.055 0.000 1.116 115 K HN 0.361 nan 8.250 nan 0.000 0.582 116 E N 0.355 120.540 120.200 -0.026 0.000 2.498 116 E HA 0.112 4.463 4.350 0.001 0.000 0.203 116 E C 0.453 176.983 176.600 -0.118 0.000 1.013 116 E CA 0.205 56.589 56.400 -0.027 0.000 0.927 116 E CB 1.083 30.832 29.700 0.082 0.000 1.012 116 E HN 0.387 nan 8.360 nan 0.000 0.482 117 G N 1.387 110.084 108.800 -0.171 0.000 2.143 117 G HA2 -0.253 3.708 3.960 0.001 0.000 0.249 117 G HA3 -0.253 3.708 3.960 0.001 0.000 0.249 117 G C 0.499 175.210 174.900 -0.315 0.000 0.981 117 G CA -0.208 44.785 45.100 -0.179 0.000 0.665 117 G HN 0.444 nan 8.290 nan 0.000 0.528 118 G N -0.995 107.411 108.800 -0.657 0.000 2.467 118 G HA2 0.510 4.471 3.960 0.001 0.000 0.257 118 G HA3 0.510 4.471 3.960 0.001 0.000 0.257 118 G C 0.507 175.121 174.900 -0.477 0.000 1.227 118 G CA 0.813 45.286 45.100 -1.045 0.000 0.835 118 G HN 0.566 nan 8.290 nan 0.000 0.556 119 Q N 0.254 119.920 119.800 -0.223 0.000 2.471 119 Q HA 0.197 4.538 4.340 0.001 0.000 0.241 119 Q C 0.431 176.401 176.000 -0.050 0.000 0.886 119 Q CA 0.604 56.337 55.803 -0.118 0.000 0.953 119 Q CB 0.431 29.133 28.738 -0.061 0.000 1.108 119 Q HN 0.410 nan 8.270 nan 0.000 0.575 120 I N 1.629 122.243 120.570 0.073 0.000 2.498 120 I HA 0.677 4.848 4.170 0.001 0.000 0.290 120 I C -1.082 175.202 176.117 0.279 0.000 1.032 120 I CA -0.972 60.396 61.300 0.114 0.000 1.073 120 I CB 1.399 39.456 38.000 0.094 0.000 1.251 120 I HN 0.158 nan 8.210 nan 0.000 0.426 121 A N 6.472 129.434 122.820 0.236 0.000 2.304 121 A HA 0.708 5.028 4.320 0.001 0.000 0.314 121 A C -0.724 177.034 177.584 0.290 0.000 1.187 121 A CA -0.517 51.737 52.037 0.361 0.000 0.810 121 A CB 1.299 20.454 19.000 0.259 0.000 1.183 121 A HN 0.405 nan 8.150 nan 0.000 0.487 122 V N 3.216 123.322 119.914 0.320 0.000 2.348 122 V HA 0.225 4.346 4.120 0.001 0.000 0.270 122 V C -0.592 175.702 176.094 0.333 0.000 1.037 122 V CA -0.153 62.297 62.300 0.251 0.000 0.872 122 V CB 0.493 32.405 31.823 0.149 0.000 1.002 122 V HN 0.747 nan 8.190 nan 0.000 0.464 123 F N 4.797 124.816 119.950 0.115 0.000 2.423 123 F HA 0.381 4.909 4.527 0.002 0.000 0.356 123 F C 0.403 176.241 175.800 0.062 0.000 1.170 123 F CA -1.130 56.916 58.000 0.076 0.000 1.163 123 F CB 0.448 39.438 39.000 -0.017 0.000 1.318 123 F HN 0.534 nan 8.300 nan 0.000 0.569 124 D N 5.196 125.481 120.400 -0.192 0.000 2.441 124 D HA 0.557 5.198 4.640 0.001 0.000 0.221 124 D C -0.844 175.268 176.300 -0.313 0.000 1.156 124 D CA 0.133 54.026 54.000 -0.179 0.000 0.896 124 D CB 0.455 41.199 40.800 -0.093 0.000 1.028 124 D HN 0.626 nan 8.370 nan 0.000 0.509 125 A N 2.210 124.865 122.820 -0.274 0.000 2.599 125 A HA 0.502 4.823 4.320 0.001 0.000 0.290 125 A C 1.184 178.724 177.584 -0.073 0.000 1.101 125 A CA -0.114 51.798 52.037 -0.208 0.000 0.674 125 A CB 0.573 19.367 19.000 -0.344 0.000 1.277 125 A HN 0.367 nan 8.150 nan 0.000 0.419 126 T N -0.939 113.591 114.554 -0.040 0.000 2.746 126 T HA -0.124 4.227 4.350 0.001 0.000 0.267 126 T C 0.699 175.428 174.700 0.049 0.000 1.039 126 T CA 1.309 63.373 62.100 -0.059 0.000 1.142 126 T CB -0.614 68.174 68.868 -0.133 0.000 0.866 126 T HN 0.941 nan 8.240 nan 0.000 0.444 127 N N 1.993 120.771 118.700 0.130 0.000 2.702 127 N HA -0.157 4.584 4.740 0.001 0.000 0.255 127 N C 0.782 176.417 175.510 0.208 0.000 0.983 127 N CA 1.226 54.401 53.050 0.208 0.000 0.768 127 N CB -1.589 37.062 38.487 0.273 0.000 0.918 127 N HN 0.895 nan 8.380 nan 0.000 0.540 128 T N -4.329 110.338 114.554 0.188 0.000 3.113 128 T HA 0.010 4.361 4.350 0.001 0.000 0.256 128 T C 1.088 175.968 174.700 0.302 0.000 1.131 128 T CA 0.776 63.025 62.100 0.249 0.000 1.074 128 T CB 0.099 69.044 68.868 0.128 0.000 0.944 128 T HN 0.448 nan 8.240 nan 0.000 0.516 129 T N -1.040 113.646 114.554 0.219 0.000 2.888 129 T HA 0.524 4.875 4.350 0.001 0.000 0.284 129 T C 0.905 175.691 174.700 0.143 0.000 1.017 129 T CA -1.151 61.051 62.100 0.169 0.000 1.022 129 T CB 2.268 71.218 68.868 0.137 0.000 1.013 129 T HN -0.001 nan 8.240 nan 0.000 0.465 130 R N 0.415 120.975 120.500 0.099 0.000 2.096 130 R HA -0.093 4.248 4.340 0.001 0.000 0.235 130 R C 2.428 178.800 176.300 0.120 0.000 1.127 130 R CA 1.396 57.545 56.100 0.082 0.000 0.968 130 R CB -0.190 30.131 30.300 0.035 0.000 0.861 130 R HN 0.837 nan 8.270 nan 0.000 0.440 131 E N 1.306 121.567 120.200 0.102 0.000 2.051 131 E HA -0.257 4.094 4.350 0.001 0.000 0.192 131 E C 1.944 178.646 176.600 0.170 0.000 0.991 131 E CA 1.397 57.865 56.400 0.114 0.000 0.799 131 E CB -0.007 29.735 29.700 0.069 0.000 0.748 131 E HN 0.020 nan 8.360 nan 0.000 0.449 132 R N 1.036 121.632 120.500 0.160 0.000 2.081 132 R HA -0.029 4.312 4.340 0.001 0.000 0.235 132 R C 2.499 178.926 176.300 0.212 0.000 1.131 132 R CA 1.774 57.980 56.100 0.176 0.000 0.960 132 R CB -0.436 29.974 30.300 0.184 0.000 0.856 132 R HN 0.155 nan 8.270 nan 0.000 0.436 133 R N -1.350 119.294 120.500 0.240 0.000 2.096 133 R HA -0.151 4.190 4.340 0.001 0.000 0.235 133 R C 2.245 178.713 176.300 0.279 0.000 1.127 133 R CA 1.683 57.968 56.100 0.307 0.000 0.968 133 R CB -0.624 29.836 30.300 0.267 0.000 0.861 133 R HN 0.450 nan 8.270 nan 0.000 0.440 134 H N 0.888 120.047 119.070 0.148 0.000 2.387 134 H HA -0.086 4.470 4.556 0.001 0.000 0.299 134 H C 2.120 177.540 175.328 0.153 0.000 1.090 134 H CA 1.967 58.094 56.048 0.132 0.000 1.332 134 H CB -0.020 29.790 29.762 0.081 0.000 1.386 134 H HN 0.071 nan 8.280 nan 0.000 0.516 135 M N -0.309 119.375 119.600 0.141 0.000 2.099 135 M HA -0.121 4.359 4.480 0.001 0.000 0.262 135 M C 1.843 178.201 176.300 0.096 0.000 1.067 135 M CA 1.803 57.155 55.300 0.087 0.000 1.124 135 M CB -0.068 32.590 32.600 0.097 0.000 1.353 135 M HN 0.402 nan 8.290 nan 0.000 0.410 136 I N 0.393 121.015 120.570 0.086 0.000 2.286 136 I HA -0.299 3.872 4.170 0.001 0.000 0.248 136 I C 2.204 178.409 176.117 0.146 0.000 1.115 136 I CA 0.653 61.980 61.300 0.045 0.000 1.392 136 I CB -0.467 37.520 38.000 -0.021 0.000 1.065 136 I HN 0.330 nan 8.210 nan 0.000 0.418 137 L N 0.463 121.773 121.223 0.145 0.000 2.046 137 L HA -0.261 4.080 4.340 0.001 0.000 0.208 137 L C 2.595 179.486 176.870 0.034 0.000 1.077 137 L CA 2.023 56.937 54.840 0.123 0.000 0.747 137 L CB -1.243 40.892 42.059 0.126 0.000 0.896 137 L HN 0.301 nan 8.230 nan 0.000 0.432 138 H N -1.550 117.460 119.070 -0.100 0.000 2.321 138 H HA -0.276 4.281 4.556 0.001 0.000 0.300 138 H C 2.110 177.413 175.328 -0.040 0.000 1.087 138 H CA 2.213 58.195 56.048 -0.110 0.000 1.319 138 H CB -0.366 29.311 29.762 -0.141 0.000 1.379 138 H HN 0.300 nan 8.280 nan 0.000 0.501 139 F N 0.830 120.729 119.950 -0.085 0.000 2.126 139 F HA -0.161 4.367 4.527 0.002 0.000 0.299 139 F C 2.394 178.067 175.800 -0.212 0.000 1.096 139 F CA 1.646 59.561 58.000 -0.142 0.000 1.255 139 F CB -0.827 38.112 39.000 -0.101 0.000 0.997 139 F HN 0.274 nan 8.300 nan 0.000 0.479 140 A N 0.374 123.097 122.820 -0.162 0.000 1.873 140 A HA -0.196 4.125 4.320 0.001 0.000 0.215 140 A C 2.163 179.535 177.584 -0.353 0.000 1.186 140 A CA 1.896 53.796 52.037 -0.230 0.000 0.616 140 A CB -0.872 18.157 19.000 0.049 0.000 0.823 140 A HN 0.424 nan 8.150 nan 0.000 0.442 141 K N 0.898 121.138 120.400 -0.267 0.000 2.009 141 K HA -0.218 4.103 4.320 0.001 0.000 0.210 141 K C 1.958 178.335 176.600 -0.372 0.000 1.049 141 K CA 2.168 58.298 56.287 -0.261 0.000 0.929 141 K CB -0.418 31.957 32.500 -0.209 0.000 0.714 141 K HN 0.718 nan 8.250 nan 0.000 0.440 142 E N -0.804 119.099 120.200 -0.495 0.000 2.333 142 E HA -0.171 4.180 4.350 0.001 0.000 0.198 142 E C 0.783 177.065 176.600 -0.530 0.000 1.007 142 E CA 1.090 57.208 56.400 -0.470 0.000 0.845 142 E CB -0.149 29.258 29.700 -0.488 0.000 0.766 142 E HN 0.280 nan 8.360 nan 0.000 0.507 143 N N 0.738 118.962 118.700 -0.793 0.000 2.205 143 N HA 0.009 4.750 4.740 0.001 0.000 0.201 143 N C -0.719 174.174 175.510 -1.028 0.000 1.128 143 N CA 0.493 52.881 53.050 -1.104 0.000 0.867 143 N CB 0.559 37.878 38.487 -1.946 0.000 0.996 143 N HN 0.125 nan 8.380 nan 0.000 0.503 144 D N -0.237 119.807 120.400 -0.594 0.000 2.907 144 D HA -0.158 4.483 4.640 0.001 0.000 0.226 144 D C -0.956 175.303 176.300 -0.069 0.000 1.141 144 D CA 0.676 54.507 54.000 -0.282 0.000 0.779 144 D CB -1.407 39.282 40.800 -0.184 0.000 1.095 144 D HN 0.311 nan 8.370 nan 0.000 0.430 145 F N 0.098 119.949 119.950 -0.165 0.000 2.432 145 F HA 0.440 4.968 4.527 0.001 0.000 0.329 145 F C 1.391 177.149 175.800 -0.070 0.000 1.076 145 F CA -1.244 56.685 58.000 -0.120 0.000 1.018 145 F CB 1.195 40.101 39.000 -0.157 0.000 1.201 145 F HN -0.404 nan 8.300 nan 0.000 0.489 146 K N 1.184 121.688 120.400 0.173 0.000 2.090 146 K HA 0.725 5.046 4.320 0.001 0.000 0.250 146 K C -0.845 175.827 176.600 0.121 0.000 1.004 146 K CA -0.738 55.620 56.287 0.118 0.000 0.919 146 K CB 1.489 34.044 32.500 0.091 0.000 1.045 146 K HN 0.666 nan 8.250 nan 0.000 0.471 147 A N 1.840 124.737 122.820 0.127 0.000 2.359 147 A HA 0.584 4.905 4.320 0.001 0.000 0.303 147 A C -1.765 175.906 177.584 0.144 0.000 1.066 147 A CA -0.553 51.517 52.037 0.056 0.000 0.730 147 A CB 0.533 19.545 19.000 0.021 0.000 1.211 147 A HN 0.588 nan 8.150 nan 0.000 0.439 148 F N 2.679 122.564 119.950 -0.108 0.000 2.518 148 F HA 0.773 5.301 4.527 0.002 0.000 0.323 148 F C -1.692 174.077 175.800 -0.052 0.000 1.129 148 F CA -1.476 56.546 58.000 0.036 0.000 0.920 148 F CB 1.146 40.184 39.000 0.064 0.000 1.160 148 F HN 0.453 nan 8.300 nan 0.000 0.440 149 F N 6.552 126.171 119.950 -0.553 0.000 2.404 149 F HA 0.567 5.095 4.527 0.001 0.000 0.339 149 F C -0.098 175.435 175.800 -0.445 0.000 1.105 149 F CA -0.833 56.969 58.000 -0.330 0.000 1.087 149 F CB 1.275 40.181 39.000 -0.157 0.000 1.143 149 F HN 0.206 nan 8.300 nan 0.000 0.491 150 I N 2.551 123.133 120.570 0.019 0.000 2.411 150 I HA 0.251 4.422 4.170 0.001 0.000 0.284 150 I C -0.599 175.597 176.117 0.132 0.000 1.012 150 I CA -0.475 60.870 61.300 0.076 0.000 1.119 150 I CB 1.636 39.739 38.000 0.172 0.000 1.261 150 I HN 0.613 nan 8.210 nan 0.000 0.448 151 E N 5.015 125.290 120.200 0.125 0.000 2.151 151 E HA 0.379 4.730 4.350 0.001 0.000 0.275 151 E C -0.979 175.688 176.600 0.111 0.000 0.936 151 E CA -0.411 56.066 56.400 0.129 0.000 0.777 151 E CB 1.663 31.439 29.700 0.127 0.000 1.108 151 E HN 0.495 nan 8.360 nan 0.000 0.401 152 S N 3.811 119.568 115.700 0.095 0.000 2.433 152 S HA 0.419 4.890 4.470 0.001 0.000 0.310 152 S C -0.991 173.643 174.600 0.057 0.000 1.097 152 S CA -0.631 57.608 58.200 0.065 0.000 1.103 152 S CB 0.913 64.145 63.200 0.055 0.000 0.992 152 S HN 0.334 nan 8.310 nan 0.000 0.469 153 V N 4.867 124.806 119.914 0.042 0.000 2.417 153 V HA 0.609 4.730 4.120 0.001 0.000 0.291 153 V C -0.302 175.799 176.094 0.012 0.000 1.024 153 V CA -0.735 61.598 62.300 0.056 0.000 0.861 153 V CB 1.080 32.938 31.823 0.058 0.000 0.985 153 V HN 1.000 nan 8.190 nan 0.000 0.436 154 C N 4.259 123.569 119.300 0.017 0.000 2.620 154 C HA 0.489 4.950 4.460 0.001 0.000 0.356 154 C C 0.003 174.995 174.990 0.003 0.000 1.082 154 C CA -0.522 58.491 59.018 -0.008 0.000 1.293 154 C CB 0.724 28.448 27.740 -0.027 0.000 1.836 154 C HN 0.924 nan 8.230 nan 0.000 0.453 155 D N 2.703 123.104 120.400 0.001 0.000 2.525 155 D HA 0.143 4.784 4.640 0.001 0.000 0.229 155 D C -0.241 176.056 176.300 -0.006 0.000 1.202 155 D CA 0.350 54.353 54.000 0.006 0.000 0.828 155 D CB 0.404 41.210 40.800 0.011 0.000 1.008 155 D HN 0.679 nan 8.370 nan 0.000 0.493 156 D N 1.669 122.059 120.400 -0.016 0.000 2.443 156 D HA 0.098 4.738 4.640 0.001 0.000 0.221 156 D C -1.319 174.967 176.300 -0.024 0.000 1.097 156 D CA -2.139 51.848 54.000 -0.022 0.000 0.865 156 D CB 2.146 42.928 40.800 -0.030 0.000 1.034 156 D HN -0.076 nan 8.370 nan 0.000 0.511 157 P HA -0.169 nan 4.420 nan 0.000 0.217 157 P C 1.225 178.507 177.300 -0.030 0.000 1.148 157 P CA 1.094 64.182 63.100 -0.019 0.000 0.828 157 P CB 0.295 31.987 31.700 -0.014 0.000 0.783 158 T N 0.031 114.565 114.554 -0.032 0.000 2.746 158 T HA -0.068 4.283 4.350 0.001 0.000 0.267 158 T C 2.003 176.671 174.700 -0.053 0.000 1.039 158 T CA 1.267 63.343 62.100 -0.040 0.000 1.142 158 T CB -0.809 68.037 68.868 -0.036 0.000 0.866 158 T HN -0.076 nan 8.240 nan 0.000 0.444 159 V N 1.125 121.007 119.914 -0.053 0.000 2.358 159 V HA -0.125 3.996 4.120 0.001 0.000 0.246 159 V C 2.650 178.697 176.094 -0.079 0.000 1.047 159 V CA 1.180 63.439 62.300 -0.069 0.000 1.035 159 V CB -0.664 31.120 31.823 -0.066 0.000 0.658 159 V HN 0.305 nan 8.190 nan 0.000 0.452 160 V N 0.443 120.320 119.914 -0.061 0.000 2.261 160 V HA -0.279 3.842 4.120 0.001 0.000 0.246 160 V C 2.754 178.799 176.094 -0.081 0.000 1.047 160 V CA 2.128 64.393 62.300 -0.059 0.000 1.015 160 V CB -1.246 30.562 31.823 -0.025 0.000 0.642 160 V HN 0.553 nan 8.190 nan 0.000 0.446 161 A N -0.442 122.337 122.820 -0.068 0.000 1.873 161 A HA -0.298 4.023 4.320 0.001 0.000 0.218 161 A C 2.586 180.104 177.584 -0.110 0.000 1.193 161 A CA 2.602 54.591 52.037 -0.079 0.000 0.629 161 A CB -1.044 17.920 19.000 -0.059 0.000 0.826 161 A HN 0.506 nan 8.150 nan 0.000 0.447 162 S N -0.074 115.564 115.700 -0.103 0.000 2.370 162 S HA -0.232 4.239 4.470 0.001 0.000 0.226 162 S C 1.834 176.341 174.600 -0.155 0.000 1.033 162 S CA 1.832 59.962 58.200 -0.117 0.000 1.011 162 S CB -0.799 62.339 63.200 -0.103 0.000 0.852 162 S HN 0.747 nan 8.310 nan 0.000 0.457 163 N N 0.469 119.069 118.700 -0.166 0.000 2.166 163 N HA -0.033 4.707 4.740 0.001 0.000 0.186 163 N C 1.778 177.126 175.510 -0.271 0.000 1.019 163 N CA 1.590 54.515 53.050 -0.208 0.000 0.856 163 N CB -0.268 38.109 38.487 -0.184 0.000 0.993 163 N HN 0.421 nan 8.380 nan 0.000 0.426 164 I N 0.790 121.186 120.570 -0.290 0.000 2.252 164 I HA -0.221 3.950 4.170 0.001 0.000 0.245 164 I C 2.114 178.037 176.117 -0.324 0.000 1.102 164 I CA 0.821 61.872 61.300 -0.415 0.000 1.385 164 I CB -0.098 37.682 38.000 -0.367 0.000 1.064 164 I HN 0.184 nan 8.210 nan 0.000 0.414 165 M N -0.120 119.343 119.600 -0.227 0.000 2.229 165 M HA -0.196 4.285 4.480 0.001 0.000 0.264 165 M C 2.181 178.373 176.300 -0.179 0.000 1.063 165 M CA 1.576 56.768 55.300 -0.180 0.000 1.114 165 M CB -1.168 31.351 32.600 -0.134 0.000 1.387 165 M HN 0.300 nan 8.290 nan 0.000 0.420 166 E N 0.242 120.323 120.200 -0.198 0.000 2.112 166 E HA -0.088 4.263 4.350 0.001 0.000 0.190 166 E C 1.594 178.048 176.600 -0.243 0.000 0.979 166 E CA 1.307 57.587 56.400 -0.200 0.000 0.814 166 E CB 0.476 30.054 29.700 -0.203 0.000 0.762 166 E HN 0.380 nan 8.360 nan 0.000 0.460 167 V N -3.207 116.534 119.914 -0.288 0.000 3.426 167 V HA 0.255 4.375 4.120 0.001 0.000 0.271 167 V C 1.514 177.476 176.094 -0.219 0.000 1.530 167 V CA -0.365 61.750 62.300 -0.309 0.000 1.021 167 V CB 0.575 32.093 31.823 -0.509 0.000 0.824 167 V HN -0.069 nan 8.190 nan 0.000 0.432 168 K N 2.094 122.312 120.400 -0.303 0.000 2.099 168 K HA 0.304 4.625 4.320 0.001 0.000 0.203 168 K C 2.249 178.727 176.600 -0.203 0.000 1.047 168 K CA 1.793 57.883 56.287 -0.328 0.000 0.963 168 K CB -0.431 31.576 32.500 -0.821 0.000 0.759 168 K HN 0.729 nan 8.250 nan 0.000 0.451 169 I N 0.396 120.810 120.570 -0.260 0.000 2.335 169 I HA -0.177 3.994 4.170 0.001 0.000 0.251 169 I C 1.739 177.846 176.117 -0.015 0.000 1.129 169 I CA 1.805 62.997 61.300 -0.180 0.000 1.402 169 I CB -0.613 37.288 38.000 -0.165 0.000 1.069 169 I HN -0.047 nan 8.210 nan 0.000 0.424 170 S N 0.366 116.048 115.700 -0.029 0.000 2.634 170 S HA 0.137 4.608 4.470 0.001 0.000 0.221 170 S C 0.940 175.568 174.600 0.047 0.000 0.952 170 S CA -0.155 58.050 58.200 0.009 0.000 0.930 170 S CB -0.554 62.630 63.200 -0.027 0.000 0.780 170 S HN 0.562 nan 8.310 nan 0.000 0.498 171 S N 2.706 118.461 115.700 0.093 0.000 2.593 171 S HA 0.274 4.745 4.470 0.001 0.000 0.269 171 S C -1.307 173.362 174.600 0.115 0.000 1.334 171 S CA -1.171 57.100 58.200 0.118 0.000 1.015 171 S CB 0.723 64.029 63.200 0.177 0.000 0.912 171 S HN 0.206 nan 8.310 nan 0.000 0.541 172 P HA 0.018 nan 4.420 nan 0.000 0.230 172 P C 0.392 177.695 177.300 0.005 0.000 1.158 172 P CA 0.625 63.746 63.100 0.036 0.000 0.769 172 P CB 0.012 31.721 31.700 0.015 0.000 0.807 173 D N -0.835 119.532 120.400 -0.056 0.000 2.219 173 D HA -0.116 4.525 4.640 0.001 0.000 0.205 173 D C 0.819 176.927 176.300 -0.320 0.000 0.970 173 D CA 1.166 55.010 54.000 -0.260 0.000 0.851 173 D CB -0.349 40.059 40.800 -0.652 0.000 0.943 173 D HN 0.345 nan 8.370 nan 0.000 0.488 174 Y N 0.312 120.682 120.300 0.116 0.000 2.681 174 Y HA 0.135 4.686 4.550 0.001 0.000 0.267 174 Y C 1.670 177.627 175.900 0.094 0.000 1.166 174 Y CA -0.447 57.739 58.100 0.145 0.000 1.209 174 Y CB 0.194 38.726 38.460 0.120 0.000 1.161 174 Y HN -0.078 nan 8.280 nan 0.000 0.534 175 K N -0.873 119.610 120.400 0.138 0.000 2.281 175 K HA -0.146 4.175 4.320 0.001 0.000 0.203 175 K C -0.138 176.517 176.600 0.092 0.000 1.046 175 K CA 1.793 58.139 56.287 0.097 0.000 0.938 175 K CB 0.032 32.566 32.500 0.056 0.000 0.737 175 K HN 0.138 nan 8.250 nan 0.000 0.458 176 D N 0.649 121.112 120.400 0.104 0.000 2.615 176 D HA 0.172 4.813 4.640 0.001 0.000 0.236 176 D C -0.775 175.597 176.300 0.120 0.000 1.233 176 D CA -0.168 53.885 54.000 0.088 0.000 0.829 176 D CB 0.211 41.045 40.800 0.057 0.000 1.024 176 D HN 0.165 nan 8.370 nan 0.000 0.490 177 C N 0.625 120.022 119.300 0.162 0.000 2.898 177 C HA 0.383 4.844 4.460 0.001 0.000 0.304 177 C C 0.265 175.330 174.990 0.125 0.000 1.237 177 C CA -1.185 57.940 59.018 0.177 0.000 1.529 177 C CB 1.519 29.447 27.740 0.314 0.000 2.021 177 C HN 0.386 nan 8.230 nan 0.000 0.474 178 N N 0.363 119.116 118.700 0.089 0.000 2.405 178 N HA 0.320 5.061 4.740 0.001 0.000 0.269 178 N C 0.688 176.219 175.510 0.035 0.000 1.249 178 N CA -0.429 52.652 53.050 0.052 0.000 0.974 178 N CB 0.272 38.782 38.487 0.037 0.000 1.204 178 N HN 0.493 nan 8.380 nan 0.000 0.565 179 S N -0.576 115.127 115.700 0.004 0.000 2.359 179 S HA -0.223 4.247 4.470 0.001 0.000 0.223 179 S C 1.952 176.534 174.600 -0.030 0.000 1.039 179 S CA 1.516 59.698 58.200 -0.029 0.000 1.042 179 S CB -1.036 62.142 63.200 -0.036 0.000 0.915 179 S HN 0.732 nan 8.310 nan 0.000 0.439 180 A N 2.345 125.160 122.820 -0.008 0.000 1.892 180 A HA -0.237 4.084 4.320 0.001 0.000 0.218 180 A C 2.138 179.732 177.584 0.017 0.000 1.188 180 A CA 1.897 53.934 52.037 -0.001 0.000 0.631 180 A CB -0.778 18.226 19.000 0.008 0.000 0.822 180 A HN 0.774 nan 8.150 nan 0.000 0.447 181 E N -0.176 120.051 120.200 0.045 0.000 2.150 181 E HA -0.000 4.350 4.350 0.001 0.000 0.193 181 E C 2.049 178.716 176.600 0.111 0.000 0.985 181 E CA 0.973 57.426 56.400 0.088 0.000 0.814 181 E CB -0.441 29.327 29.700 0.113 0.000 0.752 181 E HN 0.501 nan 8.360 nan 0.000 0.466 182 A N 1.723 124.572 122.820 0.048 0.000 1.877 182 A HA -0.157 4.164 4.320 0.001 0.000 0.216 182 A C 2.263 179.721 177.584 -0.211 0.000 1.186 182 A CA 1.843 53.792 52.037 -0.146 0.000 0.620 182 A CB -0.533 18.293 19.000 -0.289 0.000 0.822 182 A HN 0.327 nan 8.150 nan 0.000 0.443 183 M N 0.552 120.080 119.600 -0.119 0.000 2.086 183 M HA -0.162 4.319 4.480 0.001 0.000 0.261 183 M C 1.568 177.877 176.300 0.014 0.000 1.067 183 M CA 2.644 57.901 55.300 -0.072 0.000 1.116 183 M CB -0.740 31.823 32.600 -0.063 0.000 1.348 183 M HN 0.463 nan 8.290 nan 0.000 0.407 184 D N -0.788 119.629 120.400 0.028 0.000 2.117 184 D HA -0.222 4.419 4.640 0.001 0.000 0.197 184 D C 1.664 178.003 176.300 0.065 0.000 0.987 184 D CA 1.809 55.831 54.000 0.038 0.000 0.829 184 D CB -0.235 40.590 40.800 0.042 0.000 0.961 184 D HN 0.662 nan 8.370 nan 0.000 0.460 185 D N -1.551 118.946 120.400 0.161 0.000 2.117 185 D HA -0.188 4.453 4.640 0.001 0.000 0.197 185 D C 1.751 178.214 176.300 0.272 0.000 0.987 185 D CA 0.778 54.959 54.000 0.302 0.000 0.829 185 D CB -0.277 40.868 40.800 0.576 0.000 0.961 185 D HN 0.261 nan 8.370 nan 0.000 0.460 186 F N 0.135 120.143 119.950 0.097 0.000 2.171 186 F HA -0.122 4.406 4.527 0.001 0.000 0.300 186 F C 2.087 177.893 175.800 0.011 0.000 1.090 186 F CA 0.945 58.981 58.000 0.060 0.000 1.293 186 F CB -0.038 38.898 39.000 -0.107 0.000 1.013 186 F HN 0.002 nan 8.300 nan 0.000 0.486 187 M N 0.149 119.816 119.600 0.112 0.000 2.117 187 M HA -0.208 4.273 4.480 0.001 0.000 0.262 187 M C 2.044 178.299 176.300 -0.076 0.000 1.065 187 M CA 1.650 56.967 55.300 0.027 0.000 1.114 187 M CB -1.237 31.372 32.600 0.014 0.000 1.361 187 M HN 0.090 nan 8.290 nan 0.000 0.408 188 K N -0.511 119.791 120.400 -0.163 0.000 2.097 188 K HA -0.171 4.150 4.320 0.001 0.000 0.206 188 K C 2.165 178.637 176.600 -0.214 0.000 1.049 188 K CA 1.208 57.284 56.287 -0.351 0.000 0.933 188 K CB -0.235 31.713 32.500 -0.920 0.000 0.717 188 K HN 0.251 nan 8.250 nan 0.000 0.442 189 R N 1.305 121.741 120.500 -0.107 0.000 2.073 189 R HA -0.118 4.223 4.340 0.001 0.000 0.234 189 R C 2.205 178.480 176.300 -0.042 0.000 1.134 189 R CA 1.375 57.466 56.100 -0.016 0.000 0.952 189 R CB -0.250 29.904 30.300 -0.244 0.000 0.850 189 R HN 0.115 nan 8.270 nan 0.000 0.433 190 I N 0.885 121.359 120.570 -0.160 0.000 2.208 190 I HA -0.304 3.867 4.170 0.001 0.000 0.245 190 I C 2.463 178.624 176.117 0.073 0.000 1.097 190 I CA 1.680 62.943 61.300 -0.061 0.000 1.363 190 I CB -0.342 37.620 38.000 -0.062 0.000 1.051 190 I HN 0.355 nan 8.210 nan 0.000 0.413 191 S N -0.123 115.592 115.700 0.024 0.000 2.419 191 S HA -0.226 4.245 4.470 0.001 0.000 0.235 191 S C 2.095 176.738 174.600 0.072 0.000 1.019 191 S CA 1.277 59.500 58.200 0.038 0.000 0.982 191 S CB -1.214 61.982 63.200 -0.008 0.000 0.789 191 S HN 0.492 nan 8.310 nan 0.000 0.490 192 C N 0.497 119.848 119.300 0.084 0.000 2.411 192 C HA -0.005 4.456 4.460 0.001 0.000 0.279 192 C C 2.159 177.132 174.990 -0.029 0.000 1.288 192 C CA 0.551 59.587 59.018 0.029 0.000 1.764 192 C CB -1.696 26.044 27.740 0.001 0.000 1.974 192 C HN 0.712 nan 8.230 nan 0.000 0.498 193 Y N 0.463 120.761 120.300 -0.004 0.000 2.517 193 Y HA 0.034 4.585 4.550 0.001 0.000 0.281 193 Y C 2.249 178.165 175.900 0.028 0.000 1.125 193 Y CA 0.526 58.621 58.100 -0.007 0.000 1.283 193 Y CB -0.564 37.843 38.460 -0.088 0.000 1.042 193 Y HN 0.408 nan 8.280 nan 0.000 0.547 194 E N 0.308 120.622 120.200 0.190 0.000 2.110 194 E HA -0.189 4.162 4.350 0.001 0.000 0.193 194 E C 2.355 179.056 176.600 0.168 0.000 0.988 194 E CA 0.950 57.459 56.400 0.181 0.000 0.804 194 E CB -0.129 29.648 29.700 0.128 0.000 0.745 194 E HN 0.465 nan 8.360 nan 0.000 0.458 195 A N 1.239 124.128 122.820 0.115 0.000 1.877 195 A HA -0.177 4.144 4.320 0.001 0.000 0.216 195 A C 2.244 179.888 177.584 0.100 0.000 1.186 195 A CA 1.896 53.985 52.037 0.087 0.000 0.620 195 A CB -0.422 18.610 19.000 0.054 0.000 0.822 195 A HN 0.313 nan 8.150 nan 0.000 0.443 196 S N -2.271 113.500 115.700 0.119 0.000 2.575 196 S HA 0.123 4.594 4.470 0.001 0.000 0.215 196 S C 0.380 175.102 174.600 0.203 0.000 0.966 196 S CA -0.350 57.925 58.200 0.124 0.000 0.911 196 S CB -0.431 62.825 63.200 0.094 0.000 0.780 196 S HN 0.414 nan 8.310 nan 0.000 0.514 197 Y N 3.858 124.203 120.300 0.075 0.000 2.605 197 Y HA 0.287 4.838 4.550 0.001 0.000 0.336 197 Y C -0.092 175.836 175.900 0.048 0.000 1.111 197 Y CA -1.017 57.128 58.100 0.075 0.000 1.422 197 Y CB -0.161 38.344 38.460 0.076 0.000 1.193 197 Y HN 0.317 nan 8.280 nan 0.000 0.526 198 Q N 9.352 129.216 119.800 0.105 0.000 2.456 198 Q HA 0.324 4.665 4.340 0.001 0.000 0.252 198 Q C -2.415 173.458 176.000 -0.211 0.000 1.042 198 Q CA -2.215 53.517 55.803 -0.119 0.000 0.766 198 Q CB 1.446 30.181 28.738 -0.004 0.000 1.196 198 Q HN 0.508 nan 8.270 nan 0.000 0.504 199 P HA 0.006 nan 4.420 nan 0.000 0.272 199 P C -0.251 176.973 177.300 -0.126 0.000 1.240 199 P CA -0.235 62.663 63.100 -0.335 0.000 0.791 199 P CB 1.036 32.458 31.700 -0.463 0.000 0.978 200 L N 1.300 122.491 121.223 -0.053 0.000 2.485 200 L HA 0.063 4.404 4.340 0.001 0.000 0.275 200 L C 0.904 177.730 176.870 -0.073 0.000 1.207 200 L CA 0.691 55.485 54.840 -0.076 0.000 0.855 200 L CB -0.307 41.706 42.059 -0.076 0.000 1.114 200 L HN 0.379 nan 8.230 nan 0.000 0.485 201 D N 4.312 124.667 120.400 -0.076 0.000 2.412 201 D HA 0.222 4.863 4.640 0.001 0.000 0.276 201 D C -1.612 174.662 176.300 -0.044 0.000 1.196 201 D CA -1.905 52.062 54.000 -0.056 0.000 0.905 201 D CB 1.195 41.962 40.800 -0.055 0.000 1.081 201 D HN 0.153 nan 8.370 nan 0.000 0.502 202 P HA -0.050 nan 4.420 nan 0.000 0.223 202 P C 0.286 177.585 177.300 -0.002 0.000 1.151 202 P CA 0.674 63.766 63.100 -0.014 0.000 0.787 202 P CB 0.577 32.280 31.700 0.005 0.000 0.788 203 D N -0.374 120.024 120.400 -0.003 0.000 2.349 203 D HA 0.045 4.686 4.640 0.001 0.000 0.224 203 D C 1.239 177.537 176.300 -0.003 0.000 1.029 203 D CA 0.637 54.638 54.000 0.002 0.000 0.879 203 D CB 0.508 41.309 40.800 0.003 0.000 0.906 203 D HN 0.395 nan 8.370 nan 0.000 0.528 204 K N -0.875 119.518 120.400 -0.011 0.000 2.832 204 K HA 0.082 4.403 4.320 0.001 0.000 0.279 204 K C 1.541 178.132 176.600 -0.015 0.000 2.110 204 K CA -0.297 55.983 56.287 -0.011 0.000 1.163 204 K CB -0.438 32.053 32.500 -0.015 0.000 2.731 204 K HN -0.037 nan 8.250 nan 0.000 0.582 205 C N 2.901 122.187 119.300 -0.023 0.000 2.403 205 C HA -0.105 4.356 4.460 0.001 0.000 0.277 205 C C 0.786 175.756 174.990 -0.034 0.000 1.248 205 C CA 1.518 60.520 59.018 -0.026 0.000 1.762 205 C CB -0.902 26.818 27.740 -0.034 0.000 2.014 205 C HN 0.410 nan 8.230 nan 0.000 0.486 206 D N -0.650 119.720 120.400 -0.049 0.000 2.463 206 D HA 0.110 4.751 4.640 0.001 0.000 0.224 206 D C 1.832 178.107 176.300 -0.042 0.000 1.174 206 D CA -0.142 53.814 54.000 -0.073 0.000 0.829 206 D CB -0.326 40.395 40.800 -0.131 0.000 0.993 206 D HN 0.575 nan 8.370 nan 0.000 0.497 207 R N 0.631 121.122 120.500 -0.015 0.000 2.139 207 R HA -0.128 4.213 4.340 0.001 0.000 0.243 207 R C 0.528 176.841 176.300 0.020 0.000 1.145 207 R CA 1.120 57.224 56.100 0.006 0.000 0.976 207 R CB 0.135 30.442 30.300 0.011 0.000 0.866 207 R HN 0.061 nan 8.270 nan 0.000 0.449 208 D N -0.250 120.163 120.400 0.021 0.000 2.340 208 D HA 0.102 4.743 4.640 0.001 0.000 0.217 208 D C 0.066 176.401 176.300 0.058 0.000 1.081 208 D CA 0.313 54.339 54.000 0.042 0.000 0.842 208 D CB 0.251 41.077 40.800 0.045 0.000 0.934 208 D HN 0.126 nan 8.370 nan 0.000 0.511 209 L N 0.509 121.750 121.223 0.030 0.000 2.357 209 L HA 0.299 4.640 4.340 0.001 0.000 0.273 209 L C 0.475 177.415 176.870 0.116 0.000 1.080 209 L CA -0.488 54.384 54.840 0.054 0.000 0.803 209 L CB 1.474 43.452 42.059 -0.136 0.000 1.174 209 L HN -0.291 nan 8.230 nan 0.000 0.443 210 S N 3.962 119.801 115.700 0.232 0.000 2.439 210 S HA 0.620 5.091 4.470 0.001 0.000 0.282 210 S C -0.370 174.313 174.600 0.139 0.000 1.170 210 S CA -0.543 57.838 58.200 0.300 0.000 1.054 210 S CB 0.389 63.870 63.200 0.468 0.000 0.956 210 S HN 0.404 nan 8.310 nan 0.000 0.490 211 L N 1.436 122.673 121.223 0.023 0.000 2.720 211 L HA 0.795 5.136 4.340 0.001 0.000 0.261 211 L C -1.169 175.648 176.870 -0.089 0.000 1.046 211 L CA -1.015 53.652 54.840 -0.288 0.000 0.886 211 L CB 1.645 43.645 42.059 -0.097 0.000 1.493 211 L HN 0.538 nan 8.230 nan 0.000 0.407 212 I N 0.884 121.390 120.570 -0.106 0.000 2.569 212 I HA 0.505 4.676 4.170 0.001 0.000 0.290 212 I C -1.446 174.754 176.117 0.139 0.000 1.088 212 I CA -0.538 60.855 61.300 0.155 0.000 1.047 212 I CB 1.732 39.937 38.000 0.341 0.000 1.237 212 I HN 0.848 nan 8.210 nan 0.000 0.421 213 K N 7.538 128.037 120.400 0.165 0.000 2.367 213 K HA 0.509 4.830 4.320 0.001 0.000 0.263 213 K C -1.656 175.017 176.600 0.122 0.000 1.000 213 K CA -0.558 55.800 56.287 0.119 0.000 0.891 213 K CB 1.538 34.082 32.500 0.073 0.000 1.117 213 K HN 0.497 nan 8.250 nan 0.000 0.443 214 V N 6.747 126.716 119.914 0.092 0.000 2.406 214 V HA 0.327 4.448 4.120 0.001 0.000 0.272 214 V C 0.114 176.118 176.094 -0.150 0.000 1.043 214 V CA -0.461 61.802 62.300 -0.062 0.000 0.915 214 V CB 0.657 32.524 31.823 0.073 0.000 0.988 214 V HN 0.663 nan 8.190 nan 0.000 0.466 215 I N 3.651 124.036 120.570 -0.309 0.000 2.530 215 I HA 0.466 4.637 4.170 0.001 0.000 0.297 215 I C -0.081 175.909 176.117 -0.211 0.000 1.011 215 I CA -0.699 60.483 61.300 -0.196 0.000 1.107 215 I CB 1.789 39.702 38.000 -0.146 0.000 1.285 215 I HN 0.566 nan 8.210 nan 0.000 0.436 216 D N 5.065 125.392 120.400 -0.122 0.000 2.697 216 D HA -0.137 4.504 4.640 0.001 0.000 0.238 216 D C 0.435 176.668 176.300 -0.111 0.000 1.152 216 D CA 0.563 54.503 54.000 -0.099 0.000 0.666 216 D CB -0.792 39.956 40.800 -0.088 0.000 1.037 216 D HN 0.514 nan 8.370 nan 0.000 0.423 217 V N -1.878 117.973 119.914 -0.104 0.000 5.175 217 V HA -0.255 3.866 4.120 0.001 0.000 0.279 217 V C 1.697 177.742 176.094 -0.081 0.000 0.571 217 V CA 2.135 64.385 62.300 -0.082 0.000 0.694 217 V CB -2.053 29.733 31.823 -0.062 0.000 0.525 217 V HN 1.251 nan 8.190 nan 0.000 1.093 218 G N -0.639 108.033 108.800 -0.214 0.000 2.141 218 G HA2 -0.331 3.630 3.960 0.001 0.000 0.231 218 G HA3 -0.331 3.630 3.960 0.001 0.000 0.231 218 G C 0.507 175.276 174.900 -0.219 0.000 0.984 218 G CA 0.820 45.767 45.100 -0.255 0.000 0.660 218 G HN 0.792 nan 8.290 nan 0.000 0.525 219 R N 0.115 120.474 120.500 -0.234 0.000 2.075 219 R HA 0.257 4.598 4.340 0.001 0.000 0.226 219 R C 1.346 177.575 176.300 -0.119 0.000 1.114 219 R CA 1.578 57.617 56.100 -0.101 0.000 0.972 219 R CB 0.039 30.292 30.300 -0.079 0.000 0.869 219 R HN 0.481 nan 8.270 nan 0.000 0.437 220 R N -0.667 119.645 120.500 -0.313 0.000 2.744 220 R HA 0.363 4.704 4.340 0.001 0.000 0.279 220 R C -1.579 174.446 176.300 -0.460 0.000 0.977 220 R CA -0.602 55.380 56.100 -0.197 0.000 0.906 220 R CB 0.963 31.212 30.300 -0.084 0.000 1.197 220 R HN -0.018 nan 8.270 nan 0.000 0.463 221 F N 2.712 122.696 119.950 0.056 0.000 2.588 221 F HA 0.514 5.042 4.527 0.002 0.000 0.310 221 F C -0.682 175.158 175.800 0.066 0.000 1.082 221 F CA -0.806 57.235 58.000 0.069 0.000 0.929 221 F CB 2.008 41.060 39.000 0.087 0.000 1.254 221 F HN 0.218 nan 8.300 nan 0.000 0.455 222 L N 3.091 124.469 121.223 0.258 0.000 2.349 222 L HA 0.795 5.135 4.340 0.001 0.000 0.278 222 L C -1.582 175.401 176.870 0.188 0.000 0.996 222 L CA -0.668 54.275 54.840 0.171 0.000 0.825 222 L CB 1.475 43.595 42.059 0.102 0.000 1.243 222 L HN 0.445 nan 8.230 nan 0.000 0.412 223 V N 4.791 124.808 119.914 0.172 0.000 2.487 223 V HA 0.452 4.572 4.120 0.001 0.000 0.298 223 V C -0.469 175.715 176.094 0.149 0.000 1.028 223 V CA -0.683 61.727 62.300 0.183 0.000 0.860 223 V CB 1.808 33.742 31.823 0.186 0.000 0.991 223 V HN 0.748 nan 8.190 nan 0.000 0.427 224 N N 4.450 123.243 118.700 0.156 0.000 2.346 224 N HA 0.331 5.072 4.740 0.001 0.000 0.289 224 N C 0.070 175.682 175.510 0.169 0.000 1.027 224 N CA -0.810 52.318 53.050 0.129 0.000 0.864 224 N CB 1.550 40.088 38.487 0.085 0.000 1.370 224 N HN 0.818 nan 8.380 nan 0.000 0.481 225 R N 0.793 121.378 120.500 0.142 0.000 2.879 225 R HA -0.128 4.213 4.340 0.001 0.000 0.241 225 R C -0.950 175.462 176.300 0.186 0.000 0.845 225 R CA 0.056 56.242 56.100 0.144 0.000 0.599 225 R CB -2.487 27.885 30.300 0.120 0.000 1.213 225 R HN 0.116 nan 8.270 nan 0.000 0.510 226 V N 2.366 122.387 119.914 0.177 0.000 2.617 226 V HA -0.109 4.012 4.120 0.001 0.000 0.304 226 V C 1.758 177.909 176.094 0.095 0.000 1.040 226 V CA 0.719 63.106 62.300 0.146 0.000 1.149 226 V CB 1.262 33.138 31.823 0.087 0.000 0.914 226 V HN 0.648 nan 8.190 nan 0.000 0.487 227 Q N 2.123 121.967 119.800 0.073 0.000 2.373 227 Q HA 0.142 4.483 4.340 0.001 0.000 0.210 227 Q C -0.066 175.950 176.000 0.027 0.000 0.913 227 Q CA 0.569 56.407 55.803 0.059 0.000 0.911 227 Q CB 0.509 29.291 28.738 0.074 0.000 1.040 227 Q HN 1.030 nan 8.270 nan 0.000 0.521 228 D N -2.341 118.049 120.400 -0.017 0.000 2.825 228 D HA -0.039 4.602 4.640 0.001 0.000 0.327 228 D C 0.641 176.918 176.300 -0.039 0.000 1.277 228 D CA -0.601 53.390 54.000 -0.016 0.000 0.950 228 D CB -0.305 40.461 40.800 -0.057 0.000 1.438 228 D HN 0.013 nan 8.370 nan 0.000 0.526 229 H N -0.578 118.486 119.070 -0.011 0.000 2.389 229 H HA -0.028 4.529 4.556 0.002 0.000 0.299 229 H C 1.556 176.878 175.328 -0.010 0.000 1.081 229 H CA 0.825 56.869 56.048 -0.007 0.000 1.345 229 H CB -0.155 29.607 29.762 0.001 0.000 1.393 229 H HN 0.307 nan 8.280 nan 0.000 0.520 230 I N 1.909 122.078 120.570 -0.668 0.000 2.202 230 I HA -0.235 3.936 4.170 0.001 0.000 0.242 230 I C 2.606 178.586 176.117 -0.228 0.000 1.091 230 I CA 1.340 62.414 61.300 -0.376 0.000 1.368 230 I CB -0.430 37.331 38.000 -0.398 0.000 1.058 230 I HN 0.209 nan 8.210 nan 0.000 0.410 231 Q N -0.896 118.723 119.800 -0.302 0.000 2.170 231 Q HA -0.200 4.141 4.340 0.001 0.000 0.203 231 Q C 2.401 178.233 176.000 -0.281 0.000 0.976 231 Q CA 1.675 57.191 55.803 -0.478 0.000 0.858 231 Q CB -0.279 28.116 28.738 -0.571 0.000 0.907 231 Q HN 0.535 nan 8.270 nan 0.000 0.433 232 S N 0.256 115.885 115.700 -0.119 0.000 2.356 232 S HA -0.144 4.327 4.470 0.001 0.000 0.223 232 S C 1.885 176.527 174.600 0.069 0.000 1.032 232 S CA 0.907 59.102 58.200 -0.009 0.000 1.005 232 S CB 0.064 63.281 63.200 0.029 0.000 0.867 232 S HN 0.252 nan 8.310 nan 0.000 0.449 233 R N 0.661 121.221 120.500 0.101 0.000 2.092 233 R HA 0.103 4.444 4.340 0.001 0.000 0.231 233 R C 2.282 178.724 176.300 0.237 0.000 1.119 233 R CA 1.060 57.299 56.100 0.232 0.000 0.970 233 R CB -1.053 29.396 30.300 0.249 0.000 0.864 233 R HN 0.521 nan 8.270 nan 0.000 0.440 234 I N 0.303 120.940 120.570 0.113 0.000 2.179 234 I HA -0.250 3.921 4.170 0.001 0.000 0.242 234 I C 2.331 178.551 176.117 0.172 0.000 1.088 234 I CA 1.095 62.471 61.300 0.127 0.000 1.357 234 I CB -0.274 37.722 38.000 -0.006 0.000 1.051 234 I HN -0.115 nan 8.210 nan 0.000 0.409 235 V N 0.226 120.208 119.914 0.114 0.000 2.295 235 V HA -0.326 3.795 4.120 0.001 0.000 0.246 235 V C 2.302 178.472 176.094 0.128 0.000 1.049 235 V CA 1.965 64.351 62.300 0.142 0.000 1.024 235 V CB -0.809 31.091 31.823 0.127 0.000 0.648 235 V HN 0.402 nan 8.190 nan 0.000 0.447 236 Y N 0.114 120.428 120.300 0.024 0.000 2.114 236 Y HA -0.336 4.215 4.550 0.002 0.000 0.282 236 Y C 2.450 178.354 175.900 0.007 0.000 1.165 236 Y CA 1.881 59.986 58.100 0.008 0.000 1.148 236 Y CB -0.887 37.606 38.460 0.055 0.000 0.972 236 Y HN 0.380 nan 8.280 nan 0.000 0.504 237 Y N 0.141 120.337 120.300 -0.172 0.000 2.089 237 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 237 Y C 2.381 178.160 175.900 -0.203 0.000 1.139 237 Y CA 2.188 60.073 58.100 -0.359 0.000 1.123 237 Y CB -0.766 37.438 38.460 -0.426 0.000 0.980 237 Y HN 0.142 nan 8.280 nan 0.000 0.493 238 L N -0.400 120.828 121.223 0.007 0.000 2.081 238 L HA -0.315 4.026 4.340 0.001 0.000 0.212 238 L C 2.354 179.184 176.870 -0.066 0.000 1.080 238 L CA 1.840 56.693 54.840 0.021 0.000 0.754 238 L CB -0.583 41.594 42.059 0.197 0.000 0.893 238 L HN 0.356 nan 8.230 nan 0.000 0.433 239 M N -0.929 118.516 119.600 -0.259 0.000 2.659 239 M HA -0.061 4.420 4.480 0.001 0.000 0.243 239 M C 0.797 176.978 176.300 -0.197 0.000 1.111 239 M CA 0.850 55.854 55.300 -0.493 0.000 1.070 239 M CB -0.082 32.102 32.600 -0.693 0.000 1.525 239 M HN 0.256 nan 8.290 nan 0.000 0.517 240 N N 0.740 119.300 118.700 -0.234 0.000 2.170 240 N HA 0.260 5.001 4.740 0.001 0.000 0.222 240 N C -0.108 175.309 175.510 -0.155 0.000 1.218 240 N CA 0.088 53.025 53.050 -0.190 0.000 0.889 240 N CB 1.256 39.550 38.487 -0.321 0.000 1.083 240 N HN 0.376 nan 8.380 nan 0.000 0.520 241 I N -1.053 119.405 120.570 -0.186 0.000 2.676 241 I HA 0.492 4.662 4.170 0.001 0.000 0.309 241 I C -0.036 176.108 176.117 0.045 0.000 0.990 241 I CA -0.678 60.526 61.300 -0.159 0.000 1.168 241 I CB 1.773 39.585 38.000 -0.313 0.000 1.343 241 I HN -0.100 nan 8.210 nan 0.000 0.482 242 H N 2.778 121.857 119.070 0.015 0.000 2.977 242 H HA 0.436 4.993 4.556 0.001 0.000 0.350 242 H C -0.303 175.046 175.328 0.036 0.000 1.238 242 H CA -0.589 55.477 56.048 0.030 0.000 1.124 242 H CB 1.867 31.643 29.762 0.022 0.000 1.866 242 H HN 0.522 nan 8.280 nan 0.000 0.550 243 V N -2.130 117.812 119.914 0.046 0.000 3.661 243 V HA 0.154 4.275 4.120 0.001 0.000 0.271 243 V C 0.092 176.197 176.094 0.017 0.000 1.315 243 V CA -0.036 62.232 62.300 -0.053 0.000 1.072 243 V CB -0.318 31.403 31.823 -0.171 0.000 0.830 243 V HN 0.438 nan 8.190 nan 0.000 0.443 244 Q N 3.553 123.466 119.800 0.189 0.000 2.283 244 Q HA 0.250 4.591 4.340 0.001 0.000 0.301 244 Q C -2.156 173.908 176.000 0.107 0.000 1.063 244 Q CA -0.777 55.114 55.803 0.147 0.000 0.952 244 Q CB -0.277 28.565 28.738 0.174 0.000 1.166 244 Q HN 0.449 nan 8.270 nan 0.000 0.381 245 P HA 0.196 nan 4.420 nan 0.000 0.271 245 P C -0.850 176.461 177.300 0.018 0.000 1.218 245 P CA -0.312 62.791 63.100 0.005 0.000 0.780 245 P CB 1.023 32.711 31.700 -0.021 0.000 0.901 246 R N -0.156 120.337 120.500 -0.012 0.000 2.826 246 R HA 0.758 5.099 4.340 0.001 0.000 0.269 246 R C -1.263 174.979 176.300 -0.097 0.000 1.031 246 R CA -0.770 55.317 56.100 -0.022 0.000 0.900 246 R CB -0.470 29.848 30.300 0.031 0.000 1.318 246 R HN 0.258 nan 8.270 nan 0.000 0.447 247 T N 0.466 114.939 114.554 -0.136 0.000 2.861 247 T HA 0.643 4.994 4.350 0.001 0.000 0.287 247 T C -0.581 173.901 174.700 -0.363 0.000 1.003 247 T CA -0.602 61.318 62.100 -0.301 0.000 0.977 247 T CB 1.000 69.632 68.868 -0.392 0.000 0.996 247 T HN 0.398 nan 8.240 nan 0.000 0.448 248 I N 3.101 123.382 120.570 -0.481 0.000 2.389 248 I HA 0.415 4.586 4.170 0.001 0.000 0.288 248 I C -1.191 174.651 176.117 -0.459 0.000 0.999 248 I CA -0.911 60.137 61.300 -0.421 0.000 1.129 248 I CB 1.261 38.942 38.000 -0.530 0.000 1.288 248 I HN 0.596 nan 8.210 nan 0.000 0.444 249 Y N 6.407 126.627 120.300 -0.133 0.000 2.360 249 Y HA 0.648 5.199 4.550 0.001 0.000 0.337 249 Y C -0.282 175.583 175.900 -0.059 0.000 1.039 249 Y CA -0.745 57.325 58.100 -0.051 0.000 1.109 249 Y CB 1.415 39.903 38.460 0.047 0.000 1.201 249 Y HN 0.273 nan 8.280 nan 0.000 0.458 250 L N 4.497 125.781 121.223 0.102 0.000 2.386 250 L HA 0.808 5.148 4.340 0.001 0.000 0.271 250 L C -0.680 176.246 176.870 0.093 0.000 0.993 250 L CA -0.752 54.133 54.840 0.075 0.000 0.819 250 L CB 1.685 43.771 42.059 0.045 0.000 1.294 250 L HN 0.896 nan 8.230 nan 0.000 0.414 251 C N 0.826 120.183 119.300 0.094 0.000 3.311 251 C HA 0.665 5.126 4.460 0.001 0.000 0.325 251 C C -0.516 174.495 174.990 0.035 0.000 1.352 251 C CA -1.149 57.918 59.018 0.082 0.000 1.308 251 C CB 2.162 30.010 27.740 0.180 0.000 1.619 251 C HN 0.928 nan 8.230 nan 0.000 0.469 252 R N 0.296 120.757 120.500 -0.065 0.000 2.553 252 R HA 0.584 4.925 4.340 0.001 0.000 0.263 252 R C -0.089 176.096 176.300 -0.190 0.000 1.066 252 R CA -0.372 55.589 56.100 -0.231 0.000 1.135 252 R CB 0.548 30.593 30.300 -0.425 0.000 1.148 252 R HN 0.958 nan 8.270 nan 0.000 0.558 253 H N -1.142 117.898 119.070 -0.050 0.000 2.836 253 H HA 0.231 4.788 4.556 0.002 0.000 0.368 253 H C 0.641 176.043 175.328 0.124 0.000 1.164 253 H CA -0.231 55.838 56.048 0.034 0.000 1.425 253 H CB 0.016 29.737 29.762 -0.068 0.000 1.414 253 H HN 0.697 nan 8.280 nan 0.000 0.614 254 G N 0.354 109.409 108.800 0.425 0.000 2.664 254 G HA2 0.014 3.975 3.960 0.001 0.000 0.242 254 G HA3 0.014 3.975 3.960 0.001 0.000 0.242 254 G C -0.354 174.800 174.900 0.424 0.000 1.225 254 G CA -0.522 44.865 45.100 0.478 0.000 0.849 254 G HN 0.935 nan 8.290 nan 0.000 0.581 255 E N 0.063 120.524 120.200 0.435 0.000 2.568 255 E HA -0.063 4.287 4.350 0.001 0.000 0.262 255 E C 0.358 177.105 176.600 0.245 0.000 0.961 255 E CA 0.184 56.722 56.400 0.231 0.000 0.945 255 E CB 0.206 30.001 29.700 0.158 0.000 0.924 255 E HN 0.595 nan 8.360 nan 0.000 0.467 256 N N 2.470 121.293 118.700 0.204 0.000 2.619 256 N HA 0.095 4.836 4.740 0.001 0.000 0.294 256 N C 0.246 175.827 175.510 0.118 0.000 1.279 256 N CA -0.572 52.550 53.050 0.121 0.000 0.867 256 N CB 0.563 39.055 38.487 0.007 0.000 1.329 256 N HN 0.412 nan 8.380 nan 0.000 0.557 257 E N -0.864 119.398 120.200 0.104 0.000 2.150 257 E HA -0.188 4.162 4.350 0.001 0.000 0.193 257 E C 0.713 177.435 176.600 0.203 0.000 0.985 257 E CA 1.290 57.771 56.400 0.136 0.000 0.814 257 E CB -0.359 29.419 29.700 0.129 0.000 0.752 257 E HN 0.564 nan 8.360 nan 0.000 0.466 258 H N 1.084 120.168 119.070 0.023 0.000 2.423 258 H HA 0.001 4.558 4.556 0.001 0.000 0.297 258 H C 1.873 177.226 175.328 0.041 0.000 1.075 258 H CA 0.857 56.917 56.048 0.019 0.000 1.342 258 H CB -0.091 29.670 29.762 -0.001 0.000 1.395 258 H HN 0.114 nan 8.280 nan 0.000 0.530 259 N N 0.410 119.222 118.700 0.186 0.000 2.084 259 N HA -0.120 4.621 4.740 0.001 0.000 0.190 259 N C 2.053 177.624 175.510 0.101 0.000 1.030 259 N CA 0.762 53.897 53.050 0.142 0.000 0.849 259 N CB -0.467 38.105 38.487 0.141 0.000 1.012 259 N HN 0.318 nan 8.380 nan 0.000 0.423 260 L N 1.020 122.299 121.223 0.093 0.000 2.127 260 L HA -0.180 4.161 4.340 0.001 0.000 0.211 260 L C 1.699 178.600 176.870 0.051 0.000 1.089 260 L CA 1.263 56.145 54.840 0.069 0.000 0.757 260 L CB -0.274 41.827 42.059 0.071 0.000 0.899 260 L HN 0.214 nan 8.230 nan 0.000 0.434 261 Q N -0.607 119.216 119.800 0.039 0.000 2.319 261 Q HA 0.159 4.500 4.340 0.001 0.000 0.202 261 Q C 1.199 177.201 176.000 0.003 0.000 0.896 261 Q CA 0.452 56.255 55.803 0.001 0.000 0.942 261 Q CB 0.669 29.372 28.738 -0.058 0.000 1.083 261 Q HN 0.513 nan 8.270 nan 0.000 0.510 262 G N 2.014 110.840 108.800 0.043 0.000 2.249 262 G HA2 -0.322 3.639 3.960 0.001 0.000 0.273 262 G HA3 -0.322 3.639 3.960 0.001 0.000 0.273 262 G C -0.227 174.686 174.900 0.022 0.000 1.036 262 G CA 0.121 45.269 45.100 0.080 0.000 0.824 262 G HN 0.211 nan 8.290 nan 0.000 0.504 263 R N -0.352 120.120 120.500 -0.047 0.000 2.474 263 R HA 0.654 4.994 4.340 0.001 0.000 0.295 263 R C 1.103 177.366 176.300 -0.061 0.000 0.980 263 R CA -0.610 55.404 56.100 -0.144 0.000 0.934 263 R CB 1.226 31.294 30.300 -0.386 0.000 1.101 263 R HN 0.549 nan 8.270 nan 0.000 0.469 264 I N -0.925 119.556 120.570 -0.148 0.000 2.677 264 I HA 0.677 4.847 4.170 0.001 0.000 0.305 264 I C 0.761 176.855 176.117 -0.038 0.000 0.988 264 I CA -0.104 61.124 61.300 -0.119 0.000 1.260 264 I CB 1.239 39.054 38.000 -0.308 0.000 1.410 264 I HN 0.769 nan 8.210 nan 0.000 0.523 265 G N 2.842 111.618 108.800 -0.039 0.000 2.569 265 G HA2 0.244 4.205 3.960 0.001 0.000 0.259 265 G HA3 0.244 4.205 3.960 0.001 0.000 0.259 265 G C 0.424 175.311 174.900 -0.023 0.000 1.263 265 G CA 0.052 45.112 45.100 -0.067 0.000 0.928 265 G HN 2.641 nan 8.290 nan 0.000 0.572 266 G N -1.503 107.257 108.800 -0.068 0.000 2.782 266 G HA2 0.329 4.290 3.960 0.001 0.000 0.228 266 G HA3 0.329 4.290 3.960 0.001 0.000 0.228 266 G C -0.216 174.555 174.900 -0.215 0.000 1.372 266 G CA 0.949 45.966 45.100 -0.139 0.000 0.862 266 G HN 2.100 nan 8.290 nan 0.000 0.547 267 D N -0.286 119.956 120.400 -0.263 0.000 2.945 267 D HA 0.458 5.099 4.640 0.001 0.000 0.369 267 D C 1.016 177.182 176.300 -0.222 0.000 1.294 267 D CA 0.668 54.555 54.000 -0.189 0.000 0.778 267 D CB -0.203 40.535 40.800 -0.104 0.000 1.188 267 D HN 0.856 nan 8.370 nan 0.000 0.479 268 S N -1.347 114.130 115.700 -0.371 0.000 2.614 268 S HA 0.725 5.196 4.470 0.001 0.000 0.265 268 S C 0.920 175.437 174.600 -0.138 0.000 1.303 268 S CA -0.391 57.642 58.200 -0.278 0.000 1.000 268 S CB 1.663 64.637 63.200 -0.377 0.000 0.935 268 S HN 0.158 nan 8.310 nan 0.000 0.551 269 G N -0.015 108.748 108.800 -0.061 0.000 2.502 269 G HA2 0.526 4.486 3.960 0.001 0.000 0.305 269 G HA3 0.526 4.486 3.960 0.001 0.000 0.305 269 G C -0.320 174.589 174.900 0.014 0.000 1.190 269 G CA -1.283 43.805 45.100 -0.020 0.000 0.933 269 G HN 0.799 nan 8.290 nan 0.000 0.503 270 L N 1.025 122.272 121.223 0.040 0.000 2.514 270 L HA 0.127 4.468 4.340 0.001 0.000 0.280 270 L C 1.464 178.384 176.870 0.084 0.000 1.223 270 L CA -0.283 54.607 54.840 0.084 0.000 0.864 270 L CB 0.606 42.723 42.059 0.096 0.000 1.118 270 L HN 0.698 nan 8.230 nan 0.000 0.494 271 S N 0.675 116.441 115.700 0.109 0.000 2.661 271 S HA 0.120 4.590 4.470 0.001 0.000 0.265 271 S C 1.228 175.884 174.600 0.093 0.000 1.225 271 S CA -0.208 58.051 58.200 0.098 0.000 0.986 271 S CB 1.333 64.600 63.200 0.113 0.000 1.008 271 S HN 0.718 nan 8.310 nan 0.000 0.565 272 S N 0.809 116.556 115.700 0.079 0.000 2.382 272 S HA -0.146 4.325 4.470 0.001 0.000 0.228 272 S C 1.798 176.444 174.600 0.077 0.000 1.027 272 S CA 0.794 59.033 58.200 0.065 0.000 0.991 272 S CB -0.595 62.637 63.200 0.053 0.000 0.823 272 S HN 0.740 nan 8.310 nan 0.000 0.469 273 R N 1.316 121.880 120.500 0.107 0.000 2.066 273 R HA 0.102 4.443 4.340 0.001 0.000 0.232 273 R C 2.819 179.206 176.300 0.145 0.000 1.131 273 R CA 1.157 57.337 56.100 0.134 0.000 0.955 273 R CB -1.163 29.259 30.300 0.203 0.000 0.851 273 R HN 0.557 nan 8.270 nan 0.000 0.432 274 G N 1.681 110.611 108.800 0.216 0.000 2.469 274 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 274 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 274 G C 1.139 176.140 174.900 0.168 0.000 1.150 274 G CA 0.946 46.205 45.100 0.266 0.000 0.763 274 G HN 0.285 nan 8.290 nan 0.000 0.561 275 K N 0.367 120.827 120.400 0.099 0.000 2.097 275 K HA -0.006 4.315 4.320 0.001 0.000 0.205 275 K C 2.518 179.118 176.600 -0.000 0.000 1.050 275 K CA 1.003 57.316 56.287 0.044 0.000 0.938 275 K CB -0.129 32.391 32.500 0.033 0.000 0.718 275 K HN 0.224 nan 8.250 nan 0.000 0.442 276 K N 0.375 120.776 120.400 0.002 0.000 2.057 276 K HA -0.151 4.170 4.320 0.001 0.000 0.207 276 K C 2.031 178.579 176.600 -0.087 0.000 1.049 276 K CA 1.306 57.570 56.287 -0.037 0.000 0.931 276 K CB -0.243 32.245 32.500 -0.021 0.000 0.714 276 K HN 0.078 nan 8.250 nan 0.000 0.440 277 F N 1.968 121.744 119.950 -0.290 0.000 2.102 277 F HA -0.184 4.344 4.527 0.001 0.000 0.298 277 F C 2.172 177.850 175.800 -0.203 0.000 1.105 277 F CA 1.308 59.067 58.000 -0.401 0.000 1.239 277 F CB -0.567 37.976 39.000 -0.762 0.000 0.991 277 F HN -0.032 nan 8.300 nan 0.000 0.474 278 A N -0.330 122.299 122.820 -0.319 0.000 1.917 278 A HA -0.204 4.117 4.320 0.001 0.000 0.219 278 A C 2.380 179.763 177.584 -0.335 0.000 1.182 278 A CA 2.226 54.040 52.037 -0.372 0.000 0.633 278 A CB -1.323 17.603 19.000 -0.123 0.000 0.819 278 A HN 0.479 nan 8.150 nan 0.000 0.448 279 S N -0.293 115.273 115.700 -0.224 0.000 2.355 279 S HA 0.007 4.478 4.470 0.001 0.000 0.222 279 S C 2.342 176.823 174.600 -0.197 0.000 1.031 279 S CA 1.104 59.204 58.200 -0.166 0.000 0.993 279 S CB -0.503 62.633 63.200 -0.106 0.000 0.859 279 S HN 0.821 nan 8.310 nan 0.000 0.453 280 A N 1.465 124.140 122.820 -0.243 0.000 1.908 280 A HA -0.086 4.235 4.320 0.001 0.000 0.218 280 A C 2.120 179.556 177.584 -0.247 0.000 1.181 280 A CA 1.445 53.354 52.037 -0.213 0.000 0.627 280 A CB -0.756 18.124 19.000 -0.201 0.000 0.818 280 A HN 0.413 nan 8.150 nan 0.000 0.445 281 L N -0.176 120.751 121.223 -0.493 0.000 2.046 281 L HA -0.118 4.223 4.340 0.001 0.000 0.208 281 L C 2.612 179.379 176.870 -0.171 0.000 1.077 281 L CA 2.551 57.145 54.840 -0.409 0.000 0.747 281 L CB -0.785 40.847 42.059 -0.711 0.000 0.896 281 L HN 0.361 nan 8.230 nan 0.000 0.432 282 S N -0.830 114.755 115.700 -0.191 0.000 2.370 282 S HA -0.283 4.188 4.470 0.001 0.000 0.226 282 S C 2.224 176.768 174.600 -0.094 0.000 1.033 282 S CA 1.799 59.924 58.200 -0.125 0.000 1.011 282 S CB -0.362 62.771 63.200 -0.112 0.000 0.852 282 S HN 0.546 nan 8.310 nan 0.000 0.457 283 K N -0.661 119.691 120.400 -0.080 0.000 2.057 283 K HA -0.129 4.192 4.320 0.001 0.000 0.207 283 K C 1.966 178.546 176.600 -0.034 0.000 1.049 283 K CA 1.562 57.816 56.287 -0.055 0.000 0.931 283 K CB -0.420 32.054 32.500 -0.043 0.000 0.714 283 K HN 0.457 nan 8.250 nan 0.000 0.440 284 F N 1.461 121.320 119.950 -0.151 0.000 2.069 284 F HA -0.231 4.297 4.527 0.001 0.000 0.298 284 F C 1.874 177.573 175.800 -0.167 0.000 1.113 284 F CA 1.416 59.331 58.000 -0.141 0.000 1.214 284 F CB -0.568 38.344 39.000 -0.147 0.000 0.978 284 F HN -0.207 nan 8.300 nan 0.000 0.474 285 V N 0.575 120.327 119.914 -0.270 0.000 2.287 285 V HA -0.352 3.769 4.120 0.001 0.000 0.248 285 V C 2.433 178.323 176.094 -0.342 0.000 1.053 285 V CA 2.361 64.421 62.300 -0.400 0.000 1.027 285 V CB -0.839 30.849 31.823 -0.225 0.000 0.646 285 V HN 0.451 nan 8.190 nan 0.000 0.447 286 E N 0.245 120.312 120.200 -0.222 0.000 2.070 286 E HA -0.303 4.047 4.350 0.001 0.000 0.197 286 E C 2.256 178.742 176.600 -0.189 0.000 1.004 286 E CA 1.752 58.053 56.400 -0.165 0.000 0.805 286 E CB -0.141 29.491 29.700 -0.113 0.000 0.744 286 E HN 0.866 nan 8.360 nan 0.000 0.451 287 E N -0.234 119.827 120.200 -0.231 0.000 2.268 287 E HA -0.211 4.139 4.350 0.001 0.000 0.195 287 E C 1.806 178.251 176.600 -0.258 0.000 0.995 287 E CA 0.631 56.904 56.400 -0.211 0.000 0.836 287 E CB -0.018 29.577 29.700 -0.174 0.000 0.763 287 E HN 0.215 nan 8.360 nan 0.000 0.491 288 Q N 1.088 120.652 119.800 -0.393 0.000 2.364 288 Q HA -0.092 4.249 4.340 0.001 0.000 0.207 288 Q C 0.430 176.330 176.000 -0.167 0.000 0.970 288 Q CA 0.500 56.114 55.803 -0.316 0.000 0.888 288 Q CB -0.482 28.000 28.738 -0.427 0.000 0.951 288 Q HN 0.434 nan 8.270 nan 0.000 0.469 289 N N 0.532 119.136 118.700 -0.160 0.000 2.705 289 N HA -0.193 4.548 4.740 0.001 0.000 0.255 289 N C -1.193 174.275 175.510 -0.071 0.000 1.008 289 N CA 0.244 53.234 53.050 -0.100 0.000 0.742 289 N CB -1.025 37.415 38.487 -0.078 0.000 0.906 289 N HN 0.228 nan 8.380 nan 0.000 0.541 290 L N 1.205 122.385 121.223 -0.073 0.000 2.292 290 L HA 0.148 4.489 4.340 0.001 0.000 0.284 290 L C 1.626 178.478 176.870 -0.029 0.000 1.065 290 L CA -0.623 54.196 54.840 -0.036 0.000 0.806 290 L CB 1.359 43.408 42.059 -0.017 0.000 1.175 290 L HN 0.158 nan 8.230 nan 0.000 0.431 291 K N 2.165 122.555 120.400 -0.017 0.000 1.987 291 K HA -0.121 4.200 4.320 0.001 0.000 0.216 291 K C 0.059 176.655 176.600 -0.007 0.000 1.051 291 K CA 1.759 58.038 56.287 -0.013 0.000 0.942 291 K CB 0.112 32.606 32.500 -0.008 0.000 0.722 291 K HN 0.545 nan 8.250 nan 0.000 0.444 292 D N -0.676 119.724 120.400 0.000 0.000 2.619 292 D HA 0.358 4.999 4.640 0.001 0.000 0.241 292 D C -1.328 174.979 176.300 0.012 0.000 1.087 292 D CA -0.533 53.473 54.000 0.009 0.000 0.851 292 D CB 1.843 42.653 40.800 0.017 0.000 1.474 292 D HN 0.128 nan 8.370 nan 0.000 0.478 293 L N 1.928 123.160 121.223 0.015 0.000 2.528 293 L HA 0.342 4.683 4.340 0.001 0.000 0.267 293 L C -1.325 175.561 176.870 0.027 0.000 0.961 293 L CA -0.516 54.331 54.840 0.011 0.000 0.866 293 L CB 1.311 43.359 42.059 -0.018 0.000 1.248 293 L HN 0.142 nan 8.230 nan 0.000 0.404 294 R N 3.455 123.962 120.500 0.012 0.000 2.410 294 R HA 0.678 5.019 4.340 0.001 0.000 0.288 294 R C -1.010 175.292 176.300 0.003 0.000 1.051 294 R CA -0.633 55.499 56.100 0.053 0.000 1.021 294 R CB 1.578 31.912 30.300 0.057 0.000 1.032 294 R HN 0.452 nan 8.270 nan 0.000 0.481 295 V N 3.727 123.750 119.914 0.183 0.000 2.448 295 V HA 0.421 4.542 4.120 0.001 0.000 0.295 295 V C -0.851 175.579 176.094 0.560 0.000 1.025 295 V CA -0.821 61.613 62.300 0.225 0.000 0.859 295 V CB 1.701 33.658 31.823 0.224 0.000 0.988 295 V HN 0.565 nan 8.190 nan 0.000 0.431 296 W N 2.577 124.006 121.300 0.216 0.000 2.736 296 W HA 0.787 5.448 4.660 0.002 0.000 0.335 296 W C 0.288 176.940 176.519 0.221 0.000 1.059 296 W CA -0.892 56.622 57.345 0.281 0.000 1.226 296 W CB 1.857 31.411 29.460 0.157 0.000 1.416 296 W HN 0.677 nan 8.180 nan 0.000 0.505 297 T N -1.736 113.129 114.554 0.517 0.000 2.864 297 T HA 0.736 5.087 4.350 0.001 0.000 0.289 297 T C 0.259 175.178 174.700 0.366 0.000 1.082 297 T CA -0.616 61.689 62.100 0.340 0.000 1.009 297 T CB 1.461 70.474 68.868 0.242 0.000 1.234 297 T HN 0.331 nan 8.240 nan 0.000 0.526 298 S N 0.175 116.062 115.700 0.311 0.000 2.646 298 S HA 0.312 4.783 4.470 0.001 0.000 0.273 298 S C 0.624 175.380 174.600 0.259 0.000 1.168 298 S CA -0.834 57.559 58.200 0.321 0.000 1.013 298 S CB 0.227 63.680 63.200 0.423 0.000 1.098 298 S HN 0.809 nan 8.310 nan 0.000 0.544 299 Q N -0.249 119.669 119.800 0.197 0.000 2.204 299 Q HA 0.374 4.715 4.340 0.001 0.000 0.209 299 Q C -0.716 175.353 176.000 0.115 0.000 0.861 299 Q CA -0.090 55.798 55.803 0.142 0.000 0.971 299 Q CB -0.143 28.651 28.738 0.093 0.000 1.095 299 Q HN 0.488 nan 8.270 nan 0.000 0.486 300 L N 0.799 122.112 121.223 0.149 0.000 2.312 300 L HA 0.204 4.545 4.340 0.001 0.000 0.281 300 L C 1.452 178.377 176.870 0.092 0.000 1.070 300 L CA -0.328 54.576 54.840 0.106 0.000 0.805 300 L CB 0.945 43.082 42.059 0.130 0.000 1.174 300 L HN 0.032 nan 8.230 nan 0.000 0.434 301 K N 1.351 121.774 120.400 0.038 0.000 2.077 301 K HA -0.278 4.043 4.320 0.001 0.000 0.213 301 K C 2.048 178.656 176.600 0.013 0.000 1.051 301 K CA 2.375 58.675 56.287 0.022 0.000 0.929 301 K CB -0.034 32.463 32.500 -0.005 0.000 0.715 301 K HN 0.842 nan 8.250 nan 0.000 0.451 302 S N -0.251 115.434 115.700 -0.025 0.000 2.383 302 S HA -0.187 4.284 4.470 0.001 0.000 0.229 302 S C 2.078 176.705 174.600 0.044 0.000 1.030 302 S CA 1.921 60.097 58.200 -0.040 0.000 1.002 302 S CB -1.080 61.958 63.200 -0.270 0.000 0.829 302 S HN 0.611 nan 8.310 nan 0.000 0.467 303 T N 0.416 114.996 114.554 0.043 0.000 2.896 303 T HA 0.188 4.538 4.350 0.001 0.000 0.263 303 T C 1.862 176.556 174.700 -0.009 0.000 1.050 303 T CA 0.850 62.981 62.100 0.052 0.000 1.140 303 T CB -0.758 68.142 68.868 0.054 0.000 0.877 303 T HN 0.445 nan 8.240 nan 0.000 0.457 304 I N 1.324 121.891 120.570 -0.006 0.000 2.252 304 I HA -0.168 4.003 4.170 0.001 0.000 0.245 304 I C 3.082 179.122 176.117 -0.129 0.000 1.102 304 I CA 1.392 62.639 61.300 -0.087 0.000 1.385 304 I CB -0.469 37.569 38.000 0.064 0.000 1.064 304 I HN 0.290 nan 8.210 nan 0.000 0.414 305 Q N 0.129 119.907 119.800 -0.035 0.000 2.084 305 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 305 Q C 2.254 178.225 176.000 -0.048 0.000 0.978 305 Q CA 2.102 57.893 55.803 -0.021 0.000 0.844 305 Q CB -0.243 28.504 28.738 0.016 0.000 0.898 305 Q HN 0.498 nan 8.270 nan 0.000 0.426 306 T N 0.817 115.354 114.554 -0.028 0.000 2.708 306 T HA -0.169 4.182 4.350 0.001 0.000 0.266 306 T C 1.881 176.507 174.700 -0.123 0.000 1.037 306 T CA 1.312 63.395 62.100 -0.028 0.000 1.146 306 T CB -0.274 68.640 68.868 0.076 0.000 0.865 306 T HN 0.398 nan 8.240 nan 0.000 0.435 307 A N 1.475 124.161 122.820 -0.223 0.000 1.969 307 A HA -0.083 4.238 4.320 0.001 0.000 0.218 307 A C 2.277 179.680 177.584 -0.302 0.000 1.169 307 A CA 1.064 52.890 52.037 -0.352 0.000 0.635 307 A CB -0.348 18.191 19.000 -0.769 0.000 0.810 307 A HN 0.318 nan 8.150 nan 0.000 0.445 308 E N 0.051 120.099 120.200 -0.252 0.000 2.160 308 E HA -0.164 4.187 4.350 0.001 0.000 0.195 308 E C 2.210 178.796 176.600 -0.024 0.000 0.991 308 E CA 1.131 57.502 56.400 -0.048 0.000 0.810 308 E CB -0.417 29.287 29.700 0.007 0.000 0.742 308 E HN 0.601 nan 8.360 nan 0.000 0.466 309 A N 0.832 123.614 122.820 -0.064 0.000 2.067 309 A HA -0.093 4.227 4.320 0.001 0.000 0.219 309 A C 2.212 179.758 177.584 -0.063 0.000 1.158 309 A CA 0.683 52.682 52.037 -0.063 0.000 0.661 309 A CB -0.470 18.472 19.000 -0.097 0.000 0.801 309 A HN 0.176 nan 8.150 nan 0.000 0.452 310 L N -2.092 119.094 121.223 -0.061 0.000 2.395 310 L HA 0.026 4.367 4.340 0.001 0.000 0.218 310 L C 0.851 177.716 176.870 -0.009 0.000 1.130 310 L CA 0.329 55.140 54.840 -0.047 0.000 0.826 310 L CB -0.300 41.732 42.059 -0.045 0.000 0.941 310 L HN 0.376 nan 8.230 nan 0.000 0.451 311 R N 0.064 120.578 120.500 0.023 0.000 3.525 311 R HA -0.152 4.189 4.340 0.001 0.000 0.276 311 R C -0.724 175.609 176.300 0.055 0.000 1.116 311 R CA 0.399 56.523 56.100 0.041 0.000 0.745 311 R CB -2.022 28.286 30.300 0.013 0.000 1.185 311 R HN 0.307 nan 8.270 nan 0.000 0.454 312 L N 0.218 121.499 121.223 0.096 0.000 2.371 312 L HA 0.621 4.962 4.340 0.001 0.000 0.262 312 L C -1.869 175.112 176.870 0.185 0.000 1.006 312 L CA -2.324 52.579 54.840 0.105 0.000 0.818 312 L CB 1.950 44.056 42.059 0.079 0.000 1.354 312 L HN -0.152 nan 8.230 nan 0.000 0.415 313 P HA 0.196 nan 4.420 nan 0.000 0.275 313 P C -1.771 175.666 177.300 0.229 0.000 1.227 313 P CA 0.037 63.204 63.100 0.111 0.000 0.781 313 P CB 0.521 32.251 31.700 0.049 0.000 0.906 314 Y N -1.745 118.629 120.300 0.123 0.000 2.581 314 Y HA 0.684 5.235 4.550 0.001 0.000 0.345 314 Y C -0.706 175.307 175.900 0.188 0.000 1.036 314 Y CA -1.444 56.770 58.100 0.190 0.000 1.042 314 Y CB 1.725 40.288 38.460 0.173 0.000 1.289 314 Y HN 0.390 nan 8.280 nan 0.000 0.471 315 E N 1.765 122.218 120.200 0.422 0.000 2.210 315 E HA 0.319 4.669 4.350 0.001 0.000 0.266 315 E C -1.548 175.246 176.600 0.323 0.000 0.883 315 E CA -0.882 55.642 56.400 0.207 0.000 0.761 315 E CB 1.555 31.323 29.700 0.112 0.000 1.156 315 E HN 0.808 nan 8.360 nan 0.000 0.412 316 Q N 3.284 123.185 119.800 0.169 0.000 2.256 316 Q HA 0.268 4.609 4.340 0.001 0.000 0.254 316 Q C -1.303 174.756 176.000 0.097 0.000 0.916 316 Q CA -0.363 55.580 55.803 0.234 0.000 0.932 316 Q CB 1.215 30.060 28.738 0.178 0.000 1.207 316 Q HN 0.389 nan 8.270 nan 0.000 0.426 317 W N 2.084 123.398 121.300 0.023 0.000 2.471 317 W HA 0.345 5.006 4.660 0.001 0.000 0.318 317 W C 0.972 177.509 176.519 0.029 0.000 1.034 317 W CA -0.758 56.574 57.345 -0.021 0.000 1.224 317 W CB 1.141 30.570 29.460 -0.052 0.000 1.335 317 W HN 0.630 nan 8.180 nan 0.000 0.452 318 K N 2.319 122.836 120.400 0.195 0.000 2.209 318 K HA -0.133 4.188 4.320 0.001 0.000 0.204 318 K C 1.863 178.559 176.600 0.160 0.000 1.048 318 K CA 1.473 57.841 56.287 0.135 0.000 0.940 318 K CB 0.109 32.647 32.500 0.065 0.000 0.729 318 K HN 0.582 nan 8.250 nan 0.000 0.451 319 A N 0.703 123.663 122.820 0.234 0.000 2.125 319 A HA -0.075 4.246 4.320 0.001 0.000 0.219 319 A C 1.713 179.401 177.584 0.173 0.000 1.156 319 A CA 0.970 53.129 52.037 0.203 0.000 0.671 319 A CB -0.253 18.913 19.000 0.277 0.000 0.794 319 A HN 0.302 nan 8.150 nan 0.000 0.459 320 L N -0.262 121.092 121.223 0.218 0.000 2.592 320 L HA 0.075 4.416 4.340 0.001 0.000 0.227 320 L C 0.381 177.378 176.870 0.212 0.000 1.127 320 L CA -0.355 54.609 54.840 0.208 0.000 0.884 320 L CB -0.417 41.784 42.059 0.237 0.000 1.065 320 L HN 0.361 nan 8.230 nan 0.000 0.457 321 N N 1.006 119.776 118.700 0.116 0.000 2.416 321 N HA -0.032 4.709 4.740 0.001 0.000 0.246 321 N C 0.253 175.657 175.510 -0.177 0.000 1.260 321 N CA -0.161 52.861 53.050 -0.046 0.000 0.897 321 N CB 0.586 39.043 38.487 -0.051 0.000 1.110 321 N HN 0.052 nan 8.380 nan 0.000 0.439 322 E N 1.675 121.559 120.200 -0.527 0.000 2.418 322 E HA 0.054 4.405 4.350 0.001 0.000 0.261 322 E C -0.199 176.283 176.600 -0.197 0.000 1.070 322 E CA -0.260 55.922 56.400 -0.363 0.000 0.931 322 E CB 0.505 29.928 29.700 -0.461 0.000 0.954 322 E HN 0.343 nan 8.360 nan 0.000 0.439 323 I N 2.639 123.117 120.570 -0.154 0.000 2.919 323 I HA -0.145 4.026 4.170 0.001 0.000 0.303 323 I C 0.073 176.106 176.117 -0.140 0.000 1.221 323 I CA 0.757 61.964 61.300 -0.156 0.000 1.444 323 I CB 0.393 38.264 38.000 -0.215 0.000 1.331 323 I HN 0.495 nan 8.210 nan 0.000 0.572 324 D N 6.804 127.133 120.400 -0.119 0.000 2.339 324 D HA 0.217 4.858 4.640 0.001 0.000 0.241 324 D C 0.392 176.591 176.300 -0.168 0.000 1.183 324 D CA -0.134 53.786 54.000 -0.134 0.000 0.859 324 D CB 1.655 42.396 40.800 -0.098 0.000 1.067 324 D HN 0.648 nan 8.370 nan 0.000 0.484 325 A N 3.410 126.025 122.820 -0.343 0.000 2.276 325 A HA 0.394 4.715 4.320 0.001 0.000 0.212 325 A C 1.474 178.735 177.584 -0.539 0.000 1.230 325 A CA 0.721 52.271 52.037 -0.812 0.000 0.844 325 A CB -0.629 17.734 19.000 -1.062 0.000 0.860 325 A HN 0.859 nan 8.150 nan 0.000 0.486 326 G N -0.304 108.355 108.800 -0.235 0.000 2.629 326 G HA2 -0.393 3.568 3.960 0.001 0.000 0.313 326 G HA3 -0.393 3.568 3.960 0.001 0.000 0.313 326 G C 1.320 176.134 174.900 -0.143 0.000 1.217 326 G CA 1.970 46.990 45.100 -0.133 0.000 0.994 326 G HN 1.526 nan 8.290 nan 0.000 0.549 327 V N -1.950 117.890 119.914 -0.122 0.000 3.444 327 V HA 0.145 4.266 4.120 0.001 0.000 0.271 327 V C 2.177 178.184 176.094 -0.146 0.000 1.188 327 V CA 2.193 64.433 62.300 -0.101 0.000 1.168 327 V CB -0.748 31.032 31.823 -0.071 0.000 0.810 327 V HN 0.923 nan 8.190 nan 0.000 0.500 328 C N 0.119 119.269 119.300 -0.251 0.000 2.906 328 C HA 0.317 4.778 4.460 0.001 0.000 0.274 328 C C 1.020 175.862 174.990 -0.247 0.000 1.257 328 C CA -0.729 58.144 59.018 -0.242 0.000 1.695 328 C CB -1.184 26.383 27.740 -0.290 0.000 1.958 328 C HN 0.530 nan 8.230 nan 0.000 0.619 329 E N 1.807 121.868 120.200 -0.232 0.000 2.442 329 E HA -0.002 4.349 4.350 0.001 0.000 0.262 329 E C 0.614 177.160 176.600 -0.089 0.000 1.004 329 E CA 0.833 57.127 56.400 -0.176 0.000 0.928 329 E CB 0.302 29.921 29.700 -0.135 0.000 0.937 329 E HN 0.367 nan 8.360 nan 0.000 0.446 330 E N -0.943 119.228 120.200 -0.050 0.000 4.086 330 E HA -0.241 4.110 4.350 0.001 0.000 0.363 330 E C 0.011 176.554 176.600 -0.095 0.000 0.616 330 E CA 0.615 57.006 56.400 -0.016 0.000 1.293 330 E CB -1.241 28.470 29.700 0.018 0.000 1.747 330 E HN 0.240 nan 8.360 nan 0.000 0.405 331 L N 1.587 122.751 121.223 -0.098 0.000 2.456 331 L HA 0.336 4.677 4.340 0.001 0.000 0.257 331 L C 1.414 178.202 176.870 -0.137 0.000 1.162 331 L CA 0.532 55.322 54.840 -0.084 0.000 0.808 331 L CB 0.631 42.678 42.059 -0.019 0.000 1.136 331 L HN 0.138 nan 8.230 nan 0.000 0.466 332 T N -2.762 111.742 114.554 -0.083 0.000 2.934 332 T HA 0.294 4.644 4.350 0.001 0.000 0.283 332 T C 1.081 175.770 174.700 -0.019 0.000 1.005 332 T CA -0.245 61.815 62.100 -0.068 0.000 1.041 332 T CB 0.320 69.192 68.868 0.006 0.000 1.042 332 T HN 0.360 nan 8.240 nan 0.000 0.505 333 Y N 0.092 120.455 120.300 0.105 0.000 2.274 333 Y HA -0.102 4.449 4.550 0.001 0.000 0.290 333 Y C 2.819 178.794 175.900 0.124 0.000 1.145 333 Y CA 1.580 59.795 58.100 0.191 0.000 1.203 333 Y CB -0.123 38.474 38.460 0.230 0.000 0.984 333 Y HN 0.826 nan 8.280 nan 0.000 0.533 334 E N 1.303 121.614 120.200 0.186 0.000 2.072 334 E HA -0.238 4.113 4.350 0.001 0.000 0.191 334 E C 1.380 177.992 176.600 0.021 0.000 0.985 334 E CA 1.626 58.057 56.400 0.052 0.000 0.801 334 E CB -0.107 29.617 29.700 0.040 0.000 0.750 334 E HN 0.627 nan 8.360 nan 0.000 0.452 335 E N 0.368 120.596 120.200 0.047 0.000 2.150 335 E HA -0.086 4.264 4.350 0.001 0.000 0.193 335 E C 2.317 178.977 176.600 0.099 0.000 0.985 335 E CA 0.874 57.299 56.400 0.042 0.000 0.814 335 E CB -0.037 29.683 29.700 0.033 0.000 0.752 335 E HN 0.378 nan 8.360 nan 0.000 0.466 336 I N 0.807 121.477 120.570 0.166 0.000 2.202 336 I HA -0.236 3.934 4.170 0.001 0.000 0.242 336 I C 2.748 179.012 176.117 0.246 0.000 1.091 336 I CA 0.875 62.362 61.300 0.312 0.000 1.368 336 I CB -0.230 37.993 38.000 0.371 0.000 1.058 336 I HN 0.033 nan 8.210 nan 0.000 0.410 337 R N 1.046 121.552 120.500 0.011 0.000 2.083 337 R HA -0.203 4.138 4.340 0.001 0.000 0.237 337 R C 1.809 178.028 176.300 -0.135 0.000 1.137 337 R CA 2.160 58.049 56.100 -0.352 0.000 0.951 337 R CB -0.195 29.639 30.300 -0.778 0.000 0.851 337 R HN 0.344 nan 8.270 nan 0.000 0.434 338 D N -0.804 119.545 120.400 -0.085 0.000 2.103 338 D HA -0.080 4.561 4.640 0.001 0.000 0.199 338 D C 1.781 178.040 176.300 -0.068 0.000 0.978 338 D CA 1.631 55.590 54.000 -0.068 0.000 0.829 338 D CB -0.391 40.374 40.800 -0.058 0.000 0.981 338 D HN 0.258 nan 8.370 nan 0.000 0.464 339 T N -0.623 113.888 114.554 -0.073 0.000 2.896 339 T HA -0.080 4.271 4.350 0.001 0.000 0.263 339 T C 0.441 174.898 174.700 -0.406 0.000 1.050 339 T CA 0.752 62.699 62.100 -0.255 0.000 1.140 339 T CB -0.058 68.623 68.868 -0.312 0.000 0.877 339 T HN 0.176 nan 8.240 nan 0.000 0.457 340 Y N 0.858 121.195 120.300 0.062 0.000 2.473 340 Y HA 0.283 4.834 4.550 0.001 0.000 0.345 340 Y C -1.788 174.176 175.900 0.107 0.000 0.932 340 Y CA -2.660 55.496 58.100 0.093 0.000 1.124 340 Y CB 0.830 39.373 38.460 0.138 0.000 1.162 340 Y HN 0.061 nan 8.280 nan 0.000 0.629 341 P HA -0.296 nan 4.420 nan 0.000 0.216 341 P C 1.257 178.656 177.300 0.166 0.000 1.157 341 P CA 1.802 64.971 63.100 0.116 0.000 0.880 341 P CB 0.639 32.366 31.700 0.044 0.000 0.791 342 E N -0.572 119.720 120.200 0.153 0.000 2.047 342 E HA -0.179 4.172 4.350 0.001 0.000 0.191 342 E C 2.173 178.865 176.600 0.153 0.000 0.987 342 E CA 0.867 57.348 56.400 0.136 0.000 0.799 342 E CB -0.091 29.679 29.700 0.118 0.000 0.752 342 E HN 0.112 nan 8.360 nan 0.000 0.449 343 E N 0.002 120.327 120.200 0.210 0.000 2.077 343 E HA -0.216 4.135 4.350 0.001 0.000 0.193 343 E C 1.839 178.445 176.600 0.009 0.000 0.989 343 E CA 0.947 57.459 56.400 0.186 0.000 0.800 343 E CB -0.570 29.275 29.700 0.241 0.000 0.746 343 E HN 0.420 nan 8.360 nan 0.000 0.452 344 Y N 1.340 121.639 120.300 -0.002 0.000 2.128 344 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 344 Y C 2.337 178.172 175.900 -0.109 0.000 1.154 344 Y CA 2.117 60.186 58.100 -0.050 0.000 1.149 344 Y CB -0.346 38.144 38.460 0.049 0.000 0.976 344 Y HN 0.041 nan 8.280 nan 0.000 0.505 345 A N 0.059 122.969 122.820 0.151 0.000 1.902 345 A HA -0.165 4.156 4.320 0.001 0.000 0.217 345 A C 2.268 179.814 177.584 -0.062 0.000 1.181 345 A CA 1.813 53.888 52.037 0.063 0.000 0.623 345 A CB -1.163 17.898 19.000 0.101 0.000 0.818 345 A HN 0.559 nan 8.150 nan 0.000 0.443 346 L N -1.149 120.036 121.223 -0.063 0.000 2.012 346 L HA -0.207 4.133 4.340 0.001 0.000 0.210 346 L C 2.805 179.544 176.870 -0.217 0.000 1.073 346 L CA 1.918 56.729 54.840 -0.047 0.000 0.748 346 L CB -0.444 41.680 42.059 0.108 0.000 0.891 346 L HN 0.446 nan 8.230 nan 0.000 0.431 347 R N 0.232 120.317 120.500 -0.692 0.000 2.073 347 R HA -0.189 4.152 4.340 0.001 0.000 0.234 347 R C 2.200 178.257 176.300 -0.405 0.000 1.134 347 R CA 1.568 57.112 56.100 -0.927 0.000 0.952 347 R CB -0.110 29.336 30.300 -1.422 0.000 0.850 347 R HN 0.358 nan 8.270 nan 0.000 0.433 348 E N 0.090 120.071 120.200 -0.364 0.000 2.160 348 E HA -0.273 4.078 4.350 0.001 0.000 0.195 348 E C 1.969 178.529 176.600 -0.068 0.000 0.991 348 E CA 1.652 57.929 56.400 -0.204 0.000 0.810 348 E CB 0.036 29.614 29.700 -0.203 0.000 0.742 348 E HN 0.580 nan 8.360 nan 0.000 0.466 349 Q N 0.032 119.796 119.800 -0.060 0.000 2.389 349 Q HA -0.074 4.267 4.340 0.001 0.000 0.204 349 Q C 0.227 176.254 176.000 0.045 0.000 0.944 349 Q CA 0.965 56.768 55.803 -0.000 0.000 0.908 349 Q CB 0.522 29.263 28.738 0.005 0.000 1.002 349 Q HN -0.111 nan 8.270 nan 0.000 0.493 350 D N 0.253 120.685 120.400 0.053 0.000 2.978 350 D HA 0.141 4.782 4.640 0.001 0.000 0.268 350 D C -0.116 176.261 176.300 0.128 0.000 1.252 350 D CA -0.183 53.899 54.000 0.136 0.000 0.771 350 D CB 0.525 41.428 40.800 0.171 0.000 1.361 350 D HN 0.147 nan 8.370 nan 0.000 0.558 351 K N 0.161 120.593 120.400 0.053 0.000 2.211 351 K HA -0.198 4.123 4.320 0.001 0.000 0.204 351 K C 1.416 177.992 176.600 -0.040 0.000 1.047 351 K CA 1.031 57.280 56.287 -0.063 0.000 0.935 351 K CB 0.096 32.427 32.500 -0.281 0.000 0.728 351 K HN 0.328 nan 8.250 nan 0.000 0.452 352 Y N -0.422 119.781 120.300 -0.162 0.000 2.206 352 Y HA -0.177 4.374 4.550 0.001 0.000 0.292 352 Y C 1.376 177.145 175.900 -0.218 0.000 1.123 352 Y CA 1.517 59.456 58.100 -0.269 0.000 1.142 352 Y CB -0.089 38.104 38.460 -0.445 0.000 1.006 352 Y HN 0.044 nan 8.280 nan 0.000 0.518 353 Y N -1.684 118.673 120.300 0.095 0.000 2.420 353 Y HA -0.075 4.476 4.550 0.001 0.000 0.292 353 Y C 0.609 176.476 175.900 -0.055 0.000 1.119 353 Y CA 0.416 58.506 58.100 -0.016 0.000 1.229 353 Y CB -0.689 37.813 38.460 0.071 0.000 1.026 353 Y HN 0.070 nan 8.280 nan 0.000 0.554 354 Y N 3.027 123.338 120.300 0.018 0.000 2.810 354 Y HA -0.027 4.524 4.550 0.001 0.000 0.332 354 Y C 0.523 176.335 175.900 -0.146 0.000 1.243 354 Y CA -0.439 57.612 58.100 -0.081 0.000 1.537 354 Y CB 0.246 38.619 38.460 -0.145 0.000 1.265 354 Y HN 0.009 nan 8.280 nan 0.000 0.572 355 R N 6.219 126.146 120.500 -0.956 0.000 2.494 355 R HA 0.299 4.640 4.340 0.001 0.000 0.305 355 R C -1.496 174.198 176.300 -1.009 0.000 0.959 355 R CA -0.666 55.010 56.100 -0.708 0.000 0.864 355 R CB 0.644 30.714 30.300 -0.382 0.000 1.159 355 R HN 0.788 nan 8.270 nan 0.000 0.446 356 Y N 4.335 124.358 120.300 -0.461 0.000 2.578 356 Y HA 0.101 4.651 4.550 0.001 0.000 0.339 356 Y C -1.629 174.129 175.900 -0.237 0.000 1.231 356 Y CA -1.352 56.620 58.100 -0.213 0.000 1.461 356 Y CB 0.596 39.030 38.460 -0.044 0.000 1.323 356 Y HN 0.502 nan 8.280 nan 0.000 0.590 357 P HA -0.032 nan 4.420 nan 0.000 0.266 357 P C 0.219 177.503 177.300 -0.026 0.000 1.215 357 P CA 1.054 64.126 63.100 -0.047 0.000 0.763 357 P CB 0.320 31.992 31.700 -0.046 0.000 0.806 358 T N -0.035 114.502 114.554 -0.028 0.000 4.543 358 T HA -0.160 4.191 4.350 0.001 0.000 0.313 358 T C 0.542 175.225 174.700 -0.028 0.000 1.051 358 T CA 0.992 63.081 62.100 -0.017 0.000 2.160 358 T CB -2.226 66.638 68.868 -0.007 0.000 1.904 358 T HN 0.628 nan 8.240 nan 0.000 0.924 359 G N -0.540 108.245 108.800 -0.024 0.000 3.247 359 G HA2 0.716 4.677 3.960 0.001 0.000 0.199 359 G HA3 0.716 4.677 3.960 0.001 0.000 0.199 359 G C -1.131 173.755 174.900 -0.023 0.000 1.172 359 G CA -0.616 44.474 45.100 -0.016 0.000 0.844 359 G HN 0.566 nan 8.290 nan 0.000 0.619 360 E N -1.010 119.197 120.200 0.011 0.000 2.339 360 E HA 0.585 4.936 4.350 0.001 0.000 0.262 360 E C -0.608 175.959 176.600 -0.054 0.000 0.934 360 E CA -0.755 55.617 56.400 -0.047 0.000 0.802 360 E CB 2.214 31.867 29.700 -0.078 0.000 1.275 360 E HN 0.572 nan 8.360 nan 0.000 0.427 361 S N -0.672 114.942 115.700 -0.143 0.000 2.715 361 S HA 0.293 4.763 4.470 0.001 0.000 0.307 361 S C 0.218 174.656 174.600 -0.270 0.000 1.119 361 S CA -0.586 57.509 58.200 -0.175 0.000 0.937 361 S CB 0.405 63.475 63.200 -0.217 0.000 1.150 361 S HN 0.547 nan 8.310 nan 0.000 0.521 362 Y N 0.542 120.599 120.300 -0.405 0.000 2.293 362 Y HA -0.079 4.472 4.550 0.001 0.000 0.291 362 Y C 2.944 178.454 175.900 -0.650 0.000 1.137 362 Y CA 1.844 59.675 58.100 -0.449 0.000 1.202 362 Y CB -0.328 37.859 38.460 -0.454 0.000 0.990 362 Y HN 0.847 nan 8.280 nan 0.000 0.537 363 Q N 0.391 119.678 119.800 -0.855 0.000 2.061 363 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 363 Q C 1.406 177.218 176.000 -0.313 0.000 0.984 363 Q CA 2.047 57.459 55.803 -0.652 0.000 0.846 363 Q CB -0.063 28.377 28.738 -0.498 0.000 0.902 363 Q HN 0.394 nan 8.270 nan 0.000 0.421 364 D N 0.469 120.718 120.400 -0.252 0.000 2.144 364 D HA -0.154 4.487 4.640 0.001 0.000 0.199 364 D C 1.993 178.201 176.300 -0.153 0.000 0.984 364 D CA 0.756 54.656 54.000 -0.166 0.000 0.834 364 D CB -0.197 40.521 40.800 -0.137 0.000 0.955 364 D HN 0.311 nan 8.370 nan 0.000 0.465 365 L N 0.543 121.657 121.223 -0.182 0.000 2.012 365 L HA -0.188 4.152 4.340 0.001 0.000 0.210 365 L C 2.524 179.339 176.870 -0.092 0.000 1.073 365 L CA 0.868 55.632 54.840 -0.126 0.000 0.748 365 L CB -0.274 41.688 42.059 -0.161 0.000 0.891 365 L HN -0.046 nan 8.230 nan 0.000 0.431 366 V N -0.596 119.206 119.914 -0.188 0.000 2.282 366 V HA -0.335 3.786 4.120 0.001 0.000 0.249 366 V C 2.564 178.466 176.094 -0.320 0.000 1.057 366 V CA 1.694 63.755 62.300 -0.398 0.000 1.032 366 V CB -0.610 30.792 31.823 -0.702 0.000 0.645 366 V HN 0.518 nan 8.190 nan 0.000 0.447 367 Q N -0.382 119.286 119.800 -0.220 0.000 2.084 367 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 367 Q C 2.399 178.386 176.000 -0.022 0.000 0.978 367 Q CA 1.452 57.184 55.803 -0.118 0.000 0.844 367 Q CB -0.482 28.201 28.738 -0.092 0.000 0.898 367 Q HN 0.546 nan 8.270 nan 0.000 0.426 368 R N 0.305 120.796 120.500 -0.015 0.000 2.096 368 R HA -0.030 4.311 4.340 0.001 0.000 0.235 368 R C 2.102 178.465 176.300 0.104 0.000 1.127 368 R CA 0.748 56.872 56.100 0.040 0.000 0.968 368 R CB -0.075 30.237 30.300 0.020 0.000 0.861 368 R HN 0.235 nan 8.270 nan 0.000 0.440 369 L N 0.002 121.305 121.223 0.133 0.000 2.558 369 L HA 0.016 4.357 4.340 0.001 0.000 0.225 369 L C 1.789 178.838 176.870 0.298 0.000 1.128 369 L CA 0.262 55.238 54.840 0.226 0.000 0.868 369 L CB -0.075 42.176 42.059 0.319 0.000 1.006 369 L HN 0.150 nan 8.230 nan 0.000 0.454 370 E N 0.733 121.106 120.200 0.289 0.000 2.086 370 E HA -0.243 4.108 4.350 0.001 0.000 0.200 370 E C -0.604 176.157 176.600 0.269 0.000 1.012 370 E CA 1.637 58.245 56.400 0.346 0.000 0.812 370 E CB -0.786 29.075 29.700 0.268 0.000 0.743 370 E HN 0.439 nan 8.360 nan 0.000 0.453 371 P HA -0.124 nan 4.420 nan 0.000 0.218 371 P C 1.342 178.761 177.300 0.198 0.000 1.149 371 P CA 0.888 64.143 63.100 0.260 0.000 0.817 371 P CB 0.132 32.007 31.700 0.292 0.000 0.785 372 V N -0.200 119.758 119.914 0.072 0.000 2.307 372 V HA -0.205 3.916 4.120 0.001 0.000 0.245 372 V C 2.322 178.412 176.094 -0.007 0.000 1.045 372 V CA 1.493 63.686 62.300 -0.178 0.000 1.024 372 V CB -1.017 30.683 31.823 -0.205 0.000 0.651 372 V HN 0.038 nan 8.190 nan 0.000 0.449 373 I N -0.539 120.001 120.570 -0.050 0.000 2.163 373 I HA -0.265 3.906 4.170 0.001 0.000 0.243 373 I C 2.386 178.461 176.117 -0.070 0.000 1.085 373 I CA 2.031 63.190 61.300 -0.235 0.000 1.347 373 I CB -0.948 36.639 38.000 -0.689 0.000 1.044 373 I HN 0.373 nan 8.210 nan 0.000 0.408 374 M N 0.893 120.513 119.600 0.032 0.000 2.117 374 M HA -0.220 4.261 4.480 0.001 0.000 0.262 374 M C 2.061 178.409 176.300 0.081 0.000 1.065 374 M CA 1.799 57.111 55.300 0.020 0.000 1.114 374 M CB -0.407 32.217 32.600 0.040 0.000 1.361 374 M HN 0.094 nan 8.290 nan 0.000 0.408 375 E N -0.162 120.155 120.200 0.195 0.000 2.107 375 E HA -0.102 4.249 4.350 0.001 0.000 0.191 375 E C 1.893 178.725 176.600 0.387 0.000 0.982 375 E CA 1.307 57.904 56.400 0.329 0.000 0.809 375 E CB -0.504 29.475 29.700 0.465 0.000 0.756 375 E HN 0.622 nan 8.360 nan 0.000 0.459 376 L N 0.645 122.071 121.223 0.337 0.000 2.079 376 L HA -0.173 4.168 4.340 0.001 0.000 0.210 376 L C 2.292 179.267 176.870 0.175 0.000 1.081 376 L CA 1.270 56.234 54.840 0.208 0.000 0.752 376 L CB -0.397 41.782 42.059 0.200 0.000 0.896 376 L HN 0.176 nan 8.230 nan 0.000 0.433 377 E N 0.146 120.431 120.200 0.142 0.000 2.110 377 E HA -0.187 4.164 4.350 0.001 0.000 0.193 377 E C 2.243 178.941 176.600 0.165 0.000 0.988 377 E CA 1.023 57.473 56.400 0.084 0.000 0.804 377 E CB -0.114 29.553 29.700 -0.055 0.000 0.745 377 E HN 0.495 nan 8.360 nan 0.000 0.458 378 R N 0.320 120.929 120.500 0.183 0.000 2.189 378 R HA 0.001 4.342 4.340 0.001 0.000 0.218 378 R C 1.203 177.634 176.300 0.219 0.000 1.074 378 R CA 0.404 56.630 56.100 0.211 0.000 0.991 378 R CB 0.135 30.530 30.300 0.158 0.000 0.883 378 R HN 0.167 nan 8.270 nan 0.000 0.457 379 Q N 0.354 120.291 119.800 0.229 0.000 2.414 379 Q HA 0.081 4.422 4.340 0.001 0.000 0.206 379 Q C 0.551 176.644 176.000 0.155 0.000 1.058 379 Q CA 0.435 56.332 55.803 0.157 0.000 1.025 379 Q CB 0.841 29.631 28.738 0.087 0.000 1.196 379 Q HN 0.185 nan 8.270 nan 0.000 0.586 380 E N 0.268 120.509 120.200 0.068 0.000 3.770 380 E HA 0.171 4.522 4.350 0.001 0.000 0.331 380 E C -0.377 176.229 176.600 0.009 0.000 0.714 380 E CA -0.543 55.895 56.400 0.063 0.000 1.547 380 E CB 0.233 29.949 29.700 0.027 0.000 2.420 380 E HN 0.415 nan 8.360 nan 0.000 0.501 381 N N 1.472 120.173 118.700 0.002 0.000 2.458 381 N HA 0.220 4.961 4.740 0.001 0.000 0.270 381 N C -0.901 174.586 175.510 -0.038 0.000 1.102 381 N CA 0.207 53.258 53.050 0.002 0.000 0.967 381 N CB 1.549 40.066 38.487 0.050 0.000 1.078 381 N HN -0.003 nan 8.380 nan 0.000 0.471 382 V N 2.056 121.924 119.914 -0.077 0.000 2.888 382 V HA 0.404 4.525 4.120 0.001 0.000 0.309 382 V C -0.694 175.350 176.094 -0.083 0.000 1.114 382 V CA -0.988 61.182 62.300 -0.216 0.000 0.940 382 V CB 2.332 33.831 31.823 -0.541 0.000 1.021 382 V HN 0.437 nan 8.190 nan 0.000 0.426 383 L N 4.769 125.936 121.223 -0.093 0.000 2.349 383 L HA 0.817 5.158 4.340 0.001 0.000 0.278 383 L C -0.902 175.952 176.870 -0.027 0.000 0.996 383 L CA -0.114 54.741 54.840 0.025 0.000 0.825 383 L CB 1.828 43.898 42.059 0.017 0.000 1.243 383 L HN 0.441 nan 8.230 nan 0.000 0.412 384 V N 6.901 126.824 119.914 0.014 0.000 2.347 384 V HA 0.438 4.559 4.120 0.001 0.000 0.280 384 V C 0.174 176.336 176.094 0.114 0.000 1.021 384 V CA -0.312 62.036 62.300 0.080 0.000 0.847 384 V CB 1.294 33.160 31.823 0.072 0.000 0.990 384 V HN 0.635 nan 8.190 nan 0.000 0.444 385 I N 6.035 126.688 120.570 0.139 0.000 2.306 385 I HA 0.424 4.594 4.170 0.001 0.000 0.288 385 I C 0.584 176.754 176.117 0.087 0.000 1.036 385 I CA -0.131 61.232 61.300 0.105 0.000 1.221 385 I CB 0.558 38.611 38.000 0.089 0.000 1.385 385 I HN 0.878 nan 8.210 nan 0.000 0.472 386 C N 3.947 123.270 119.300 0.039 0.000 4.334 386 C HA 0.641 5.102 4.460 0.001 0.000 0.217 386 C C 0.001 174.864 174.990 -0.212 0.000 3.698 386 C CA -0.608 58.422 59.018 0.019 0.000 1.802 386 C CB 1.533 29.387 27.740 0.189 0.000 4.505 386 C HN 0.617 nan 8.230 nan 0.000 0.490 387 H N -0.403 118.764 119.070 0.162 0.000 2.946 387 H HA 0.333 4.890 4.556 0.001 0.000 0.365 387 H C 0.293 175.685 175.328 0.107 0.000 1.197 387 H CA -0.086 56.063 56.048 0.169 0.000 1.131 387 H CB 1.742 31.623 29.762 0.198 0.000 1.849 387 H HN 0.768 nan 8.280 nan 0.000 0.555 388 Q N 1.237 121.171 119.800 0.224 0.000 1.998 388 Q HA -0.221 4.120 4.340 0.001 0.000 0.209 388 Q C 1.975 178.091 176.000 0.193 0.000 1.002 388 Q CA 2.624 58.529 55.803 0.169 0.000 0.858 388 Q CB -0.167 28.670 28.738 0.166 0.000 0.932 388 Q HN 0.753 nan 8.270 nan 0.000 0.416 389 A N -0.435 122.486 122.820 0.168 0.000 1.902 389 A HA -0.127 4.194 4.320 0.001 0.000 0.217 389 A C 2.240 179.901 177.584 0.129 0.000 1.181 389 A CA 1.542 53.650 52.037 0.118 0.000 0.623 389 A CB -0.720 18.150 19.000 -0.216 0.000 0.818 389 A HN 0.344 nan 8.150 nan 0.000 0.443 390 V N -0.166 119.823 119.914 0.126 0.000 2.343 390 V HA -0.217 3.904 4.120 0.001 0.000 0.247 390 V C 2.478 178.697 176.094 0.209 0.000 1.051 390 V CA 1.904 64.301 62.300 0.161 0.000 1.036 390 V CB -0.732 31.206 31.823 0.192 0.000 0.654 390 V HN 0.583 nan 8.190 nan 0.000 0.451 391 L N 0.354 121.697 121.223 0.200 0.000 2.017 391 L HA -0.130 4.211 4.340 0.001 0.000 0.208 391 L C 2.545 179.544 176.870 0.216 0.000 1.073 391 L CA 1.872 56.824 54.840 0.187 0.000 0.745 391 L CB -1.028 41.113 42.059 0.137 0.000 0.894 391 L HN 0.217 nan 8.230 nan 0.000 0.432 392 R N -1.450 119.192 120.500 0.236 0.000 2.103 392 R HA -0.218 4.123 4.340 0.001 0.000 0.242 392 R C 2.355 178.842 176.300 0.311 0.000 1.142 392 R CA 1.879 58.134 56.100 0.258 0.000 0.960 392 R CB -0.951 29.529 30.300 0.300 0.000 0.858 392 R HN 0.454 nan 8.270 nan 0.000 0.439 393 C N 0.485 120.007 119.300 0.370 0.000 2.429 393 C HA -0.058 4.403 4.460 0.001 0.000 0.277 393 C C 2.584 177.870 174.990 0.495 0.000 1.262 393 C CA 0.544 59.850 59.018 0.479 0.000 1.733 393 C CB -0.886 27.116 27.740 0.438 0.000 2.010 393 C HN 0.435 nan 8.230 nan 0.000 0.483 394 L N -0.025 121.400 121.223 0.336 0.000 2.093 394 L HA -0.121 4.220 4.340 0.001 0.000 0.208 394 L C 2.526 179.567 176.870 0.285 0.000 1.085 394 L CA 0.876 55.855 54.840 0.232 0.000 0.755 394 L CB -0.715 41.506 42.059 0.271 0.000 0.904 394 L HN 0.280 nan 8.230 nan 0.000 0.435 395 L N 0.359 121.756 121.223 0.291 0.000 2.046 395 L HA -0.137 4.204 4.340 0.001 0.000 0.208 395 L C 2.676 179.665 176.870 0.198 0.000 1.077 395 L CA 1.878 56.875 54.840 0.261 0.000 0.747 395 L CB -0.654 41.515 42.059 0.185 0.000 0.896 395 L HN 0.160 nan 8.230 nan 0.000 0.432 396 A N -1.461 121.490 122.820 0.218 0.000 1.940 396 A HA -0.302 4.018 4.320 0.001 0.000 0.219 396 A C 2.263 179.908 177.584 0.102 0.000 1.176 396 A CA 1.928 54.089 52.037 0.207 0.000 0.631 396 A CB -1.097 18.106 19.000 0.338 0.000 0.814 396 A HN 0.643 nan 8.150 nan 0.000 0.446 397 Y N -0.698 119.431 120.300 -0.285 0.000 2.133 397 Y HA -0.155 4.396 4.550 0.002 0.000 0.287 397 Y C 1.923 177.510 175.900 -0.522 0.000 1.134 397 Y CA 1.807 59.420 58.100 -0.812 0.000 1.133 397 Y CB -0.587 36.844 38.460 -1.715 0.000 0.987 397 Y HN 0.258 nan 8.280 nan 0.000 0.502 398 F N -0.660 119.122 119.950 -0.280 0.000 2.216 398 F HA -0.172 4.356 4.527 0.001 0.000 0.300 398 F C 1.527 177.183 175.800 -0.240 0.000 1.085 398 F CA 0.621 58.438 58.000 -0.305 0.000 1.326 398 F CB -0.186 38.751 39.000 -0.104 0.000 1.027 398 F HN 0.091 nan 8.300 nan 0.000 0.497 399 L N -0.280 120.947 121.223 0.006 0.000 2.700 399 L HA 0.105 4.446 4.340 0.001 0.000 0.234 399 L C 0.157 176.999 176.870 -0.047 0.000 1.156 399 L CA 0.086 54.921 54.840 -0.009 0.000 0.946 399 L CB -1.344 40.734 42.059 0.032 0.000 1.216 399 L HN 0.067 nan 8.230 nan 0.000 0.493 400 D N 0.370 120.709 120.400 -0.103 0.000 2.689 400 D HA -0.213 4.428 4.640 0.001 0.000 0.237 400 D C 0.169 176.459 176.300 -0.017 0.000 1.148 400 D CA 0.626 54.580 54.000 -0.077 0.000 0.656 400 D CB -0.105 40.638 40.800 -0.096 0.000 1.050 400 D HN 0.001 nan 8.370 nan 0.000 0.426 401 K N 0.290 120.705 120.400 0.025 0.000 2.118 401 K HA 0.451 4.772 4.320 0.001 0.000 0.267 401 K C 0.803 177.421 176.600 0.030 0.000 0.991 401 K CA -0.475 55.831 56.287 0.031 0.000 0.916 401 K CB 1.303 33.837 32.500 0.056 0.000 1.041 401 K HN 0.319 nan 8.250 nan 0.000 0.455 402 S N 0.147 115.838 115.700 -0.014 0.000 2.608 402 S HA 0.232 4.703 4.470 0.001 0.000 0.261 402 S C 1.325 175.833 174.600 -0.154 0.000 1.314 402 S CA -0.025 58.133 58.200 -0.070 0.000 0.992 402 S CB 1.090 64.246 63.200 -0.074 0.000 0.935 402 S HN 0.558 nan 8.310 nan 0.000 0.564 403 A N 0.372 122.986 122.820 -0.344 0.000 1.933 403 A HA -0.103 4.218 4.320 0.001 0.000 0.218 403 A C 2.132 179.398 177.584 -0.531 0.000 1.175 403 A CA 1.697 53.251 52.037 -0.805 0.000 0.628 403 A CB -1.154 16.981 19.000 -1.442 0.000 0.814 403 A HN 1.007 nan 8.150 nan 0.000 0.444 404 E N 0.175 120.213 120.200 -0.270 0.000 2.110 404 E HA -0.225 4.125 4.350 0.001 0.000 0.193 404 E C 1.871 178.479 176.600 0.013 0.000 0.988 404 E CA 1.398 57.746 56.400 -0.087 0.000 0.804 404 E CB -0.092 29.589 29.700 -0.033 0.000 0.745 404 E HN 0.895 nan 8.360 nan 0.000 0.458 405 E N 0.006 120.202 120.200 -0.007 0.000 2.400 405 E HA -0.091 4.260 4.350 0.001 0.000 0.195 405 E C 2.183 178.818 176.600 0.058 0.000 1.012 405 E CA 0.043 56.486 56.400 0.071 0.000 0.875 405 E CB -0.329 29.395 29.700 0.040 0.000 0.859 405 E HN 0.249 nan 8.360 nan 0.000 0.498 406 M N 2.408 121.997 119.600 -0.018 0.000 2.088 406 M HA -0.102 4.379 4.480 0.001 0.000 0.256 406 M C -0.752 175.452 176.300 -0.161 0.000 1.071 406 M CA 2.112 57.406 55.300 -0.009 0.000 1.097 406 M CB -0.815 31.823 32.600 0.062 0.000 1.315 406 M HN -0.006 nan 8.290 nan 0.000 0.406 407 P HA -0.125 nan 4.420 nan 0.000 0.231 407 P C 0.026 176.884 177.300 -0.737 0.000 1.158 407 P CA 1.426 63.897 63.100 -1.048 0.000 0.763 407 P CB -0.384 30.412 31.700 -1.506 0.000 0.805 408 Y N -1.314 118.916 120.300 -0.116 0.000 2.500 408 Y HA 0.255 4.806 4.550 0.001 0.000 0.246 408 Y C 1.436 177.428 175.900 0.153 0.000 1.146 408 Y CA -0.657 57.441 58.100 -0.004 0.000 1.230 408 Y CB -0.008 38.439 38.460 -0.022 0.000 1.214 408 Y HN -0.228 nan 8.280 nan 0.000 0.526 409 L N 1.546 122.886 121.223 0.195 0.000 2.506 409 L HA 0.004 4.345 4.340 0.001 0.000 0.281 409 L C 0.428 177.417 176.870 0.199 0.000 1.228 409 L CA 0.306 55.245 54.840 0.166 0.000 0.850 409 L CB 0.470 42.603 42.059 0.124 0.000 1.110 409 L HN 0.074 nan 8.230 nan 0.000 0.496 410 K N 1.778 122.216 120.400 0.064 0.000 2.262 410 K HA 0.311 4.632 4.320 0.001 0.000 0.282 410 K C -1.240 175.360 176.600 -0.000 0.000 1.066 410 K CA -0.404 55.846 56.287 -0.062 0.000 0.901 410 K CB 0.498 32.816 32.500 -0.303 0.000 1.089 410 K HN 0.580 nan 8.250 nan 0.000 0.476 411 C N 7.048 126.381 119.300 0.055 0.000 3.188 411 C HA 0.315 4.776 4.460 0.001 0.000 0.230 411 C C -2.210 172.776 174.990 -0.007 0.000 1.239 411 C CA -1.621 57.416 59.018 0.031 0.000 1.494 411 C CB -0.191 27.594 27.740 0.075 0.000 1.798 411 C HN 0.712 nan 8.230 nan 0.000 0.458 412 P HA 0.217 nan 4.420 nan 0.000 0.274 412 P C -0.137 177.070 177.300 -0.156 0.000 1.237 412 P CA 0.014 63.052 63.100 -0.103 0.000 0.793 412 P CB 1.095 32.709 31.700 -0.143 0.000 0.977 413 L N 1.967 123.050 121.223 -0.234 0.000 2.482 413 L HA -0.024 4.317 4.340 0.001 0.000 0.273 413 L C 1.172 177.820 176.870 -0.370 0.000 1.228 413 L CA 0.104 54.695 54.840 -0.415 0.000 0.827 413 L CB -0.644 41.054 42.059 -0.601 0.000 1.099 413 L HN 0.588 nan 8.230 nan 0.000 0.494 414 H N -0.937 117.696 119.070 -0.728 0.000 2.884 414 H HA -0.149 4.408 4.556 0.001 0.000 0.289 414 H C -0.359 174.848 175.328 -0.202 0.000 1.142 414 H CA 0.895 56.379 56.048 -0.941 0.000 1.158 414 H CB -2.302 27.259 29.762 -0.335 0.000 1.325 414 H HN 0.550 nan 8.280 nan 0.000 0.366 415 T N 0.413 114.949 114.554 -0.030 0.000 2.840 415 T HA 0.539 4.890 4.350 0.001 0.000 0.287 415 T C 0.441 175.163 174.700 0.037 0.000 0.991 415 T CA -0.633 61.522 62.100 0.090 0.000 0.964 415 T CB 2.490 71.395 68.868 0.062 0.000 0.954 415 T HN 0.014 nan 8.240 nan 0.000 0.438 416 V N 4.755 124.670 119.914 0.001 0.000 2.546 416 V HA 0.383 4.504 4.120 0.001 0.000 0.284 416 V C 0.036 176.140 176.094 0.016 0.000 1.050 416 V CA -0.682 61.611 62.300 -0.010 0.000 0.981 416 V CB 0.949 32.649 31.823 -0.205 0.000 0.990 416 V HN 0.712 nan 8.190 nan 0.000 0.474 417 L N 5.186 126.440 121.223 0.051 0.000 2.280 417 L HA 0.512 4.853 4.340 0.001 0.000 0.287 417 L C 0.088 176.966 176.870 0.014 0.000 1.023 417 L CA -0.344 54.509 54.840 0.022 0.000 0.819 417 L CB 1.215 43.280 42.059 0.010 0.000 1.212 417 L HN 0.599 nan 8.230 nan 0.000 0.420 418 K N 5.170 125.568 120.400 -0.003 0.000 2.263 418 K HA 0.573 4.894 4.320 0.001 0.000 0.272 418 K C -1.197 175.286 176.600 -0.195 0.000 1.033 418 K CA -0.500 55.718 56.287 -0.116 0.000 0.884 418 K CB 0.845 33.353 32.500 0.013 0.000 1.107 418 K HN 0.540 nan 8.250 nan 0.000 0.460 419 L N 4.056 125.089 121.223 -0.317 0.000 2.307 419 L HA 0.471 4.812 4.340 0.001 0.000 0.284 419 L C -0.146 176.550 176.870 -0.290 0.000 1.023 419 L CA -0.727 53.941 54.840 -0.287 0.000 0.810 419 L CB 1.897 43.718 42.059 -0.397 0.000 1.231 419 L HN 0.769 nan 8.230 nan 0.000 0.423 420 T N -0.088 114.351 114.554 -0.191 0.000 2.909 420 T HA 0.549 4.900 4.350 0.001 0.000 0.299 420 T C -2.913 171.727 174.700 -0.100 0.000 1.073 420 T CA -2.139 59.868 62.100 -0.154 0.000 0.999 420 T CB 2.137 70.929 68.868 -0.126 0.000 1.098 420 T HN 0.283 nan 8.240 nan 0.000 0.477 421 P HA 0.334 nan 4.420 nan 0.000 0.271 421 P C -0.802 176.477 177.300 -0.035 0.000 1.226 421 P CA -0.295 62.784 63.100 -0.035 0.000 0.765 421 P CB 1.213 32.904 31.700 -0.015 0.000 0.835 422 V N 3.287 123.185 119.914 -0.026 0.000 2.567 422 V HA 0.554 4.675 4.120 0.001 0.000 0.298 422 V C 0.452 176.518 176.094 -0.047 0.000 1.047 422 V CA 0.517 62.791 62.300 -0.042 0.000 0.880 422 V CB 0.745 32.542 31.823 -0.043 0.000 1.009 422 V HN 0.974 nan 8.190 nan 0.000 0.429 423 A N 6.155 128.916 122.820 -0.097 0.000 5.150 423 A HA -0.334 3.987 4.320 0.001 0.000 0.324 423 A C 0.778 178.272 177.584 -0.151 0.000 1.862 423 A CA 2.274 54.181 52.037 -0.217 0.000 0.710 423 A CB -1.980 16.887 19.000 -0.223 0.000 1.367 423 A HN 1.568 nan 8.150 nan 0.000 0.380 424 Y N 1.169 121.494 120.300 0.043 0.000 2.468 424 Y HA 0.460 5.011 4.550 0.002 0.000 0.268 424 Y C 1.628 177.466 175.900 -0.104 0.000 1.177 424 Y CA 0.375 58.474 58.100 -0.001 0.000 1.265 424 Y CB 0.268 38.710 38.460 -0.030 0.000 1.103 424 Y HN 0.975 nan 8.280 nan 0.000 0.522 425 G N -1.306 107.526 108.800 0.053 0.000 2.871 425 G HA2 0.415 4.376 3.960 0.001 0.000 0.282 425 G HA3 0.415 4.376 3.960 0.001 0.000 0.282 425 G C -1.810 173.082 174.900 -0.014 0.000 1.212 425 G CA -0.490 44.602 45.100 -0.013 0.000 0.812 425 G HN -0.034 nan 8.290 nan 0.000 0.547 426 C N 0.250 119.537 119.300 -0.022 0.000 2.455 426 C HA 0.788 5.249 4.460 0.001 0.000 0.320 426 C C 0.385 175.354 174.990 -0.035 0.000 1.226 426 C CA -0.678 58.324 59.018 -0.028 0.000 1.569 426 C CB 0.999 28.735 27.740 -0.007 0.000 2.200 426 C HN 0.728 nan 8.230 nan 0.000 0.491 427 R N 1.881 122.350 120.500 -0.051 0.000 2.368 427 R HA 0.703 5.044 4.340 0.001 0.000 0.302 427 R C -1.226 175.038 176.300 -0.060 0.000 1.002 427 R CA -0.180 55.892 56.100 -0.047 0.000 0.929 427 R CB 1.261 31.533 30.300 -0.047 0.000 1.073 427 R HN 0.614 nan 8.270 nan 0.000 0.464 428 V N 4.207 124.095 119.914 -0.044 0.000 2.448 428 V HA 0.384 4.505 4.120 0.001 0.000 0.295 428 V C -1.124 174.953 176.094 -0.029 0.000 1.025 428 V CA -0.473 61.800 62.300 -0.045 0.000 0.859 428 V CB 1.793 33.599 31.823 -0.028 0.000 0.988 428 V HN 0.910 nan 8.190 nan 0.000 0.431 429 E N 4.069 124.254 120.200 -0.025 0.000 2.176 429 E HA 0.429 4.780 4.350 0.001 0.000 0.267 429 E C -1.017 175.591 176.600 0.013 0.000 0.893 429 E CA -0.399 56.002 56.400 0.002 0.000 0.761 429 E CB 2.045 31.757 29.700 0.021 0.000 1.133 429 E HN 0.615 nan 8.360 nan 0.000 0.409 430 S N 3.009 118.717 115.700 0.012 0.000 2.499 430 S HA 0.469 4.940 4.470 0.001 0.000 0.279 430 S C -0.640 173.975 174.600 0.025 0.000 1.219 430 S CA -0.520 57.687 58.200 0.012 0.000 1.062 430 S CB 0.124 63.323 63.200 -0.002 0.000 0.978 430 S HN 0.376 nan 8.310 nan 0.000 0.489 431 I N 5.858 126.429 120.570 0.002 0.000 2.448 431 I HA 0.284 4.455 4.170 0.001 0.000 0.281 431 I C -0.940 175.172 176.117 -0.009 0.000 1.027 431 I CA -0.600 60.684 61.300 -0.027 0.000 1.111 431 I CB 1.250 39.158 38.000 -0.154 0.000 1.236 431 I HN 0.615 nan 8.210 nan 0.000 0.452 432 Y N 6.503 126.761 120.300 -0.069 0.000 2.336 432 Y HA 0.397 4.947 4.550 0.001 0.000 0.335 432 Y C 0.452 176.342 175.900 -0.017 0.000 1.046 432 Y CA -0.772 57.307 58.100 -0.035 0.000 1.198 432 Y CB 0.969 39.420 38.460 -0.016 0.000 1.182 432 Y HN 0.495 nan 8.280 nan 0.000 0.502 433 L N 5.522 126.569 121.223 -0.293 0.000 2.672 433 L HA 0.030 4.370 4.340 0.001 0.000 0.236 433 L C 0.640 177.219 176.870 -0.486 0.000 1.186 433 L CA 0.190 54.855 54.840 -0.292 0.000 0.977 433 L CB -0.954 41.077 42.059 -0.047 0.000 1.203 433 L HN 0.822 nan 8.230 nan 0.000 0.448 434 N N 0.812 118.879 118.700 -1.055 0.000 2.725 434 N HA -0.183 4.558 4.740 0.001 0.000 0.251 434 N C -1.164 174.130 175.510 -0.361 0.000 1.031 434 N CA 0.383 52.999 53.050 -0.724 0.000 0.720 434 N CB -0.799 37.521 38.487 -0.277 0.000 0.930 434 N HN 0.123 nan 8.380 nan 0.000 0.543 435 V N 0.799 120.521 119.914 -0.319 0.000 2.525 435 V HA 0.317 4.438 4.120 0.001 0.000 0.299 435 V C 0.338 176.596 176.094 0.274 0.000 1.034 435 V CA -1.080 61.212 62.300 -0.013 0.000 0.863 435 V CB 1.858 33.621 31.823 -0.100 0.000 0.999 435 V HN 0.133 nan 8.190 nan 0.000 0.423 436 E N 2.564 122.906 120.200 0.237 0.000 2.438 436 E HA 0.428 4.779 4.350 0.001 0.000 0.261 436 E C 0.244 177.004 176.600 0.266 0.000 1.103 436 E CA 0.284 56.834 56.400 0.251 0.000 0.959 436 E CB 1.371 31.161 29.700 0.150 0.000 0.958 436 E HN 0.972 nan 8.360 nan 0.000 0.447 437 S N -1.417 114.356 115.700 0.121 0.000 2.643 437 S HA 0.371 4.842 4.470 0.001 0.000 0.266 437 S C -0.196 174.389 174.600 -0.024 0.000 1.130 437 S CA -0.434 57.762 58.200 -0.006 0.000 0.817 437 S CB 0.150 63.133 63.200 -0.361 0.000 1.107 437 S HN 0.325 nan 8.310 nan 0.000 0.471 438 V N -1.404 118.491 119.914 -0.032 0.000 3.641 438 V HA 0.746 4.867 4.120 0.001 0.000 0.286 438 V C 0.684 176.754 176.094 -0.039 0.000 1.027 438 V CA -0.313 61.981 62.300 -0.010 0.000 1.032 438 V CB 0.597 32.431 31.823 0.018 0.000 1.238 438 V HN 1.424 nan 8.190 nan 0.000 0.439 439 C N 1.463 120.757 119.300 -0.011 0.000 2.340 439 C HA 0.697 5.158 4.460 0.001 0.000 0.323 439 C C 1.351 176.361 174.990 0.033 0.000 1.260 439 C CA 0.396 59.410 59.018 -0.008 0.000 1.464 439 C CB 0.316 28.053 27.740 -0.005 0.000 2.156 439 C HN 1.177 nan 8.230 nan 0.000 0.476 440 T N 0.885 115.468 114.554 0.049 0.000 3.105 440 T HA 0.155 4.506 4.350 0.001 0.000 0.253 440 T C 0.565 175.313 174.700 0.081 0.000 1.047 440 T CA 0.250 62.401 62.100 0.086 0.000 0.944 440 T CB -0.543 68.390 68.868 0.109 0.000 1.016 440 T HN 0.850 nan 8.240 nan 0.000 0.544 441 H N 2.417 121.487 119.070 -0.001 0.000 2.683 441 H HA 0.347 4.903 4.556 0.002 0.000 0.339 441 H C -0.380 174.936 175.328 -0.019 0.000 1.081 441 H CA -0.090 55.957 56.048 -0.001 0.000 1.432 441 H CB 0.562 30.320 29.762 -0.007 0.000 1.462 441 H HN 0.317 nan 8.280 nan 0.000 0.557 442 R N 4.157 124.302 120.500 -0.592 0.000 2.500 442 R HA 0.184 4.525 4.340 0.001 0.000 0.299 442 R C -0.420 175.704 176.300 -0.293 0.000 1.038 442 R CA -0.957 54.942 56.100 -0.336 0.000 0.903 442 R CB 1.970 32.075 30.300 -0.325 0.000 1.177 442 R HN 0.617 nan 8.270 nan 0.000 0.455 443 E N 2.447 122.590 120.200 -0.095 0.000 2.410 443 E HA 0.082 4.433 4.350 0.001 0.000 0.255 443 E C 0.085 176.657 176.600 -0.047 0.000 1.194 443 E CA -0.282 56.114 56.400 -0.006 0.000 0.955 443 E CB 0.805 30.514 29.700 0.016 0.000 0.988 443 E HN 0.280 nan 8.360 nan 0.000 0.461 444 R N 0.952 121.305 120.500 -0.246 0.000 2.457 444 R HA 0.146 4.487 4.340 0.001 0.000 0.335 444 R C -0.109 176.113 176.300 -0.129 0.000 1.003 444 R CA 0.198 56.127 56.100 -0.286 0.000 1.003 444 R CB -0.106 29.873 30.300 -0.536 0.000 0.950 444 R HN 0.310 nan 8.270 nan 0.000 0.428 454 P HA -0.144 nan 4.420 nan 0.000 0.222 454 P C 1.564 178.865 177.300 0.002 0.000 1.147 454 P CA 1.589 64.691 63.100 0.002 0.000 0.958 454 P CB -0.078 31.623 31.700 0.002 0.000 0.788 455 L N -3.017 118.208 121.223 0.003 0.000 2.465 455 L HA -0.025 4.315 4.340 0.001 0.000 0.224 455 L C 2.019 178.891 176.870 0.004 0.000 1.145 455 L CA 0.697 55.539 54.840 0.003 0.000 0.834 455 L CB -0.496 41.565 42.059 0.004 0.000 0.944 455 L HN 0.031 nan 8.230 nan 0.000 0.451 456 M N 0.294 119.896 119.600 0.004 0.000 2.723 456 M HA 0.138 4.619 4.480 0.001 0.000 0.270 456 M C 0.045 176.347 176.300 0.003 0.000 1.282 456 M CA 0.163 55.465 55.300 0.004 0.000 0.995 456 M CB -0.042 32.561 32.600 0.005 0.000 1.430 456 M HN 0.111 nan 8.290 nan 0.000 0.477 457 R N -1.653 118.849 120.500 0.003 0.000 2.680 457 R HA 0.611 4.952 4.340 0.001 0.000 0.269 457 R C -1.062 175.239 176.300 0.002 0.000 1.026 457 R CA -1.056 55.045 56.100 0.002 0.000 0.889 457 R CB 1.235 31.536 30.300 0.002 0.000 1.241 457 R HN 0.046 nan 8.270 nan 0.000 0.463 458 R N 1.185 121.686 120.500 0.002 0.000 2.801 458 R HA 0.103 4.444 4.340 0.001 0.000 0.273 458 R C -0.529 175.772 176.300 0.001 0.000 1.080 458 R CA -0.230 55.871 56.100 0.001 0.000 1.197 458 R CB 0.012 30.312 30.300 0.001 0.000 1.109 458 R HN 0.875 nan 8.270 nan 0.000 0.535 459 N N 0.440 119.141 118.700 0.001 0.000 2.631 459 N HA -0.253 4.488 4.740 0.001 0.000 0.303 459 N C -0.801 174.709 175.510 0.000 0.000 1.241 459 N CA 1.255 54.305 53.050 0.000 0.000 0.725 459 N CB -0.453 38.034 38.487 0.000 0.000 0.989 459 N HN 0.738 nan 8.380 nan 0.000 0.548 732 S N 0.000 115.836 115.700 0.226 0.000 2.498 732 S HA 0.000 4.471 4.470 0.001 0.000 0.327 732 S CA 0.000 58.312 58.200 0.187 0.000 1.107 732 S CB 0.000 63.257 63.200 0.095 0.000 0.593 732 S HN 0.000 nan 8.310 nan 0.000 0.517