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 1q18_1_B DATA FIRST_RESID 2 DATA SEQUENCE TKYALVGDVG GTNARLALCD IASGEISQAK TYSGLDYPSL EAVIRVYLEE DATA SEQUENCE HKVEVKDGCI AIACPITGDW VAXTNHTWAF SIAEXKKNLG FSHLEIINDF DATA SEQUENCE TAVSXAIPXL KKEHLIQFGG AEPVEGKPIA VYGAGTGLGV AHLVHVDKRW DATA SEQUENCE VSLPGEGGHV DFAPNSEEEA IILEILRAEI GHVSAERVLS GPGLVNLYRA DATA SEQUENCE IVKADNRLPE NLKPKDITER ALADSCTDCR RALSLFCVIX GRFGGNLALN DATA SEQUENCE LGTFGGVFIA GGIVPRFLEF FKASGFRAAF EDKGRFKEYV HDIPVYLIVH DATA SEQUENCE DNPGLLGSGA HLRQTLGHIL 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.445 174.700 -0.426 0.000 1.109 2 T CA 0.000 61.990 62.100 -0.184 0.000 1.349 2 T CB 0.000 68.783 68.868 -0.142 0.000 0.612 3 K N 1.306 121.244 120.400 -0.769 0.000 2.545 3 K HA 0.493 4.814 4.320 0.001 0.000 0.287 3 K C -2.458 173.852 176.600 -0.484 0.000 1.074 3 K CA -0.425 55.597 56.287 -0.443 0.000 1.048 3 K CB 0.533 32.909 32.500 -0.206 0.000 1.384 3 K HN 0.774 nan 8.250 nan 0.000 0.440 4 Y N 1.606 121.890 120.300 -0.027 0.000 2.499 4 Y HA 0.830 5.380 4.550 0.001 0.000 0.347 4 Y C 0.217 176.089 175.900 -0.047 0.000 0.987 4 Y CA -1.004 57.077 58.100 -0.031 0.000 1.044 4 Y CB 2.605 41.056 38.460 -0.015 0.000 1.245 4 Y HN 0.632 nan 8.280 nan 0.000 0.461 5 A N 2.703 125.599 122.820 0.126 0.000 2.330 5 A HA 0.679 5.000 4.320 0.001 0.000 0.329 5 A C -1.442 176.188 177.584 0.078 0.000 1.135 5 A CA -0.873 51.188 52.037 0.040 0.000 0.817 5 A CB 1.201 20.200 19.000 -0.003 0.000 1.269 5 A HN 0.820 nan 8.150 nan 0.000 0.469 6 L N 2.296 123.568 121.223 0.081 0.000 2.331 6 L HA 0.527 4.867 4.340 0.001 0.000 0.278 6 L C -0.352 176.559 176.870 0.068 0.000 1.106 6 L CA -0.299 54.611 54.840 0.116 0.000 0.824 6 L CB 1.048 43.251 42.059 0.241 0.000 1.142 6 L HN 0.700 nan 8.230 nan 0.000 0.443 7 V N 1.550 121.466 119.914 0.003 0.000 3.113 7 V HA 1.054 5.175 4.120 0.001 0.000 0.316 7 V C -0.163 175.883 176.094 -0.080 0.000 1.125 7 V CA -0.422 61.867 62.300 -0.019 0.000 1.026 7 V CB 1.715 33.527 31.823 -0.018 0.000 1.080 7 V HN 0.855 nan 8.190 nan 0.000 0.444 8 G N 0.219 108.981 108.800 -0.063 0.000 2.755 8 G HA2 0.547 4.507 3.960 0.001 0.000 0.297 8 G HA3 0.547 4.507 3.960 0.001 0.000 0.297 8 G C -2.407 172.466 174.900 -0.044 0.000 1.441 8 G CA -0.341 44.714 45.100 -0.076 0.000 0.964 8 G HN 0.896 nan 8.290 nan 0.000 0.540 9 D N 0.944 121.321 120.400 -0.038 0.000 2.402 9 D HA 0.461 5.102 4.640 0.001 0.000 0.252 9 D C -0.763 175.537 176.300 0.001 0.000 1.294 9 D CA -0.188 53.796 54.000 -0.027 0.000 0.948 9 D CB 1.691 42.462 40.800 -0.048 0.000 1.202 9 D HN 0.230 nan 8.370 nan 0.000 0.561 10 V N 2.712 122.646 119.914 0.033 0.000 2.384 10 V HA 0.937 5.057 4.120 0.001 0.000 0.287 10 V C 0.715 176.838 176.094 0.049 0.000 1.020 10 V CA -0.478 61.865 62.300 0.073 0.000 0.850 10 V CB 1.501 33.422 31.823 0.164 0.000 0.987 10 V HN 0.615 nan 8.190 nan 0.000 0.436 11 G N 2.221 111.024 108.800 0.005 0.000 2.759 11 G HA2 0.633 4.594 3.960 0.001 0.000 0.297 11 G HA3 0.633 4.594 3.960 0.001 0.000 0.297 11 G C 0.135 174.996 174.900 -0.066 0.000 1.434 11 G CA 0.511 45.604 45.100 -0.012 0.000 0.980 11 G HN 1.256 nan 8.290 nan 0.000 0.531 12 G N 1.192 109.958 108.800 -0.056 0.000 2.629 12 G HA2 -0.269 3.691 3.960 0.001 0.000 0.313 12 G HA3 -0.269 3.691 3.960 0.001 0.000 0.313 12 G C 1.116 175.875 174.900 -0.235 0.000 1.217 12 G CA 1.264 46.305 45.100 -0.098 0.000 0.994 12 G HN 1.524 nan 8.290 nan 0.000 0.549 13 T N 1.968 116.326 114.554 -0.326 0.000 3.092 13 T HA 0.293 4.643 4.350 0.001 0.000 0.258 13 T C 0.377 174.796 174.700 -0.468 0.000 1.031 13 T CA 0.313 62.038 62.100 -0.626 0.000 0.925 13 T CB -0.221 68.365 68.868 -0.469 0.000 1.036 13 T HN 0.444 nan 8.240 nan 0.000 0.544 14 N N 1.716 120.264 118.700 -0.253 0.000 2.370 14 N HA 0.672 5.412 4.740 0.001 0.000 0.303 14 N C -0.969 174.520 175.510 -0.036 0.000 1.103 14 N CA -0.495 52.484 53.050 -0.118 0.000 0.848 14 N CB 1.709 40.155 38.487 -0.068 0.000 1.235 14 N HN 0.116 nan 8.380 nan 0.000 0.496 15 A N 1.375 124.246 122.820 0.084 0.000 2.363 15 A HA 0.492 4.813 4.320 0.001 0.000 0.296 15 A C -0.224 177.445 177.584 0.143 0.000 1.237 15 A CA -0.656 51.472 52.037 0.151 0.000 0.773 15 A CB 0.410 19.590 19.000 0.300 0.000 1.153 15 A HN 0.615 nan 8.150 nan 0.000 0.473 16 R N 2.974 123.506 120.500 0.053 0.000 2.255 16 R HA 0.680 5.021 4.340 0.001 0.000 0.326 16 R C -1.263 175.000 176.300 -0.061 0.000 0.986 16 R CA -0.173 55.934 56.100 0.012 0.000 0.847 16 R CB 0.363 30.650 30.300 -0.021 0.000 1.111 16 R HN 0.680 nan 8.270 nan 0.000 0.452 17 L N 3.210 124.346 121.223 -0.146 0.000 2.322 17 L HA 0.932 5.272 4.340 0.001 0.000 0.269 17 L C -0.303 176.262 176.870 -0.509 0.000 1.012 17 L CA -0.959 53.629 54.840 -0.422 0.000 0.815 17 L CB 2.071 43.661 42.059 -0.781 0.000 1.295 17 L HN 0.867 nan 8.230 nan 0.000 0.438 18 A N 1.343 123.885 122.820 -0.464 0.000 2.564 18 A HA 0.766 5.086 4.320 0.001 0.000 0.291 18 A C -1.762 175.780 177.584 -0.071 0.000 1.102 18 A CA -0.580 51.332 52.037 -0.208 0.000 0.660 18 A CB 1.217 20.159 19.000 -0.097 0.000 1.283 18 A HN 0.526 nan 8.150 nan 0.000 0.430 19 L N 0.133 121.348 121.223 -0.013 0.000 2.325 19 L HA 0.639 4.980 4.340 0.001 0.000 0.278 19 L C -0.449 176.456 176.870 0.057 0.000 1.023 19 L CA -0.669 54.172 54.840 0.001 0.000 0.811 19 L CB 1.669 43.610 42.059 -0.197 0.000 1.249 19 L HN 0.753 nan 8.230 nan 0.000 0.431 20 C N 2.388 121.762 119.300 0.124 0.000 2.369 20 C HA 0.341 4.802 4.460 0.001 0.000 0.322 20 C C -0.227 174.860 174.990 0.161 0.000 1.258 20 C CA -0.779 58.300 59.018 0.102 0.000 1.487 20 C CB 0.973 28.731 27.740 0.030 0.000 2.165 20 C HN 0.804 nan 8.230 nan 0.000 0.483 21 D N 4.346 124.823 120.400 0.128 0.000 2.339 21 D HA 0.129 4.769 4.640 0.001 0.000 0.256 21 D C 1.167 177.410 176.300 -0.094 0.000 1.214 21 D CA 0.153 54.152 54.000 -0.001 0.000 0.877 21 D CB 0.711 41.509 40.800 -0.003 0.000 1.111 21 D HN 0.666 nan 8.370 nan 0.000 0.478 22 I N 3.552 124.032 120.570 -0.150 0.000 2.208 22 I HA -0.303 3.868 4.170 0.001 0.000 0.245 22 I C 2.415 178.354 176.117 -0.296 0.000 1.097 22 I CA 1.353 62.523 61.300 -0.217 0.000 1.363 22 I CB -0.055 37.855 38.000 -0.151 0.000 1.051 22 I HN 0.500 nan 8.210 nan 0.000 0.413 23 A N -0.019 122.719 122.820 -0.136 0.000 1.969 23 A HA -0.186 4.134 4.320 0.001 0.000 0.218 23 A C 2.405 179.964 177.584 -0.042 0.000 1.169 23 A CA 2.215 54.231 52.037 -0.034 0.000 0.635 23 A CB -0.497 18.498 19.000 -0.008 0.000 0.810 23 A HN 0.532 nan 8.150 nan 0.000 0.445 24 S N -3.700 111.961 115.700 -0.065 0.000 2.539 24 S HA 0.424 4.894 4.470 0.001 0.000 0.226 24 S C 1.475 176.052 174.600 -0.039 0.000 1.054 24 S CA 1.167 59.349 58.200 -0.031 0.000 0.910 24 S CB 0.150 63.343 63.200 -0.012 0.000 0.818 24 S HN 1.887 nan 8.310 nan 0.000 0.490 25 G N 1.066 109.828 108.800 -0.064 0.000 2.176 25 G HA2 -0.260 3.700 3.960 0.001 0.000 0.253 25 G HA3 -0.260 3.700 3.960 0.001 0.000 0.253 25 G C -0.206 174.682 174.900 -0.019 0.000 0.979 25 G CA 0.218 45.286 45.100 -0.053 0.000 0.641 25 G HN 0.617 nan 8.290 nan 0.000 0.530 26 E N 0.491 120.693 120.200 0.004 0.000 2.376 26 E HA 0.352 4.703 4.350 0.001 0.000 0.266 26 E C 0.615 177.243 176.600 0.046 0.000 1.009 26 E CA -0.259 56.159 56.400 0.030 0.000 0.902 26 E CB 0.428 30.155 29.700 0.045 0.000 0.972 26 E HN 0.222 nan 8.360 nan 0.000 0.439 27 I N 3.123 123.713 120.570 0.034 0.000 2.392 27 I HA 0.233 4.403 4.170 0.001 0.000 0.295 27 I C 0.420 176.552 176.117 0.026 0.000 0.985 27 I CA -0.146 61.171 61.300 0.027 0.000 1.221 27 I CB 0.731 38.737 38.000 0.009 0.000 1.366 27 I HN 0.489 nan 8.210 nan 0.000 0.467 28 S N 4.686 120.392 115.700 0.011 0.000 2.705 28 S HA 0.445 4.915 4.470 0.001 0.000 0.280 28 S C -0.576 174.004 174.600 -0.033 0.000 1.174 28 S CA -0.631 57.564 58.200 -0.008 0.000 0.823 28 S CB 2.132 65.326 63.200 -0.009 0.000 1.162 28 S HN 0.502 nan 8.310 nan 0.000 0.487 29 Q N -0.992 118.795 119.800 -0.022 0.000 2.457 29 Q HA -0.174 4.166 4.340 0.001 0.000 0.283 29 Q C 0.284 176.333 176.000 0.082 0.000 1.234 29 Q CA 1.064 56.871 55.803 0.007 0.000 0.877 29 Q CB -2.576 26.062 28.738 -0.168 0.000 1.250 29 Q HN 1.253 nan 8.270 nan 0.000 0.481 30 A N 1.019 123.864 122.820 0.041 0.000 2.492 30 A HA 0.353 4.674 4.320 0.001 0.000 0.254 30 A C 0.389 178.009 177.584 0.060 0.000 1.091 30 A CA 0.455 52.503 52.037 0.019 0.000 0.768 30 A CB 0.405 19.398 19.000 -0.012 0.000 1.028 30 A HN 0.237 nan 8.150 nan 0.000 0.498 31 K N 1.612 122.054 120.400 0.069 0.000 2.468 31 K HA 0.526 4.846 4.320 0.001 0.000 0.252 31 K C -1.188 175.382 176.600 -0.050 0.000 0.932 31 K CA -0.511 55.795 56.287 0.031 0.000 0.794 31 K CB 2.429 35.040 32.500 0.185 0.000 1.241 31 K HN 0.580 nan 8.250 nan 0.000 0.428 32 T N 2.334 116.777 114.554 -0.184 0.000 2.770 32 T HA 0.411 4.761 4.350 0.001 0.000 0.283 32 T C -1.042 173.513 174.700 -0.242 0.000 0.988 32 T CA -0.516 61.521 62.100 -0.104 0.000 0.957 32 T CB 0.136 68.961 68.868 -0.071 0.000 0.930 32 T HN 0.258 nan 8.240 nan 0.000 0.443 33 Y N 0.851 121.190 120.300 0.064 0.000 2.487 33 Y HA 0.559 5.110 4.550 0.001 0.000 0.337 33 Y C 0.846 176.828 175.900 0.136 0.000 1.076 33 Y CA -1.119 57.066 58.100 0.142 0.000 1.115 33 Y CB 1.512 40.072 38.460 0.166 0.000 1.235 33 Y HN 0.526 nan 8.280 nan 0.000 0.468 34 S N 0.688 116.583 115.700 0.326 0.000 2.439 34 S HA 0.269 4.739 4.470 0.001 0.000 0.282 34 S C 1.246 175.987 174.600 0.236 0.000 1.170 34 S CA -0.100 58.196 58.200 0.160 0.000 1.054 34 S CB 0.244 63.490 63.200 0.078 0.000 0.956 34 S HN 0.978 nan 8.310 nan 0.000 0.490 35 G N 4.338 113.130 108.800 -0.014 0.000 2.498 35 G HA2 -0.084 3.876 3.960 0.001 0.000 0.219 35 G HA3 -0.084 3.876 3.960 0.001 0.000 0.219 35 G C 1.053 175.993 174.900 0.066 0.000 1.119 35 G CA 0.448 45.458 45.100 -0.149 0.000 0.766 35 G HN 0.753 nan 8.290 nan 0.000 0.552 36 L N 0.141 121.358 121.223 -0.011 0.000 2.478 36 L HA 0.084 4.425 4.340 0.001 0.000 0.223 36 L C 1.378 178.310 176.870 0.104 0.000 1.140 36 L CA 0.406 55.293 54.840 0.079 0.000 0.842 36 L CB 0.018 42.075 42.059 -0.003 0.000 0.953 36 L HN 0.030 nan 8.230 nan 0.000 0.452 37 D N -1.391 119.071 120.400 0.103 0.000 2.360 37 D HA 0.090 4.730 4.640 0.001 0.000 0.210 37 D C -0.286 175.859 176.300 -0.258 0.000 1.047 37 D CA 0.547 54.467 54.000 -0.133 0.000 0.854 37 D CB 0.371 40.971 40.800 -0.333 0.000 0.936 37 D HN 0.142 nan 8.370 nan 0.000 0.514 38 Y N -0.559 119.921 120.300 0.299 0.000 2.512 38 Y HA 0.284 4.834 4.550 0.001 0.000 0.348 38 Y C -1.649 174.467 175.900 0.359 0.000 0.990 38 Y CA -1.937 56.324 58.100 0.268 0.000 1.033 38 Y CB 2.128 40.716 38.460 0.214 0.000 1.259 38 Y HN -0.278 nan 8.280 nan 0.000 0.461 39 P HA 0.013 nan 4.420 nan 0.000 0.231 39 P C -0.272 176.971 177.300 -0.094 0.000 1.168 39 P CA 0.792 64.001 63.100 0.181 0.000 0.779 39 P CB 0.747 32.493 31.700 0.076 0.000 0.844 40 S N -2.290 113.122 115.700 -0.479 0.000 2.588 40 S HA 0.240 4.710 4.470 0.001 0.000 0.269 40 S C 0.505 174.149 174.600 -1.593 0.000 1.157 40 S CA -0.891 56.557 58.200 -1.253 0.000 0.824 40 S CB 0.594 63.390 63.200 -0.673 0.000 1.126 40 S HN -0.108 nan 8.310 nan 0.000 0.464 41 L N 1.023 121.157 121.223 -1.814 0.000 2.043 41 L HA -0.140 4.200 4.340 0.001 0.000 0.212 41 L C 2.558 178.936 176.870 -0.819 0.000 1.075 41 L CA 2.629 56.739 54.840 -1.216 0.000 0.752 41 L CB -0.641 40.857 42.059 -0.935 0.000 0.891 41 L HN 1.104 nan 8.230 nan 0.000 0.432 42 E N 0.053 119.802 120.200 -0.752 0.000 2.085 42 E HA -0.198 4.153 4.350 0.001 0.000 0.194 42 E C 1.089 177.420 176.600 -0.447 0.000 0.994 42 E CA 1.078 57.154 56.400 -0.539 0.000 0.801 42 E CB -0.068 29.367 29.700 -0.441 0.000 0.743 42 E HN 0.522 nan 8.360 nan 0.000 0.453 43 A N 0.650 123.205 122.820 -0.442 0.000 3.077 43 A HA 0.296 4.616 4.320 0.001 0.000 0.255 43 A C 0.430 177.657 177.584 -0.595 0.000 1.728 43 A CA -0.122 51.703 52.037 -0.353 0.000 1.383 43 A CB 0.243 19.154 19.000 -0.150 0.000 1.097 43 A HN 0.188 nan 8.150 nan 0.000 0.634 44 V N -0.381 119.127 119.914 -0.677 0.000 3.079 44 V HA 0.009 4.129 4.120 0.001 0.000 0.232 44 V C 1.871 177.573 176.094 -0.654 0.000 1.594 44 V CA 0.502 62.230 62.300 -0.952 0.000 1.153 44 V CB -0.613 30.724 31.823 -0.810 0.000 1.049 44 V HN 0.637 nan 8.190 nan 0.000 0.448 45 I N 0.592 120.894 120.570 -0.447 0.000 2.226 45 I HA -0.211 3.959 4.170 0.001 0.000 0.245 45 I C 2.715 178.742 176.117 -0.149 0.000 1.100 45 I CA 1.775 62.927 61.300 -0.248 0.000 1.374 45 I CB -0.304 37.528 38.000 -0.279 0.000 1.057 45 I HN 0.239 nan 8.210 nan 0.000 0.413 46 R N 0.193 120.568 120.500 -0.209 0.000 2.083 46 R HA -0.143 4.198 4.340 0.001 0.000 0.237 46 R C 2.329 178.571 176.300 -0.096 0.000 1.137 46 R CA 1.483 57.504 56.100 -0.131 0.000 0.951 46 R CB -0.590 29.628 30.300 -0.137 0.000 0.851 46 R HN 0.237 nan 8.270 nan 0.000 0.434 47 V N 0.267 120.085 119.914 -0.160 0.000 2.261 47 V HA -0.293 3.827 4.120 0.001 0.000 0.246 47 V C 2.012 178.098 176.094 -0.014 0.000 1.047 47 V CA 1.893 64.136 62.300 -0.095 0.000 1.015 47 V CB -0.707 31.027 31.823 -0.150 0.000 0.642 47 V HN 0.292 nan 8.190 nan 0.000 0.446 48 Y N 0.386 120.585 120.300 -0.169 0.000 2.151 48 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 48 Y C 2.183 178.172 175.900 0.148 0.000 1.166 48 Y CA 1.802 59.930 58.100 0.046 0.000 1.163 48 Y CB -0.195 38.251 38.460 -0.024 0.000 0.974 48 Y HN 0.142 nan 8.280 nan 0.000 0.511 49 L N -0.549 120.718 121.223 0.073 0.000 2.270 49 L HA -0.086 4.255 4.340 0.001 0.000 0.210 49 L C 2.395 179.257 176.870 -0.013 0.000 1.104 49 L CA 0.663 55.523 54.840 0.032 0.000 0.804 49 L CB -0.455 41.669 42.059 0.109 0.000 0.937 49 L HN 0.135 nan 8.230 nan 0.000 0.450 50 E N 0.987 121.172 120.200 -0.025 0.000 2.085 50 E HA -0.219 4.132 4.350 0.001 0.000 0.194 50 E C 1.104 177.654 176.600 -0.083 0.000 0.994 50 E CA 1.301 57.678 56.400 -0.038 0.000 0.801 50 E CB 0.098 29.781 29.700 -0.028 0.000 0.743 50 E HN 0.435 nan 8.360 nan 0.000 0.453 51 E N -1.243 118.871 120.200 -0.143 0.000 2.370 51 E HA 0.069 4.419 4.350 0.001 0.000 0.194 51 E C 0.161 176.393 176.600 -0.614 0.000 1.057 51 E CA -0.008 56.218 56.400 -0.289 0.000 1.011 51 E CB 0.231 29.780 29.700 -0.252 0.000 1.132 51 E HN 0.262 nan 8.360 nan 0.000 0.450 52 H N -0.961 117.979 119.070 -0.217 0.000 3.678 52 H HA 0.171 4.727 4.556 0.001 0.000 0.246 52 H C 0.095 175.343 175.328 -0.135 0.000 1.016 52 H CA -0.220 55.692 56.048 -0.227 0.000 1.104 52 H CB 0.745 30.276 29.762 -0.384 0.000 1.449 52 H HN -0.078 nan 8.280 nan 0.000 0.606 53 K N 0.005 120.403 120.400 -0.003 0.000 3.341 53 K HA -0.133 4.188 4.320 0.001 0.000 0.305 53 K C -0.230 176.389 176.600 0.031 0.000 1.270 53 K CA 0.816 57.105 56.287 0.004 0.000 0.897 53 K CB -2.691 29.802 32.500 -0.011 0.000 1.264 53 K HN 0.271 nan 8.250 nan 0.000 0.468 54 V N -0.355 119.585 119.914 0.042 0.000 2.567 54 V HA 0.375 4.495 4.120 0.001 0.000 0.289 54 V C 0.737 176.875 176.094 0.074 0.000 1.049 54 V CA -0.839 61.510 62.300 0.082 0.000 0.969 54 V CB 1.851 33.747 31.823 0.122 0.000 0.995 54 V HN 0.009 nan 8.190 nan 0.000 0.471 55 E N 2.761 123.004 120.200 0.073 0.000 2.257 55 E HA 0.356 4.707 4.350 0.001 0.000 0.278 55 E C -0.280 176.343 176.600 0.039 0.000 1.049 55 E CA -0.012 56.417 56.400 0.049 0.000 0.876 55 E CB 1.709 31.428 29.700 0.032 0.000 1.035 55 E HN 0.802 nan 8.360 nan 0.000 0.419 56 V N 2.202 122.125 119.914 0.013 0.000 2.555 56 V HA 0.366 4.487 4.120 0.001 0.000 0.302 56 V C 0.338 176.258 176.094 -0.289 0.000 1.038 56 V CA -0.397 61.852 62.300 -0.086 0.000 0.887 56 V CB 1.708 33.514 31.823 -0.029 0.000 0.991 56 V HN 0.639 nan 8.190 nan 0.000 0.434 57 K N 2.566 122.729 120.400 -0.395 0.000 2.425 57 K HA 0.367 4.687 4.320 0.001 0.000 0.201 57 K C -0.537 175.618 176.600 -0.742 0.000 1.128 57 K CA -0.075 55.925 56.287 -0.478 0.000 1.000 57 K CB 0.608 33.005 32.500 -0.172 0.000 0.961 57 K HN 0.770 nan 8.250 nan 0.000 0.555 58 D N 0.073 120.098 120.400 -0.625 0.000 2.738 58 D HA 0.392 5.033 4.640 0.001 0.000 0.237 58 D C -0.625 175.569 176.300 -0.176 0.000 1.123 58 D CA -0.308 53.519 54.000 -0.288 0.000 0.856 58 D CB 2.286 43.050 40.800 -0.060 0.000 1.552 58 D HN 0.120 nan 8.370 nan 0.000 0.480 59 G N -0.270 108.603 108.800 0.122 0.000 2.719 59 G HA2 0.493 4.453 3.960 0.001 0.000 0.298 59 G HA3 0.493 4.453 3.960 0.001 0.000 0.298 59 G C -1.425 173.600 174.900 0.209 0.000 1.411 59 G CA -0.491 44.766 45.100 0.261 0.000 0.991 59 G HN 0.549 nan 8.290 nan 0.000 0.509 60 C N 3.173 122.560 119.300 0.144 0.000 2.346 60 C HA 0.775 5.235 4.460 0.001 0.000 0.326 60 C C -0.656 174.376 174.990 0.071 0.000 1.224 60 C CA -0.710 58.384 59.018 0.127 0.000 1.408 60 C CB -0.751 27.078 27.740 0.149 0.000 2.089 60 C HN 0.556 nan 8.230 nan 0.000 0.456 61 I N 5.529 126.135 120.570 0.059 0.000 2.354 61 I HA 0.562 4.732 4.170 0.001 0.000 0.292 61 I C 0.730 176.861 176.117 0.023 0.000 0.989 61 I CA 0.313 61.630 61.300 0.027 0.000 1.188 61 I CB 1.731 39.739 38.000 0.014 0.000 1.342 61 I HN 0.821 nan 8.210 nan 0.000 0.457 62 A N 7.890 130.710 122.820 0.001 0.000 2.309 62 A HA 0.837 5.158 4.320 0.001 0.000 0.298 62 A C -0.394 177.207 177.584 0.028 0.000 1.165 62 A CA -0.271 51.762 52.037 -0.006 0.000 0.821 62 A CB 0.270 19.247 19.000 -0.039 0.000 1.102 62 A HN 0.649 nan 8.150 nan 0.000 0.500 63 I N 1.356 121.955 120.570 0.049 0.000 2.619 63 I HA 0.381 4.552 4.170 0.001 0.000 0.292 63 I C 0.490 176.653 176.117 0.076 0.000 1.100 63 I CA -0.706 60.644 61.300 0.083 0.000 1.043 63 I CB 2.284 40.364 38.000 0.133 0.000 1.239 63 I HN 0.681 nan 8.210 nan 0.000 0.420 64 A N 5.238 128.105 122.820 0.078 0.000 3.077 64 A HA 0.462 4.783 4.320 0.001 0.000 0.255 64 A C 0.096 177.739 177.584 0.098 0.000 1.728 64 A CA -0.230 51.863 52.037 0.094 0.000 1.383 64 A CB -1.038 18.010 19.000 0.080 0.000 1.097 64 A HN 0.826 nan 8.150 nan 0.000 0.634 65 C N -2.794 116.559 119.300 0.090 0.000 3.318 65 C HA 0.823 5.284 4.460 0.001 0.000 0.322 65 C C -3.309 171.717 174.990 0.061 0.000 1.398 65 C CA -2.093 56.969 59.018 0.073 0.000 1.339 65 C CB 1.148 28.921 27.740 0.056 0.000 1.668 65 C HN 0.344 nan 8.230 nan 0.000 0.462 66 P HA 0.378 nan 4.420 nan 0.000 0.271 66 P C -0.818 176.492 177.300 0.016 0.000 1.216 66 P CA 0.105 63.229 63.100 0.040 0.000 0.771 66 P CB 0.239 31.959 31.700 0.033 0.000 0.864 67 I N 3.231 123.811 120.570 0.018 0.000 2.354 67 I HA 0.233 4.403 4.170 0.001 0.000 0.286 67 I C 0.989 177.114 176.117 0.012 0.000 1.007 67 I CA 0.032 61.330 61.300 -0.002 0.000 1.167 67 I CB 0.615 38.617 38.000 0.003 0.000 1.320 67 I HN 0.328 nan 8.210 nan 0.000 0.458 68 T N 3.633 118.193 114.554 0.009 0.000 3.479 68 T HA 0.330 4.681 4.350 0.001 0.000 0.197 68 T C 0.964 175.680 174.700 0.028 0.000 0.912 68 T CA 0.379 62.493 62.100 0.024 0.000 1.281 68 T CB 0.055 68.941 68.868 0.029 0.000 1.588 68 T HN 0.612 nan 8.240 nan 0.000 0.389 69 G N 0.315 109.137 108.800 0.037 0.000 2.531 69 G HA2 0.259 4.219 3.960 0.001 0.000 0.253 69 G HA3 0.259 4.219 3.960 0.001 0.000 0.253 69 G C 0.385 175.310 174.900 0.041 0.000 1.439 69 G CA 0.148 45.276 45.100 0.047 0.000 1.056 69 G HN 0.478 nan 8.290 nan 0.000 0.555 70 D N -1.799 118.641 120.400 0.067 0.000 2.218 70 D HA -0.078 4.563 4.640 0.001 0.000 0.204 70 D C 0.477 176.811 176.300 0.057 0.000 0.976 70 D CA 0.354 54.395 54.000 0.068 0.000 0.853 70 D CB 0.111 40.972 40.800 0.103 0.000 0.939 70 D HN 0.231 nan 8.370 nan 0.000 0.481 71 W N 1.263 122.495 121.300 -0.114 0.000 2.331 71 W HA 0.436 5.096 4.660 0.001 0.000 0.306 71 W C -1.422 174.953 176.519 -0.240 0.000 1.162 71 W CA -0.729 56.513 57.345 -0.171 0.000 1.232 71 W CB 0.934 30.333 29.460 -0.101 0.000 1.235 71 W HN -0.394 nan 8.180 nan 0.000 0.479 72 V N 6.703 126.021 119.914 -0.992 0.000 2.384 72 V HA 0.610 4.731 4.120 0.001 0.000 0.287 72 V C 0.386 176.006 176.094 -0.790 0.000 1.020 72 V CA -0.582 61.225 62.300 -0.822 0.000 0.850 72 V CB 0.597 31.767 31.823 -1.088 0.000 0.987 72 V HN 0.636 nan 8.190 nan 0.000 0.436 76 N N 0.993 119.726 118.700 0.056 0.000 2.197 76 N HA 0.282 5.022 4.740 0.001 0.000 0.228 76 N C -0.559 174.994 175.510 0.072 0.000 1.212 76 N CA -0.080 52.997 53.050 0.045 0.000 0.883 76 N CB 0.682 39.183 38.487 0.024 0.000 1.107 76 N HN 0.586 nan 8.380 nan 0.000 0.519 77 H N -1.352 117.674 119.070 -0.074 0.000 2.949 77 H HA 0.189 4.745 4.556 0.001 0.000 0.356 77 H C 0.459 175.740 175.328 -0.080 0.000 1.212 77 H CA -0.266 55.690 56.048 -0.153 0.000 1.136 77 H CB 1.770 31.336 29.762 -0.327 0.000 1.869 77 H HN 0.051 nan 8.280 nan 0.000 0.556 78 T N -0.795 113.422 114.554 -0.562 0.000 3.088 78 T HA 0.007 4.357 4.350 0.001 0.000 0.259 78 T C 0.529 175.175 174.700 -0.090 0.000 1.122 78 T CA -0.381 61.562 62.100 -0.261 0.000 1.095 78 T CB -0.038 68.724 68.868 -0.177 0.000 0.930 78 T HN 0.193 nan 8.240 nan 0.000 0.508 79 W N 2.483 123.566 121.300 -0.362 0.000 2.231 79 W HA 0.556 5.217 4.660 0.000 0.000 0.341 79 W C 0.422 176.916 176.519 -0.042 0.000 1.298 79 W CA -1.060 56.206 57.345 -0.131 0.000 1.266 79 W CB -0.560 28.878 29.460 -0.037 0.000 1.172 79 W HN 0.394 nan 8.180 nan 0.000 0.568 80 A N 4.504 127.432 122.820 0.179 0.000 2.555 80 A HA 0.785 5.106 4.320 0.001 0.000 0.297 80 A C -1.648 175.682 177.584 -0.424 0.000 1.060 80 A CA -0.765 51.177 52.037 -0.159 0.000 0.710 80 A CB 0.696 19.700 19.000 0.007 0.000 1.282 80 A HN 0.681 nan 8.150 nan 0.000 0.399 81 F N -0.034 119.216 119.950 -1.165 0.000 2.713 81 F HA 0.818 5.346 4.527 0.001 0.000 0.311 81 F C -0.245 174.913 175.800 -1.070 0.000 1.141 81 F CA -0.694 56.691 58.000 -1.026 0.000 0.939 81 F CB 1.321 40.029 39.000 -0.488 0.000 1.325 81 F HN 0.594 nan 8.300 nan 0.000 0.453 82 S N 1.793 117.344 115.700 -0.248 0.000 2.489 82 S HA 0.413 4.883 4.470 0.001 0.000 0.277 82 S C 0.967 175.659 174.600 0.153 0.000 1.230 82 S CA -0.653 57.594 58.200 0.078 0.000 1.053 82 S CB 0.199 63.593 63.200 0.323 0.000 0.955 82 S HN 0.692 nan 8.310 nan 0.000 0.488 83 I N 4.575 125.182 120.570 0.062 0.000 2.226 83 I HA -0.162 4.008 4.170 0.001 0.000 0.245 83 I C 2.640 178.826 176.117 0.115 0.000 1.100 83 I CA 1.506 62.894 61.300 0.145 0.000 1.374 83 I CB -0.606 37.441 38.000 0.079 0.000 1.057 83 I HN 0.795 nan 8.210 nan 0.000 0.413 84 A N 0.098 122.974 122.820 0.094 0.000 1.873 84 A HA -0.141 4.180 4.320 0.001 0.000 0.215 84 A C 1.448 179.067 177.584 0.058 0.000 1.186 84 A CA 0.757 52.837 52.037 0.072 0.000 0.616 84 A CB -0.505 18.536 19.000 0.068 0.000 0.823 84 A HN 0.370 nan 8.150 nan 0.000 0.442 88 K N 1.618 122.014 120.400 -0.007 0.000 2.025 88 K HA 0.071 4.391 4.320 0.001 0.000 0.207 88 K C 1.426 178.016 176.600 -0.018 0.000 1.049 88 K CA 2.350 58.639 56.287 0.003 0.000 0.933 88 K CB -0.159 32.348 32.500 0.011 0.000 0.714 88 K HN 0.295 nan 8.250 nan 0.000 0.438 89 N N -0.153 118.517 118.700 -0.049 0.000 2.137 89 N HA -0.134 4.607 4.740 0.001 0.000 0.190 89 N C 0.059 175.516 175.510 -0.090 0.000 1.017 89 N CA 0.754 53.762 53.050 -0.069 0.000 0.859 89 N CB -0.125 38.304 38.487 -0.097 0.000 1.002 89 N HN 0.058 nan 8.380 nan 0.000 0.428 90 L N -1.046 120.084 121.223 -0.155 0.000 2.469 90 L HA 0.276 4.617 4.340 0.001 0.000 0.253 90 L C 1.736 178.645 176.870 0.066 0.000 1.143 90 L CA -0.617 54.119 54.840 -0.172 0.000 0.804 90 L CB 0.360 42.034 42.059 -0.642 0.000 1.214 90 L HN 0.017 nan 8.230 nan 0.000 0.476 91 G N -0.357 108.627 108.800 0.305 0.000 2.990 91 G HA2 -0.007 3.954 3.960 0.001 0.000 0.206 91 G HA3 -0.007 3.954 3.960 0.001 0.000 0.206 91 G C 0.136 175.234 174.900 0.330 0.000 1.169 91 G CA -0.064 45.211 45.100 0.292 0.000 0.819 91 G HN 0.115 nan 8.290 nan 0.000 0.517 92 F N 0.239 120.184 119.950 -0.009 0.000 2.396 92 F HA 0.384 4.911 4.527 0.001 0.000 0.343 92 F C 1.481 177.261 175.800 -0.034 0.000 1.104 92 F CA -1.054 56.943 58.000 -0.004 0.000 1.161 92 F CB 1.744 40.748 39.000 0.006 0.000 1.146 92 F HN -0.085 nan 8.300 nan 0.000 0.522 93 S N 1.126 116.840 115.700 0.023 0.000 2.348 93 S HA -0.039 4.432 4.470 0.001 0.000 0.219 93 S C -0.102 174.303 174.600 -0.325 0.000 1.033 93 S CA 0.857 58.968 58.200 -0.149 0.000 0.974 93 S CB -0.169 62.952 63.200 -0.131 0.000 0.868 93 S HN 0.574 nan 8.310 nan 0.000 0.459 94 H N -0.344 118.763 119.070 0.062 0.000 2.547 94 H HA 0.527 5.084 4.556 0.001 0.000 0.342 94 H C -0.871 174.568 175.328 0.185 0.000 1.048 94 H CA -0.429 55.676 56.048 0.095 0.000 1.204 94 H CB 1.294 31.085 29.762 0.049 0.000 1.493 94 H HN 0.058 nan 8.280 nan 0.000 0.511 95 L N 3.254 124.650 121.223 0.288 0.000 2.442 95 L HA 0.332 4.672 4.340 0.001 0.000 0.261 95 L C -0.863 176.133 176.870 0.210 0.000 1.000 95 L CA -0.584 54.424 54.840 0.280 0.000 0.882 95 L CB 0.873 43.074 42.059 0.236 0.000 1.207 95 L HN 0.663 nan 8.230 nan 0.000 0.443 96 E N 4.852 125.180 120.200 0.213 0.000 2.200 96 E HA 0.417 4.767 4.350 0.001 0.000 0.283 96 E C -0.492 176.189 176.600 0.134 0.000 1.015 96 E CA -0.548 55.970 56.400 0.196 0.000 0.819 96 E CB 2.588 32.461 29.700 0.288 0.000 1.081 96 E HN 0.377 nan 8.360 nan 0.000 0.397 97 I N 5.084 125.714 120.570 0.099 0.000 2.389 97 I HA 0.414 4.584 4.170 0.001 0.000 0.288 97 I C 0.410 176.532 176.117 0.008 0.000 0.999 97 I CA -0.691 60.652 61.300 0.071 0.000 1.129 97 I CB 0.847 38.910 38.000 0.106 0.000 1.288 97 I HN 0.434 nan 8.210 nan 0.000 0.444 98 I N 2.685 123.234 120.570 -0.035 0.000 3.002 98 I HA 0.553 4.723 4.170 0.001 0.000 0.310 98 I C -0.099 176.003 176.117 -0.025 0.000 1.087 98 I CA -0.879 60.370 61.300 -0.085 0.000 1.017 98 I CB 2.283 40.125 38.000 -0.264 0.000 1.226 98 I HN 0.460 nan 8.210 nan 0.000 0.443 99 N N 2.655 121.356 118.700 0.001 0.000 2.453 99 N HA -0.061 4.679 4.740 0.001 0.000 0.253 99 N C 0.622 176.162 175.510 0.050 0.000 1.252 99 N CA 0.239 53.322 53.050 0.055 0.000 0.917 99 N CB 1.003 39.550 38.487 0.100 0.000 1.117 99 N HN 0.892 nan 8.380 nan 0.000 0.442 100 D N 2.993 123.436 120.400 0.071 0.000 2.149 100 D HA -0.227 4.413 4.640 0.001 0.000 0.198 100 D C 1.537 177.790 176.300 -0.078 0.000 0.990 100 D CA 1.582 55.576 54.000 -0.011 0.000 0.839 100 D CB -0.596 40.188 40.800 -0.025 0.000 0.948 100 D HN 0.521 nan 8.370 nan 0.000 0.460 101 F N 1.327 121.278 119.950 0.002 0.000 2.293 101 F HA -0.060 4.467 4.527 0.000 0.000 0.300 101 F C 2.724 178.521 175.800 -0.005 0.000 1.086 101 F CA 1.271 59.275 58.000 0.007 0.000 1.375 101 F CB -0.344 38.679 39.000 0.038 0.000 1.045 101 F HN -0.057 nan 8.300 nan 0.000 0.516 102 T N -0.248 114.385 114.554 0.132 0.000 2.708 102 T HA -0.222 4.128 4.350 0.001 0.000 0.266 102 T C 2.328 177.014 174.700 -0.023 0.000 1.037 102 T CA 1.365 63.495 62.100 0.051 0.000 1.146 102 T CB -0.677 68.194 68.868 0.005 0.000 0.865 102 T HN 0.294 nan 8.240 nan 0.000 0.435 103 A N 0.987 123.766 122.820 -0.068 0.000 1.877 103 A HA -0.064 4.256 4.320 0.001 0.000 0.216 103 A C 2.610 180.112 177.584 -0.137 0.000 1.186 103 A CA 1.455 53.432 52.037 -0.100 0.000 0.620 103 A CB -1.118 17.819 19.000 -0.106 0.000 0.822 103 A HN 0.343 nan 8.150 nan 0.000 0.443 104 V N 1.115 120.921 119.914 -0.179 0.000 2.343 104 V HA -0.167 3.953 4.120 0.001 0.000 0.247 104 V C 2.019 177.996 176.094 -0.196 0.000 1.051 104 V CA 1.632 63.793 62.300 -0.232 0.000 1.036 104 V CB -1.079 30.536 31.823 -0.346 0.000 0.654 104 V HN 0.786 nan 8.190 nan 0.000 0.451 108 I N 1.811 122.119 120.570 -0.436 0.000 2.194 108 I HA -0.085 4.085 4.170 0.001 0.000 0.246 108 I C -0.983 174.831 176.117 -0.504 0.000 1.093 108 I CA 1.450 62.420 61.300 -0.551 0.000 1.355 108 I CB -0.765 36.760 38.000 -0.791 0.000 1.046 108 I HN 0.336 nan 8.210 nan 0.000 0.413 112 K N 1.015 121.568 120.400 0.255 0.000 2.210 112 K HA 0.382 4.702 4.320 0.001 0.000 0.236 112 K C 0.717 177.242 176.600 -0.126 0.000 1.016 112 K CA -0.911 55.359 56.287 -0.027 0.000 0.913 112 K CB 1.210 33.636 32.500 -0.123 0.000 1.141 112 K HN 0.552 nan 8.250 nan 0.000 0.462 113 K N 0.316 120.637 120.400 -0.132 0.000 2.280 113 K HA -0.165 4.155 4.320 0.001 0.000 0.202 113 K C 0.589 177.116 176.600 -0.122 0.000 1.047 113 K CA 1.623 57.847 56.287 -0.106 0.000 0.942 113 K CB -0.019 32.445 32.500 -0.060 0.000 0.739 113 K HN 0.413 nan 8.250 nan 0.000 0.457 114 E N 0.841 120.902 120.200 -0.233 0.000 2.338 114 E HA -0.111 4.239 4.350 0.001 0.000 0.197 114 E C 1.182 177.698 176.600 -0.140 0.000 1.007 114 E CA 0.843 57.114 56.400 -0.214 0.000 0.849 114 E CB -0.181 29.358 29.700 -0.270 0.000 0.774 114 E HN 0.482 nan 8.360 nan 0.000 0.506 115 H N -0.356 118.720 119.070 0.009 0.000 2.539 115 H HA 0.278 4.834 4.556 0.001 0.000 0.267 115 H C -0.080 175.278 175.328 0.050 0.000 0.982 115 H CA 0.290 56.365 56.048 0.045 0.000 1.146 115 H CB 0.049 29.873 29.762 0.103 0.000 1.382 115 H HN 0.084 nan 8.280 nan 0.000 0.577 116 L N 0.923 122.212 121.223 0.110 0.000 2.436 116 L HA 0.422 4.762 4.340 0.001 0.000 0.268 116 L C -0.662 176.274 176.870 0.111 0.000 0.974 116 L CA -0.568 54.345 54.840 0.121 0.000 0.826 116 L CB 2.847 44.911 42.059 0.008 0.000 1.291 116 L HN -0.132 nan 8.230 nan 0.000 0.406 117 I N 2.611 123.256 120.570 0.125 0.000 2.330 117 I HA 0.259 4.429 4.170 0.001 0.000 0.289 117 I C 0.097 176.166 176.117 -0.081 0.000 1.001 117 I CA -0.259 61.032 61.300 -0.017 0.000 1.193 117 I CB 1.784 39.742 38.000 -0.070 0.000 1.345 117 I HN 0.631 nan 8.210 nan 0.000 0.461 118 Q N 5.729 125.423 119.800 -0.175 0.000 2.340 118 Q HA 0.354 4.694 4.340 0.001 0.000 0.249 118 Q C -1.603 174.025 176.000 -0.619 0.000 0.957 118 Q CA 0.090 55.717 55.803 -0.294 0.000 0.882 118 Q CB 0.780 29.391 28.738 -0.213 0.000 1.235 118 Q HN 0.513 nan 8.270 nan 0.000 0.439 119 F N 2.999 122.839 119.950 -0.183 0.000 2.676 119 F HA 0.499 5.026 4.527 0.000 0.000 0.371 119 F C 0.618 176.329 175.800 -0.148 0.000 1.141 119 F CA 0.219 58.164 58.000 -0.092 0.000 1.133 119 F CB 1.399 40.403 39.000 0.007 0.000 1.376 119 F HN 0.894 nan 8.300 nan 0.000 0.491 120 G N 1.118 109.897 108.800 -0.034 0.000 2.804 120 G HA2 0.370 4.330 3.960 0.001 0.000 0.230 120 G HA3 0.370 4.330 3.960 0.001 0.000 0.230 120 G C 0.049 174.849 174.900 -0.167 0.000 1.386 120 G CA -0.097 44.952 45.100 -0.084 0.000 0.875 120 G HN 1.877 nan 8.290 nan 0.000 0.557 121 G N -2.089 106.614 108.800 -0.163 0.000 2.758 121 G HA2 0.481 4.442 3.960 0.001 0.000 0.686 121 G HA3 0.481 4.442 3.960 0.001 0.000 0.686 121 G C 0.761 175.590 174.900 -0.118 0.000 1.389 121 G CA 0.772 45.780 45.100 -0.153 0.000 0.845 121 G HN 2.565 nan 8.290 nan 0.000 0.572 122 A N 0.559 123.338 122.820 -0.068 0.000 3.720 122 A HA 0.739 5.059 4.320 0.001 0.000 0.157 122 A C 0.783 178.369 177.584 0.003 0.000 1.736 122 A CA 1.036 53.060 52.037 -0.023 0.000 1.289 122 A CB 0.034 19.038 19.000 0.007 0.000 1.598 122 A HN 0.863 nan 8.150 nan 0.000 0.692 123 E N 0.024 120.251 120.200 0.045 0.000 2.235 123 E HA 0.488 4.839 4.350 0.001 0.000 0.265 123 E C -2.602 174.074 176.600 0.126 0.000 0.940 123 E CA -1.986 54.470 56.400 0.094 0.000 0.819 123 E CB 0.958 30.708 29.700 0.083 0.000 1.206 123 E HN 0.330 nan 8.360 nan 0.000 0.409 124 P HA 0.130 nan 4.420 nan 0.000 0.275 124 P C -0.346 177.059 177.300 0.176 0.000 1.228 124 P CA -0.354 62.878 63.100 0.220 0.000 0.786 124 P CB 0.583 32.456 31.700 0.289 0.000 0.927 125 V N 2.005 122.035 119.914 0.193 0.000 2.498 125 V HA 0.165 4.286 4.120 0.001 0.000 0.279 125 V C 0.735 176.941 176.094 0.187 0.000 1.048 125 V CA -0.354 62.038 62.300 0.153 0.000 0.967 125 V CB 0.584 32.478 31.823 0.118 0.000 0.988 125 V HN 0.538 nan 8.190 nan 0.000 0.473 126 E N 3.445 123.732 120.200 0.144 0.000 2.331 126 E HA 0.486 4.836 4.350 0.001 0.000 0.272 126 E C 1.077 177.763 176.600 0.143 0.000 1.036 126 E CA 0.745 57.233 56.400 0.147 0.000 0.864 126 E CB 0.939 30.700 29.700 0.103 0.000 1.035 126 E HN 0.961 nan 8.360 nan 0.000 0.408 127 G N 3.005 111.906 108.800 0.167 0.000 2.155 127 G HA2 -0.328 3.633 3.960 0.001 0.000 0.257 127 G HA3 -0.328 3.633 3.960 0.001 0.000 0.257 127 G C 0.214 175.232 174.900 0.197 0.000 0.983 127 G CA 0.794 45.957 45.100 0.105 0.000 0.676 127 G HN 0.514 nan 8.290 nan 0.000 0.528 128 K N 0.603 121.156 120.400 0.255 0.000 2.123 128 K HA 0.651 4.971 4.320 0.001 0.000 0.248 128 K C -2.293 174.483 176.600 0.293 0.000 0.969 128 K CA -2.193 54.257 56.287 0.271 0.000 0.882 128 K CB 1.312 34.007 32.500 0.324 0.000 1.080 128 K HN -0.019 nan 8.250 nan 0.000 0.441 129 P HA 0.066 nan 4.420 nan 0.000 0.271 129 P C -0.787 176.674 177.300 0.268 0.000 1.218 129 P CA -0.238 63.006 63.100 0.239 0.000 0.780 129 P CB 0.411 32.205 31.700 0.157 0.000 0.901 130 I N 0.154 120.908 120.570 0.307 0.000 2.797 130 I HA 0.798 4.968 4.170 0.001 0.000 0.307 130 I C -1.422 174.874 176.117 0.298 0.000 1.033 130 I CA -1.377 60.123 61.300 0.334 0.000 1.071 130 I CB 2.260 40.486 38.000 0.377 0.000 1.255 130 I HN 0.343 nan 8.210 nan 0.000 0.445 131 A N 5.843 128.837 122.820 0.290 0.000 2.342 131 A HA 0.718 5.038 4.320 0.001 0.000 0.323 131 A C -1.071 176.672 177.584 0.264 0.000 1.125 131 A CA -0.512 51.570 52.037 0.076 0.000 0.785 131 A CB 1.430 20.444 19.000 0.023 0.000 1.221 131 A HN 0.541 nan 8.150 nan 0.000 0.463 132 V N 2.681 122.704 119.914 0.182 0.000 2.495 132 V HA 0.671 4.791 4.120 0.001 0.000 0.298 132 V C -0.579 175.803 176.094 0.479 0.000 1.031 132 V CA -0.567 61.960 62.300 0.377 0.000 0.871 132 V CB 0.396 32.401 31.823 0.303 0.000 0.988 132 V HN 0.925 nan 8.190 nan 0.000 0.432 133 Y N 1.237 121.722 120.300 0.307 0.000 2.609 133 Y HA 1.005 5.555 4.550 0.001 0.000 0.342 133 Y C -0.047 176.073 175.900 0.366 0.000 1.058 133 Y CA -1.058 57.221 58.100 0.297 0.000 1.055 133 Y CB 2.532 41.158 38.460 0.277 0.000 1.292 133 Y HN 0.830 nan 8.280 nan 0.000 0.476 134 G N 0.260 109.243 108.800 0.305 0.000 2.766 134 G HA2 0.574 4.534 3.960 0.001 0.000 0.297 134 G HA3 0.574 4.534 3.960 0.001 0.000 0.297 134 G C -1.942 173.025 174.900 0.112 0.000 1.431 134 G CA -0.638 44.554 45.100 0.153 0.000 1.042 134 G HN 0.995 nan 8.290 nan 0.000 0.542 135 A N 1.012 123.855 122.820 0.038 0.000 2.260 135 A HA 0.886 5.207 4.320 0.001 0.000 0.312 135 A C 0.837 178.494 177.584 0.121 0.000 1.321 135 A CA 0.488 52.590 52.037 0.108 0.000 0.928 135 A CB 0.792 19.937 19.000 0.242 0.000 1.158 135 A HN 1.670 nan 8.150 nan 0.000 0.542 136 G N 0.490 109.349 108.800 0.098 0.000 3.418 136 G HA2 0.342 4.302 3.960 0.001 0.000 0.179 136 G HA3 0.342 4.302 3.960 0.001 0.000 0.179 136 G C 0.875 175.806 174.900 0.052 0.000 1.212 136 G CA 0.655 45.795 45.100 0.068 0.000 0.935 136 G HN 0.443 nan 8.290 nan 0.000 0.716 137 T N 0.419 115.003 114.554 0.050 0.000 2.759 137 T HA 0.236 4.586 4.350 0.001 0.000 0.269 137 T C 1.133 175.861 174.700 0.047 0.000 1.042 137 T CA 1.620 63.745 62.100 0.041 0.000 1.140 137 T CB -0.333 68.563 68.868 0.046 0.000 0.864 137 T HN 0.823 nan 8.240 nan 0.000 0.455 138 G N -0.101 108.733 108.800 0.057 0.000 3.021 138 G HA2 0.592 4.552 3.960 0.001 0.000 0.290 138 G HA3 0.592 4.552 3.960 0.001 0.000 0.290 138 G C -1.995 172.897 174.900 -0.014 0.000 1.291 138 G CA -0.788 44.329 45.100 0.028 0.000 0.834 138 G HN 0.220 nan 8.290 nan 0.000 0.564 139 L N 1.224 122.375 121.223 -0.121 0.000 2.316 139 L HA 0.768 5.108 4.340 0.001 0.000 0.280 139 L C 0.356 177.040 176.870 -0.311 0.000 1.006 139 L CA -0.500 54.223 54.840 -0.196 0.000 0.836 139 L CB 1.020 42.911 42.059 -0.280 0.000 1.221 139 L HN 0.722 nan 8.230 nan 0.000 0.418 140 G N 3.763 112.250 108.800 -0.521 0.000 2.371 140 G HA2 0.605 4.566 3.960 0.001 0.000 0.326 140 G HA3 0.605 4.566 3.960 0.001 0.000 0.326 140 G C -1.462 172.889 174.900 -0.914 0.000 1.127 140 G CA -0.321 44.068 45.100 -1.186 0.000 0.885 140 G HN 0.881 nan 8.290 nan 0.000 0.477 141 V N 0.351 119.955 119.914 -0.516 0.000 2.808 141 V HA 0.940 5.060 4.120 0.001 0.000 0.308 141 V C -0.549 175.528 176.094 -0.028 0.000 1.099 141 V CA -0.144 62.074 62.300 -0.136 0.000 0.920 141 V CB 1.471 33.337 31.823 0.071 0.000 1.014 141 V HN 1.701 nan 8.190 nan 0.000 0.425 142 A N 3.948 126.786 122.820 0.031 0.000 2.556 142 A HA 0.977 5.297 4.320 0.001 0.000 0.294 142 A C -1.444 176.094 177.584 -0.077 0.000 1.091 142 A CA -0.614 51.485 52.037 0.104 0.000 0.704 142 A CB 1.802 20.933 19.000 0.218 0.000 1.300 142 A HN 1.194 nan 8.150 nan 0.000 0.406 143 H N -1.016 118.138 119.070 0.140 0.000 2.834 143 H HA 0.799 5.355 4.556 0.001 0.000 0.369 143 H C -1.262 174.152 175.328 0.143 0.000 1.174 143 H CA -0.562 55.569 56.048 0.138 0.000 1.165 143 H CB 1.886 31.712 29.762 0.106 0.000 1.820 143 H HN 0.586 nan 8.280 nan 0.000 0.558 144 L N 1.823 123.219 121.223 0.287 0.000 2.436 144 L HA 0.638 4.978 4.340 0.001 0.000 0.268 144 L C -1.418 175.648 176.870 0.327 0.000 0.974 144 L CA -0.781 54.224 54.840 0.277 0.000 0.826 144 L CB 1.783 43.971 42.059 0.214 0.000 1.291 144 L HN 0.573 nan 8.230 nan 0.000 0.406 145 V N 0.601 120.703 119.914 0.313 0.000 2.823 145 V HA 0.600 4.721 4.120 0.001 0.000 0.312 145 V C -0.910 175.318 176.094 0.224 0.000 1.072 145 V CA -0.597 61.859 62.300 0.260 0.000 0.937 145 V CB 1.741 33.652 31.823 0.147 0.000 1.013 145 V HN 0.914 nan 8.190 nan 0.000 0.430 146 H N 2.463 121.512 119.070 -0.034 0.000 2.504 146 H HA 0.742 5.299 4.556 0.000 0.000 0.322 146 H C -1.746 173.430 175.328 -0.254 0.000 1.055 146 H CA -0.377 55.421 56.048 -0.417 0.000 1.231 146 H CB 1.902 31.157 29.762 -0.844 0.000 1.417 146 H HN 0.649 nan 8.280 nan 0.000 0.472 147 V N 5.490 125.012 119.914 -0.653 0.000 2.443 147 V HA 0.032 4.152 4.120 0.001 0.000 0.293 147 V C -0.708 175.045 176.094 -0.567 0.000 1.021 147 V CA -0.797 61.239 62.300 -0.439 0.000 0.848 147 V CB 1.354 33.053 31.823 -0.207 0.000 0.998 147 V HN 1.094 nan 8.190 nan 0.000 0.424 148 D N 3.556 123.681 120.400 -0.460 0.000 2.755 148 D HA -0.284 4.356 4.640 0.001 0.000 0.227 148 D C 0.528 176.626 176.300 -0.338 0.000 1.211 148 D CA 1.288 55.100 54.000 -0.313 0.000 0.663 148 D CB -1.336 39.364 40.800 -0.166 0.000 0.983 148 D HN 0.895 nan 8.370 nan 0.000 0.407 149 K N -2.689 117.427 120.400 -0.473 0.000 3.615 149 K HA -0.285 4.036 4.320 0.001 0.000 0.269 149 K C 0.584 177.029 176.600 -0.259 0.000 1.107 149 K CA 1.451 57.647 56.287 -0.153 0.000 1.059 149 K CB -0.755 31.712 32.500 -0.054 0.000 1.317 149 K HN 0.554 nan 8.250 nan 0.000 0.494 150 R N 0.302 120.529 120.500 -0.456 0.000 2.297 150 R HA 0.201 4.541 4.340 0.001 0.000 0.308 150 R C -0.974 175.140 176.300 -0.310 0.000 1.029 150 R CA -0.376 55.576 56.100 -0.246 0.000 0.929 150 R CB 0.484 30.690 30.300 -0.156 0.000 1.046 150 R HN 0.029 nan 8.270 nan 0.000 0.461 151 W N 3.867 125.223 121.300 0.093 0.000 2.332 151 W HA 0.291 4.952 4.660 0.001 0.000 0.306 151 W C -0.469 176.096 176.519 0.076 0.000 1.149 151 W CA -0.574 56.847 57.345 0.126 0.000 1.271 151 W CB 1.342 30.877 29.460 0.125 0.000 1.243 151 W HN 0.118 nan 8.180 nan 0.000 0.459 152 V N 4.292 124.367 119.914 0.269 0.000 2.347 152 V HA 0.300 4.421 4.120 0.001 0.000 0.280 152 V C 0.200 176.423 176.094 0.215 0.000 1.021 152 V CA -1.029 61.383 62.300 0.186 0.000 0.847 152 V CB 0.815 32.697 31.823 0.098 0.000 0.990 152 V HN 0.548 nan 8.190 nan 0.000 0.444 153 S N 5.913 121.735 115.700 0.202 0.000 2.584 153 S HA 0.724 5.194 4.470 0.001 0.000 0.273 153 S C -0.468 174.229 174.600 0.161 0.000 1.311 153 S CA -0.701 57.610 58.200 0.184 0.000 1.034 153 S CB 1.126 64.424 63.200 0.164 0.000 0.939 153 S HN 0.533 nan 8.310 nan 0.000 0.513 154 L N 2.520 123.847 121.223 0.173 0.000 2.433 154 L HA 0.402 4.742 4.340 0.001 0.000 0.256 154 L C -2.606 174.368 176.870 0.173 0.000 1.063 154 L CA -1.898 53.036 54.840 0.157 0.000 0.922 154 L CB 1.130 43.282 42.059 0.155 0.000 1.238 154 L HN 0.443 nan 8.230 nan 0.000 0.466 155 P HA 0.505 nan 4.420 nan 0.000 0.274 155 P C 0.023 177.398 177.300 0.125 0.000 1.246 155 P CA -0.240 62.941 63.100 0.134 0.000 0.795 155 P CB 1.253 33.017 31.700 0.106 0.000 1.006 156 G N -0.280 108.590 108.800 0.118 0.000 2.488 156 G HA2 0.324 4.284 3.960 0.001 0.000 0.301 156 G HA3 0.324 4.284 3.960 0.001 0.000 0.301 156 G C -1.318 173.647 174.900 0.107 0.000 1.339 156 G CA -0.459 44.706 45.100 0.109 0.000 0.803 156 G HN 0.307 nan 8.290 nan 0.000 0.482 157 E N 0.477 120.755 120.200 0.129 0.000 3.105 157 E HA 0.240 4.590 4.350 0.001 0.000 0.219 157 E C 1.443 178.172 176.600 0.215 0.000 1.064 157 E CA 0.061 56.586 56.400 0.208 0.000 1.342 157 E CB 0.790 30.615 29.700 0.209 0.000 1.295 157 E HN 0.630 nan 8.360 nan 0.000 0.438 158 G N 0.382 109.266 108.800 0.141 0.000 2.598 158 G HA2 -0.144 3.817 3.960 0.001 0.000 0.215 158 G HA3 -0.144 3.817 3.960 0.001 0.000 0.215 158 G C 1.314 176.338 174.900 0.207 0.000 1.131 158 G CA 0.559 45.756 45.100 0.162 0.000 0.785 158 G HN 0.381 nan 8.290 nan 0.000 0.539 159 G N -0.722 108.083 108.800 0.009 0.000 2.848 159 G HA2 0.016 3.976 3.960 0.001 0.000 0.208 159 G HA3 0.016 3.976 3.960 0.001 0.000 0.208 159 G C 1.097 175.810 174.900 -0.311 0.000 1.152 159 G CA 0.071 45.063 45.100 -0.179 0.000 0.789 159 G HN 0.576 nan 8.290 nan 0.000 0.531 160 H N -0.158 118.994 119.070 0.137 0.000 2.594 160 H HA 0.156 4.712 4.556 0.001 0.000 0.279 160 H C 1.313 176.767 175.328 0.210 0.000 1.042 160 H CA -0.094 56.042 56.048 0.147 0.000 1.177 160 H CB 0.116 29.936 29.762 0.096 0.000 1.524 160 H HN 0.277 nan 8.280 nan 0.000 0.537 161 V N 0.031 120.111 119.914 0.277 0.000 3.237 161 V HA 0.036 4.156 4.120 0.001 0.000 0.305 161 V C 0.424 176.701 176.094 0.305 0.000 1.096 161 V CA -0.785 61.671 62.300 0.260 0.000 1.130 161 V CB 0.851 32.797 31.823 0.205 0.000 1.048 161 V HN -0.008 nan 8.190 nan 0.000 0.484 162 D N 1.470 122.038 120.400 0.279 0.000 2.443 162 D HA 0.147 4.787 4.640 0.001 0.000 0.239 162 D C -0.268 176.153 176.300 0.202 0.000 1.136 162 D CA 0.119 54.247 54.000 0.213 0.000 0.879 162 D CB 0.516 41.407 40.800 0.152 0.000 1.195 162 D HN 0.650 nan 8.370 nan 0.000 0.443 163 F N 1.469 121.414 119.950 -0.009 0.000 2.538 163 F HA 0.304 4.831 4.527 0.001 0.000 0.371 163 F C -0.080 175.731 175.800 0.019 0.000 1.087 163 F CA -1.526 56.483 58.000 0.014 0.000 1.250 163 F CB 0.363 39.347 39.000 -0.027 0.000 1.110 163 F HN 0.259 nan 8.300 nan 0.000 0.570 164 A N 9.114 131.736 122.820 -0.330 0.000 2.690 164 A HA 0.462 4.782 4.320 0.001 0.000 0.342 164 A C -2.464 174.671 177.584 -0.747 0.000 1.410 164 A CA -1.558 50.215 52.037 -0.440 0.000 0.958 164 A CB -0.898 18.017 19.000 -0.141 0.000 1.153 164 A HN 0.587 nan 8.150 nan 0.000 0.497 165 P HA 0.041 nan 4.420 nan 0.000 0.267 165 P C -0.189 176.947 177.300 -0.274 0.000 1.200 165 P CA 0.162 62.861 63.100 -0.669 0.000 0.772 165 P CB 0.849 32.269 31.700 -0.466 0.000 0.855 166 N N -0.331 118.293 118.700 -0.127 0.000 2.200 166 N HA 0.078 4.818 4.740 0.001 0.000 0.224 166 N C -0.499 174.994 175.510 -0.028 0.000 1.179 166 N CA -0.149 52.863 53.050 -0.062 0.000 0.877 166 N CB 0.404 38.875 38.487 -0.026 0.000 1.072 166 N HN 0.478 nan 8.380 nan 0.000 0.519 167 S N -2.277 113.410 115.700 -0.021 0.000 2.672 167 S HA 0.322 4.792 4.470 0.001 0.000 0.271 167 S C 0.495 175.094 174.600 -0.003 0.000 1.171 167 S CA -0.724 57.473 58.200 -0.004 0.000 0.817 167 S CB 1.099 64.309 63.200 0.016 0.000 1.150 167 S HN -0.019 nan 8.310 nan 0.000 0.478 168 E N 0.529 120.731 120.200 0.003 0.000 2.110 168 E HA -0.173 4.177 4.350 0.001 0.000 0.193 168 E C 1.702 178.312 176.600 0.017 0.000 0.988 168 E CA 1.393 57.796 56.400 0.005 0.000 0.804 168 E CB -0.071 29.632 29.700 0.005 0.000 0.745 168 E HN 0.704 nan 8.360 nan 0.000 0.458 169 E N 0.806 121.022 120.200 0.028 0.000 2.015 169 E HA -0.205 4.146 4.350 0.001 0.000 0.191 169 E C 1.900 178.538 176.600 0.064 0.000 0.991 169 E CA 0.913 57.338 56.400 0.040 0.000 0.802 169 E CB 0.112 29.839 29.700 0.045 0.000 0.759 169 E HN 0.231 nan 8.360 nan 0.000 0.447 170 E N 0.249 120.501 120.200 0.087 0.000 2.130 170 E HA -0.246 4.104 4.350 0.001 0.000 0.196 170 E C 2.025 178.701 176.600 0.127 0.000 0.998 170 E CA 0.963 57.458 56.400 0.157 0.000 0.806 170 E CB -0.182 29.609 29.700 0.152 0.000 0.738 170 E HN 0.312 nan 8.360 nan 0.000 0.459 171 A N 1.314 124.156 122.820 0.037 0.000 1.877 171 A HA -0.175 4.145 4.320 0.001 0.000 0.216 171 A C 2.216 179.822 177.584 0.038 0.000 1.186 171 A CA 1.176 53.219 52.037 0.009 0.000 0.620 171 A CB -0.600 18.390 19.000 -0.017 0.000 0.822 171 A HN 0.126 nan 8.150 nan 0.000 0.443 172 I N -0.309 120.284 120.570 0.038 0.000 2.226 172 I HA -0.271 3.900 4.170 0.001 0.000 0.245 172 I C 2.276 178.422 176.117 0.049 0.000 1.100 172 I CA 1.301 62.621 61.300 0.034 0.000 1.374 172 I CB -0.280 37.733 38.000 0.022 0.000 1.057 172 I HN 0.313 nan 8.210 nan 0.000 0.413 173 I N -0.126 120.490 120.570 0.077 0.000 2.179 173 I HA -0.307 3.863 4.170 0.001 0.000 0.242 173 I C 2.483 178.675 176.117 0.126 0.000 1.088 173 I CA 1.141 62.496 61.300 0.091 0.000 1.357 173 I CB -0.374 37.691 38.000 0.108 0.000 1.051 173 I HN 0.241 nan 8.210 nan 0.000 0.409 174 L N 1.302 122.651 121.223 0.209 0.000 1.990 174 L HA -0.281 4.059 4.340 0.001 0.000 0.213 174 L C 2.444 179.370 176.870 0.092 0.000 1.072 174 L CA 2.357 57.318 54.840 0.202 0.000 0.755 174 L CB -0.737 41.414 42.059 0.153 0.000 0.889 174 L HN 0.257 nan 8.230 nan 0.000 0.432 175 E N -0.242 119.993 120.200 0.059 0.000 2.106 175 E HA -0.204 4.146 4.350 0.001 0.000 0.192 175 E C 2.062 178.680 176.600 0.029 0.000 0.984 175 E CA 1.819 58.240 56.400 0.035 0.000 0.806 175 E CB -0.488 29.226 29.700 0.022 0.000 0.750 175 E HN 0.652 nan 8.360 nan 0.000 0.458 176 I N 0.092 120.679 120.570 0.028 0.000 2.208 176 I HA -0.279 3.891 4.170 0.001 0.000 0.245 176 I C 2.211 178.338 176.117 0.017 0.000 1.097 176 I CA 1.035 62.345 61.300 0.016 0.000 1.363 176 I CB -0.154 37.850 38.000 0.007 0.000 1.051 176 I HN 0.189 nan 8.210 nan 0.000 0.413 177 L N -0.246 120.992 121.223 0.026 0.000 2.109 177 L HA -0.145 4.196 4.340 0.001 0.000 0.207 177 L C 2.721 179.606 176.870 0.024 0.000 1.086 177 L CA 0.899 55.750 54.840 0.020 0.000 0.760 177 L CB -0.562 41.506 42.059 0.014 0.000 0.910 177 L HN 0.189 nan 8.230 nan 0.000 0.437 178 R N 0.666 121.185 120.500 0.030 0.000 2.091 178 R HA -0.209 4.132 4.340 0.001 0.000 0.238 178 R C 2.219 178.536 176.300 0.027 0.000 1.136 178 R CA 1.665 57.783 56.100 0.029 0.000 0.959 178 R CB -0.232 30.085 30.300 0.028 0.000 0.856 178 R HN 0.352 nan 8.270 nan 0.000 0.437 179 A N 0.615 123.448 122.820 0.022 0.000 1.969 179 A HA -0.160 4.160 4.320 0.001 0.000 0.218 179 A C 1.838 179.433 177.584 0.018 0.000 1.169 179 A CA 1.475 53.523 52.037 0.019 0.000 0.635 179 A CB -0.210 18.799 19.000 0.014 0.000 0.810 179 A HN 0.503 nan 8.150 nan 0.000 0.445 180 E N -1.312 118.899 120.200 0.018 0.000 2.042 180 E HA 0.098 4.449 4.350 0.001 0.000 0.189 180 E C -0.196 176.419 176.600 0.024 0.000 0.974 180 E CA 0.358 56.769 56.400 0.018 0.000 0.806 180 E CB 0.042 29.751 29.700 0.015 0.000 0.769 180 E HN 0.459 nan 8.360 nan 0.000 0.451 181 I N -0.236 120.351 120.570 0.028 0.000 2.707 181 I HA 0.234 4.404 4.170 0.001 0.000 0.309 181 I C 0.984 177.130 176.117 0.048 0.000 1.001 181 I CA -0.318 61.005 61.300 0.038 0.000 1.129 181 I CB 1.478 39.500 38.000 0.036 0.000 1.308 181 I HN 0.020 nan 8.210 nan 0.000 0.466 182 G N 2.891 111.731 108.800 0.066 0.000 3.107 182 G HA2 -0.055 3.905 3.960 0.001 0.000 0.155 182 G HA3 -0.055 3.905 3.960 0.001 0.000 0.155 182 G C 0.286 175.250 174.900 0.107 0.000 1.875 182 G CA 0.036 45.185 45.100 0.082 0.000 1.004 182 G HN 0.715 nan 8.290 nan 0.000 0.480 183 H N -0.012 119.085 119.070 0.045 0.000 3.173 183 H HA -0.002 4.555 4.556 0.001 0.000 0.311 183 H C -0.684 174.690 175.328 0.077 0.000 0.972 183 H CA 0.310 56.394 56.048 0.059 0.000 1.384 183 H CB 0.164 29.960 29.762 0.056 0.000 1.349 183 H HN -0.041 nan 8.280 nan 0.000 0.582 184 V N 6.931 126.577 119.914 -0.447 0.000 2.333 184 V HA 0.088 4.208 4.120 0.001 0.000 0.274 184 V C 0.501 176.370 176.094 -0.374 0.000 1.028 184 V CA -0.344 61.804 62.300 -0.253 0.000 0.851 184 V CB 0.891 32.696 31.823 -0.031 0.000 1.000 184 V HN 0.851 nan 8.190 nan 0.000 0.456 185 S N 4.330 119.956 115.700 -0.124 0.000 2.669 185 S HA 0.609 5.080 4.470 0.001 0.000 0.270 185 S C 1.473 176.114 174.600 0.070 0.000 1.225 185 S CA 0.018 58.275 58.200 0.095 0.000 0.991 185 S CB 1.712 65.070 63.200 0.264 0.000 0.987 185 S HN 0.934 nan 8.310 nan 0.000 0.552 186 A N 0.277 123.161 122.820 0.105 0.000 1.940 186 A HA -0.151 4.170 4.320 0.001 0.000 0.219 186 A C 2.085 179.561 177.584 -0.181 0.000 1.176 186 A CA 1.883 53.907 52.037 -0.022 0.000 0.631 186 A CB -1.198 17.770 19.000 -0.054 0.000 0.814 186 A HN 1.006 nan 8.150 nan 0.000 0.446 187 E N -0.644 119.468 120.200 -0.147 0.000 2.150 187 E HA -0.211 4.140 4.350 0.001 0.000 0.193 187 E C 1.991 178.541 176.600 -0.083 0.000 0.985 187 E CA 0.755 57.065 56.400 -0.150 0.000 0.814 187 E CB -0.070 29.530 29.700 -0.167 0.000 0.752 187 E HN 0.409 nan 8.360 nan 0.000 0.466 188 R N -0.617 119.845 120.500 -0.064 0.000 2.316 188 R HA -0.084 4.256 4.340 0.001 0.000 0.232 188 R C 1.412 177.630 176.300 -0.138 0.000 1.137 188 R CA 0.845 56.901 56.100 -0.073 0.000 1.012 188 R CB 0.125 30.384 30.300 -0.068 0.000 0.859 188 R HN 0.132 nan 8.270 nan 0.000 0.474 189 V N -1.677 118.117 119.914 -0.199 0.000 3.332 189 V HA 0.202 4.323 4.120 0.001 0.000 0.263 189 V C -0.188 175.866 176.094 -0.066 0.000 1.562 189 V CA -0.116 62.046 62.300 -0.231 0.000 1.040 189 V CB 0.609 32.069 31.823 -0.605 0.000 0.857 189 V HN 0.023 nan 8.190 nan 0.000 0.428 190 L N 2.083 123.252 121.223 -0.090 0.000 2.599 190 L HA 0.608 4.948 4.340 0.001 0.000 0.241 190 L C -0.296 176.626 176.870 0.086 0.000 1.207 190 L CA 0.214 55.044 54.840 -0.017 0.000 0.987 190 L CB 0.679 42.571 42.059 -0.278 0.000 1.318 190 L HN 0.458 nan 8.230 nan 0.000 0.458 191 S N -1.490 114.345 115.700 0.224 0.000 2.656 191 S HA 0.322 4.793 4.470 0.001 0.000 0.265 191 S C 0.611 175.251 174.600 0.066 0.000 1.110 191 S CA -0.262 58.017 58.200 0.132 0.000 0.821 191 S CB 0.806 64.030 63.200 0.040 0.000 1.099 191 S HN 0.293 nan 8.310 nan 0.000 0.471 192 G N 1.061 109.870 108.800 0.014 0.000 2.545 192 G HA2 -0.036 3.924 3.960 0.001 0.000 0.217 192 G HA3 -0.036 3.924 3.960 0.001 0.000 0.217 192 G C -0.994 173.881 174.900 -0.043 0.000 1.218 192 G CA 1.585 46.661 45.100 -0.041 0.000 0.787 192 G HN 0.629 nan 8.290 nan 0.000 0.571 193 P HA -0.054 nan 4.420 nan 0.000 0.217 193 P C 2.064 179.357 177.300 -0.011 0.000 1.148 193 P CA 1.690 64.783 63.100 -0.013 0.000 0.828 193 P CB -0.459 31.243 31.700 0.003 0.000 0.783 194 G N -0.085 108.713 108.800 -0.003 0.000 2.418 194 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 194 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 194 G C 1.525 176.425 174.900 0.000 0.000 1.158 194 G CA 0.280 45.378 45.100 -0.004 0.000 0.771 194 G HN 0.243 nan 8.290 nan 0.000 0.545 195 L N 0.477 121.682 121.223 -0.029 0.000 2.079 195 L HA -0.104 4.237 4.340 0.001 0.000 0.210 195 L C 2.951 179.795 176.870 -0.043 0.000 1.081 195 L CA 0.920 55.704 54.840 -0.094 0.000 0.752 195 L CB -0.162 41.727 42.059 -0.283 0.000 0.896 195 L HN 0.152 nan 8.230 nan 0.000 0.433 196 V N -0.119 119.777 119.914 -0.031 0.000 2.427 196 V HA -0.249 3.871 4.120 0.001 0.000 0.248 196 V C 2.167 178.312 176.094 0.085 0.000 1.051 196 V CA 1.579 63.898 62.300 0.032 0.000 1.048 196 V CB -0.704 31.117 31.823 -0.003 0.000 0.666 196 V HN 0.511 nan 8.190 nan 0.000 0.456 197 N N 0.276 118.994 118.700 0.029 0.000 2.142 197 N HA -0.073 4.667 4.740 0.001 0.000 0.186 197 N C 1.824 177.336 175.510 0.003 0.000 1.023 197 N CA 1.255 54.311 53.050 0.010 0.000 0.852 197 N CB -0.343 38.130 38.487 -0.023 0.000 0.998 197 N HN 0.382 nan 8.380 nan 0.000 0.424 198 L N -0.142 121.085 121.223 0.007 0.000 1.994 198 L HA -0.226 4.115 4.340 0.001 0.000 0.208 198 L C 2.382 179.265 176.870 0.022 0.000 1.071 198 L CA 1.365 56.210 54.840 0.008 0.000 0.745 198 L CB -0.675 41.400 42.059 0.027 0.000 0.892 198 L HN 0.161 nan 8.230 nan 0.000 0.431 199 Y N 1.171 121.442 120.300 -0.047 0.000 2.030 199 Y HA -0.342 4.209 4.550 0.001 0.000 0.274 199 Y C 2.808 178.691 175.900 -0.029 0.000 1.153 199 Y CA 1.748 59.821 58.100 -0.045 0.000 1.115 199 Y CB -0.399 38.023 38.460 -0.064 0.000 0.969 199 Y HN -0.040 nan 8.280 nan 0.000 0.488 200 R N 0.173 120.549 120.500 -0.207 0.000 2.096 200 R HA -0.209 4.132 4.340 0.001 0.000 0.240 200 R C 2.554 178.727 176.300 -0.212 0.000 1.139 200 R CA 1.481 57.427 56.100 -0.256 0.000 0.952 200 R CB -0.810 29.474 30.300 -0.026 0.000 0.854 200 R HN 0.529 nan 8.270 nan 0.000 0.436 201 A N 1.060 123.809 122.820 -0.119 0.000 1.902 201 A HA -0.138 4.182 4.320 0.001 0.000 0.217 201 A C 2.166 179.692 177.584 -0.097 0.000 1.181 201 A CA 1.210 53.200 52.037 -0.077 0.000 0.623 201 A CB -0.467 18.513 19.000 -0.033 0.000 0.818 201 A HN 0.190 nan 8.150 nan 0.000 0.443 202 I N -0.375 120.121 120.570 -0.123 0.000 2.163 202 I HA -0.248 3.922 4.170 0.001 0.000 0.243 202 I C 2.363 178.390 176.117 -0.149 0.000 1.085 202 I CA 1.379 62.612 61.300 -0.110 0.000 1.347 202 I CB -0.318 37.628 38.000 -0.090 0.000 1.044 202 I HN 0.168 nan 8.210 nan 0.000 0.408 203 V N 0.491 120.243 119.914 -0.270 0.000 2.343 203 V HA -0.295 3.825 4.120 0.001 0.000 0.247 203 V C 2.432 178.439 176.094 -0.144 0.000 1.051 203 V CA 1.804 63.959 62.300 -0.242 0.000 1.036 203 V CB -0.667 30.914 31.823 -0.404 0.000 0.654 203 V HN 0.360 nan 8.190 nan 0.000 0.451 204 K N -0.055 120.264 120.400 -0.135 0.000 2.147 204 K HA -0.121 4.200 4.320 0.001 0.000 0.205 204 K C 2.131 178.699 176.600 -0.052 0.000 1.049 204 K CA 1.334 57.574 56.287 -0.078 0.000 0.936 204 K CB -0.284 32.177 32.500 -0.064 0.000 0.722 204 K HN 0.489 nan 8.250 nan 0.000 0.446 205 A N 0.454 123.243 122.820 -0.051 0.000 2.119 205 A HA -0.123 4.197 4.320 0.001 0.000 0.217 205 A C 1.366 178.935 177.584 -0.026 0.000 1.153 205 A CA 1.550 53.569 52.037 -0.029 0.000 0.692 205 A CB -0.014 18.974 19.000 -0.020 0.000 0.799 205 A HN 0.240 nan 8.150 nan 0.000 0.458 206 D N -0.606 119.773 120.400 -0.036 0.000 2.395 206 D HA 0.070 4.710 4.640 0.001 0.000 0.213 206 D C -0.108 176.177 176.300 -0.026 0.000 1.110 206 D CA 0.060 54.044 54.000 -0.027 0.000 0.835 206 D CB -0.218 40.565 40.800 -0.030 0.000 0.965 206 D HN 0.341 nan 8.370 nan 0.000 0.505 207 N N 0.552 119.234 118.700 -0.030 0.000 2.776 207 N HA -0.190 4.550 4.740 0.001 0.000 0.249 207 N C -0.223 175.271 175.510 -0.025 0.000 1.111 207 N CA 0.552 53.587 53.050 -0.024 0.000 0.711 207 N CB -1.013 37.465 38.487 -0.015 0.000 1.065 207 N HN 0.382 nan 8.380 nan 0.000 0.556 208 R N -0.246 120.232 120.500 -0.037 0.000 2.810 208 R HA 0.594 4.934 4.340 0.001 0.000 0.245 208 R C -0.144 176.131 176.300 -0.040 0.000 1.168 208 R CA -0.869 55.211 56.100 -0.033 0.000 1.096 208 R CB 0.764 31.044 30.300 -0.034 0.000 1.259 208 R HN -0.070 nan 8.270 nan 0.000 0.518 209 L N 3.165 124.373 121.223 -0.026 0.000 2.287 209 L HA 0.436 4.777 4.340 0.001 0.000 0.287 209 L C -2.131 174.732 176.870 -0.011 0.000 1.022 209 L CA -2.466 52.363 54.840 -0.019 0.000 0.814 209 L CB 1.044 43.102 42.059 -0.001 0.000 1.217 209 L HN 0.503 nan 8.230 nan 0.000 0.420 210 P HA 0.149 nan 4.420 nan 0.000 0.271 210 P C -0.220 177.181 177.300 0.169 0.000 1.216 210 P CA -0.406 62.704 63.100 0.017 0.000 0.776 210 P CB 1.106 32.756 31.700 -0.082 0.000 0.881 211 E N 1.836 122.213 120.200 0.296 0.000 2.374 211 E HA 0.029 4.380 4.350 0.001 0.000 0.260 211 E C 0.358 177.041 176.600 0.139 0.000 1.101 211 E CA -0.272 56.225 56.400 0.162 0.000 0.907 211 E CB 0.405 30.157 29.700 0.088 0.000 1.014 211 E HN 0.298 nan 8.360 nan 0.000 0.427 212 N N 3.063 121.794 118.700 0.051 0.000 3.103 212 N HA 0.035 4.776 4.740 0.001 0.000 0.305 212 N C -0.556 174.926 175.510 -0.046 0.000 1.232 212 N CA 0.135 53.196 53.050 0.019 0.000 1.190 212 N CB -0.724 37.769 38.487 0.009 0.000 1.461 212 N HN 0.273 nan 8.380 nan 0.000 0.538 213 L N 0.721 121.872 121.223 -0.120 0.000 2.439 213 L HA 0.317 4.658 4.340 0.001 0.000 0.261 213 L C 0.982 177.751 176.870 -0.169 0.000 1.153 213 L CA -0.363 54.341 54.840 -0.227 0.000 0.808 213 L CB 0.694 42.444 42.059 -0.515 0.000 1.126 213 L HN 0.139 nan 8.230 nan 0.000 0.460 214 K N 1.220 121.522 120.400 -0.163 0.000 2.221 214 K HA 0.320 4.640 4.320 0.001 0.000 0.243 214 K C -1.755 174.753 176.600 -0.154 0.000 0.968 214 K CA -1.688 54.523 56.287 -0.126 0.000 0.846 214 K CB 1.818 34.262 32.500 -0.094 0.000 1.141 214 K HN 0.150 nan 8.250 nan 0.000 0.434 215 P HA -0.238 nan 4.420 nan 0.000 0.216 215 P C 0.447 177.648 177.300 -0.166 0.000 1.154 215 P CA 1.554 64.561 63.100 -0.155 0.000 0.865 215 P CB 0.232 31.860 31.700 -0.119 0.000 0.789 216 K N -0.386 119.938 120.400 -0.125 0.000 2.074 216 K HA -0.178 4.142 4.320 0.001 0.000 0.209 216 K C 1.551 178.068 176.600 -0.137 0.000 1.048 216 K CA 1.629 57.849 56.287 -0.112 0.000 0.926 216 K CB -0.956 31.494 32.500 -0.082 0.000 0.713 216 K HN 0.294 nan 8.250 nan 0.000 0.444 217 D N 0.764 121.071 120.400 -0.154 0.000 2.178 217 D HA -0.089 4.551 4.640 0.001 0.000 0.202 217 D C 2.041 178.206 176.300 -0.225 0.000 0.974 217 D CA 0.823 54.718 54.000 -0.175 0.000 0.841 217 D CB -0.209 40.479 40.800 -0.187 0.000 0.953 217 D HN 0.178 nan 8.370 nan 0.000 0.478 218 I N 1.117 121.527 120.570 -0.266 0.000 2.202 218 I HA -0.217 3.953 4.170 0.001 0.000 0.242 218 I C 2.438 178.369 176.117 -0.310 0.000 1.091 218 I CA 1.079 62.200 61.300 -0.298 0.000 1.368 218 I CB -0.362 37.458 38.000 -0.299 0.000 1.058 218 I HN -0.083 nan 8.210 nan 0.000 0.410 219 T N 0.638 114.993 114.554 -0.332 0.000 2.607 219 T HA -0.284 4.066 4.350 0.001 0.000 0.267 219 T C 1.737 176.291 174.700 -0.243 0.000 1.049 219 T CA 2.167 64.050 62.100 -0.362 0.000 1.162 219 T CB -0.510 68.216 68.868 -0.237 0.000 0.863 219 T HN 0.602 nan 8.240 nan 0.000 0.424 220 E N 1.202 121.305 120.200 -0.161 0.000 2.106 220 E HA -0.118 4.233 4.350 0.001 0.000 0.192 220 E C 2.198 178.744 176.600 -0.090 0.000 0.984 220 E CA 1.031 57.372 56.400 -0.100 0.000 0.806 220 E CB -0.248 29.407 29.700 -0.075 0.000 0.750 220 E HN 0.380 nan 8.360 nan 0.000 0.458 221 R N 0.330 120.761 120.500 -0.115 0.000 2.153 221 R HA 0.130 4.470 4.340 0.001 0.000 0.218 221 R C 2.319 178.575 176.300 -0.074 0.000 1.072 221 R CA 0.933 56.982 56.100 -0.086 0.000 0.990 221 R CB -0.134 30.108 30.300 -0.097 0.000 0.889 221 R HN 0.312 nan 8.270 nan 0.000 0.452 222 A N 1.012 123.749 122.820 -0.138 0.000 1.898 222 A HA -0.028 4.292 4.320 0.001 0.000 0.214 222 A C 2.032 179.588 177.584 -0.046 0.000 1.183 222 A CA 0.684 52.635 52.037 -0.144 0.000 0.622 222 A CB -0.342 18.427 19.000 -0.384 0.000 0.824 222 A HN 0.173 nan 8.150 nan 0.000 0.444 223 L N -0.724 120.449 121.223 -0.083 0.000 2.265 223 L HA -0.154 4.186 4.340 0.001 0.000 0.215 223 L C 2.711 179.632 176.870 0.084 0.000 1.117 223 L CA 0.839 55.717 54.840 0.064 0.000 0.782 223 L CB -0.144 41.936 42.059 0.036 0.000 0.914 223 L HN 0.468 nan 8.230 nan 0.000 0.441 224 A N -2.082 120.760 122.820 0.037 0.000 2.095 224 A HA -0.086 4.234 4.320 0.001 0.000 0.212 224 A C 1.148 178.761 177.584 0.048 0.000 1.162 224 A CA 0.616 52.675 52.037 0.035 0.000 0.753 224 A CB 0.120 19.125 19.000 0.008 0.000 0.840 224 A HN 0.422 nan 8.150 nan 0.000 0.468 225 D N -0.944 119.492 120.400 0.061 0.000 3.076 225 D HA -0.158 4.482 4.640 0.001 0.000 0.218 225 D C 1.241 177.565 176.300 0.039 0.000 1.156 225 D CA 1.178 55.217 54.000 0.064 0.000 0.921 225 D CB -1.400 39.442 40.800 0.069 0.000 1.113 225 D HN 0.592 nan 8.370 nan 0.000 0.418 226 S N -1.504 114.209 115.700 0.022 0.000 2.489 226 S HA 0.047 4.518 4.470 0.001 0.000 0.228 226 S C 0.968 175.577 174.600 0.016 0.000 0.995 226 S CA 0.527 58.735 58.200 0.013 0.000 0.934 226 S CB 0.525 63.724 63.200 -0.001 0.000 0.771 226 S HN 0.520 nan 8.310 nan 0.000 0.522 227 C N 2.435 121.747 119.300 0.020 0.000 2.505 227 C HA 0.623 5.083 4.460 0.001 0.000 0.342 227 C C 1.561 176.581 174.990 0.050 0.000 1.121 227 C CA 0.004 59.043 59.018 0.035 0.000 1.306 227 C CB 0.465 28.223 27.740 0.031 0.000 1.897 227 C HN 0.589 nan 8.230 nan 0.000 0.446 228 T N 0.165 114.752 114.554 0.055 0.000 3.035 228 T HA -0.065 4.286 4.350 0.001 0.000 0.268 228 T C 0.953 175.692 174.700 0.065 0.000 1.109 228 T CA 1.664 63.799 62.100 0.059 0.000 1.119 228 T CB -0.178 68.719 68.868 0.048 0.000 0.900 228 T HN 0.741 nan 8.240 nan 0.000 0.503 229 D N 0.841 121.288 120.400 0.079 0.000 2.144 229 D HA -0.004 4.636 4.640 0.001 0.000 0.200 229 D C 2.149 178.538 176.300 0.149 0.000 0.978 229 D CA 0.680 54.738 54.000 0.097 0.000 0.833 229 D CB -0.603 40.266 40.800 0.116 0.000 0.961 229 D HN 0.455 nan 8.370 nan 0.000 0.470 230 C N 0.764 120.142 119.300 0.130 0.000 2.475 230 C HA 0.031 4.491 4.460 0.001 0.000 0.279 230 C C 2.551 177.521 174.990 -0.034 0.000 1.322 230 C CA -0.089 58.953 59.018 0.040 0.000 1.734 230 C CB -0.511 27.196 27.740 -0.054 0.000 2.005 230 C HN 0.306 nan 8.230 nan 0.000 0.495 231 R N 1.421 121.931 120.500 0.017 0.000 2.115 231 R HA -0.069 4.271 4.340 0.001 0.000 0.230 231 R C 2.151 178.522 176.300 0.119 0.000 1.111 231 R CA 1.440 57.582 56.100 0.070 0.000 0.976 231 R CB -0.394 29.997 30.300 0.151 0.000 0.870 231 R HN 0.454 nan 8.270 nan 0.000 0.445 232 R N 0.330 120.885 120.500 0.091 0.000 2.075 232 R HA 0.086 4.426 4.340 0.001 0.000 0.226 232 R C 2.186 178.537 176.300 0.085 0.000 1.114 232 R CA 1.453 57.612 56.100 0.099 0.000 0.972 232 R CB -0.436 29.909 30.300 0.075 0.000 0.869 232 R HN 0.228 nan 8.270 nan 0.000 0.437 233 A N 1.311 124.164 122.820 0.055 0.000 1.849 233 A HA -0.217 4.103 4.320 0.001 0.000 0.217 233 A C 2.146 179.732 177.584 0.003 0.000 1.202 233 A CA 1.680 53.738 52.037 0.036 0.000 0.629 233 A CB -1.123 17.899 19.000 0.038 0.000 0.834 233 A HN 0.387 nan 8.150 nan 0.000 0.447 234 L N -0.388 120.748 121.223 -0.145 0.000 2.081 234 L HA -0.189 4.151 4.340 0.001 0.000 0.212 234 L C 2.740 179.642 176.870 0.054 0.000 1.080 234 L CA 2.276 56.930 54.840 -0.310 0.000 0.754 234 L CB -0.641 40.928 42.059 -0.818 0.000 0.893 234 L HN 0.456 nan 8.230 nan 0.000 0.433 235 S N -0.497 115.326 115.700 0.205 0.000 2.368 235 S HA -0.096 4.374 4.470 0.001 0.000 0.224 235 S C 1.892 176.655 174.600 0.271 0.000 1.029 235 S CA 0.731 59.151 58.200 0.367 0.000 0.988 235 S CB 0.033 63.417 63.200 0.307 0.000 0.838 235 S HN 0.329 nan 8.310 nan 0.000 0.462 236 L N -0.034 121.314 121.223 0.210 0.000 2.109 236 L HA -0.047 4.293 4.340 0.001 0.000 0.207 236 L C 2.144 179.144 176.870 0.217 0.000 1.086 236 L CA 1.197 56.149 54.840 0.185 0.000 0.760 236 L CB -0.589 41.557 42.059 0.144 0.000 0.910 236 L HN 0.370 nan 8.230 nan 0.000 0.437 237 F N 0.715 120.718 119.950 0.089 0.000 2.087 237 F HA -0.355 4.172 4.527 0.001 0.000 0.299 237 F C 2.595 178.533 175.800 0.229 0.000 1.100 237 F CA 2.084 60.145 58.000 0.103 0.000 1.226 237 F CB -0.469 38.547 39.000 0.028 0.000 0.983 237 F HN 0.091 nan 8.300 nan 0.000 0.479 238 C N -0.420 119.125 119.300 0.409 0.000 2.453 238 C HA -0.122 4.339 4.460 0.001 0.000 0.277 238 C C 2.788 177.951 174.990 0.289 0.000 1.262 238 C CA 0.878 60.146 59.018 0.415 0.000 1.718 238 C CB -1.189 26.836 27.740 0.474 0.000 2.031 238 C HN 0.457 nan 8.230 nan 0.000 0.480 239 V N 1.267 121.304 119.914 0.204 0.000 2.233 239 V HA -0.179 3.941 4.120 0.001 0.000 0.247 239 V C 1.491 177.653 176.094 0.113 0.000 1.050 239 V CA 1.404 63.782 62.300 0.129 0.000 1.010 239 V CB -0.649 31.245 31.823 0.119 0.000 0.637 239 V HN 0.485 nan 8.190 nan 0.000 0.444 243 R N -0.408 120.101 120.500 0.014 0.000 2.083 243 R HA -0.010 4.330 4.340 0.001 0.000 0.237 243 R C 2.247 178.574 176.300 0.044 0.000 1.137 243 R CA 1.980 58.089 56.100 0.015 0.000 0.951 243 R CB -0.417 29.920 30.300 0.061 0.000 0.851 243 R HN 0.350 nan 8.270 nan 0.000 0.434 244 F N 0.241 120.185 119.950 -0.010 0.000 2.146 244 F HA -0.063 4.465 4.527 0.001 0.000 0.298 244 F C 2.073 177.761 175.800 -0.187 0.000 1.096 244 F CA 1.745 59.714 58.000 -0.052 0.000 1.275 244 F CB -0.501 38.514 39.000 0.025 0.000 1.008 244 F HN 0.030 nan 8.300 nan 0.000 0.480 245 G N -0.491 108.334 108.800 0.042 0.000 2.432 245 G HA2 -0.175 3.786 3.960 0.001 0.000 0.219 245 G HA3 -0.175 3.786 3.960 0.001 0.000 0.219 245 G C 1.869 176.744 174.900 -0.042 0.000 1.135 245 G CA 0.622 45.659 45.100 -0.105 0.000 0.767 245 G HN 0.590 nan 8.290 nan 0.000 0.550 246 G N 0.683 109.325 108.800 -0.263 0.000 2.408 246 G HA2 -0.175 3.786 3.960 0.001 0.000 0.217 246 G HA3 -0.175 3.786 3.960 0.001 0.000 0.217 246 G C 1.626 176.266 174.900 -0.433 0.000 1.150 246 G CA 0.925 45.560 45.100 -0.775 0.000 0.776 246 G HN 0.563 nan 8.290 nan 0.000 0.542 247 N N 0.200 118.693 118.700 -0.345 0.000 2.188 247 N HA -0.005 4.735 4.740 0.001 0.000 0.184 247 N C 2.108 177.427 175.510 -0.319 0.000 1.018 247 N CA 0.476 53.330 53.050 -0.327 0.000 0.858 247 N CB -0.171 38.107 38.487 -0.348 0.000 0.989 247 N HN 0.230 nan 8.380 nan 0.000 0.426 248 L N 0.614 121.618 121.223 -0.365 0.000 2.127 248 L HA -0.147 4.194 4.340 0.001 0.000 0.211 248 L C 2.501 179.333 176.870 -0.064 0.000 1.089 248 L CA 0.901 55.624 54.840 -0.195 0.000 0.757 248 L CB -0.499 41.433 42.059 -0.212 0.000 0.899 248 L HN 0.252 nan 8.230 nan 0.000 0.434 249 A N -0.031 122.734 122.820 -0.092 0.000 1.898 249 A HA -0.047 4.273 4.320 0.001 0.000 0.214 249 A C 2.234 179.810 177.584 -0.013 0.000 1.183 249 A CA 0.893 52.923 52.037 -0.011 0.000 0.622 249 A CB -0.486 18.522 19.000 0.013 0.000 0.824 249 A HN 0.303 nan 8.150 nan 0.000 0.444 250 L N -0.031 121.133 121.223 -0.098 0.000 2.046 250 L HA -0.195 4.146 4.340 0.001 0.000 0.208 250 L C 2.593 179.336 176.870 -0.213 0.000 1.077 250 L CA 1.554 56.283 54.840 -0.185 0.000 0.747 250 L CB -0.569 41.310 42.059 -0.300 0.000 0.896 250 L HN 0.574 nan 8.230 nan 0.000 0.432 251 N N 0.398 118.989 118.700 -0.182 0.000 2.084 251 N HA -0.189 4.551 4.740 0.001 0.000 0.190 251 N C 1.500 176.925 175.510 -0.141 0.000 1.030 251 N CA 1.318 54.263 53.050 -0.175 0.000 0.849 251 N CB 0.179 38.562 38.487 -0.173 0.000 1.012 251 N HN 0.165 nan 8.380 nan 0.000 0.423 252 L N 0.503 121.662 121.223 -0.107 0.000 2.728 252 L HA 0.341 4.681 4.340 0.001 0.000 0.238 252 L C 0.494 177.324 176.870 -0.066 0.000 1.143 252 L CA 0.384 55.169 54.840 -0.092 0.000 0.937 252 L CB -0.019 41.959 42.059 -0.135 0.000 1.225 252 L HN 0.256 nan 8.230 nan 0.000 0.507 253 G N 0.482 109.231 108.800 -0.087 0.000 2.359 253 G HA2 -0.316 3.644 3.960 0.001 0.000 0.298 253 G HA3 -0.316 3.644 3.960 0.001 0.000 0.298 253 G C 0.523 175.048 174.900 -0.625 0.000 1.030 253 G CA 0.596 45.521 45.100 -0.293 0.000 1.149 253 G HN 0.496 nan 8.290 nan 0.000 0.512 254 T N -1.822 112.496 114.554 -0.394 0.000 3.855 254 T HA 0.501 4.852 4.350 0.001 0.000 0.306 254 T C 1.233 175.887 174.700 -0.076 0.000 1.575 254 T CA -0.437 61.597 62.100 -0.110 0.000 1.214 254 T CB -0.481 68.452 68.868 0.110 0.000 1.262 254 T HN 0.299 nan 8.240 nan 0.000 0.883 255 F N 0.534 120.579 119.950 0.158 0.000 2.748 255 F HA 0.252 4.780 4.527 0.001 0.000 0.299 255 F C 2.399 178.302 175.800 0.171 0.000 1.154 255 F CA -0.279 57.793 58.000 0.120 0.000 1.446 255 F CB -0.107 38.923 39.000 0.050 0.000 1.112 255 F HN 0.560 nan 8.300 nan 0.000 0.584 256 G N 0.187 109.195 108.800 0.347 0.000 2.598 256 G HA2 0.338 4.298 3.960 0.001 0.000 0.215 256 G HA3 0.338 4.298 3.960 0.001 0.000 0.215 256 G C 0.723 175.879 174.900 0.426 0.000 1.131 256 G CA 0.546 45.864 45.100 0.363 0.000 0.785 256 G HN 0.600 nan 8.290 nan 0.000 0.539 257 G N -2.058 106.964 108.800 0.369 0.000 2.539 257 G HA2 0.166 4.126 3.960 0.001 0.000 0.686 257 G HA3 0.166 4.126 3.960 0.001 0.000 0.686 257 G C -1.117 173.977 174.900 0.323 0.000 1.258 257 G CA -0.511 44.764 45.100 0.291 0.000 0.846 257 G HN 0.690 nan 8.290 nan 0.000 0.647 258 V N 1.360 121.351 119.914 0.128 0.000 2.384 258 V HA 0.731 4.851 4.120 0.001 0.000 0.287 258 V C -0.340 175.837 176.094 0.137 0.000 1.020 258 V CA -0.544 61.924 62.300 0.280 0.000 0.850 258 V CB 1.001 33.038 31.823 0.356 0.000 0.987 258 V HN 0.601 nan 8.190 nan 0.000 0.436 259 F N 4.517 124.667 119.950 0.333 0.000 2.480 259 F HA 0.639 5.167 4.527 0.000 0.000 0.329 259 F C 0.198 176.134 175.800 0.226 0.000 1.091 259 F CA -1.080 57.087 58.000 0.278 0.000 0.972 259 F CB 1.474 40.593 39.000 0.198 0.000 1.150 259 F HN 0.217 nan 8.300 nan 0.000 0.467 260 I N 2.659 123.370 120.570 0.236 0.000 2.339 260 I HA 0.512 4.682 4.170 0.001 0.000 0.290 260 I C -0.142 175.979 176.117 0.006 0.000 0.994 260 I CA -0.826 60.452 61.300 -0.037 0.000 1.191 260 I CB 1.304 39.136 38.000 -0.281 0.000 1.343 260 I HN 0.694 nan 8.210 nan 0.000 0.458 261 A N 4.676 127.500 122.820 0.007 0.000 2.331 261 A HA 0.585 4.905 4.320 0.001 0.000 0.283 261 A C 1.245 178.772 177.584 -0.095 0.000 1.142 261 A CA 0.101 52.099 52.037 -0.065 0.000 0.812 261 A CB 0.796 19.683 19.000 -0.187 0.000 1.074 261 A HN 0.937 nan 8.150 nan 0.000 0.497 262 G N 2.018 110.748 108.800 -0.117 0.000 2.812 262 G HA2 0.173 4.133 3.960 0.001 0.000 0.218 262 G HA3 0.173 4.133 3.960 0.001 0.000 0.218 262 G C 1.467 176.281 174.900 -0.144 0.000 1.287 262 G CA 1.643 46.656 45.100 -0.146 0.000 0.796 262 G HN 2.421 nan 8.290 nan 0.000 0.649 263 G N 0.311 109.058 108.800 -0.089 0.000 2.583 263 G HA2 -0.335 3.626 3.960 0.001 0.000 0.292 263 G HA3 -0.335 3.626 3.960 0.001 0.000 0.292 263 G C 1.264 176.113 174.900 -0.085 0.000 1.203 263 G CA 1.645 46.716 45.100 -0.048 0.000 0.987 263 G HN 1.482 nan 8.290 nan 0.000 0.554 264 I N -0.914 119.621 120.570 -0.058 0.000 3.226 264 I HA 0.213 4.383 4.170 0.001 0.000 0.277 264 I C 2.361 178.310 176.117 -0.279 0.000 1.243 264 I CA 1.142 62.411 61.300 -0.051 0.000 1.459 264 I CB -0.491 37.541 38.000 0.052 0.000 1.093 264 I HN 0.293 nan 8.210 nan 0.000 0.453 265 V N 2.784 122.395 119.914 -0.505 0.000 2.343 265 V HA -0.111 4.009 4.120 0.001 0.000 0.247 265 V C -0.013 175.470 176.094 -1.019 0.000 1.051 265 V CA 2.283 63.891 62.300 -1.154 0.000 1.036 265 V CB -1.865 29.404 31.823 -0.923 0.000 0.654 265 V HN 0.366 nan 8.190 nan 0.000 0.451 266 P HA -0.165 nan 4.420 nan 0.000 0.218 266 P C 1.416 178.559 177.300 -0.261 0.000 1.146 266 P CA 1.305 64.206 63.100 -0.333 0.000 0.813 266 P CB -0.133 31.445 31.700 -0.205 0.000 0.778 267 R N -1.316 119.024 120.500 -0.267 0.000 2.323 267 R HA 0.066 4.406 4.340 0.001 0.000 0.198 267 R C 0.482 176.833 176.300 0.083 0.000 0.988 267 R CA 0.643 56.705 56.100 -0.064 0.000 1.041 267 R CB -0.589 29.719 30.300 0.014 0.000 0.926 267 R HN 0.360 nan 8.270 nan 0.000 0.476 268 F N -4.705 115.232 119.950 -0.022 0.000 2.548 268 F HA 0.314 4.841 4.527 0.001 0.000 0.379 268 F C 0.354 176.252 175.800 0.163 0.000 1.380 268 F CA -0.798 57.229 58.000 0.046 0.000 1.095 268 F CB -0.544 38.434 39.000 -0.037 0.000 1.270 268 F HN -0.251 nan 8.300 nan 0.000 0.509 269 L N 0.452 121.701 121.223 0.044 0.000 1.997 269 L HA -0.196 4.144 4.340 0.001 0.000 0.216 269 L C 2.716 179.764 176.870 0.297 0.000 1.074 269 L CA 2.159 57.067 54.840 0.114 0.000 0.763 269 L CB -0.240 41.863 42.059 0.073 0.000 0.890 269 L HN 0.501 nan 8.230 nan 0.000 0.434 270 E N -0.890 119.462 120.200 0.255 0.000 2.051 270 E HA -0.275 4.076 4.350 0.001 0.000 0.192 270 E C 2.161 178.932 176.600 0.285 0.000 0.991 270 E CA 1.594 58.133 56.400 0.232 0.000 0.799 270 E CB -0.160 29.644 29.700 0.174 0.000 0.748 270 E HN 0.465 nan 8.360 nan 0.000 0.449 271 F N 0.169 120.254 119.950 0.226 0.000 2.134 271 F HA -0.231 4.296 4.527 0.001 0.000 0.299 271 F C 2.121 178.087 175.800 0.276 0.000 1.097 271 F CA 1.375 59.512 58.000 0.230 0.000 1.264 271 F CB -0.257 38.890 39.000 0.245 0.000 1.001 271 F HN 0.045 nan 8.300 nan 0.000 0.479 272 F N 1.247 121.520 119.950 0.538 0.000 2.126 272 F HA -0.210 4.317 4.527 0.001 0.000 0.299 272 F C 2.395 178.283 175.800 0.148 0.000 1.096 272 F CA 2.008 60.196 58.000 0.314 0.000 1.255 272 F CB -0.502 38.525 39.000 0.045 0.000 0.997 272 F HN -0.151 nan 8.300 nan 0.000 0.479 273 K N -0.190 120.371 120.400 0.268 0.000 2.211 273 K HA -0.045 4.276 4.320 0.001 0.000 0.203 273 K C 2.022 178.661 176.600 0.065 0.000 1.050 273 K CA 0.925 57.353 56.287 0.236 0.000 0.945 273 K CB -0.231 32.464 32.500 0.325 0.000 0.732 273 K HN 0.336 nan 8.250 nan 0.000 0.451 274 A N 0.794 123.620 122.820 0.011 0.000 2.072 274 A HA 0.010 4.330 4.320 0.001 0.000 0.216 274 A C 1.084 178.592 177.584 -0.128 0.000 1.156 274 A CA 0.540 52.531 52.037 -0.076 0.000 0.701 274 A CB -0.281 18.635 19.000 -0.141 0.000 0.816 274 A HN 0.420 nan 8.150 nan 0.000 0.458 275 S N -0.683 114.938 115.700 -0.132 0.000 2.592 275 S HA 0.313 4.783 4.470 0.001 0.000 0.256 275 S C 1.183 175.767 174.600 -0.027 0.000 1.369 275 S CA 0.155 58.310 58.200 -0.075 0.000 0.984 275 S CB 0.592 63.818 63.200 0.044 0.000 0.919 275 S HN 0.660 nan 8.310 nan 0.000 0.576 276 G N -0.466 108.352 108.800 0.030 0.000 3.124 276 G HA2 0.103 4.064 3.960 0.001 0.000 0.212 276 G HA3 0.103 4.064 3.960 0.001 0.000 0.212 276 G C 0.627 175.559 174.900 0.054 0.000 1.181 276 G CA -0.054 45.070 45.100 0.041 0.000 0.803 276 G HN 0.724 nan 8.290 nan 0.000 0.529 277 F N 1.783 121.659 119.950 -0.124 0.000 2.063 277 F HA -0.252 4.276 4.527 0.001 0.000 0.298 277 F C 2.586 178.375 175.800 -0.019 0.000 1.109 277 F CA 2.092 60.011 58.000 -0.136 0.000 1.212 277 F CB 0.150 38.849 39.000 -0.501 0.000 0.973 277 F HN 0.218 nan 8.300 nan 0.000 0.480 278 R N 0.788 121.323 120.500 0.058 0.000 2.115 278 R HA 0.042 4.382 4.340 0.001 0.000 0.226 278 R C 2.147 178.462 176.300 0.024 0.000 1.100 278 R CA 1.392 57.503 56.100 0.018 0.000 0.980 278 R CB -1.073 29.317 30.300 0.150 0.000 0.875 278 R HN 0.385 nan 8.270 nan 0.000 0.445 279 A N 0.330 123.167 122.820 0.028 0.000 1.898 279 A HA -0.012 4.309 4.320 0.001 0.000 0.216 279 A C 2.369 179.967 177.584 0.023 0.000 1.181 279 A CA 1.647 53.709 52.037 0.042 0.000 0.620 279 A CB -1.091 17.931 19.000 0.037 0.000 0.819 279 A HN 0.444 nan 8.150 nan 0.000 0.442 280 A N -0.983 121.826 122.820 -0.018 0.000 1.883 280 A HA -0.148 4.172 4.320 0.001 0.000 0.217 280 A C 2.055 179.609 177.584 -0.050 0.000 1.186 280 A CA 1.748 53.763 52.037 -0.037 0.000 0.624 280 A CB -0.863 18.108 19.000 -0.049 0.000 0.822 280 A HN 0.731 nan 8.150 nan 0.000 0.444 281 F N 1.039 120.815 119.950 -0.290 0.000 2.120 281 F HA -0.222 4.305 4.527 0.001 0.000 0.300 281 F C 1.968 177.715 175.800 -0.088 0.000 1.095 281 F CA 2.386 60.240 58.000 -0.244 0.000 1.249 281 F CB -0.059 38.736 39.000 -0.342 0.000 0.995 281 F HN 0.402 nan 8.300 nan 0.000 0.480 282 E N -1.089 119.154 120.200 0.072 0.000 2.474 282 E HA -0.046 4.304 4.350 0.001 0.000 0.195 282 E C 0.142 176.753 176.600 0.017 0.000 1.039 282 E CA 0.158 56.584 56.400 0.044 0.000 0.881 282 E CB -0.110 29.703 29.700 0.188 0.000 0.970 282 E HN 0.202 nan 8.360 nan 0.000 0.486 283 D N 1.936 122.332 120.400 -0.005 0.000 2.662 283 D HA -0.032 4.608 4.640 0.001 0.000 0.228 283 D C -0.070 176.221 176.300 -0.015 0.000 1.093 283 D CA 0.265 54.265 54.000 0.000 0.000 1.075 283 D CB -0.019 40.780 40.800 -0.002 0.000 1.122 283 D HN -0.160 nan 8.370 nan 0.000 0.475 284 K N 1.137 121.540 120.400 0.004 0.000 2.758 284 K HA 0.324 4.645 4.320 0.001 0.000 0.208 284 K C 1.157 177.799 176.600 0.071 0.000 1.091 284 K CA -0.145 56.154 56.287 0.019 0.000 1.059 284 K CB 0.498 33.007 32.500 0.014 0.000 0.801 284 K HN 0.392 nan 8.250 nan 0.000 0.470 285 G N 3.057 111.883 108.800 0.044 0.000 2.614 285 G HA2 -0.446 3.514 3.960 0.001 0.000 0.303 285 G HA3 -0.446 3.514 3.960 0.001 0.000 0.303 285 G C 0.698 175.621 174.900 0.039 0.000 1.270 285 G CA 0.700 45.825 45.100 0.043 0.000 0.988 285 G HN 0.496 nan 8.290 nan 0.000 0.551 286 R N -0.140 120.382 120.500 0.037 0.000 2.357 286 R HA 0.185 4.525 4.340 0.001 0.000 0.202 286 R C 1.583 177.699 176.300 -0.305 0.000 1.047 286 R CA 1.561 57.602 56.100 -0.099 0.000 1.034 286 R CB -0.229 30.002 30.300 -0.116 0.000 0.875 286 R HN 0.318 nan 8.270 nan 0.000 0.473 287 F N 1.220 121.168 119.950 -0.004 0.000 2.639 287 F HA 0.265 4.792 4.527 0.000 0.000 0.302 287 F C 1.990 177.825 175.800 0.059 0.000 1.097 287 F CA -0.532 57.481 58.000 0.022 0.000 1.294 287 F CB 0.323 39.291 39.000 -0.055 0.000 1.027 287 F HN -0.107 nan 8.300 nan 0.000 0.550 288 K N 1.699 122.164 120.400 0.107 0.000 2.074 288 K HA -0.273 4.047 4.320 0.001 0.000 0.209 288 K C 1.976 178.667 176.600 0.152 0.000 1.048 288 K CA 2.346 58.698 56.287 0.107 0.000 0.926 288 K CB -0.108 32.430 32.500 0.063 0.000 0.713 288 K HN 0.570 nan 8.250 nan 0.000 0.444 289 E N -0.848 119.398 120.200 0.077 0.000 2.110 289 E HA -0.255 4.096 4.350 0.001 0.000 0.193 289 E C 2.043 178.764 176.600 0.202 0.000 0.988 289 E CA 1.123 57.574 56.400 0.086 0.000 0.804 289 E CB -0.743 28.937 29.700 -0.034 0.000 0.745 289 E HN 0.445 nan 8.360 nan 0.000 0.458 290 Y N 1.954 122.337 120.300 0.138 0.000 2.165 290 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 290 Y C 2.295 178.377 175.900 0.302 0.000 1.155 290 Y CA 2.148 60.407 58.100 0.264 0.000 1.164 290 Y CB 0.160 38.847 38.460 0.379 0.000 0.978 290 Y HN 0.141 nan 8.280 nan 0.000 0.513 291 V N -3.210 116.941 119.914 0.395 0.000 3.644 291 V HA -0.019 4.101 4.120 0.001 0.000 0.267 291 V C 2.228 178.513 176.094 0.317 0.000 1.277 291 V CA 1.144 63.617 62.300 0.289 0.000 1.096 291 V CB -0.631 31.199 31.823 0.012 0.000 0.828 291 V HN 0.519 nan 8.190 nan 0.000 0.446 292 H N 1.662 120.846 119.070 0.191 0.000 2.362 292 H HA -0.219 4.337 4.556 0.001 0.000 0.294 292 H C 1.190 176.615 175.328 0.162 0.000 1.113 292 H CA 2.408 58.553 56.048 0.162 0.000 1.253 292 H CB 0.078 29.897 29.762 0.095 0.000 1.363 292 H HN 0.481 nan 8.280 nan 0.000 0.494 293 D N 0.243 120.696 120.400 0.088 0.000 2.369 293 D HA 0.154 4.795 4.640 0.001 0.000 0.211 293 D C 0.383 176.725 176.300 0.070 0.000 1.077 293 D CA -0.094 53.912 54.000 0.010 0.000 0.842 293 D CB 0.512 41.352 40.800 0.068 0.000 0.947 293 D HN 0.341 nan 8.370 nan 0.000 0.509 294 I N 3.733 124.412 120.570 0.182 0.000 2.471 294 I HA 0.073 4.244 4.170 0.001 0.000 0.286 294 I C -2.015 174.123 176.117 0.036 0.000 1.079 294 I CA -1.575 59.853 61.300 0.214 0.000 1.398 294 I CB 0.843 39.072 38.000 0.382 0.000 1.403 294 I HN -0.300 nan 8.210 nan 0.000 0.530 295 P HA 0.101 nan 4.420 nan 0.000 0.271 295 P C -0.686 176.326 177.300 -0.479 0.000 1.216 295 P CA -0.078 62.789 63.100 -0.388 0.000 0.776 295 P CB 1.122 32.509 31.700 -0.522 0.000 0.881 296 V N 4.759 124.335 119.914 -0.564 0.000 2.459 296 V HA 0.342 4.463 4.120 0.001 0.000 0.295 296 V C -0.501 175.302 176.094 -0.486 0.000 1.029 296 V CA -0.365 61.694 62.300 -0.401 0.000 0.874 296 V CB 0.750 32.473 31.823 -0.166 0.000 0.985 296 V HN 0.401 nan 8.190 nan 0.000 0.438 297 Y N 3.942 124.115 120.300 -0.211 0.000 2.376 297 Y HA 0.571 5.121 4.550 0.000 0.000 0.340 297 Y C -0.181 175.752 175.900 0.056 0.000 0.965 297 Y CA -1.020 57.031 58.100 -0.082 0.000 1.078 297 Y CB 1.766 40.088 38.460 -0.230 0.000 1.193 297 Y HN 0.521 nan 8.280 nan 0.000 0.452 298 L N 5.663 127.078 121.223 0.319 0.000 2.410 298 L HA 0.364 4.705 4.340 0.001 0.000 0.273 298 L C -0.201 176.786 176.870 0.194 0.000 1.144 298 L CA -0.387 54.553 54.840 0.167 0.000 0.863 298 L CB 0.108 42.271 42.059 0.173 0.000 1.140 298 L HN 0.640 nan 8.230 nan 0.000 0.463 299 I N 5.465 126.130 120.570 0.157 0.000 2.395 299 I HA 0.344 4.514 4.170 0.001 0.000 0.289 299 I C 0.571 176.735 176.117 0.079 0.000 1.023 299 I CA -0.166 61.224 61.300 0.150 0.000 1.350 299 I CB 1.269 39.342 38.000 0.121 0.000 1.409 299 I HN 0.586 nan 8.210 nan 0.000 0.507 300 V N 3.495 123.474 119.914 0.108 0.000 3.477 300 V HA 0.240 4.360 4.120 0.001 0.000 0.297 300 V C 0.984 177.132 176.094 0.090 0.000 1.433 300 V CA -0.105 62.237 62.300 0.070 0.000 1.052 300 V CB -1.293 30.562 31.823 0.052 0.000 0.895 300 V HN 0.932 nan 8.190 nan 0.000 0.438 301 H N 2.360 121.436 119.070 0.009 0.000 3.016 301 H HA 0.037 4.594 4.556 0.001 0.000 0.345 301 H C 0.409 175.676 175.328 -0.102 0.000 1.066 301 H CA 1.527 57.516 56.048 -0.098 0.000 1.390 301 H CB 1.231 30.807 29.762 -0.310 0.000 1.344 301 H HN 0.383 nan 8.280 nan 0.000 0.605 302 D N 2.521 122.915 120.400 -0.010 0.000 2.271 302 D HA -0.050 4.590 4.640 0.001 0.000 0.206 302 D C 0.092 176.433 176.300 0.068 0.000 0.967 302 D CA 0.735 54.736 54.000 0.002 0.000 0.867 302 D CB 0.506 41.254 40.800 -0.086 0.000 0.960 302 D HN 0.441 nan 8.370 nan 0.000 0.509 303 N N 0.923 119.763 118.700 0.233 0.000 2.723 303 N HA 0.120 4.860 4.740 0.001 0.000 0.290 303 N C -2.064 173.407 175.510 -0.066 0.000 1.882 303 N CA -0.847 52.253 53.050 0.082 0.000 0.851 303 N CB 2.222 40.742 38.487 0.054 0.000 1.234 303 N HN 0.015 nan 8.380 nan 0.000 0.491 304 P HA -0.038 nan 4.420 nan 0.000 0.221 304 P C 1.530 178.678 177.300 -0.254 0.000 1.150 304 P CA 0.843 63.719 63.100 -0.374 0.000 0.800 304 P CB 0.390 31.903 31.700 -0.312 0.000 0.787 305 G N 0.878 109.568 108.800 -0.182 0.000 2.459 305 G HA2 -0.220 3.740 3.960 0.001 0.000 0.217 305 G HA3 -0.220 3.740 3.960 0.001 0.000 0.217 305 G C 1.635 176.465 174.900 -0.116 0.000 1.183 305 G CA 0.669 45.680 45.100 -0.147 0.000 0.776 305 G HN 0.225 nan 8.290 nan 0.000 0.552 306 L N -0.099 121.065 121.223 -0.098 0.000 2.046 306 L HA 0.002 4.342 4.340 0.001 0.000 0.208 306 L C 2.847 179.666 176.870 -0.086 0.000 1.077 306 L CA 0.445 55.240 54.840 -0.076 0.000 0.747 306 L CB -0.482 41.543 42.059 -0.057 0.000 0.896 306 L HN 0.156 nan 8.230 nan 0.000 0.432 307 L N -0.103 121.042 121.223 -0.131 0.000 2.013 307 L HA -0.205 4.136 4.340 0.001 0.000 0.212 307 L C 2.459 179.246 176.870 -0.137 0.000 1.073 307 L CA 1.982 56.726 54.840 -0.160 0.000 0.753 307 L CB -0.824 41.050 42.059 -0.309 0.000 0.890 307 L HN 0.366 nan 8.230 nan 0.000 0.432 308 G N -1.867 106.844 108.800 -0.149 0.000 2.403 308 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 308 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 308 G C 1.648 176.525 174.900 -0.039 0.000 1.154 308 G CA 0.708 45.739 45.100 -0.116 0.000 0.784 308 G HN 0.393 nan 8.290 nan 0.000 0.538 309 S N 0.824 116.501 115.700 -0.039 0.000 2.382 309 S HA -0.071 4.399 4.470 0.001 0.000 0.228 309 S C 2.504 177.130 174.600 0.044 0.000 1.027 309 S CA 1.205 59.413 58.200 0.013 0.000 0.991 309 S CB -0.567 62.629 63.200 -0.007 0.000 0.823 309 S HN 0.521 nan 8.310 nan 0.000 0.469 310 G N 1.588 110.386 108.800 -0.003 0.000 2.459 310 G HA2 -0.123 3.837 3.960 0.001 0.000 0.217 310 G HA3 -0.123 3.837 3.960 0.001 0.000 0.217 310 G C 1.607 176.498 174.900 -0.014 0.000 1.183 310 G CA 1.002 46.094 45.100 -0.013 0.000 0.776 310 G HN 0.583 nan 8.290 nan 0.000 0.552 311 A N 0.088 122.898 122.820 -0.017 0.000 1.883 311 A HA -0.191 4.130 4.320 0.001 0.000 0.217 311 A C 2.167 179.774 177.584 0.040 0.000 1.186 311 A CA 2.042 54.075 52.037 -0.007 0.000 0.624 311 A CB -0.996 17.981 19.000 -0.038 0.000 0.822 311 A HN 0.561 nan 8.150 nan 0.000 0.444 312 H N -0.679 118.384 119.070 -0.011 0.000 2.319 312 H HA -0.147 4.409 4.556 0.001 0.000 0.299 312 H C 2.074 177.411 175.328 0.016 0.000 1.092 312 H CA 2.027 58.085 56.048 0.017 0.000 1.302 312 H CB -0.254 29.518 29.762 0.017 0.000 1.373 312 H HN 0.336 nan 8.280 nan 0.000 0.497 313 L N 1.495 122.746 121.223 0.047 0.000 2.012 313 L HA -0.156 4.185 4.340 0.001 0.000 0.210 313 L C 2.820 179.638 176.870 -0.086 0.000 1.073 313 L CA 1.615 56.446 54.840 -0.015 0.000 0.748 313 L CB -0.687 41.391 42.059 0.033 0.000 0.891 313 L HN 0.121 nan 8.230 nan 0.000 0.431 314 R N -1.082 119.370 120.500 -0.080 0.000 2.083 314 R HA -0.214 4.126 4.340 0.001 0.000 0.237 314 R C 2.374 178.674 176.300 -0.000 0.000 1.137 314 R CA 1.855 57.888 56.100 -0.112 0.000 0.951 314 R CB -0.423 29.760 30.300 -0.195 0.000 0.851 314 R HN 0.548 nan 8.270 nan 0.000 0.434 315 Q N -0.129 119.661 119.800 -0.017 0.000 2.084 315 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 315 Q C 1.655 177.614 176.000 -0.068 0.000 0.978 315 Q CA 2.012 57.813 55.803 -0.002 0.000 0.844 315 Q CB 0.050 28.797 28.738 0.014 0.000 0.898 315 Q HN 0.271 nan 8.270 nan 0.000 0.426 316 T N 1.262 115.712 114.554 -0.173 0.000 2.699 316 T HA -0.164 4.186 4.350 0.001 0.000 0.268 316 T C 1.441 176.065 174.700 -0.128 0.000 1.036 316 T CA 1.246 63.244 62.100 -0.171 0.000 1.147 316 T CB -0.140 68.601 68.868 -0.212 0.000 0.862 316 T HN 0.291 nan 8.240 nan 0.000 0.446 317 L N 0.216 121.379 121.223 -0.099 0.000 2.627 317 L HA 0.245 4.585 4.340 0.001 0.000 0.233 317 L C 1.894 178.759 176.870 -0.009 0.000 1.144 317 L CA 0.393 55.178 54.840 -0.090 0.000 0.892 317 L CB -0.341 41.693 42.059 -0.042 0.000 1.039 317 L HN 0.535 nan 8.230 nan 0.000 0.442 318 G N -1.508 107.288 108.800 -0.006 0.000 2.179 318 G HA2 -0.208 3.752 3.960 0.001 0.000 0.220 318 G HA3 -0.208 3.752 3.960 0.001 0.000 0.220 318 G C 0.304 175.168 174.900 -0.060 0.000 0.990 318 G CA -0.477 44.595 45.100 -0.046 0.000 0.646 318 G HN 0.416 nan 8.290 nan 0.000 0.517 319 H N -0.412 118.636 119.070 -0.037 0.000 2.679 319 H HA 0.469 5.025 4.556 0.001 0.000 0.369 319 H C 0.051 175.385 175.328 0.009 0.000 1.178 319 H CA 0.423 56.462 56.048 -0.014 0.000 1.419 319 H CB 1.109 30.862 29.762 -0.014 0.000 1.458 319 H HN 0.148 nan 8.280 nan 0.000 0.605 320 I N 2.685 123.335 120.570 0.134 0.000 2.362 320 I HA 0.080 4.251 4.170 0.001 0.000 0.289 320 I C 0.399 176.611 176.117 0.158 0.000 0.994 320 I CA -0.080 61.291 61.300 0.119 0.000 1.158 320 I CB 0.953 38.996 38.000 0.071 0.000 1.315 320 I HN 0.192 nan 8.210 nan 0.000 0.451 321 L N 0.000 121.346 121.223 0.205 0.000 2.949 321 L HA 0.000 4.340 4.340 0.001 0.000 0.249 321 L CA 0.000 54.962 54.840 0.204 0.000 0.813 321 L CB 0.000 42.214 42.059 0.258 0.000 0.961 321 L HN 0.000 nan 8.230 nan 0.000 0.502