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 2w6h_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.302 176.300 0.004 0.000 2.045 24 D CA 0.000 54.002 54.000 0.004 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 25 L N 2.468 123.693 121.223 0.003 0.000 2.611 25 L HA 0.254 4.593 4.340 -0.002 0.000 0.229 25 L C 1.748 178.596 176.870 -0.036 0.000 1.137 25 L CA 0.168 55.002 54.840 -0.010 0.000 0.901 25 L CB 0.275 42.329 42.059 -0.010 0.000 1.098 25 L HN 0.439 nan 8.230 nan 0.000 0.456 26 E N 0.042 120.225 120.200 -0.028 0.000 2.166 26 E HA -0.061 4.288 4.350 -0.002 0.000 0.192 26 E C 1.256 177.834 176.600 -0.036 0.000 0.967 26 E CA 0.467 56.846 56.400 -0.034 0.000 0.840 26 E CB 0.618 30.303 29.700 -0.025 0.000 0.795 26 E HN 0.334 nan 8.360 nan 0.000 0.470 27 E N 0.117 120.298 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.394 4.350 -0.002 0.000 0.208 27 E C 0.316 176.890 176.600 -0.043 0.000 0.997 27 E CA 0.260 56.638 56.400 -0.036 0.000 0.961 27 E CB 1.497 31.180 29.700 -0.030 0.000 1.030 27 E HN 0.148 nan 8.360 nan 0.000 0.483 28 T N -2.252 112.280 114.554 -0.037 0.000 2.864 28 T HA 0.719 5.068 4.350 -0.002 0.000 0.299 28 T C -0.021 174.661 174.700 -0.029 0.000 1.166 28 T CA -0.552 61.524 62.100 -0.040 0.000 1.007 28 T CB 2.487 71.337 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.467 109.249 108.800 -0.029 0.000 2.733 29 G HA2 0.722 4.681 3.960 -0.002 0.000 0.288 29 G HA3 0.722 4.681 3.960 -0.002 0.000 0.288 29 G C -1.563 173.361 174.900 0.040 0.000 1.373 29 G CA -1.135 43.970 45.100 0.008 0.000 0.895 29 G HN 0.834 nan 8.290 nan 0.000 0.479 30 R N -0.542 120.014 120.500 0.094 0.000 2.599 30 R HA 0.516 4.855 4.340 -0.002 0.000 0.295 30 R C -0.723 175.645 176.300 0.114 0.000 0.963 30 R CA -0.722 55.434 56.100 0.093 0.000 0.883 30 R CB 2.556 32.903 30.300 0.078 0.000 1.171 30 R HN 0.329 nan 8.270 nan 0.000 0.450 31 V N 5.080 125.066 119.914 0.120 0.000 2.521 31 V HA -0.002 4.117 4.120 -0.002 0.000 0.286 31 V C 1.360 177.506 176.094 0.087 0.000 1.034 31 V CA 0.297 62.678 62.300 0.135 0.000 1.045 31 V CB 0.664 32.582 31.823 0.159 0.000 0.974 31 V HN 0.737 nan 8.190 nan 0.000 0.480 32 L N 3.609 124.883 121.223 0.085 0.000 2.298 32 L HA 0.177 4.516 4.340 -0.002 0.000 0.209 32 L C 0.869 177.761 176.870 0.038 0.000 1.084 32 L CA 0.819 55.689 54.840 0.050 0.000 0.816 32 L CB 0.147 42.241 42.059 0.058 0.000 0.967 32 L HN 0.873 nan 8.230 nan 0.000 0.460 33 S N -0.908 114.820 115.700 0.047 0.000 2.543 33 S HA 0.592 5.061 4.470 -0.002 0.000 0.274 33 S C -1.220 173.399 174.600 0.031 0.000 1.149 33 S CA -0.820 57.398 58.200 0.030 0.000 0.866 33 S CB 2.316 65.530 63.200 0.024 0.000 1.111 33 S HN -0.008 nan 8.310 nan 0.000 0.457 34 I N 0.912 121.488 120.570 0.010 0.000 2.569 34 I HA 0.904 5.073 4.170 -0.002 0.000 0.290 34 I C -0.300 175.806 176.117 -0.019 0.000 1.088 34 I CA 0.298 61.593 61.300 -0.009 0.000 1.047 34 I CB 1.518 39.496 38.000 -0.037 0.000 1.237 34 I HN 1.358 nan 8.210 nan 0.000 0.421 35 G N 4.354 113.141 108.800 -0.021 0.000 2.616 35 G HA2 0.392 4.351 3.960 -0.002 0.000 0.294 35 G HA3 0.392 4.351 3.960 -0.002 0.000 0.294 35 G C -1.187 173.700 174.900 -0.022 0.000 1.489 35 G CA -0.544 44.544 45.100 -0.022 0.000 0.836 35 G HN 0.624 nan 8.290 nan 0.000 0.527 36 D N -0.377 120.009 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.440 4.640 -0.002 0.000 0.233 36 D C 1.679 177.964 176.300 -0.026 0.000 1.155 36 D CA 2.760 56.745 54.000 -0.025 0.000 0.667 36 D CB -1.114 39.672 40.800 -0.024 0.000 1.060 36 D HN 2.203 nan 8.370 nan 0.000 0.427 37 G N -1.056 107.725 108.800 -0.030 0.000 2.175 37 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.265 37 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.265 37 G C 0.268 175.162 174.900 -0.009 0.000 0.979 37 G CA 0.402 45.485 45.100 -0.028 0.000 0.663 37 G HN 0.499 nan 8.290 nan 0.000 0.533 38 I N 1.057 121.624 120.570 -0.005 0.000 2.354 38 I HA 0.675 4.844 4.170 -0.002 0.000 0.292 38 I C 0.603 176.741 176.117 0.036 0.000 0.989 38 I CA -0.915 60.399 61.300 0.023 0.000 1.188 38 I CB 1.203 39.209 38.000 0.010 0.000 1.342 38 I HN 0.295 nan 8.210 nan 0.000 0.457 39 A N 7.830 130.705 122.820 0.092 0.000 2.317 39 A HA 0.741 5.060 4.320 -0.002 0.000 0.327 39 A C -0.102 177.567 177.584 0.141 0.000 1.178 39 A CA -0.708 51.409 52.037 0.133 0.000 0.817 39 A CB 1.035 20.202 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.251 122.821 120.500 0.117 0.000 2.312 40 R HA 0.393 4.732 4.340 -0.002 0.000 0.310 40 R C -1.147 175.221 176.300 0.114 0.000 1.064 40 R CA -0.284 55.874 56.100 0.096 0.000 0.983 40 R CB 1.075 31.415 30.300 0.067 0.000 1.139 40 R HN 0.518 nan 8.270 nan 0.000 0.536 41 V N 2.845 122.826 119.914 0.112 0.000 2.509 41 V HA 0.171 4.290 4.120 -0.002 0.000 0.284 41 V C 0.242 176.396 176.094 0.100 0.000 1.047 41 V CA -0.769 61.595 62.300 0.106 0.000 0.952 41 V CB 1.302 33.158 31.823 0.055 0.000 0.988 41 V HN 0.601 nan 8.190 nan 0.000 0.469 42 H N 2.537 121.620 119.070 0.021 0.000 2.488 42 H HA 0.663 5.218 4.556 -0.002 0.000 0.322 42 H C 0.379 175.708 175.328 0.002 0.000 1.078 42 H CA 1.079 57.134 56.048 0.012 0.000 1.260 42 H CB 0.905 30.676 29.762 0.014 0.000 1.425 42 H HN 1.069 nan 8.280 nan 0.000 0.471 43 G N 3.029 111.603 108.800 -0.376 0.000 2.443 43 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.209 43 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.209 43 G C -0.165 174.659 174.900 -0.127 0.000 1.176 43 G CA -0.468 44.502 45.100 -0.217 0.000 1.074 43 G HN 1.153 nan 8.290 nan 0.000 0.577 44 L N -0.480 120.695 121.223 -0.080 0.000 3.717 44 L HA -0.204 4.135 4.340 -0.002 0.000 0.414 44 L C 2.274 179.104 176.870 -0.068 0.000 1.228 44 L CA 0.770 55.568 54.840 -0.070 0.000 0.918 44 L CB -0.767 41.250 42.059 -0.070 0.000 1.865 44 L HN 0.643 nan 8.230 nan 0.000 0.922 45 R N 0.523 120.980 120.500 -0.072 0.000 2.170 45 R HA -0.092 4.247 4.340 -0.002 0.000 0.242 45 R C 1.422 177.695 176.300 -0.045 0.000 1.145 45 R CA 1.444 57.506 56.100 -0.063 0.000 0.984 45 R CB -0.277 29.987 30.300 -0.061 0.000 0.869 45 R HN 0.577 nan 8.270 nan 0.000 0.455 46 N N 0.251 118.926 118.700 -0.041 0.000 2.280 46 N HA -0.013 4.726 4.740 -0.002 0.000 0.192 46 N C 0.100 175.591 175.510 -0.032 0.000 1.109 46 N CA 0.127 53.157 53.050 -0.033 0.000 0.855 46 N CB 0.351 38.821 38.487 -0.030 0.000 0.974 46 N HN 0.005 nan 8.380 nan 0.000 0.482 47 V N 0.199 120.091 119.914 -0.037 0.000 2.872 47 V HA 0.042 4.161 4.120 -0.002 0.000 0.307 47 V C 0.411 176.492 176.094 -0.022 0.000 1.072 47 V CA -0.526 61.754 62.300 -0.034 0.000 1.148 47 V CB 0.183 31.983 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.863 122.653 119.800 -0.018 0.000 2.193 48 Q HA 0.727 5.066 4.340 -0.002 0.000 0.246 48 Q C 0.157 176.157 176.000 0.000 0.000 0.959 48 Q CA -0.519 55.279 55.803 -0.008 0.000 0.904 48 Q CB 1.203 29.936 28.738 -0.007 0.000 1.238 48 Q HN 1.106 nan 8.270 nan 0.000 0.469 49 A N 1.250 124.076 122.820 0.010 0.000 2.540 49 A HA 0.076 4.395 4.320 -0.002 0.000 0.239 49 A C 0.114 177.715 177.584 0.028 0.000 1.061 49 A CA 0.205 52.255 52.037 0.022 0.000 0.758 49 A CB -0.341 18.677 19.000 0.029 0.000 0.991 49 A HN 0.940 nan 8.150 nan 0.000 0.502 50 E N -0.870 119.356 120.200 0.043 0.000 3.286 50 E HA -0.197 4.152 4.350 -0.002 0.000 0.292 50 E C 0.176 176.797 176.600 0.036 0.000 0.928 50 E CA 1.493 57.928 56.400 0.058 0.000 0.982 50 E CB -1.333 28.398 29.700 0.052 0.000 1.500 50 E HN 0.874 nan 8.360 nan 0.000 0.441 51 E N 0.162 120.369 120.200 0.011 0.000 2.366 51 E HA 0.142 4.491 4.350 -0.002 0.000 0.266 51 E C -0.013 176.563 176.600 -0.040 0.000 1.051 51 E CA -0.420 55.970 56.400 -0.017 0.000 0.884 51 E CB 0.559 30.241 29.700 -0.029 0.000 1.006 51 E HN 0.026 nan 8.360 nan 0.000 0.417 52 M N 4.263 123.820 119.600 -0.071 0.000 2.162 52 M HA 0.145 4.624 4.480 -0.002 0.000 0.356 52 M C -0.080 176.136 176.300 -0.140 0.000 1.303 52 M CA -0.216 55.004 55.300 -0.134 0.000 1.116 52 M CB 0.605 33.113 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.257 121.065 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.845 4.120 -0.002 0.000 0.313 53 V C -0.847 175.095 176.094 -0.254 0.000 1.162 53 V CA -0.851 61.322 62.300 -0.211 0.000 1.048 53 V CB 2.368 34.045 31.823 -0.243 0.000 1.092 53 V HN 0.887 nan 8.190 nan 0.000 0.447 54 E N 0.319 120.351 120.200 -0.280 0.000 2.256 54 E HA 0.524 4.873 4.350 -0.002 0.000 0.268 54 E C -1.806 174.634 176.600 -0.266 0.000 0.877 54 E CA -0.665 55.613 56.400 -0.203 0.000 0.757 54 E CB 1.896 31.540 29.700 -0.094 0.000 1.183 54 E HN 0.624 nan 8.360 nan 0.000 0.418 55 F N 1.608 121.553 119.950 -0.008 0.000 2.382 55 F HA 0.117 4.643 4.527 -0.002 0.000 0.331 55 F C 1.908 177.711 175.800 0.005 0.000 1.121 55 F CA -0.166 57.837 58.000 0.005 0.000 1.183 55 F CB 1.244 40.253 39.000 0.015 0.000 1.207 55 F HN 0.519 nan 8.300 nan 0.000 0.555 56 S N 0.642 116.448 115.700 0.177 0.000 2.414 56 S HA -0.336 4.133 4.470 -0.002 0.000 0.238 56 S C 2.213 176.872 174.600 0.099 0.000 1.055 56 S CA 2.074 60.335 58.200 0.102 0.000 1.174 56 S CB -1.135 62.118 63.200 0.089 0.000 1.087 56 S HN 0.814 nan 8.310 nan 0.000 0.428 57 S N 1.246 117.012 115.700 0.108 0.000 2.462 57 S HA -0.040 4.429 4.470 -0.002 0.000 0.251 57 S C 1.708 176.355 174.600 0.077 0.000 1.018 57 S CA 1.607 59.854 58.200 0.078 0.000 0.988 57 S CB -1.051 62.186 63.200 0.062 0.000 0.766 57 S HN 1.443 nan 8.310 nan 0.000 0.504 58 G N -0.464 108.397 108.800 0.101 0.000 2.218 58 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.216 58 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.216 58 G C -0.157 174.805 174.900 0.104 0.000 0.994 58 G CA -0.103 45.044 45.100 0.079 0.000 0.637 58 G HN 0.475 nan 8.290 nan 0.000 0.505 59 L N 1.704 123.018 121.223 0.151 0.000 2.456 59 L HA 0.497 4.836 4.340 -0.002 0.000 0.272 59 L C 0.977 178.006 176.870 0.266 0.000 1.189 59 L CA 0.597 55.546 54.840 0.181 0.000 0.846 59 L CB 0.655 42.794 42.059 0.133 0.000 1.111 59 L HN 0.263 nan 8.230 nan 0.000 0.475 60 K N 0.864 121.361 120.400 0.163 0.000 2.148 60 K HA 0.818 5.137 4.320 -0.002 0.000 0.239 60 K C -0.069 176.615 176.600 0.140 0.000 1.018 60 K CA -0.494 55.803 56.287 0.017 0.000 0.923 60 K CB 1.188 33.531 32.500 -0.261 0.000 1.117 60 K HN 0.746 nan 8.250 nan 0.000 0.477 61 G N 0.206 108.982 108.800 -0.039 0.000 2.673 61 G HA2 0.487 4.446 3.960 -0.002 0.000 0.292 61 G HA3 0.487 4.446 3.960 -0.002 0.000 0.292 61 G C -1.892 172.989 174.900 -0.031 0.000 1.450 61 G CA -0.826 44.398 45.100 0.207 0.000 0.837 61 G HN 0.500 nan 8.290 nan 0.000 0.505 62 M N 1.142 120.858 119.600 0.194 0.000 2.321 62 M HA 0.609 5.088 4.480 -0.002 0.000 0.315 62 M C -0.555 175.831 176.300 0.143 0.000 1.052 62 M CA -0.522 54.867 55.300 0.149 0.000 0.936 62 M CB 1.835 34.639 32.600 0.341 0.000 1.639 62 M HN 0.319 nan 8.290 nan 0.000 0.433 63 S N 5.919 121.662 115.700 0.071 0.000 2.423 63 S HA 0.260 4.729 4.470 -0.002 0.000 0.302 63 S C 0.863 175.504 174.600 0.068 0.000 1.143 63 S CA -0.479 57.756 58.200 0.058 0.000 1.080 63 S CB -0.040 63.170 63.200 0.017 0.000 1.081 63 S HN 0.751 nan 8.310 nan 0.000 0.522 64 L N 2.132 123.400 121.223 0.075 0.000 2.463 64 L HA 0.224 4.563 4.340 -0.002 0.000 0.219 64 L C 0.103 177.000 176.870 0.045 0.000 1.088 64 L CA 0.455 55.334 54.840 0.064 0.000 0.849 64 L CB 0.006 42.097 42.059 0.054 0.000 1.012 64 L HN 0.400 nan 8.230 nan 0.000 0.468 65 N N 0.562 119.284 118.700 0.036 0.000 2.483 65 N HA 0.386 5.125 4.740 -0.002 0.000 0.267 65 N C -1.093 174.430 175.510 0.022 0.000 0.998 65 N CA -0.111 52.955 53.050 0.026 0.000 0.918 65 N CB 1.502 40.001 38.487 0.019 0.000 1.215 65 N HN -0.032 nan 8.380 nan 0.000 0.500 66 L N 1.997 123.230 121.223 0.018 0.000 2.272 66 L HA 0.439 4.778 4.340 -0.002 0.000 0.284 66 L C 0.337 177.211 176.870 0.006 0.000 1.045 66 L CA -0.367 54.478 54.840 0.008 0.000 0.842 66 L CB 0.778 42.840 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.490 123.692 120.200 0.003 0.000 2.232 67 E HA 0.308 4.657 4.350 -0.002 0.000 0.264 67 E C -1.594 175.004 176.600 -0.004 0.000 0.973 67 E CA -1.753 54.649 56.400 0.003 0.000 0.849 67 E CB 1.728 31.433 29.700 0.009 0.000 1.198 67 E HN 0.271 nan 8.360 nan 0.000 0.407 68 P HA -0.209 nan 4.420 nan 0.000 0.215 68 P C 0.448 177.741 177.300 -0.012 0.000 1.163 68 P CA 1.511 64.608 63.100 -0.006 0.000 0.894 68 P CB 0.107 31.807 31.700 0.001 0.000 0.791 69 D N -1.866 118.535 120.400 0.001 0.000 2.368 69 D HA 0.060 4.699 4.640 -0.002 0.000 0.218 69 D C 0.028 176.335 176.300 0.011 0.000 1.112 69 D CA -0.169 53.836 54.000 0.009 0.000 0.834 69 D CB -0.677 40.147 40.800 0.039 0.000 0.953 69 D HN 0.366 nan 8.370 nan 0.000 0.505 70 N N -1.836 116.863 118.700 -0.003 0.000 3.533 70 N HA 0.225 4.964 4.740 -0.002 0.000 0.229 70 N C -2.046 173.467 175.510 0.005 0.000 1.418 70 N CA -0.949 52.105 53.050 0.008 0.000 0.880 70 N CB 1.142 39.658 38.487 0.049 0.000 1.415 70 N HN -0.207 nan 8.380 nan 0.000 0.491 71 V N -0.039 119.884 119.914 0.014 0.000 2.357 71 V HA 0.768 4.887 4.120 -0.002 0.000 0.284 71 V C 0.658 176.779 176.094 0.045 0.000 1.018 71 V CA -0.510 61.801 62.300 0.018 0.000 0.841 71 V CB 1.031 32.855 31.823 0.001 0.000 0.991 71 V HN 0.891 nan 8.190 nan 0.000 0.437 72 G N 4.070 112.896 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.442 3.960 -0.002 0.000 0.305 72 G HA3 0.483 4.442 3.960 -0.002 0.000 0.305 72 G C -0.509 174.439 174.900 0.081 0.000 1.072 72 G CA -0.153 44.982 45.100 0.058 0.000 1.016 72 G HN 0.518 nan 8.290 nan 0.000 0.418 73 V N 3.359 123.350 119.914 0.128 0.000 2.472 73 V HA 0.200 4.319 4.120 -0.002 0.000 0.290 73 V C 0.279 176.499 176.094 0.210 0.000 1.037 73 V CA -0.675 61.735 62.300 0.183 0.000 0.908 73 V CB 1.947 33.923 31.823 0.255 0.000 0.985 73 V HN 0.428 nan 8.190 nan 0.000 0.454 74 V N 6.269 126.315 119.914 0.220 0.000 2.356 74 V HA 0.150 4.269 4.120 -0.002 0.000 0.258 74 V C 0.216 176.516 176.094 0.342 0.000 1.065 74 V CA -0.189 62.240 62.300 0.214 0.000 0.935 74 V CB 1.350 33.286 31.823 0.187 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.707 126.762 119.914 0.235 0.000 2.521 75 V HA 0.124 4.243 4.120 -0.002 0.000 0.286 75 V C 0.429 176.704 176.094 0.302 0.000 1.034 75 V CA 0.011 62.454 62.300 0.238 0.000 1.045 75 V CB 0.387 32.182 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.870 124.876 119.950 0.093 0.000 2.733 76 F HA 0.588 5.114 4.527 -0.002 0.000 0.344 76 F C 1.069 176.897 175.800 0.047 0.000 1.179 76 F CA 0.300 58.348 58.000 0.080 0.000 1.316 76 F CB -0.128 38.933 39.000 0.102 0.000 1.577 76 F HN 0.732 nan 8.300 nan 0.000 0.591 77 G N 0.319 109.195 108.800 0.127 0.000 2.351 77 G HA2 -0.001 3.958 3.960 -0.002 0.000 0.279 77 G HA3 -0.001 3.958 3.960 -0.002 0.000 0.279 77 G C -1.476 173.432 174.900 0.013 0.000 1.297 77 G CA -1.209 43.932 45.100 0.068 0.000 0.886 77 G HN 0.062 nan 8.290 nan 0.000 0.493 78 N N 1.553 120.253 118.700 0.001 0.000 2.452 78 N HA 0.167 4.906 4.740 -0.002 0.000 0.266 78 N C 0.672 176.151 175.510 -0.052 0.000 1.175 78 N CA 0.229 53.267 53.050 -0.020 0.000 0.945 78 N CB 0.800 39.280 38.487 -0.011 0.000 1.063 78 N HN 0.505 nan 8.380 nan 0.000 0.472 79 D N 2.790 123.151 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.561 4.640 -0.002 0.000 0.243 79 D C 0.929 177.181 176.300 -0.080 0.000 1.184 79 D CA 0.045 53.983 54.000 -0.104 0.000 0.853 79 D CB 0.164 40.900 40.800 -0.107 0.000 0.944 79 D HN 0.660 nan 8.370 nan 0.000 0.501 80 K N 1.059 121.426 120.400 -0.055 0.000 2.262 80 K HA -0.024 4.295 4.320 -0.002 0.000 0.200 80 K C 1.488 178.065 176.600 -0.039 0.000 1.049 80 K CA 0.042 56.307 56.287 -0.038 0.000 0.979 80 K CB -0.029 32.457 32.500 -0.023 0.000 0.773 80 K HN 0.162 nan 8.250 nan 0.000 0.474 81 L N 1.971 123.164 121.223 -0.049 0.000 2.660 81 L HA 0.289 4.628 4.340 -0.002 0.000 0.238 81 L C 0.223 177.056 176.870 -0.061 0.000 1.161 81 L CA 0.027 54.843 54.840 -0.040 0.000 0.937 81 L CB -0.208 41.836 42.059 -0.025 0.000 1.122 81 L HN 0.115 nan 8.230 nan 0.000 0.435 82 I N -0.233 120.280 120.570 -0.094 0.000 2.533 82 I HA 0.349 4.518 4.170 -0.002 0.000 0.290 82 I C -0.346 175.740 176.117 -0.052 0.000 1.056 82 I CA -0.519 60.715 61.300 -0.109 0.000 1.057 82 I CB 2.180 39.998 38.000 -0.302 0.000 1.240 82 I HN -0.006 nan 8.210 nan 0.000 0.423 83 K N 3.620 124.017 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.706 4.320 -0.002 0.000 0.245 83 K C -0.739 175.877 176.600 0.027 0.000 1.017 83 K CA -0.981 55.309 56.287 0.005 0.000 0.852 83 K CB 2.315 34.820 32.500 0.008 0.000 1.311 83 K HN 0.545 nan 8.250 nan 0.000 0.452 84 E N 0.101 120.313 120.200 0.020 0.000 2.442 84 E HA -0.046 4.303 4.350 -0.002 0.000 0.262 84 E C 0.569 177.189 176.600 0.034 0.000 1.004 84 E CA 1.454 57.871 56.400 0.028 0.000 0.928 84 E CB 0.199 29.908 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.011 112.838 108.800 0.044 0.000 2.284 85 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.247 85 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.247 85 G C -0.021 174.916 174.900 0.061 0.000 1.012 85 G CA 0.224 45.348 45.100 0.041 0.000 0.618 85 G HN 0.685 nan 8.290 nan 0.000 0.521 86 D N 0.685 121.134 120.400 0.081 0.000 2.548 86 D HA 0.300 4.939 4.640 -0.002 0.000 0.231 86 D C 0.807 177.174 176.300 0.112 0.000 1.142 86 D CA 0.337 54.401 54.000 0.107 0.000 0.866 86 D CB 0.425 41.317 40.800 0.153 0.000 1.190 86 D HN 0.310 nan 8.370 nan 0.000 0.469 87 I N 1.923 122.543 120.570 0.083 0.000 2.395 87 I HA 0.096 4.265 4.170 -0.002 0.000 0.289 87 I C -0.083 176.042 176.117 0.013 0.000 1.023 87 I CA -0.291 61.036 61.300 0.046 0.000 1.350 87 I CB 1.207 39.222 38.000 0.025 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.755 126.639 119.914 -0.050 0.000 2.513 88 V HA 0.516 4.635 4.120 -0.002 0.000 0.299 88 V C -0.112 175.889 176.094 -0.156 0.000 1.035 88 V CA -0.946 61.233 62.300 -0.203 0.000 0.889 88 V CB 1.464 33.076 31.823 -0.352 0.000 0.988 88 V HN 0.627 nan 8.190 nan 0.000 0.440 89 K N 3.409 123.708 120.400 -0.169 0.000 2.328 89 K HA 0.692 5.011 4.320 -0.002 0.000 0.246 89 K C -0.628 175.893 176.600 -0.132 0.000 0.955 89 K CA -0.953 55.265 56.287 -0.115 0.000 0.817 89 K CB 2.349 34.803 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.150 120.591 120.500 -0.098 0.000 2.615 90 R HA 0.111 4.450 4.340 -0.002 0.000 0.270 90 R C 1.005 177.257 176.300 -0.080 0.000 1.081 90 R CA -0.028 56.017 56.100 -0.092 0.000 1.154 90 R CB 0.585 30.843 30.300 -0.068 0.000 1.063 90 R HN 0.894 nan 8.270 nan 0.000 0.519 91 T N -2.701 111.806 114.554 -0.078 0.000 3.000 91 T HA 0.165 4.514 4.350 -0.002 0.000 0.248 91 T C 1.444 176.114 174.700 -0.049 0.000 1.034 91 T CA 0.501 62.562 62.100 -0.065 0.000 1.060 91 T CB 0.414 69.239 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.822 110.593 108.800 -0.049 0.000 2.304 92 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.252 92 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.252 92 G C 0.409 175.289 174.900 -0.033 0.000 1.014 92 G CA 0.069 45.147 45.100 -0.037 0.000 0.619 92 G HN 1.336 nan 8.290 nan 0.000 0.525 93 A N 0.825 123.623 122.820 -0.037 0.000 2.327 93 A HA 0.725 5.044 4.320 -0.002 0.000 0.283 93 A C 0.553 178.117 177.584 -0.034 0.000 1.127 93 A CA 0.116 52.134 52.037 -0.033 0.000 0.810 93 A CB 0.543 19.522 19.000 -0.035 0.000 1.066 93 A HN 1.467 nan 8.150 nan 0.000 0.492 94 I N 2.102 122.657 120.570 -0.024 0.000 2.783 94 I HA 0.474 4.643 4.170 -0.002 0.000 0.312 94 I C -0.292 175.815 176.117 -0.018 0.000 0.988 94 I CA -0.664 60.624 61.300 -0.020 0.000 1.182 94 I CB 1.613 39.605 38.000 -0.013 0.000 1.368 94 I HN 0.358 nan 8.210 nan 0.000 0.511 95 V N 5.708 125.617 119.914 -0.009 0.000 2.475 95 V HA 0.030 4.149 4.120 -0.002 0.000 0.292 95 V C 0.008 176.105 176.094 0.005 0.000 1.003 95 V CA 0.193 62.495 62.300 0.003 0.000 1.120 95 V CB -0.703 31.142 31.823 0.038 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.631 125.034 120.400 0.006 0.000 2.523 96 D HA 0.721 5.360 4.640 -0.002 0.000 0.236 96 D C -0.571 175.737 176.300 0.013 0.000 1.094 96 D CA -0.570 53.434 54.000 0.008 0.000 0.942 96 D CB 2.429 43.229 40.800 0.000 0.000 1.447 96 D HN 0.454 nan 8.370 nan 0.000 0.479 97 V N -4.689 115.232 119.914 0.012 0.000 3.130 97 V HA 0.702 4.821 4.120 -0.002 0.000 0.310 97 V C -2.913 173.175 176.094 -0.009 0.000 1.158 97 V CA -2.291 60.015 62.300 0.010 0.000 1.029 97 V CB 1.622 33.460 31.823 0.024 0.000 1.057 97 V HN 0.496 nan 8.190 nan 0.000 0.436 98 P HA 0.349 nan 4.420 nan 0.000 0.270 98 P C -0.609 176.643 177.300 -0.080 0.000 1.227 98 P CA 0.203 63.274 63.100 -0.048 0.000 0.788 98 P CB 0.957 32.630 31.700 -0.045 0.000 0.926 99 V N -0.624 119.198 119.914 -0.154 0.000 3.264 99 V HA 0.698 4.817 4.120 -0.002 0.000 0.294 99 V C -0.118 175.627 176.094 -0.582 0.000 1.429 99 V CA 0.473 62.609 62.300 -0.274 0.000 1.053 99 V CB 1.681 33.402 31.823 -0.170 0.000 1.128 99 V HN 1.077 nan 8.190 nan 0.000 0.452 100 G N 2.196 110.313 108.800 -1.138 0.000 2.592 100 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.684 100 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.684 100 G C 0.187 174.555 174.900 -0.887 0.000 1.291 100 G CA 0.150 44.093 45.100 -1.929 0.000 0.891 100 G HN 0.870 nan 8.290 nan 0.000 0.544 101 E N 0.587 120.426 120.200 -0.602 0.000 2.273 101 E HA -0.192 4.157 4.350 -0.002 0.000 0.198 101 E C 2.114 178.669 176.600 -0.075 0.000 1.002 101 E CA 1.624 57.931 56.400 -0.155 0.000 0.828 101 E CB -0.079 29.598 29.700 -0.039 0.000 0.747 101 E HN 0.745 nan 8.360 nan 0.000 0.491 102 E N 1.076 121.202 120.200 -0.122 0.000 2.274 102 E HA -0.099 4.250 4.350 -0.002 0.000 0.194 102 E C 2.154 178.734 176.600 -0.034 0.000 0.996 102 E CA 0.408 56.773 56.400 -0.058 0.000 0.840 102 E CB -0.320 29.343 29.700 -0.062 0.000 0.772 102 E HN 0.348 nan 8.360 nan 0.000 0.491 103 L N 0.947 122.142 121.223 -0.047 0.000 2.362 103 L HA 0.035 4.374 4.340 -0.002 0.000 0.219 103 L C 1.346 178.240 176.870 0.040 0.000 1.134 103 L CA 0.260 55.097 54.840 -0.005 0.000 0.807 103 L CB -0.632 41.423 42.059 -0.008 0.000 0.927 103 L HN 0.068 nan 8.230 nan 0.000 0.447 104 L N 0.555 121.821 121.223 0.072 0.000 2.573 104 L HA -0.025 4.314 4.340 -0.002 0.000 0.290 104 L C 1.447 178.350 176.870 0.056 0.000 1.247 104 L CA 0.778 55.677 54.840 0.099 0.000 0.876 104 L CB -0.320 41.827 42.059 0.146 0.000 1.123 104 L HN 0.392 nan 8.230 nan 0.000 0.505 105 G N 1.535 110.355 108.800 0.034 0.000 2.203 105 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.263 105 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.263 105 G C 0.200 175.102 174.900 0.003 0.000 1.012 105 G CA -0.057 45.044 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.218 119.290 120.500 0.013 0.000 2.854 106 R HA 0.723 5.062 4.340 -0.002 0.000 0.271 106 R C -0.366 175.944 176.300 0.016 0.000 0.996 106 R CA -1.001 55.106 56.100 0.012 0.000 0.961 106 R CB 1.859 32.167 30.300 0.014 0.000 1.182 106 R HN 0.242 nan 8.270 nan 0.000 0.479 107 V N 2.426 122.349 119.914 0.015 0.000 2.326 107 V HA 0.353 4.472 4.120 -0.002 0.000 0.281 107 V C -0.032 176.077 176.094 0.026 0.000 1.015 107 V CA -0.822 61.491 62.300 0.022 0.000 0.823 107 V CB 1.347 33.179 31.823 0.016 0.000 1.009 107 V HN 0.542 nan 8.190 nan 0.000 0.436 108 V N 1.158 121.092 119.914 0.033 0.000 2.815 108 V HA 0.788 4.907 4.120 -0.002 0.000 0.314 108 V C -0.043 176.075 176.094 0.040 0.000 1.064 108 V CA -0.824 61.496 62.300 0.033 0.000 0.952 108 V CB 1.968 33.809 31.823 0.031 0.000 1.020 108 V HN 0.753 nan 8.190 nan 0.000 0.439 109 D N 3.074 123.499 120.400 0.041 0.000 2.398 109 D HA 0.375 5.014 4.640 -0.002 0.000 0.264 109 D C 1.251 177.581 176.300 0.050 0.000 1.263 109 D CA 0.121 54.149 54.000 0.046 0.000 1.037 109 D CB 0.814 41.645 40.800 0.051 0.000 1.101 109 D HN 0.772 nan 8.370 nan 0.000 0.551 110 A N -0.868 121.984 122.820 0.053 0.000 2.067 110 A HA -0.008 4.311 4.320 -0.002 0.000 0.219 110 A C 2.147 179.776 177.584 0.075 0.000 1.158 110 A CA 0.728 52.797 52.037 0.054 0.000 0.661 110 A CB -0.728 18.298 19.000 0.042 0.000 0.801 110 A HN 0.519 nan 8.150 nan 0.000 0.452 111 L N -1.510 119.766 121.223 0.088 0.000 2.628 111 L HA 0.245 4.584 4.340 -0.002 0.000 0.229 111 L C 1.598 178.502 176.870 0.058 0.000 1.137 111 L CA 0.489 55.384 54.840 0.091 0.000 0.909 111 L CB -0.055 42.077 42.059 0.122 0.000 1.137 111 L HN 0.545 nan 8.230 nan 0.000 0.470 112 G N -0.267 108.561 108.800 0.047 0.000 2.176 112 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.253 112 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.253 112 G C 0.226 175.141 174.900 0.025 0.000 0.979 112 G CA -0.305 44.813 45.100 0.030 0.000 0.641 112 G HN 0.381 nan 8.290 nan 0.000 0.530 113 N N 1.175 119.895 118.700 0.034 0.000 2.518 113 N HA 0.478 5.217 4.740 -0.002 0.000 0.266 113 N C 0.605 176.131 175.510 0.026 0.000 1.196 113 N CA 0.739 53.806 53.050 0.029 0.000 0.947 113 N CB 1.167 39.676 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.073 124.904 122.820 0.019 0.000 2.409 114 A HA 0.281 4.600 4.320 -0.002 0.000 0.262 114 A C 1.276 178.871 177.584 0.019 0.000 1.113 114 A CA -0.343 51.704 52.037 0.017 0.000 0.790 114 A CB -0.391 18.615 19.000 0.011 0.000 1.046 114 A HN 0.807 nan 8.150 nan 0.000 0.496 115 I N -0.508 120.074 120.570 0.020 0.000 4.147 115 I HA 0.245 4.414 4.170 -0.002 0.000 0.329 115 I C 0.373 176.499 176.117 0.015 0.000 1.424 115 I CA -0.004 61.308 61.300 0.020 0.000 1.127 115 I CB 0.460 38.475 38.000 0.025 0.000 1.128 115 I HN 0.454 nan 8.210 nan 0.000 0.417 116 D N 1.267 121.674 120.400 0.011 0.000 2.328 116 D HA 0.115 4.754 4.640 -0.002 0.000 0.221 116 D C 1.639 177.941 176.300 0.004 0.000 1.072 116 D CA 0.361 54.364 54.000 0.006 0.000 0.850 116 D CB -0.112 40.690 40.800 0.003 0.000 0.922 116 D HN 0.409 nan 8.370 nan 0.000 0.516 117 G N 1.126 109.930 108.800 0.007 0.000 2.296 117 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.282 117 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.282 117 G C 0.746 175.648 174.900 0.004 0.000 1.014 117 G CA 0.594 45.698 45.100 0.006 0.000 0.812 117 G HN 0.477 nan 8.290 nan 0.000 0.508 118 K N 0.088 120.490 120.400 0.003 0.000 2.446 118 K HA 0.446 4.765 4.320 -0.002 0.000 0.203 118 K C 1.280 177.882 176.600 0.002 0.000 1.027 118 K CA 0.406 56.694 56.287 0.002 0.000 1.166 118 K CB 0.175 32.675 32.500 0.001 0.000 0.869 118 K HN 1.362 nan 8.250 nan 0.000 0.504 119 G N 2.633 111.435 108.800 0.003 0.000 2.662 119 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.686 119 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.686 119 G C -2.924 171.977 174.900 0.002 0.000 1.271 119 G CA -1.298 43.803 45.100 0.003 0.000 0.816 119 G HN -0.034 nan 8.290 nan 0.000 0.608 120 P HA 0.365 nan 4.420 nan 0.000 0.269 120 P C 0.714 178.011 177.300 -0.005 0.000 1.209 120 P CA -0.242 62.858 63.100 -0.001 0.000 0.776 120 P CB 0.472 32.171 31.700 -0.002 0.000 0.876 121 I N -0.924 119.642 120.570 -0.007 0.000 2.416 121 I HA 0.271 4.440 4.170 -0.002 0.000 0.288 121 I C 0.891 176.994 176.117 -0.022 0.000 1.051 121 I CA -0.297 60.994 61.300 -0.015 0.000 1.375 121 I CB 0.079 38.068 38.000 -0.018 0.000 1.407 121 I HN 0.408 nan 8.210 nan 0.000 0.516 122 G N 5.387 114.172 108.800 -0.025 0.000 3.455 122 G HA2 0.169 4.128 3.960 -0.002 0.000 0.250 122 G HA3 0.169 4.128 3.960 -0.002 0.000 0.250 122 G C 0.478 175.352 174.900 -0.044 0.000 1.071 122 G CA -0.360 44.723 45.100 -0.028 0.000 1.812 122 G HN 0.848 nan 8.290 nan 0.000 0.643 123 S N -0.439 115.230 115.700 -0.052 0.000 2.481 123 S HA 0.319 4.788 4.470 -0.002 0.000 0.276 123 S C 0.983 175.546 174.600 -0.062 0.000 1.247 123 S CA -0.609 57.546 58.200 -0.075 0.000 1.053 123 S CB 2.315 65.467 63.200 -0.081 0.000 0.925 123 S HN 0.376 nan 8.310 nan 0.000 0.491 124 K N 2.653 123.011 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.555 4.320 -0.002 0.000 0.208 124 K C 1.066 177.641 176.600 -0.043 0.000 1.038 124 K CA 0.987 57.247 56.287 -0.045 0.000 0.943 124 K CB -0.313 32.166 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.661 124.448 122.820 -0.055 0.000 2.371 125 A HA 0.267 4.586 4.320 -0.002 0.000 0.257 125 A C -0.501 177.053 177.584 -0.050 0.000 1.089 125 A CA -0.036 51.981 52.037 -0.033 0.000 0.794 125 A CB 0.284 19.285 19.000 0.002 0.000 1.029 125 A HN 0.228 nan 8.150 nan 0.000 0.488 126 R N 1.102 121.588 120.500 -0.023 0.000 2.513 126 R HA 0.458 4.797 4.340 -0.002 0.000 0.301 126 R C -0.474 175.824 176.300 -0.004 0.000 0.968 126 R CA -0.595 55.493 56.100 -0.021 0.000 0.872 126 R CB 2.365 32.656 30.300 -0.016 0.000 1.177 126 R HN 0.869 nan 8.270 nan 0.000 0.444 127 R N 1.526 122.027 120.500 0.001 0.000 2.787 127 R HA 0.397 4.736 4.340 -0.002 0.000 0.271 127 R C -0.478 175.831 176.300 0.014 0.000 0.993 127 R CA -0.739 55.371 56.100 0.016 0.000 0.993 127 R CB 1.472 31.790 30.300 0.031 0.000 1.155 127 R HN 0.443 nan 8.270 nan 0.000 0.486 128 R N 1.584 122.092 120.500 0.014 0.000 2.390 128 R HA 0.064 4.403 4.340 -0.002 0.000 0.291 128 R C 1.470 177.778 176.300 0.013 0.000 1.070 128 R CA -0.094 56.011 56.100 0.008 0.000 1.014 128 R CB 1.287 31.587 30.300 0.000 0.000 1.007 128 R HN 0.632 nan 8.270 nan 0.000 0.466 129 V N 1.337 121.258 119.914 0.012 0.000 2.295 129 V HA -0.003 4.116 4.120 -0.002 0.000 0.246 129 V C 0.949 177.043 176.094 0.000 0.000 1.049 129 V CA 1.534 63.850 62.300 0.027 0.000 1.024 129 V CB -0.585 31.258 31.823 0.032 0.000 0.648 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 G N 1.061 109.815 108.800 -0.077 0.000 2.428 130 G HA2 0.638 4.598 3.960 -0.002 0.000 0.320 130 G HA3 0.638 4.598 3.960 -0.002 0.000 0.320 130 G C -0.901 173.959 174.900 -0.066 0.000 1.098 130 G CA -0.423 44.593 45.100 -0.141 0.000 0.984 130 G HN 0.384 nan 8.290 nan 0.000 0.444 131 L N 0.982 122.190 121.223 -0.025 0.000 2.301 131 L HA 0.563 4.902 4.340 -0.002 0.000 0.264 131 L C 0.347 177.213 176.870 -0.006 0.000 1.016 131 L CA -1.209 53.624 54.840 -0.011 0.000 0.821 131 L CB 2.431 44.493 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.769 121.168 120.400 -0.001 0.000 2.237 132 K HA 0.533 4.852 4.320 -0.002 0.000 0.270 132 K C -0.174 176.427 176.600 0.001 0.000 1.015 132 K CA -0.274 56.016 56.287 0.005 0.000 0.949 132 K CB 1.245 33.752 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.424 127.246 122.820 0.005 0.000 2.448 133 A HA 0.232 4.551 4.320 -0.002 0.000 0.239 133 A C -2.122 175.442 177.584 -0.033 0.000 1.080 133 A CA -1.041 50.991 52.037 -0.007 0.000 0.779 133 A CB -0.531 18.469 19.000 0.001 0.000 1.026 133 A HN 0.620 nan 8.150 nan 0.000 0.499 134 P HA 0.167 nan 4.420 nan 0.000 0.268 134 P C 0.650 177.893 177.300 -0.095 0.000 1.204 134 P CA 0.503 63.530 63.100 -0.122 0.000 0.768 134 P CB 0.295 31.890 31.700 -0.175 0.000 0.842 135 G N 1.932 110.673 108.800 -0.098 0.000 2.527 135 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.279 135 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.279 135 G C 0.984 175.850 174.900 -0.057 0.000 1.374 135 G CA -0.537 44.529 45.100 -0.057 0.000 1.053 135 G HN 0.586 nan 8.290 nan 0.000 0.539 136 I N -0.902 119.652 120.570 -0.028 0.000 2.500 136 I HA -0.055 4.114 4.170 -0.002 0.000 0.252 136 I C 2.041 178.151 176.117 -0.012 0.000 1.142 136 I CA 0.544 61.836 61.300 -0.014 0.000 1.451 136 I CB 0.022 38.023 38.000 0.001 0.000 1.093 136 I HN 0.214 nan 8.210 nan 0.000 0.430 137 I N 2.069 122.634 120.570 -0.008 0.000 2.333 137 I HA -0.049 4.120 4.170 -0.002 0.000 0.246 137 I C -0.418 175.714 176.117 0.025 0.000 1.106 137 I CA 1.083 62.396 61.300 0.022 0.000 1.411 137 I CB -2.905 35.126 38.000 0.052 0.000 1.082 137 I HN 0.202 nan 8.210 nan 0.000 0.420 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.336 177.562 177.300 -0.125 0.000 1.184 138 P CA 0.832 63.790 63.100 -0.236 0.000 0.760 138 P CB 0.032 31.199 31.700 -0.889 0.000 0.884 139 R N -0.307 120.167 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.157 4.340 -0.002 0.000 0.228 139 R C -0.305 176.009 176.300 0.024 0.000 1.421 139 R CA -1.071 55.020 56.100 -0.015 0.000 1.073 139 R CB 1.045 31.329 30.300 -0.027 0.000 1.568 139 R HN -0.099 nan 8.270 nan 0.000 0.514 140 I N -2.062 118.521 120.570 0.023 0.000 2.882 140 I HA 0.212 4.381 4.170 -0.002 0.000 0.298 140 I C -0.986 175.144 176.117 0.021 0.000 1.462 140 I CA -0.332 60.984 61.300 0.028 0.000 1.000 140 I CB 2.512 40.536 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.702 118.412 115.700 0.017 0.000 2.599 141 S HA 0.125 4.594 4.470 -0.002 0.000 0.303 141 S C -0.091 174.516 174.600 0.011 0.000 1.267 141 S CA -0.268 57.940 58.200 0.012 0.000 1.055 141 S CB 0.207 63.413 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.284 125.202 119.914 0.007 0.000 2.485 142 V HA 0.084 4.203 4.120 -0.002 0.000 0.287 142 V C 1.148 177.238 176.094 -0.006 0.000 1.022 142 V CA 0.899 63.201 62.300 0.002 0.000 1.067 142 V CB 0.559 32.380 31.823 -0.003 0.000 0.967 142 V HN 0.831 nan 8.190 nan 0.000 0.479 143 R N 2.141 122.634 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.558 4.340 -0.002 0.000 0.237 143 R C 0.081 176.355 176.300 -0.043 0.000 0.917 143 R CA -0.194 55.894 56.100 -0.020 0.000 1.002 143 R CB 0.736 31.030 30.300 -0.010 0.000 1.428 143 R HN 0.684 nan 8.270 nan 0.000 0.603 144 E N 2.591 122.753 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.531 4.350 -0.002 0.000 0.283 144 E C -2.474 174.048 176.600 -0.130 0.000 1.030 144 E CA -2.287 54.044 56.400 -0.114 0.000 0.836 144 E CB 0.860 30.453 29.700 -0.177 0.000 1.068 144 E HN -0.107 nan 8.360 nan 0.000 0.401 145 P HA -0.063 nan 4.420 nan 0.000 0.267 145 P C -0.648 176.540 177.300 -0.187 0.000 1.200 145 P CA 0.201 63.222 63.100 -0.132 0.000 0.772 145 P CB 0.452 32.079 31.700 -0.122 0.000 0.855 146 M N 3.300 122.813 119.600 -0.145 0.000 2.018 146 M HA 0.170 4.649 4.480 -0.002 0.000 0.311 146 M C -0.726 175.508 176.300 -0.110 0.000 0.928 146 M CA -0.294 54.914 55.300 -0.153 0.000 0.911 146 M CB 0.674 33.210 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.115 121.843 119.800 -0.121 0.000 2.243 147 Q HA 0.340 4.679 4.340 -0.002 0.000 0.252 147 Q C 0.955 176.967 176.000 0.019 0.000 0.909 147 Q CA -0.191 55.597 55.803 -0.026 0.000 0.922 147 Q CB 1.414 30.169 28.738 0.028 0.000 1.215 147 Q HN 0.761 nan 8.270 nan 0.000 0.427 148 T N -1.973 112.592 114.554 0.018 0.000 3.010 148 T HA 0.200 4.549 4.350 -0.002 0.000 0.252 148 T C 1.244 175.965 174.700 0.035 0.000 1.047 148 T CA 0.672 62.785 62.100 0.022 0.000 1.140 148 T CB 0.107 68.977 68.868 0.003 0.000 0.885 148 T HN 0.913 nan 8.240 nan 0.000 0.464 149 G N 1.350 110.171 108.800 0.035 0.000 2.179 149 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.220 149 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.220 149 G C -0.044 174.864 174.900 0.013 0.000 0.990 149 G CA -0.149 44.968 45.100 0.029 0.000 0.646 149 G HN 0.630 nan 8.290 nan 0.000 0.517 150 I N 2.483 123.059 120.570 0.009 0.000 2.304 150 I HA 0.241 4.410 4.170 -0.002 0.000 0.291 150 I C 1.784 177.906 176.117 0.008 0.000 1.018 150 I CA -0.715 60.587 61.300 0.003 0.000 1.260 150 I CB 1.289 39.286 38.000 -0.005 0.000 1.390 150 I HN 0.173 nan 8.210 nan 0.000 0.475 151 K N 5.718 126.125 120.400 0.011 0.000 2.009 151 K HA -0.211 4.108 4.320 -0.002 0.000 0.210 151 K C 1.897 178.505 176.600 0.013 0.000 1.049 151 K CA 1.610 57.906 56.287 0.015 0.000 0.929 151 K CB -0.587 31.924 32.500 0.019 0.000 0.714 151 K HN 0.651 nan 8.250 nan 0.000 0.440 152 A N 1.967 124.794 122.820 0.012 0.000 1.903 152 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 152 A C 2.589 180.182 177.584 0.014 0.000 1.191 152 A CA 2.264 54.310 52.037 0.015 0.000 0.638 152 A CB -0.980 18.031 19.000 0.018 0.000 0.823 152 A HN 0.164 nan 8.150 nan 0.000 0.451 153 V N 0.387 120.307 119.914 0.009 0.000 2.244 153 V HA -0.227 3.892 4.120 -0.002 0.000 0.244 153 V C 2.202 178.298 176.094 0.003 0.000 1.042 153 V CA 2.248 64.550 62.300 0.004 0.000 1.006 153 V CB -0.955 30.867 31.823 -0.003 0.000 0.641 153 V HN 0.490 nan 8.190 nan 0.000 0.446 154 D N 0.522 120.924 120.400 0.004 0.000 2.228 154 D HA -0.125 4.514 4.640 -0.002 0.000 0.203 154 D C 2.320 178.624 176.300 0.007 0.000 0.988 154 D CA 1.853 55.855 54.000 0.004 0.000 0.864 154 D CB -0.113 40.693 40.800 0.010 0.000 0.928 154 D HN 0.636 nan 8.370 nan 0.000 0.469 155 S N -1.254 114.452 115.700 0.011 0.000 2.492 155 S HA 0.136 4.605 4.470 -0.002 0.000 0.218 155 S C 1.731 176.338 174.600 0.011 0.000 1.016 155 S CA -0.100 58.107 58.200 0.012 0.000 0.916 155 S CB 0.246 63.456 63.200 0.016 0.000 0.791 155 S HN 0.183 nan 8.310 nan 0.000 0.513 156 L N 0.763 121.994 121.223 0.013 0.000 2.920 156 L HA 0.437 4.776 4.340 -0.002 0.000 0.257 156 L C -0.407 176.474 176.870 0.017 0.000 1.150 156 L CA -0.048 54.802 54.840 0.016 0.000 0.959 156 L CB 1.423 43.495 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.058 119.863 119.914 0.011 0.000 2.719 157 V HA 0.206 4.325 4.120 -0.002 0.000 0.330 157 V C -2.487 173.605 176.094 -0.003 0.000 1.224 157 V CA -1.035 61.270 62.300 0.008 0.000 1.314 157 V CB 0.257 32.086 31.823 0.009 0.000 1.416 157 V HN -0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.101 nan 4.420 nan 0.000 0.261 158 P C -0.551 176.738 177.300 -0.020 0.000 1.173 158 P CA 0.620 63.713 63.100 -0.012 0.000 0.760 158 P CB 0.938 32.631 31.700 -0.011 0.000 0.783 159 I N 2.441 122.994 120.570 -0.029 0.000 2.441 159 I HA 0.514 4.683 4.170 -0.002 0.000 0.295 159 I C 1.060 177.149 176.117 -0.047 0.000 0.994 159 I CA -0.610 60.668 61.300 -0.036 0.000 1.144 159 I CB 1.112 39.088 38.000 -0.040 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 5.280 114.054 108.800 -0.042 0.000 2.489 160 G HA2 0.572 4.531 3.960 -0.002 0.000 0.327 160 G HA3 0.572 4.531 3.960 -0.002 0.000 0.327 160 G C -0.429 174.442 174.900 -0.048 0.000 1.189 160 G CA -0.935 44.134 45.100 -0.052 0.000 0.962 160 G HN 0.512 nan 8.290 nan 0.000 0.486 161 R N -0.121 120.345 120.500 -0.057 0.000 2.347 161 R HA 0.429 4.768 4.340 -0.002 0.000 0.304 161 R C 1.073 177.383 176.300 0.015 0.000 1.072 161 R CA 0.814 56.899 56.100 -0.025 0.000 0.980 161 R CB 0.924 31.202 30.300 -0.037 0.000 0.986 161 R HN 1.132 nan 8.270 nan 0.000 0.448 162 G N 1.711 110.525 108.800 0.022 0.000 2.238 162 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.217 162 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.217 162 G C 0.239 175.143 174.900 0.006 0.000 0.996 162 G CA -0.059 45.055 45.100 0.022 0.000 0.632 162 G HN 0.591 nan 8.290 nan 0.000 0.503 163 Q N 0.305 120.103 119.800 -0.004 0.000 2.417 163 Q HA 0.600 4.939 4.340 -0.002 0.000 0.241 163 Q C -0.156 175.836 176.000 -0.014 0.000 1.008 163 Q CA -0.160 55.637 55.803 -0.010 0.000 0.901 163 Q CB 0.321 29.048 28.738 -0.018 0.000 1.259 163 Q HN 0.309 nan 8.270 nan 0.000 0.489 164 R N 2.330 122.821 120.500 -0.015 0.000 2.352 164 R HA 0.262 4.601 4.340 -0.002 0.000 0.304 164 R C -1.468 174.812 176.300 -0.034 0.000 1.104 164 R CA -0.473 55.615 56.100 -0.019 0.000 0.991 164 R CB 1.316 31.607 30.300 -0.015 0.000 1.140 164 R HN 0.456 nan 8.270 nan 0.000 0.540 165 E N 2.556 122.729 120.200 -0.045 0.000 2.145 165 E HA 0.315 4.664 4.350 -0.002 0.000 0.270 165 E C -1.263 175.287 176.600 -0.084 0.000 0.906 165 E CA -0.861 55.502 56.400 -0.061 0.000 0.761 165 E CB 0.966 30.633 29.700 -0.055 0.000 1.116 165 E HN 0.388 nan 8.360 nan 0.000 0.408 166 L N 5.293 126.447 121.223 -0.116 0.000 2.350 166 L HA 0.500 4.839 4.340 -0.002 0.000 0.275 166 L C -0.910 175.852 176.870 -0.180 0.000 1.099 166 L CA -0.129 54.624 54.840 -0.144 0.000 0.808 166 L CB 0.686 42.644 42.059 -0.169 0.000 1.149 166 L HN 0.650 nan 8.230 nan 0.000 0.442 167 I N 6.614 127.095 120.570 -0.148 0.000 2.312 167 I HA 0.396 4.566 4.170 -0.002 0.000 0.290 167 I C -0.314 175.707 176.117 -0.159 0.000 1.008 167 I CA -0.108 61.105 61.300 -0.145 0.000 1.226 167 I CB 1.258 39.204 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.278 125.720 120.570 -0.213 0.000 2.730 168 I HA 0.927 5.096 4.170 -0.002 0.000 0.298 168 I C -0.229 175.857 176.117 -0.053 0.000 1.089 168 I CA -0.037 61.171 61.300 -0.153 0.000 1.041 168 I CB 2.057 39.908 38.000 -0.247 0.000 1.235 168 I HN 0.679 nan 8.210 nan 0.000 0.423 169 G N 4.748 113.549 108.800 0.002 0.000 2.322 169 G HA2 0.197 4.156 3.960 -0.002 0.000 0.295 169 G HA3 0.197 4.156 3.960 -0.002 0.000 0.295 169 G C -1.906 173.008 174.900 0.024 0.000 1.369 169 G CA -0.708 44.417 45.100 0.041 0.000 0.821 169 G HN 0.509 nan 8.290 nan 0.000 0.536 170 D N 0.033 120.446 120.400 0.022 0.000 2.414 170 D HA 0.339 4.978 4.640 -0.002 0.000 0.259 170 D C 1.131 177.422 176.300 -0.016 0.000 1.269 170 D CA -0.157 53.850 54.000 0.013 0.000 1.028 170 D CB 0.409 41.222 40.800 0.021 0.000 1.093 170 D HN 0.670 nan 8.370 nan 0.000 0.545 171 R N 0.104 120.597 120.500 -0.011 0.000 2.734 171 R HA 0.032 4.371 4.340 -0.002 0.000 0.266 171 R C -0.100 176.158 176.300 -0.069 0.000 1.044 171 R CA -0.328 55.757 56.100 -0.024 0.000 1.128 171 R CB 0.050 30.347 30.300 -0.005 0.000 1.010 171 R HN 0.169 nan 8.270 nan 0.000 0.461 172 Q N 0.250 119.997 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.177 4.340 -0.002 0.000 0.332 172 Q C -0.088 175.700 176.000 -0.353 0.000 1.355 172 Q CA 1.660 57.360 55.803 -0.171 0.000 0.947 172 Q CB -1.406 27.257 28.738 -0.125 0.000 1.189 172 Q HN 0.990 nan 8.270 nan 0.000 0.418 173 T N -4.987 109.384 114.554 -0.305 0.000 2.985 173 T HA 0.431 4.780 4.350 -0.002 0.000 0.254 173 T C 1.194 175.724 174.700 -0.283 0.000 1.021 173 T CA 0.518 62.384 62.100 -0.391 0.000 0.957 173 T CB 1.188 69.957 68.868 -0.164 0.000 1.047 173 T HN 0.651 nan 8.240 nan 0.000 0.511 174 G N 1.683 110.379 108.800 -0.174 0.000 2.183 174 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.168 174 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.168 174 G C 0.771 175.653 174.900 -0.029 0.000 1.008 174 G CA 0.124 45.195 45.100 -0.048 0.000 0.677 174 G HN 0.417 nan 8.290 nan 0.000 0.498 175 K N 0.098 120.475 120.400 -0.038 0.000 1.987 175 K HA -0.090 4.229 4.320 -0.002 0.000 0.216 175 K C 2.534 179.132 176.600 -0.005 0.000 1.051 175 K CA 2.145 58.417 56.287 -0.026 0.000 0.942 175 K CB -0.424 32.057 32.500 -0.031 0.000 0.722 175 K HN 0.286 nan 8.250 nan 0.000 0.444 176 T N 0.905 115.469 114.554 0.016 0.000 2.833 176 T HA -0.098 4.251 4.350 -0.002 0.000 0.269 176 T C 2.051 176.768 174.700 0.028 0.000 1.054 176 T CA 1.410 63.549 62.100 0.064 0.000 1.135 176 T CB -0.188 68.740 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.481 117.172 115.700 -0.015 0.000 2.359 177 S HA -0.085 4.384 4.470 -0.002 0.000 0.224 177 S C 2.037 176.598 174.600 -0.065 0.000 1.035 177 S CA 0.830 58.986 58.200 -0.073 0.000 1.018 177 S CB -0.395 62.744 63.200 -0.102 0.000 0.876 177 S HN 0.318 nan 8.310 nan 0.000 0.448 178 I N 2.395 122.944 120.570 -0.036 0.000 2.113 178 I HA -0.256 3.913 4.170 -0.002 0.000 0.242 178 I C 2.765 178.876 176.117 -0.011 0.000 1.064 178 I CA 1.576 62.860 61.300 -0.027 0.000 1.320 178 I CB -1.980 36.008 38.000 -0.021 0.000 1.028 178 I HN 0.257 nan 8.210 nan 0.000 0.406 179 A N 1.309 124.137 122.820 0.014 0.000 1.865 179 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 179 A C 2.305 179.917 177.584 0.048 0.000 1.191 179 A CA 1.675 53.740 52.037 0.046 0.000 0.623 179 A CB -0.742 18.325 19.000 0.112 0.000 0.826 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.447 121.033 120.570 0.028 0.000 2.091 180 I HA -0.252 3.917 4.170 -0.002 0.000 0.239 180 I C 2.042 178.162 176.117 0.006 0.000 1.061 180 I CA 2.063 63.363 61.300 0.001 0.000 1.317 180 I CB -1.777 36.213 38.000 -0.017 0.000 1.031 180 I HN 0.297 nan 8.210 nan 0.000 0.401 181 D N 0.590 120.968 120.400 -0.038 0.000 2.149 181 D HA -0.174 4.465 4.640 -0.002 0.000 0.194 181 D C 2.181 178.493 176.300 0.020 0.000 1.001 181 D CA 1.782 55.766 54.000 -0.026 0.000 0.849 181 D CB -0.349 40.413 40.800 -0.064 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.626 115.192 114.554 0.021 0.000 2.684 182 T HA -0.126 4.223 4.350 -0.002 0.000 0.267 182 T C 2.161 176.906 174.700 0.075 0.000 1.036 182 T CA 0.830 62.953 62.100 0.038 0.000 1.148 182 T CB -0.279 68.602 68.868 0.022 0.000 0.863 182 T HN 0.181 nan 8.240 nan 0.000 0.436 183 I N 0.888 121.512 120.570 0.089 0.000 2.142 183 I HA -0.169 4.000 4.170 -0.002 0.000 0.240 183 I C 2.344 178.603 176.117 0.236 0.000 1.078 183 I CA 1.049 62.443 61.300 0.157 0.000 1.343 183 I CB -0.513 37.548 38.000 0.101 0.000 1.046 183 I HN 0.195 nan 8.210 nan 0.000 0.405 184 I N 1.103 121.760 120.570 0.145 0.000 2.113 184 I HA -0.375 3.794 4.170 -0.002 0.000 0.242 184 I C 2.341 178.558 176.117 0.166 0.000 1.064 184 I CA 2.046 63.439 61.300 0.155 0.000 1.320 184 I CB -1.724 36.336 38.000 0.100 0.000 1.028 184 I HN 0.383 nan 8.210 nan 0.000 0.406 185 N N 0.981 119.741 118.700 0.101 0.000 2.184 185 N HA -0.242 4.497 4.740 -0.002 0.000 0.190 185 N C 1.592 177.122 175.510 0.033 0.000 1.011 185 N CA 1.272 54.356 53.050 0.056 0.000 0.867 185 N CB -0.022 38.511 38.487 0.077 0.000 0.993 185 N HN 0.306 nan 8.380 nan 0.000 0.433 186 Q N 0.111 119.950 119.800 0.065 0.000 2.541 186 Q HA -0.055 4.284 4.340 -0.002 0.000 0.215 186 Q C 1.488 177.281 176.000 -0.345 0.000 0.977 186 Q CA 0.505 56.294 55.803 -0.024 0.000 0.934 186 Q CB -0.127 28.490 28.738 -0.202 0.000 0.988 186 Q HN 0.534 nan 8.270 nan 0.000 0.521 187 K N 1.147 121.399 120.400 -0.247 0.000 2.155 187 K HA -0.081 4.238 4.320 -0.002 0.000 0.203 187 K C 1.735 178.161 176.600 -0.290 0.000 1.052 187 K CA 0.543 56.704 56.287 -0.210 0.000 0.948 187 K CB 0.208 32.752 32.500 0.072 0.000 0.728 187 K HN 0.150 nan 8.250 nan 0.000 0.448 188 R N -0.415 119.806 120.500 -0.465 0.000 2.117 188 R HA -0.156 4.183 4.340 -0.002 0.000 0.243 188 R C 1.875 177.761 176.300 -0.689 0.000 1.143 188 R CA 1.760 57.468 56.100 -0.652 0.000 0.968 188 R CB -0.435 29.276 30.300 -0.982 0.000 0.863 188 R HN 0.207 nan 8.270 nan 0.000 0.444 189 F N 0.291 120.136 119.950 -0.174 0.000 2.530 189 F HA 0.184 4.710 4.527 -0.001 0.000 0.292 189 F C 1.742 177.415 175.800 -0.211 0.000 1.109 189 F CA -0.032 57.861 58.000 -0.178 0.000 1.450 189 F CB -0.277 38.605 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.243 118.841 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.643 4.740 -0.002 0.000 0.182 190 N C 0.748 176.204 175.510 -0.089 0.000 1.076 190 N CA 0.887 53.808 53.050 -0.216 0.000 0.908 190 N CB -0.222 37.964 38.487 -0.502 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.506 119.844 120.400 -0.084 0.000 2.367 191 D HA 0.107 4.746 4.640 -0.002 0.000 0.207 191 D C 1.088 177.370 176.300 -0.030 0.000 1.034 191 D CA 0.123 54.100 54.000 -0.037 0.000 0.861 191 D CB 0.236 41.010 40.800 -0.043 0.000 0.943 191 D HN 0.089 nan 8.370 nan 0.000 0.515 192 G N -0.159 108.619 108.800 -0.036 0.000 2.616 192 G HA2 0.268 4.227 3.960 -0.002 0.000 0.268 192 G HA3 0.268 4.227 3.960 -0.002 0.000 0.268 192 G C 1.059 175.965 174.900 0.009 0.000 1.213 192 G CA 0.009 45.101 45.100 -0.013 0.000 0.926 192 G HN 0.055 nan 8.290 nan 0.000 0.523 193 T N -1.251 113.312 114.554 0.015 0.000 3.010 193 T HA 0.021 4.370 4.350 -0.002 0.000 0.252 193 T C 0.875 175.592 174.700 0.029 0.000 1.047 193 T CA 0.444 62.557 62.100 0.022 0.000 1.140 193 T CB -0.029 68.849 68.868 0.016 0.000 0.885 193 T HN 0.448 nan 8.240 nan 0.000 0.464 194 D N 2.334 122.751 120.400 0.029 0.000 2.368 194 D HA 0.033 4.672 4.640 -0.002 0.000 0.268 194 D C 0.612 176.932 176.300 0.033 0.000 1.298 194 D CA 0.111 54.128 54.000 0.028 0.000 0.938 194 D CB 0.598 41.414 40.800 0.026 0.000 1.101 194 D HN 0.311 nan 8.370 nan 0.000 0.509 195 E N 2.129 122.356 120.200 0.046 0.000 2.511 195 E HA -0.038 4.311 4.350 -0.002 0.000 0.196 195 E C 0.988 177.636 176.600 0.081 0.000 1.066 195 E CA 0.459 56.900 56.400 0.069 0.000 0.871 195 E CB 0.321 30.076 29.700 0.090 0.000 0.863 195 E HN 0.336 nan 8.360 nan 0.000 0.520 196 K N -0.306 120.125 120.400 0.052 0.000 2.387 196 K HA 0.135 4.454 4.320 -0.002 0.000 0.198 196 K C 1.012 177.570 176.600 -0.070 0.000 1.022 196 K CA 0.199 56.524 56.287 0.062 0.000 1.128 196 K CB 0.522 33.054 32.500 0.053 0.000 0.853 196 K HN -0.106 nan 8.250 nan 0.000 0.523 197 K N 0.243 120.588 120.400 -0.092 0.000 2.380 197 K HA 0.117 4.436 4.320 -0.002 0.000 0.198 197 K C -0.266 176.189 176.600 -0.241 0.000 1.070 197 K CA 0.050 56.198 56.287 -0.231 0.000 1.040 197 K CB 0.775 33.176 32.500 -0.165 0.000 0.903 197 K HN -0.018 nan 8.250 nan 0.000 0.549 198 K N 1.534 121.855 120.400 -0.132 0.000 2.382 198 K HA 0.130 4.449 4.320 -0.002 0.000 0.275 198 K C -0.550 175.850 176.600 -0.334 0.000 1.009 198 K CA -0.137 56.009 56.287 -0.235 0.000 0.970 198 K CB 0.595 32.956 32.500 -0.233 0.000 0.934 198 K HN -0.155 nan 8.250 nan 0.000 0.479 199 L N 3.950 124.886 121.223 -0.478 0.000 2.415 199 L HA 0.284 4.623 4.340 -0.002 0.000 0.268 199 L C -1.551 174.995 176.870 -0.539 0.000 0.984 199 L CA -0.509 54.096 54.840 -0.392 0.000 0.853 199 L CB 0.636 42.542 42.059 -0.254 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.112 123.278 120.300 -0.224 0.000 2.411 200 Y HA 0.343 4.892 4.550 -0.002 0.000 0.333 200 Y C 0.718 176.518 175.900 -0.167 0.000 1.186 200 Y CA 0.120 58.047 58.100 -0.288 0.000 1.381 200 Y CB 0.665 38.569 38.460 -0.926 0.000 1.273 200 Y HN 0.508 nan 8.280 nan 0.000 0.546 201 C N 4.333 123.701 119.300 0.113 0.000 2.391 201 C HA 0.700 5.159 4.460 -0.002 0.000 0.339 201 C C -0.136 174.891 174.990 0.062 0.000 1.205 201 C CA -0.960 58.108 59.018 0.084 0.000 1.937 201 C CB 0.134 27.968 27.740 0.157 0.000 2.341 201 C HN 0.595 nan 8.230 nan 0.000 0.516 202 I N 2.352 122.940 120.570 0.030 0.000 2.447 202 I HA 0.308 4.477 4.170 -0.002 0.000 0.287 202 I C -0.881 175.248 176.117 0.020 0.000 1.023 202 I CA -0.258 61.059 61.300 0.029 0.000 1.083 202 I CB 1.038 39.040 38.000 0.004 0.000 1.245 202 I HN 0.618 nan 8.210 nan 0.000 0.434 203 Y N 6.932 127.196 120.300 -0.061 0.000 2.328 203 Y HA 0.702 5.252 4.550 -0.001 0.000 0.333 203 Y C -0.997 174.873 175.900 -0.051 0.000 0.958 203 Y CA -0.853 57.205 58.100 -0.071 0.000 1.167 203 Y CB 1.246 39.678 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.885 125.535 119.914 -0.441 0.000 2.394 204 V HA 0.729 4.848 4.120 -0.002 0.000 0.282 204 V C -0.107 175.761 176.094 -0.377 0.000 1.031 204 V CA -0.637 61.515 62.300 -0.247 0.000 0.881 204 V CB 0.979 32.743 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.945 129.706 122.820 -0.100 0.000 2.267 205 A HA 0.861 5.180 4.320 -0.002 0.000 0.315 205 A C -0.606 176.980 177.584 0.004 0.000 1.297 205 A CA -0.413 51.620 52.037 -0.005 0.000 0.865 205 A CB 0.234 19.355 19.000 0.201 0.000 1.165 205 A HN 0.803 nan 8.150 nan 0.000 0.513 206 I N 2.063 122.624 120.570 -0.015 0.000 2.389 206 I HA 0.569 4.738 4.170 -0.002 0.000 0.288 206 I C 1.168 177.295 176.117 0.015 0.000 0.999 206 I CA -0.099 61.200 61.300 -0.001 0.000 1.129 206 I CB 1.759 39.748 38.000 -0.018 0.000 1.288 206 I HN 0.941 nan 8.210 nan 0.000 0.444 207 G N 3.753 112.568 108.800 0.026 0.000 2.184 207 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.264 207 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.264 207 G C 0.281 175.200 174.900 0.033 0.000 0.975 207 G CA -0.130 44.988 45.100 0.030 0.000 0.642 207 G HN 0.639 nan 8.290 nan 0.000 0.536 208 Q N 0.363 120.187 119.800 0.040 0.000 2.443 208 Q HA 0.444 4.783 4.340 -0.002 0.000 0.232 208 Q C 0.857 176.882 176.000 0.041 0.000 1.026 208 Q CA 0.248 56.080 55.803 0.048 0.000 0.924 208 Q CB 0.479 29.261 28.738 0.072 0.000 1.256 208 Q HN 0.650 nan 8.270 nan 0.000 0.519 209 K N 0.505 120.927 120.400 0.037 0.000 2.118 209 K HA 0.237 4.556 4.320 -0.002 0.000 0.264 209 K C 0.349 176.968 176.600 0.031 0.000 1.000 209 K CA -0.552 55.753 56.287 0.030 0.000 0.929 209 K CB 1.065 33.581 32.500 0.025 0.000 1.021 209 K HN 0.419 nan 8.250 nan 0.000 0.463 210 R N 0.916 121.431 120.500 0.026 0.000 2.127 210 R HA -0.126 4.213 4.340 -0.002 0.000 0.238 210 R C 1.933 178.245 176.300 0.019 0.000 1.134 210 R CA 1.825 57.940 56.100 0.024 0.000 0.975 210 R CB -0.507 29.806 30.300 0.020 0.000 0.865 210 R HN 0.774 nan 8.270 nan 0.000 0.447 211 S N 0.444 116.154 115.700 0.017 0.000 2.399 211 S HA -0.118 4.351 4.470 -0.002 0.000 0.231 211 S C 1.917 176.523 174.600 0.011 0.000 1.022 211 S CA 1.714 59.920 58.200 0.012 0.000 0.983 211 S CB -0.363 62.844 63.200 0.012 0.000 0.803 211 S HN 0.313 nan 8.310 nan 0.000 0.480 212 T N 2.445 117.011 114.554 0.019 0.000 2.777 212 T HA -0.023 4.326 4.350 -0.002 0.000 0.266 212 T C 1.995 176.701 174.700 0.010 0.000 1.040 212 T CA 1.301 63.414 62.100 0.021 0.000 1.141 212 T CB -0.451 68.439 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.842 121.768 119.914 0.020 0.000 2.307 213 V HA -0.118 4.001 4.120 -0.002 0.000 0.245 213 V C 2.936 179.017 176.094 -0.021 0.000 1.045 213 V CA 1.546 63.850 62.300 0.008 0.000 1.024 213 V CB -1.338 30.512 31.823 0.046 0.000 0.651 213 V HN 0.504 nan 8.190 nan 0.000 0.449 214 A N -0.553 122.261 122.820 -0.009 0.000 1.892 214 A HA -0.285 4.034 4.320 -0.002 0.000 0.218 214 A C 2.215 179.781 177.584 -0.030 0.000 1.188 214 A CA 1.908 53.935 52.037 -0.017 0.000 0.631 214 A CB -0.529 18.466 19.000 -0.008 0.000 0.822 214 A HN 0.546 nan 8.150 nan 0.000 0.447 215 Q N -0.875 118.910 119.800 -0.024 0.000 2.124 215 Q HA -0.127 4.212 4.340 -0.002 0.000 0.202 215 Q C 2.139 178.109 176.000 -0.050 0.000 0.977 215 Q CA 1.017 56.802 55.803 -0.031 0.000 0.850 215 Q CB -0.514 28.215 28.738 -0.014 0.000 0.901 215 Q HN 0.623 nan 8.270 nan 0.000 0.429 216 L N 1.148 122.332 121.223 -0.066 0.000 1.976 216 L HA -0.135 4.204 4.340 -0.002 0.000 0.209 216 L C 2.499 179.288 176.870 -0.135 0.000 1.071 216 L CA 1.973 56.739 54.840 -0.123 0.000 0.746 216 L CB -1.205 40.735 42.059 -0.198 0.000 0.890 216 L HN 0.187 nan 8.230 nan 0.000 0.432 217 V N -1.605 118.239 119.914 -0.116 0.000 2.469 217 V HA -0.259 3.860 4.120 -0.002 0.000 0.251 217 V C 2.663 178.705 176.094 -0.086 0.000 1.064 217 V CA 2.036 64.275 62.300 -0.102 0.000 1.066 217 V CB -0.993 30.789 31.823 -0.070 0.000 0.667 217 V HN 0.472 nan 8.190 nan 0.000 0.461 218 K N 0.618 120.974 120.400 -0.072 0.000 1.985 218 K HA -0.275 4.044 4.320 -0.002 0.000 0.210 218 K C 2.476 179.027 176.600 -0.083 0.000 1.047 218 K CA 2.136 58.382 56.287 -0.069 0.000 0.932 218 K CB -0.331 32.133 32.500 -0.061 0.000 0.716 218 K HN 0.409 nan 8.250 nan 0.000 0.439 219 R N 1.166 121.612 120.500 -0.091 0.000 2.103 219 R HA -0.088 4.251 4.340 -0.002 0.000 0.242 219 R C 2.289 178.541 176.300 -0.079 0.000 1.142 219 R CA 1.471 57.508 56.100 -0.104 0.000 0.960 219 R CB -0.690 29.565 30.300 -0.075 0.000 0.858 219 R HN 0.313 nan 8.270 nan 0.000 0.439 220 L N -0.956 120.215 121.223 -0.087 0.000 2.093 220 L HA -0.125 4.214 4.340 -0.002 0.000 0.208 220 L C 2.135 178.941 176.870 -0.107 0.000 1.085 220 L CA 1.724 56.502 54.840 -0.103 0.000 0.755 220 L CB -0.535 41.438 42.059 -0.143 0.000 0.904 220 L HN 0.261 nan 8.230 nan 0.000 0.435 221 T N -0.996 113.502 114.554 -0.094 0.000 2.708 221 T HA -0.182 4.167 4.350 -0.002 0.000 0.266 221 T C 1.402 176.062 174.700 -0.068 0.000 1.037 221 T CA 1.488 63.539 62.100 -0.080 0.000 1.146 221 T CB -0.286 68.544 68.868 -0.064 0.000 0.865 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 D N 1.443 121.802 120.400 -0.069 0.000 2.228 222 D HA -0.033 4.606 4.640 -0.002 0.000 0.203 222 D C 1.796 178.065 176.300 -0.053 0.000 0.988 222 D CA 1.011 54.972 54.000 -0.064 0.000 0.864 222 D CB -0.222 40.526 40.800 -0.086 0.000 0.928 222 D HN 0.471 nan 8.370 nan 0.000 0.469 223 A N -0.111 122.679 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.441 4.320 -0.002 0.000 0.224 223 A C 0.335 177.907 177.584 -0.021 0.000 1.227 223 A CA 0.234 52.257 52.037 -0.024 0.000 0.885 223 A CB 0.277 19.279 19.000 0.003 0.000 0.933 223 A HN 0.007 nan 8.150 nan 0.000 0.506 224 D N -2.289 118.082 120.400 -0.048 0.000 2.716 224 D HA -0.181 4.458 4.640 -0.002 0.000 0.239 224 D C 0.591 176.836 176.300 -0.092 0.000 1.125 224 D CA 1.015 54.988 54.000 -0.045 0.000 0.681 224 D CB -1.260 39.540 40.800 -0.000 0.000 1.070 224 D HN 0.526 nan 8.370 nan 0.000 0.432 225 A N -0.176 122.498 122.820 -0.244 0.000 2.419 225 A HA 0.196 4.515 4.320 -0.002 0.000 0.233 225 A C 1.983 179.106 177.584 -0.768 0.000 1.217 225 A CA 0.088 51.712 52.037 -0.688 0.000 0.944 225 A CB 0.114 18.839 19.000 -0.457 0.000 1.025 225 A HN 0.280 nan 8.150 nan 0.000 0.524 226 M N 1.227 120.611 119.600 -0.360 0.000 2.296 226 M HA -0.126 4.353 4.480 -0.002 0.000 0.265 226 M C 2.023 178.209 176.300 -0.190 0.000 1.064 226 M CA 1.667 56.823 55.300 -0.239 0.000 1.109 226 M CB -0.895 31.628 32.600 -0.129 0.000 1.396 226 M HN 0.686 nan 8.290 nan 0.000 0.430 227 K N 0.608 120.909 120.400 -0.165 0.000 2.074 227 K HA -0.197 4.122 4.320 -0.002 0.000 0.209 227 K C 1.136 177.785 176.600 0.081 0.000 1.048 227 K CA 1.925 58.208 56.287 -0.008 0.000 0.926 227 K CB -0.978 31.562 32.500 0.068 0.000 0.713 227 K HN 0.503 nan 8.250 nan 0.000 0.444 228 Y N 0.605 120.949 120.300 0.073 0.000 2.625 228 Y HA 0.465 5.014 4.550 -0.002 0.000 0.285 228 Y C -0.378 175.577 175.900 0.091 0.000 1.168 228 Y CA -0.933 57.237 58.100 0.116 0.000 1.250 228 Y CB 0.064 38.542 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.013 116.542 114.554 -0.041 0.000 2.893 229 T HA 0.627 4.976 4.350 -0.002 0.000 0.291 229 T C -0.661 174.057 174.700 0.031 0.000 1.028 229 T CA -0.528 61.564 62.100 -0.012 0.000 0.995 229 T CB 1.960 70.749 68.868 -0.131 0.000 1.051 229 T HN 0.142 nan 8.240 nan 0.000 0.470 230 I N 1.832 122.440 120.570 0.064 0.000 2.474 230 I HA 0.548 4.717 4.170 -0.002 0.000 0.294 230 I C -0.779 175.383 176.117 0.074 0.000 1.005 230 I CA -1.087 60.255 61.300 0.070 0.000 1.113 230 I CB 2.081 40.139 38.000 0.097 0.000 1.289 230 I HN 0.228 nan 8.210 nan 0.000 0.436 231 V N 6.685 126.639 119.914 0.066 0.000 2.378 231 V HA 0.332 4.451 4.120 -0.002 0.000 0.288 231 V C -0.136 176.010 176.094 0.087 0.000 1.016 231 V CA -0.679 61.681 62.300 0.100 0.000 0.840 231 V CB 1.781 33.653 31.823 0.082 0.000 0.994 231 V HN 0.389 nan 8.190 nan 0.000 0.431 232 V N 3.920 123.886 119.914 0.087 0.000 2.407 232 V HA 0.534 4.653 4.120 -0.002 0.000 0.278 232 V C 0.329 176.462 176.094 0.065 0.000 1.037 232 V CA -0.105 62.230 62.300 0.059 0.000 0.900 232 V CB 1.672 33.520 31.823 0.042 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.459 233 S N 3.884 119.619 115.700 0.059 0.000 2.659 233 S HA 0.734 5.203 4.470 -0.002 0.000 0.312 233 S C -0.259 174.367 174.600 0.044 0.000 1.114 233 S CA -0.240 57.997 58.200 0.061 0.000 1.063 233 S CB 1.054 64.295 63.200 0.069 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.432 127.273 122.820 0.034 0.000 2.511 234 A HA 0.608 4.927 4.320 -0.002 0.000 0.340 234 A C 0.531 178.132 177.584 0.028 0.000 1.396 234 A CA -0.610 51.442 52.037 0.026 0.000 0.887 234 A CB -0.156 18.853 19.000 0.015 0.000 1.145 234 A HN 0.855 nan 8.150 nan 0.000 0.497 235 T N -1.238 113.334 114.554 0.031 0.000 2.824 235 T HA 0.552 4.901 4.350 -0.002 0.000 0.277 235 T C 1.623 176.338 174.700 0.025 0.000 0.975 235 T CA 0.017 62.136 62.100 0.031 0.000 0.966 235 T CB 1.110 69.998 68.868 0.034 0.000 1.054 235 T HN 1.156 nan 8.240 nan 0.000 0.533 236 A N 1.318 124.153 122.820 0.026 0.000 1.929 236 A HA -0.188 4.131 4.320 -0.002 0.000 0.221 236 A C 2.459 180.053 177.584 0.017 0.000 1.211 236 A CA 2.893 54.944 52.037 0.022 0.000 0.657 236 A CB -1.665 17.348 19.000 0.022 0.000 0.827 236 A HN 1.375 nan 8.150 nan 0.000 0.462 237 S N -0.966 114.744 115.700 0.016 0.000 2.593 237 S HA 0.109 4.578 4.470 -0.002 0.000 0.217 237 S C -0.147 174.459 174.600 0.011 0.000 0.966 237 S CA -0.055 58.153 58.200 0.013 0.000 0.914 237 S CB -0.238 62.970 63.200 0.013 0.000 0.776 237 S HN 0.421 nan 8.310 nan 0.000 0.523 238 D N 2.805 123.212 120.400 0.011 0.000 2.256 238 D HA 0.551 5.190 4.640 -0.002 0.000 0.250 238 D C 0.394 176.689 176.300 -0.009 0.000 1.093 238 D CA 0.033 54.036 54.000 0.006 0.000 0.882 238 D CB 1.495 42.300 40.800 0.009 0.000 1.185 238 D HN 0.422 nan 8.370 nan 0.000 0.437 239 A N 1.865 124.672 122.820 -0.022 0.000 2.613 239 A HA 0.194 4.513 4.320 -0.002 0.000 0.230 239 A C 1.570 179.117 177.584 -0.061 0.000 1.051 239 A CA 0.605 52.615 52.037 -0.044 0.000 0.754 239 A CB 0.072 19.036 19.000 -0.061 0.000 0.979 239 A HN 0.684 nan 8.150 nan 0.000 0.510 240 A N 3.693 126.486 122.820 -0.045 0.000 1.896 240 A HA -0.160 4.159 4.320 -0.002 0.000 0.220 240 A C 0.220 177.797 177.584 -0.010 0.000 1.206 240 A CA 2.238 54.264 52.037 -0.018 0.000 0.647 240 A CB -1.893 17.095 19.000 -0.020 0.000 0.828 240 A HN 0.717 nan 8.150 nan 0.000 0.455 241 P HA -0.157 nan 4.420 nan 0.000 0.216 241 P C 1.456 178.654 177.300 -0.170 0.000 1.150 241 P CA 1.228 64.252 63.100 -0.127 0.000 0.843 241 P CB -0.260 31.147 31.700 -0.488 0.000 0.787 242 L N -0.725 120.327 121.223 -0.284 0.000 2.072 242 L HA -0.136 4.203 4.340 -0.002 0.000 0.205 242 L C 2.890 179.741 176.870 -0.031 0.000 1.079 242 L CA 1.435 56.186 54.840 -0.148 0.000 0.752 242 L CB -1.247 40.752 42.059 -0.099 0.000 0.906 242 L HN -0.055 nan 8.230 nan 0.000 0.436 243 Q N -0.886 118.915 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.092 4.340 -0.002 0.000 0.202 243 Q C 2.143 178.193 176.000 0.084 0.000 0.977 243 Q CA 1.830 57.656 55.803 0.038 0.000 0.850 243 Q CB -0.425 28.341 28.738 0.047 0.000 0.901 243 Q HN 0.524 nan 8.270 nan 0.000 0.429 244 Y N 1.541 121.846 120.300 0.008 0.000 2.089 244 Y HA -0.224 4.325 4.550 -0.002 0.000 0.282 244 Y C 1.837 177.802 175.900 0.109 0.000 1.139 244 Y CA 1.391 59.533 58.100 0.069 0.000 1.123 244 Y CB -0.586 37.936 38.460 0.103 0.000 0.980 244 Y HN -0.032 nan 8.280 nan 0.000 0.493 245 L N 0.219 121.253 121.223 -0.315 0.000 2.017 245 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 245 L C 2.874 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.243 55.921 54.840 -0.270 0.000 0.745 245 L CB -1.233 40.768 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.810 123.595 122.820 -0.058 0.000 1.920 246 A HA -0.276 4.043 4.320 -0.002 0.000 0.229 246 A C -0.068 177.482 177.584 -0.056 0.000 1.516 246 A CA 2.905 54.922 52.037 -0.034 0.000 0.714 246 A CB -2.373 16.616 19.000 -0.018 0.000 0.845 246 A HN 0.370 nan 8.150 nan 0.000 0.493 247 P HA -0.131 nan 4.420 nan 0.000 0.218 247 P C 0.999 178.139 177.300 -0.267 0.000 1.149 247 P CA 1.505 64.466 63.100 -0.231 0.000 0.817 247 P CB -0.272 31.032 31.700 -0.660 0.000 0.785 248 Y N 1.203 121.429 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.434 4.550 -0.002 0.000 0.292 248 Y C 2.972 178.854 175.900 -0.030 0.000 1.123 248 Y CA 1.726 59.766 58.100 -0.101 0.000 1.142 248 Y CB -1.525 36.827 38.460 -0.180 0.000 1.006 248 Y HN 0.039 nan 8.280 nan 0.000 0.518 249 S N -0.532 115.236 115.700 0.114 0.000 2.419 249 S HA -0.125 4.344 4.470 -0.002 0.000 0.233 249 S C 2.249 176.893 174.600 0.074 0.000 1.016 249 S CA 1.160 59.409 58.200 0.081 0.000 0.974 249 S CB -1.109 62.130 63.200 0.064 0.000 0.786 249 S HN 0.453 nan 8.310 nan 0.000 0.492 250 G N 0.062 108.907 108.800 0.073 0.000 2.430 250 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.216 250 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.216 250 G C 1.640 176.597 174.900 0.095 0.000 1.146 250 G CA 0.599 45.743 45.100 0.074 0.000 0.793 250 G HN 0.602 nan 8.290 nan 0.000 0.537 251 C N 0.514 119.892 119.300 0.130 0.000 2.432 251 C HA -0.032 4.427 4.460 -0.002 0.000 0.277 251 C C 3.261 178.323 174.990 0.120 0.000 1.249 251 C CA 1.719 60.822 59.018 0.142 0.000 1.725 251 C CB -0.912 26.918 27.740 0.150 0.000 2.028 251 C HN 0.371 nan 8.230 nan 0.000 0.477 252 S N 0.324 116.089 115.700 0.108 0.000 2.359 252 S HA -0.268 4.201 4.470 -0.002 0.000 0.223 252 S C 1.754 176.416 174.600 0.104 0.000 1.039 252 S CA 2.292 60.547 58.200 0.092 0.000 1.042 252 S CB -0.468 62.774 63.200 0.070 0.000 0.915 252 S HN 0.649 nan 8.310 nan 0.000 0.439 253 M N 0.609 120.268 119.600 0.097 0.000 2.108 253 M HA -0.146 4.333 4.480 -0.002 0.000 0.257 253 M C 2.239 178.684 176.300 0.243 0.000 1.071 253 M CA 1.692 57.058 55.300 0.110 0.000 1.093 253 M CB -0.641 32.022 32.600 0.104 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.957 107.988 108.800 0.243 0.000 2.572 254 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.216 254 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.216 254 G C 1.273 176.355 174.900 0.304 0.000 1.133 254 G CA 0.253 45.557 45.100 0.339 0.000 0.791 254 G HN 0.485 nan 8.290 nan 0.000 0.538 255 E N -0.457 119.860 120.200 0.195 0.000 2.107 255 E HA -0.113 4.236 4.350 -0.002 0.000 0.191 255 E C 1.921 178.585 176.600 0.106 0.000 0.982 255 E CA 0.585 57.061 56.400 0.128 0.000 0.809 255 E CB -0.227 29.523 29.700 0.084 0.000 0.756 255 E HN 0.564 nan 8.360 nan 0.000 0.459 256 Y N 0.912 121.183 120.300 -0.048 0.000 2.151 256 Y HA -0.308 4.240 4.550 -0.002 0.000 0.284 256 Y C 1.672 177.439 175.900 -0.222 0.000 1.166 256 Y CA 1.634 59.621 58.100 -0.188 0.000 1.163 256 Y CB -0.453 37.813 38.460 -0.323 0.000 0.974 256 Y HN -0.074 nan 8.280 nan 0.000 0.511 257 F N 0.344 120.344 119.950 0.085 0.000 2.084 257 F HA -0.097 4.429 4.527 -0.002 0.000 0.296 257 F C 2.840 178.574 175.800 -0.110 0.000 1.111 257 F CA 1.905 59.878 58.000 -0.046 0.000 1.224 257 F CB -0.993 38.077 39.000 0.117 0.000 0.991 257 F HN -0.094 nan 8.300 nan 0.000 0.471 258 R N 0.867 121.455 120.500 0.147 0.000 2.136 258 R HA -0.238 4.101 4.340 -0.002 0.000 0.242 258 R C 1.782 178.055 176.300 -0.044 0.000 1.131 258 R CA 2.489 58.606 56.100 0.027 0.000 0.937 258 R CB -0.755 29.568 30.300 0.039 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.435 259 D N 0.323 120.690 120.400 -0.056 0.000 2.182 259 D HA -0.118 4.521 4.640 -0.002 0.000 0.201 259 D C 0.484 176.720 176.300 -0.107 0.000 0.986 259 D CA 1.089 55.050 54.000 -0.065 0.000 0.847 259 D CB -0.378 40.381 40.800 -0.068 0.000 0.942 259 D HN 0.286 nan 8.370 nan 0.000 0.467 260 N N -0.332 118.245 118.700 -0.204 0.000 2.597 260 N HA 0.282 5.021 4.740 -0.002 0.000 0.269 260 N C 0.919 176.352 175.510 -0.129 0.000 1.204 260 N CA 0.367 53.288 53.050 -0.214 0.000 0.947 260 N CB 0.509 38.747 38.487 -0.415 0.000 1.258 260 N HN 0.106 nan 8.380 nan 0.000 0.508 261 G N -0.257 108.483 108.800 -0.100 0.000 2.186 261 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.266 261 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.266 261 G C 0.289 175.107 174.900 -0.136 0.000 0.982 261 G CA 0.562 45.604 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N -0.003 120.335 120.400 -0.103 0.000 2.139 262 K HA 0.573 4.892 4.320 -0.002 0.000 0.243 262 K C -0.087 176.413 176.600 -0.166 0.000 0.983 262 K CA -0.867 55.431 56.287 0.018 0.000 0.890 262 K CB 0.772 33.455 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.059 119.115 119.070 0.174 0.000 2.457 263 H HA 0.544 5.099 4.556 -0.002 0.000 0.335 263 H C -0.866 174.502 175.328 0.067 0.000 1.115 263 H CA -0.648 55.446 56.048 0.077 0.000 1.219 263 H CB 1.941 31.687 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.030 125.932 122.820 0.136 0.000 2.486 264 A HA 0.441 4.760 4.320 -0.002 0.000 0.300 264 A C -1.518 176.076 177.584 0.018 0.000 1.048 264 A CA -0.632 51.429 52.037 0.040 0.000 0.696 264 A CB 1.902 20.951 19.000 0.082 0.000 1.278 264 A HN 0.439 nan 8.150 nan 0.000 0.405 265 L N 2.397 123.605 121.223 -0.024 0.000 2.322 265 L HA 0.826 5.165 4.340 -0.002 0.000 0.281 265 L C -0.852 175.973 176.870 -0.076 0.000 1.014 265 L CA -0.575 54.238 54.840 -0.044 0.000 0.815 265 L CB 1.142 43.179 42.059 -0.037 0.000 1.247 265 L HN 0.681 nan 8.230 nan 0.000 0.421 266 I N 4.987 125.467 120.570 -0.151 0.000 2.533 266 I HA 0.524 4.693 4.170 -0.002 0.000 0.290 266 I C -1.459 174.394 176.117 -0.441 0.000 1.056 266 I CA -0.602 60.517 61.300 -0.302 0.000 1.057 266 I CB 1.691 39.448 38.000 -0.405 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.071 128.378 120.570 -0.438 0.000 2.362 267 I HA 0.288 4.457 4.170 -0.002 0.000 0.289 267 I C -1.166 174.589 176.117 -0.603 0.000 0.994 267 I CA -0.212 60.834 61.300 -0.423 0.000 1.158 267 I CB 1.159 39.039 38.000 -0.199 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.146 124.282 120.300 -0.273 0.000 2.434 268 Y HA 0.427 4.976 4.550 -0.001 0.000 0.341 268 Y C -0.021 175.693 175.900 -0.310 0.000 0.965 268 Y CA -0.799 57.120 58.100 -0.302 0.000 1.205 268 Y CB 0.659 38.957 38.460 -0.271 0.000 1.121 268 Y HN 0.404 nan 8.280 nan 0.000 0.507 269 D N 3.504 123.752 120.400 -0.253 0.000 2.454 269 D HA 0.254 4.893 4.640 -0.002 0.000 0.247 269 D C -1.215 175.024 176.300 -0.101 0.000 1.129 269 D CA -0.437 53.450 54.000 -0.189 0.000 0.877 269 D CB 0.697 41.326 40.800 -0.286 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.663 122.026 120.400 -0.062 0.000 2.414 270 D HA 0.322 4.962 4.640 -0.002 0.000 0.241 270 D C 1.277 177.521 176.300 -0.093 0.000 1.008 270 D CA -0.712 53.247 54.000 -0.069 0.000 1.001 270 D CB 1.962 42.735 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.291 121.422 121.223 -0.153 0.000 2.446 271 L HA -0.000 4.339 4.340 -0.002 0.000 0.219 271 L C 1.750 178.553 176.870 -0.112 0.000 1.116 271 L CA 0.427 55.112 54.840 -0.258 0.000 0.844 271 L CB -0.092 41.628 42.059 -0.565 0.000 0.970 271 L HN 0.350 nan 8.230 nan 0.000 0.457 272 S N 0.288 115.951 115.700 -0.062 0.000 2.345 272 S HA -0.148 4.321 4.470 -0.002 0.000 0.220 272 S C 1.906 176.543 174.600 0.062 0.000 1.031 272 S CA 1.225 59.432 58.200 0.010 0.000 0.996 272 S CB -0.034 63.173 63.200 0.011 0.000 0.882 272 S HN 0.370 nan 8.310 nan 0.000 0.445 273 K N 1.136 121.561 120.400 0.040 0.000 2.097 273 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 273 K C 2.421 179.072 176.600 0.086 0.000 1.049 273 K CA 0.997 57.321 56.287 0.061 0.000 0.933 273 K CB -0.179 32.343 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.905 120.749 119.800 0.073 0.000 2.119 274 Q HA -0.135 4.204 4.340 -0.002 0.000 0.201 274 Q C 2.067 178.188 176.000 0.202 0.000 0.972 274 Q CA 1.325 57.198 55.803 0.117 0.000 0.847 274 Q CB -0.060 28.712 28.738 0.057 0.000 0.903 274 Q HN 0.313 nan 8.270 nan 0.000 0.433 275 A N 0.247 123.193 122.820 0.210 0.000 1.908 275 A HA -0.155 4.164 4.320 -0.002 0.000 0.218 275 A C 2.238 180.045 177.584 0.372 0.000 1.181 275 A CA 1.657 53.837 52.037 0.239 0.000 0.627 275 A CB -0.830 18.242 19.000 0.120 0.000 0.818 275 A HN 0.297 nan 8.150 nan 0.000 0.445 276 V N -0.179 119.908 119.914 0.289 0.000 2.343 276 V HA -0.271 3.849 4.120 -0.002 0.000 0.247 276 V C 3.060 179.239 176.094 0.142 0.000 1.051 276 V CA 1.977 64.404 62.300 0.211 0.000 1.036 276 V CB -1.258 30.647 31.823 0.137 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.913 121.996 122.820 0.149 0.000 1.883 277 A HA -0.290 4.029 4.320 -0.002 0.000 0.217 277 A C 2.180 179.832 177.584 0.113 0.000 1.186 277 A CA 2.243 54.351 52.037 0.119 0.000 0.624 277 A CB -0.815 18.275 19.000 0.150 0.000 0.822 277 A HN 0.608 nan 8.150 nan 0.000 0.444 278 Y N 0.445 120.769 120.300 0.041 0.000 2.145 278 Y HA -0.207 4.342 4.550 -0.002 0.000 0.286 278 Y C 2.554 178.439 175.900 -0.024 0.000 1.145 278 Y CA 2.078 60.148 58.100 -0.050 0.000 1.148 278 Y CB -0.474 37.984 38.460 -0.003 0.000 0.981 278 Y HN 0.360 nan 8.280 nan 0.000 0.507 279 R N 0.340 120.861 120.500 0.034 0.000 2.083 279 R HA -0.286 4.053 4.340 -0.002 0.000 0.237 279 R C 2.442 178.638 176.300 -0.173 0.000 1.137 279 R CA 2.120 58.164 56.100 -0.094 0.000 0.951 279 R CB -0.544 29.678 30.300 -0.130 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.104 119.837 119.800 -0.111 0.000 2.112 280 Q HA -0.214 4.125 4.340 -0.002 0.000 0.206 280 Q C 2.036 177.954 176.000 -0.137 0.000 0.987 280 Q CA 2.295 58.036 55.803 -0.104 0.000 0.858 280 Q CB -0.043 28.661 28.738 -0.056 0.000 0.905 280 Q HN 0.480 nan 8.270 nan 0.000 0.420 281 M N -0.444 119.042 119.600 -0.190 0.000 2.193 281 M HA -0.087 4.392 4.480 -0.002 0.000 0.265 281 M C 2.319 178.470 176.300 -0.248 0.000 1.071 281 M CA 1.181 56.360 55.300 -0.202 0.000 1.140 281 M CB 0.052 32.508 32.600 -0.240 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.522 116.984 115.700 -0.397 0.000 2.351 282 S HA -0.134 4.335 4.470 -0.002 0.000 0.220 282 S C 1.921 176.408 174.600 -0.189 0.000 1.035 282 S CA 1.371 59.358 58.200 -0.355 0.000 1.031 282 S CB -0.687 62.233 63.200 -0.465 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 0.893 122.018 121.223 -0.162 0.000 2.083 283 L HA -0.054 4.285 4.340 -0.002 0.000 0.209 283 L C 2.234 179.053 176.870 -0.084 0.000 1.083 283 L CA 0.939 55.715 54.840 -0.106 0.000 0.752 283 L CB -0.537 41.460 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.707 120.463 121.223 -0.089 0.000 2.291 284 L HA -0.151 4.188 4.340 -0.002 0.000 0.214 284 L C 2.015 178.854 176.870 -0.051 0.000 1.120 284 L CA 0.725 55.528 54.840 -0.062 0.000 0.799 284 L CB -0.160 41.865 42.059 -0.056 0.000 0.925 284 L HN 0.286 nan 8.230 nan 0.000 0.446 285 L N -0.871 120.313 121.223 -0.065 0.000 2.591 285 L HA 0.077 4.416 4.340 -0.002 0.000 0.228 285 L C 0.792 177.640 176.870 -0.036 0.000 1.133 285 L CA 0.090 54.904 54.840 -0.044 0.000 0.880 285 L CB -0.084 41.943 42.059 -0.054 0.000 1.033 285 L HN 0.211 nan 8.230 nan 0.000 0.450 286 R N -0.091 120.382 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.197 4.340 -0.002 0.000 0.312 286 R C -0.006 176.275 176.300 -0.032 0.000 1.181 286 R CA 0.369 56.448 56.100 -0.035 0.000 0.836 286 R CB -1.431 28.856 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.304 121.778 120.500 -0.044 0.000 2.679 287 R HA 0.190 4.529 4.340 -0.002 0.000 0.269 287 R C -1.938 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.377 54.706 56.100 -0.028 0.000 1.160 287 R CB 0.018 30.295 30.300 -0.037 0.000 1.054 287 R HN -0.069 nan 8.270 nan 0.000 0.507 288 P HA 0.088 nan 4.420 nan 0.000 0.267 288 P C -2.445 174.862 177.300 0.012 0.000 1.205 288 P CA -1.100 62.002 63.100 0.003 0.000 0.765 288 P CB 0.162 31.869 31.700 0.012 0.000 0.828 289 P HA 0.347 nan 4.420 nan 0.000 0.294 289 P C 0.028 177.344 177.300 0.027 0.000 1.294 289 P CA -0.061 63.046 63.100 0.012 0.000 0.827 289 P CB 1.691 33.381 31.700 -0.018 0.000 0.992 290 G N 2.014 110.852 108.800 0.063 0.000 2.971 290 G HA2 0.380 4.339 3.960 -0.002 0.000 0.235 290 G HA3 0.380 4.339 3.960 -0.002 0.000 0.235 290 G C -0.577 174.337 174.900 0.023 0.000 1.351 290 G CA -1.037 44.087 45.100 0.041 0.000 1.039 290 G HN 0.551 nan 8.290 nan 0.000 0.563 291 R N 0.332 120.790 120.500 -0.070 0.000 2.500 291 R HA -0.038 4.301 4.340 -0.002 0.000 0.281 291 R C 0.223 176.571 176.300 0.080 0.000 0.953 291 R CA 1.369 57.408 56.100 -0.102 0.000 1.108 291 R CB -0.222 29.855 30.300 -0.372 0.000 0.901 291 R HN 0.788 nan 8.270 nan 0.000 0.410 292 E N 1.930 122.183 120.200 0.089 0.000 3.170 292 E HA -0.337 4.012 4.350 -0.002 0.000 0.284 292 E C 0.316 176.878 176.600 -0.064 0.000 0.967 292 E CA 0.545 57.021 56.400 0.127 0.000 0.919 292 E CB -1.346 28.608 29.700 0.422 0.000 1.469 292 E HN 0.890 nan 8.360 nan 0.000 0.444 293 A N -2.015 120.778 122.820 -0.046 0.000 2.979 293 A HA -0.294 4.025 4.320 -0.002 0.000 0.260 293 A C -0.003 177.493 177.584 -0.148 0.000 1.282 293 A CA 1.722 53.690 52.037 -0.115 0.000 0.971 293 A CB -2.054 16.842 19.000 -0.174 0.000 1.124 293 A HN 0.406 nan 8.150 nan 0.000 0.826 294 Y N 0.832 121.230 120.300 0.162 0.000 2.346 294 Y HA 0.447 4.996 4.550 -0.002 0.000 0.330 294 Y C -1.280 174.729 175.900 0.182 0.000 1.178 294 Y CA -1.311 56.910 58.100 0.202 0.000 1.331 294 Y CB 0.416 39.099 38.460 0.371 0.000 1.253 294 Y HN 0.254 nan 8.280 nan 0.000 0.529 295 P HA 0.009 nan 4.420 nan 0.000 0.272 295 P C 0.638 178.104 177.300 0.277 0.000 1.223 295 P CA 0.102 63.325 63.100 0.205 0.000 0.784 295 P CB 0.928 32.708 31.700 0.133 0.000 0.923 296 G N 1.620 110.544 108.800 0.207 0.000 2.501 296 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.220 296 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.220 296 G C 0.711 175.752 174.900 0.235 0.000 1.114 296 G CA 0.555 45.777 45.100 0.203 0.000 0.757 296 G HN 0.662 nan 8.290 nan 0.000 0.559 297 D N 0.099 120.664 120.400 0.275 0.000 2.525 297 D HA 0.103 4.742 4.640 -0.002 0.000 0.229 297 D C 1.632 178.093 176.300 0.267 0.000 1.202 297 D CA -0.428 53.764 54.000 0.320 0.000 0.828 297 D CB 0.233 41.258 40.800 0.375 0.000 1.008 297 D HN 0.094 nan 8.370 nan 0.000 0.493 298 V N -0.201 119.842 119.914 0.214 0.000 2.548 298 V HA -0.083 4.036 4.120 -0.002 0.000 0.249 298 V C 1.764 177.753 176.094 -0.175 0.000 1.055 298 V CA 1.027 63.317 62.300 -0.017 0.000 1.065 298 V CB -0.715 31.100 31.823 -0.012 0.000 0.681 298 V HN 0.228 nan 8.190 nan 0.000 0.462 299 F N 0.026 119.919 119.950 -0.095 0.000 2.146 299 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 299 F C 2.135 177.943 175.800 0.013 0.000 1.096 299 F CA 2.241 60.204 58.000 -0.061 0.000 1.275 299 F CB -0.483 38.538 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.457 120.825 120.300 0.112 0.000 2.421 300 Y HA -0.121 4.429 4.550 0.000 0.000 0.292 300 Y C 1.888 177.723 175.900 -0.108 0.000 1.136 300 Y CA 1.239 59.365 58.100 0.043 0.000 1.255 300 Y CB -0.643 37.881 38.460 0.107 0.000 0.991 300 Y HN 0.228 nan 8.280 nan 0.000 0.552 301 L N -0.623 120.413 121.223 -0.312 0.000 2.109 301 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 301 L C 2.099 178.809 176.870 -0.267 0.000 1.086 301 L CA 2.002 56.594 54.840 -0.412 0.000 0.760 301 L CB -0.571 41.132 42.059 -0.593 0.000 0.910 301 L HN 0.288 nan 8.230 nan 0.000 0.437 302 H N -1.961 116.915 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.543 4.556 -0.001 0.000 0.295 302 H C 2.365 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.791 56.614 56.048 -0.375 0.000 1.360 302 H CB 0.162 29.674 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.612 117.126 115.700 -0.309 0.000 2.368 303 S HA -0.224 4.245 4.470 -0.002 0.000 0.225 303 S C 2.047 176.594 174.600 -0.089 0.000 1.030 303 S CA 1.252 59.306 58.200 -0.243 0.000 0.999 303 S CB -0.306 62.755 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.643 121.089 120.500 -0.091 0.000 2.235 304 R HA 0.184 4.523 4.340 -0.002 0.000 0.213 304 R C 2.143 178.442 176.300 -0.002 0.000 1.059 304 R CA 0.968 57.037 56.100 -0.052 0.000 0.997 304 R CB -0.499 29.700 30.300 -0.169 0.000 0.884 304 R HN 0.472 nan 8.270 nan 0.000 0.462 305 L N 0.650 121.859 121.223 -0.025 0.000 2.121 305 L HA 0.143 4.482 4.340 -0.002 0.000 0.200 305 L C 1.893 178.698 176.870 -0.107 0.000 1.077 305 L CA 1.293 56.082 54.840 -0.085 0.000 0.766 305 L CB -0.268 41.560 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.070 121.072 121.223 -0.136 0.000 2.456 306 L HA -0.060 4.279 4.340 -0.002 0.000 0.224 306 L C 2.159 179.012 176.870 -0.027 0.000 1.148 306 L CA 0.415 55.209 54.840 -0.077 0.000 0.825 306 L CB -0.496 41.492 42.059 -0.118 0.000 0.937 306 L HN 0.389 nan 8.230 nan 0.000 0.450 307 E N 0.249 120.437 120.200 -0.021 0.000 2.250 307 E HA -0.044 4.305 4.350 -0.002 0.000 0.192 307 E C 1.956 178.560 176.600 0.007 0.000 0.986 307 E CA 0.359 56.759 56.400 -0.001 0.000 0.849 307 E CB 0.134 29.840 29.700 0.011 0.000 0.797 307 E HN 0.449 nan 8.360 nan 0.000 0.482 308 R N 0.791 121.300 120.500 0.015 0.000 2.357 308 R HA 0.060 4.399 4.340 -0.002 0.000 0.202 308 R C 0.736 177.054 176.300 0.029 0.000 1.047 308 R CA 0.388 56.503 56.100 0.024 0.000 1.034 308 R CB -0.042 30.285 30.300 0.045 0.000 0.875 308 R HN -0.084 nan 8.270 nan 0.000 0.473 309 A N 1.055 123.893 122.820 0.029 0.000 2.309 309 A HA 0.730 5.049 4.320 -0.002 0.000 0.298 309 A C -0.265 177.326 177.584 0.013 0.000 1.165 309 A CA -0.150 51.905 52.037 0.029 0.000 0.821 309 A CB 0.906 19.926 19.000 0.033 0.000 1.102 309 A HN 0.252 nan 8.150 nan 0.000 0.500 310 A N 1.779 124.605 122.820 0.011 0.000 2.567 310 A HA 0.638 4.957 4.320 -0.002 0.000 0.291 310 A C -1.066 176.523 177.584 0.009 0.000 1.048 310 A CA -0.714 51.324 52.037 0.002 0.000 0.661 310 A CB 0.741 19.730 19.000 -0.018 0.000 1.288 310 A HN 0.978 nan 8.150 nan 0.000 0.424 311 K N 1.778 122.185 120.400 0.011 0.000 2.253 311 K HA 0.591 4.910 4.320 -0.002 0.000 0.277 311 K C -0.103 176.506 176.600 0.015 0.000 1.053 311 K CA -0.308 55.996 56.287 0.029 0.000 0.892 311 K CB 0.256 32.778 32.500 0.036 0.000 1.102 311 K HN 0.612 nan 8.250 nan 0.000 0.469 312 M N 2.413 122.022 119.600 0.015 0.000 2.163 312 M HA 0.181 4.660 4.480 -0.002 0.000 0.305 312 M C 0.326 176.670 176.300 0.073 0.000 1.166 312 M CA -0.479 54.833 55.300 0.020 0.000 1.132 312 M CB 0.106 32.725 32.600 0.033 0.000 1.413 312 M HN 0.751 nan 8.290 nan 0.000 0.478 313 N N 0.149 118.931 118.700 0.136 0.000 2.492 313 N HA 0.184 4.923 4.740 -0.002 0.000 0.289 313 N C -0.032 175.564 175.510 0.144 0.000 1.133 313 N CA -0.493 52.643 53.050 0.143 0.000 0.961 313 N CB 0.609 39.196 38.487 0.167 0.000 1.186 313 N HN 0.417 nan 8.380 nan 0.000 0.493 314 D N 0.837 121.286 120.400 0.082 0.000 2.172 314 D HA -0.255 4.384 4.640 -0.002 0.000 0.196 314 D C 1.484 177.796 176.300 0.019 0.000 0.999 314 D CA 1.991 56.019 54.000 0.047 0.000 0.856 314 D CB -0.354 40.462 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.133 122.962 122.820 0.014 0.000 2.024 315 A HA -0.162 4.157 4.320 -0.002 0.000 0.220 315 A C 1.649 179.070 177.584 -0.272 0.000 1.164 315 A CA 1.080 53.049 52.037 -0.113 0.000 0.643 315 A CB -0.595 18.348 19.000 -0.095 0.000 0.806 315 A HN 0.180 nan 8.150 nan 0.000 0.451 316 F N -2.128 117.813 119.950 -0.015 0.000 2.678 316 F HA 0.403 4.929 4.527 -0.002 0.000 0.305 316 F C 1.711 177.489 175.800 -0.036 0.000 1.090 316 F CA 0.640 58.626 58.000 -0.023 0.000 1.272 316 F CB 0.951 39.940 39.000 -0.019 0.000 1.060 316 F HN 0.343 nan 8.300 nan 0.000 0.576 317 G N -0.786 108.068 108.800 0.089 0.000 2.229 317 G HA2 -0.069 3.890 3.960 -0.002 0.000 0.189 317 G HA3 -0.069 3.890 3.960 -0.002 0.000 0.189 317 G C 1.240 176.152 174.900 0.020 0.000 1.000 317 G CA -0.188 44.931 45.100 0.032 0.000 0.663 317 G HN 0.861 nan 8.290 nan 0.000 0.493 318 G N -0.211 108.620 108.800 0.050 0.000 2.186 318 G HA2 0.125 4.084 3.960 -0.002 0.000 0.266 318 G HA3 0.125 4.084 3.960 -0.002 0.000 0.266 318 G C 1.426 176.315 174.900 -0.019 0.000 0.982 318 G CA 1.299 46.427 45.100 0.047 0.000 0.670 318 G HN 2.070 nan 8.290 nan 0.000 0.533 319 G N -0.416 108.316 108.800 -0.113 0.000 2.636 319 G HA2 0.638 4.597 3.960 -0.002 0.000 0.246 319 G HA3 0.638 4.597 3.960 -0.002 0.000 0.246 319 G C 0.354 175.137 174.900 -0.194 0.000 1.216 319 G CA 1.117 46.023 45.100 -0.324 0.000 0.854 319 G HN 1.743 nan 8.290 nan 0.000 0.572 320 S N -0.976 114.603 115.700 -0.202 0.000 2.661 320 S HA 0.699 5.168 4.470 -0.002 0.000 0.285 320 S C -1.390 173.252 174.600 0.070 0.000 1.138 320 S CA -0.847 57.382 58.200 0.049 0.000 0.855 320 S CB 2.045 65.385 63.200 0.232 0.000 1.136 320 S HN 1.041 nan 8.310 nan 0.000 0.484 321 L N 1.796 123.057 121.223 0.064 0.000 2.471 321 L HA 0.576 4.915 4.340 -0.002 0.000 0.263 321 L C -0.707 176.181 176.870 0.031 0.000 0.985 321 L CA 0.216 55.090 54.840 0.056 0.000 0.868 321 L CB 1.496 43.590 42.059 0.057 0.000 1.203 321 L HN 0.929 nan 8.230 nan 0.000 0.429 322 T N 3.440 118.002 114.554 0.013 0.000 2.882 322 T HA 0.834 5.183 4.350 -0.002 0.000 0.287 322 T C -0.161 174.514 174.700 -0.041 0.000 0.992 322 T CA -0.175 61.917 62.100 -0.013 0.000 1.076 322 T CB 1.449 70.301 68.868 -0.027 0.000 0.961 322 T HN 0.743 nan 8.240 nan 0.000 0.490 323 A N 3.007 125.803 122.820 -0.040 0.000 2.356 323 A HA 0.743 5.062 4.320 -0.002 0.000 0.310 323 A C -0.804 176.736 177.584 -0.073 0.000 1.075 323 A CA -0.757 51.234 52.037 -0.076 0.000 0.746 323 A CB 0.809 19.815 19.000 0.010 0.000 1.221 323 A HN 0.836 nan 8.150 nan 0.000 0.443 324 L N 4.167 125.312 121.223 -0.130 0.000 2.337 324 L HA 0.390 4.729 4.340 -0.002 0.000 0.269 324 L C -2.473 174.341 176.870 -0.093 0.000 1.018 324 L CA -1.781 53.000 54.840 -0.098 0.000 0.876 324 L CB 1.838 43.843 42.059 -0.090 0.000 1.236 324 L HN 0.447 nan 8.230 nan 0.000 0.436 325 P HA 0.295 nan 4.420 nan 0.000 0.292 325 P C -0.723 176.536 177.300 -0.069 0.000 1.283 325 P CA -0.450 62.665 63.100 0.025 0.000 0.835 325 P CB 2.030 33.729 31.700 -0.002 0.000 1.017 326 V N 4.400 124.267 119.914 -0.078 0.000 2.483 326 V HA 0.439 4.558 4.120 -0.002 0.000 0.295 326 V C 0.233 176.264 176.094 -0.105 0.000 1.035 326 V CA -0.569 61.677 62.300 -0.090 0.000 0.896 326 V CB 1.657 33.439 31.823 -0.069 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.250 123.760 120.570 -0.100 0.000 2.465 327 I HA 0.416 4.585 4.170 -0.002 0.000 0.291 327 I C 0.009 176.099 176.117 -0.046 0.000 1.014 327 I CA -0.388 60.861 61.300 -0.086 0.000 1.093 327 I CB 2.026 39.969 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.292 125.478 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.674 4.350 -0.002 0.000 0.282 328 E C -0.303 176.311 176.600 0.023 0.000 0.987 328 E CA -0.373 56.027 56.400 0.000 0.000 0.797 328 E CB 1.037 30.741 29.700 0.007 0.000 1.086 328 E HN 0.718 nan 8.360 nan 0.000 0.397 329 T N 1.920 116.495 114.554 0.035 0.000 2.824 329 T HA 0.280 4.629 4.350 -0.002 0.000 0.277 329 T C 0.043 174.776 174.700 0.055 0.000 0.975 329 T CA -0.843 61.291 62.100 0.057 0.000 0.966 329 T CB 1.337 70.254 68.868 0.082 0.000 1.054 329 T HN 0.371 nan 8.240 nan 0.000 0.533 330 Q N 0.136 119.973 119.800 0.062 0.000 2.325 330 Q HA 0.539 4.878 4.340 -0.002 0.000 0.270 330 Q C 0.270 176.301 176.000 0.053 0.000 1.020 330 Q CA -0.214 55.622 55.803 0.056 0.000 0.785 330 Q CB 1.473 30.247 28.738 0.061 0.000 1.259 330 Q HN 1.268 nan 8.270 nan 0.000 0.452 331 A N 2.124 124.972 122.820 0.047 0.000 2.783 331 A HA -0.183 4.136 4.320 -0.002 0.000 0.292 331 A C 1.125 178.736 177.584 0.046 0.000 1.495 331 A CA 1.459 53.523 52.037 0.045 0.000 0.787 331 A CB -2.150 16.874 19.000 0.040 0.000 1.017 331 A HN 1.626 nan 8.150 nan 0.000 0.516 332 G N -1.003 107.829 108.800 0.054 0.000 2.203 332 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.263 332 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.263 332 G C 0.025 174.959 174.900 0.057 0.000 1.012 332 G CA 1.088 46.224 45.100 0.059 0.000 0.749 332 G HN 1.637 nan 8.290 nan 0.000 0.512 333 D N 0.639 121.076 120.400 0.062 0.000 2.608 333 D HA 0.319 4.958 4.640 -0.002 0.000 0.224 333 D C 2.005 178.356 176.300 0.085 0.000 1.123 333 D CA 0.269 54.308 54.000 0.064 0.000 1.030 333 D CB 0.081 40.920 40.800 0.066 0.000 1.093 333 D HN 0.544 nan 8.370 nan 0.000 0.497 334 V N 0.537 120.506 119.914 0.092 0.000 2.867 334 V HA -0.101 4.018 4.120 -0.002 0.000 0.260 334 V C 1.595 177.760 176.094 0.119 0.000 1.099 334 V CA 1.151 63.534 62.300 0.138 0.000 1.122 334 V CB -0.482 31.456 31.823 0.192 0.000 0.708 334 V HN 0.259 nan 8.190 nan 0.000 0.490 335 S N 0.438 116.193 115.700 0.092 0.000 2.575 335 S HA 0.586 5.055 4.470 -0.002 0.000 0.215 335 S C 1.215 175.883 174.600 0.113 0.000 0.966 335 S CA 0.288 58.544 58.200 0.094 0.000 0.911 335 S CB -0.151 63.090 63.200 0.067 0.000 0.780 335 S HN 0.901 nan 8.310 nan 0.000 0.514 336 A N 0.828 123.719 122.820 0.118 0.000 2.364 336 A HA 0.308 4.627 4.320 -0.002 0.000 0.258 336 A C 0.998 178.710 177.584 0.213 0.000 1.131 336 A CA -0.066 52.060 52.037 0.149 0.000 0.800 336 A CB -0.255 18.826 19.000 0.136 0.000 1.086 336 A HN 0.304 nan 8.150 nan 0.000 0.508 337 Y N 0.004 120.346 120.300 0.070 0.000 2.036 337 Y HA -0.197 4.351 4.550 -0.002 0.000 0.273 337 Y C 2.014 177.914 175.900 -0.001 0.000 1.135 337 Y CA 2.289 60.416 58.100 0.045 0.000 1.106 337 Y CB -0.799 37.707 38.460 0.077 0.000 0.976 337 Y HN 0.456 nan 8.280 nan 0.000 0.483 338 I N 0.583 121.038 120.570 -0.191 0.000 2.208 338 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 338 I C -0.756 175.314 176.117 -0.078 0.000 1.097 338 I CA 1.631 62.772 61.300 -0.266 0.000 1.363 338 I CB -1.913 35.903 38.000 -0.307 0.000 1.051 338 I HN 0.209 nan 8.210 nan 0.000 0.413 339 P HA -0.112 nan 4.420 nan 0.000 0.216 339 P C 1.724 179.060 177.300 0.060 0.000 1.150 339 P CA 1.554 64.670 63.100 0.027 0.000 0.837 339 P CB -0.215 31.526 31.700 0.068 0.000 0.786 340 T N -0.791 113.821 114.554 0.097 0.000 2.777 340 T HA -0.096 4.253 4.350 -0.002 0.000 0.266 340 T C 1.597 176.386 174.700 0.148 0.000 1.040 340 T CA 1.326 63.506 62.100 0.133 0.000 1.141 340 T CB -0.785 68.190 68.868 0.178 0.000 0.868 340 T HN 0.102 nan 8.240 nan 0.000 0.444 341 N N 1.217 120.000 118.700 0.139 0.000 2.013 341 N HA -0.081 4.658 4.740 -0.002 0.000 0.195 341 N C 2.027 177.602 175.510 0.110 0.000 1.051 341 N CA 1.052 54.239 53.050 0.229 0.000 0.851 341 N CB -1.043 37.510 38.487 0.110 0.000 1.044 341 N HN 0.197 nan 8.380 nan 0.000 0.422 342 V N 1.745 121.652 119.914 -0.013 0.000 2.469 342 V HA -0.166 3.953 4.120 -0.002 0.000 0.251 342 V C 2.257 178.329 176.094 -0.037 0.000 1.064 342 V CA 1.157 63.406 62.300 -0.086 0.000 1.066 342 V CB -0.543 31.179 31.823 -0.168 0.000 0.667 342 V HN 0.267 nan 8.190 nan 0.000 0.461 343 I N 1.093 121.671 120.570 0.012 0.000 2.252 343 I HA -0.215 3.954 4.170 -0.002 0.000 0.245 343 I C 2.686 178.839 176.117 0.061 0.000 1.102 343 I CA 1.903 63.221 61.300 0.031 0.000 1.385 343 I CB -0.456 37.597 38.000 0.090 0.000 1.064 343 I HN 0.508 nan 8.210 nan 0.000 0.414 344 S N 0.793 116.558 115.700 0.108 0.000 2.474 344 S HA -0.058 4.411 4.470 -0.002 0.000 0.235 344 S C 1.767 176.455 174.600 0.146 0.000 0.997 344 S CA 0.829 59.116 58.200 0.145 0.000 0.949 344 S CB -0.406 62.922 63.200 0.214 0.000 0.766 344 S HN 0.453 nan 8.310 nan 0.000 0.517 345 I N 1.488 122.110 120.570 0.088 0.000 3.081 345 I HA 0.058 4.227 4.170 -0.002 0.000 0.274 345 I C 1.323 177.446 176.117 0.011 0.000 1.178 345 I CA 0.575 61.901 61.300 0.042 0.000 1.460 345 I CB -0.298 37.648 38.000 -0.090 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.287 112.261 114.554 -0.010 0.000 2.874 346 T HA 0.136 4.485 4.350 -0.002 0.000 0.281 346 T C 0.572 175.270 174.700 -0.004 0.000 0.994 346 T CA -0.555 61.532 62.100 -0.021 0.000 1.015 346 T CB 1.203 70.041 68.868 -0.051 0.000 1.028 346 T HN 0.030 nan 8.240 nan 0.000 0.523 347 D N 0.402 120.797 120.400 -0.009 0.000 2.349 347 D HA 0.281 4.920 4.640 -0.002 0.000 0.224 347 D C 0.949 177.248 176.300 -0.002 0.000 1.029 347 D CA 0.516 54.516 54.000 -0.001 0.000 0.879 347 D CB 0.112 40.910 40.800 -0.004 0.000 0.906 347 D HN 0.887 nan 8.370 nan 0.000 0.528 348 G N 0.068 108.859 108.800 -0.016 0.000 2.316 348 G HA2 0.319 4.278 3.960 -0.002 0.000 0.296 348 G HA3 0.319 4.278 3.960 -0.002 0.000 0.296 348 G C -1.929 172.925 174.900 -0.076 0.000 1.399 348 G CA -0.808 44.282 45.100 -0.017 0.000 0.833 348 G HN -0.060 nan 8.290 nan 0.000 0.565 349 Q N -0.837 118.895 119.800 -0.112 0.000 2.345 349 Q HA 0.673 5.012 4.340 -0.002 0.000 0.275 349 Q C -0.688 175.133 176.000 -0.298 0.000 1.063 349 Q CA -0.464 55.145 55.803 -0.324 0.000 0.819 349 Q CB 2.792 31.108 28.738 -0.702 0.000 1.356 349 Q HN 0.581 nan 8.270 nan 0.000 0.418 350 I N 2.644 123.020 120.570 -0.324 0.000 2.330 350 I HA 0.340 4.509 4.170 -0.002 0.000 0.286 350 I C -0.896 175.081 176.117 -0.234 0.000 1.025 350 I CA -0.461 60.741 61.300 -0.165 0.000 1.197 350 I CB 0.413 38.356 38.000 -0.096 0.000 1.358 350 I HN 0.467 nan 8.210 nan 0.000 0.467 351 F N 6.832 126.784 119.950 0.004 0.000 2.421 351 F HA 0.378 4.903 4.527 -0.002 0.000 0.358 351 F C 0.257 176.062 175.800 0.009 0.000 1.115 351 F CA -0.244 57.760 58.000 0.005 0.000 1.160 351 F CB 0.628 39.632 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 4.000 125.310 121.223 0.145 0.000 2.357 352 L HA 0.489 4.828 4.340 -0.002 0.000 0.273 352 L C -0.261 176.672 176.870 0.105 0.000 1.080 352 L CA -0.524 54.377 54.840 0.100 0.000 0.803 352 L CB 1.307 43.389 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.533 120.789 120.200 0.094 0.000 2.256 353 E HA 0.223 4.572 4.350 -0.002 0.000 0.268 353 E C -0.087 176.566 176.600 0.088 0.000 0.877 353 E CA -0.442 56.008 56.400 0.084 0.000 0.757 353 E CB 2.220 31.970 29.700 0.084 0.000 1.183 353 E HN 0.587 nan 8.360 nan 0.000 0.418 354 T N 1.344 115.942 114.554 0.073 0.000 2.652 354 T HA -0.261 4.088 4.350 -0.002 0.000 0.267 354 T C 1.613 176.429 174.700 0.194 0.000 1.039 354 T CA 1.778 63.942 62.100 0.105 0.000 1.153 354 T CB -0.081 68.876 68.868 0.150 0.000 0.863 354 T HN 0.644 nan 8.240 nan 0.000 0.428 355 E N 1.018 121.319 120.200 0.169 0.000 2.065 355 E HA -0.192 4.157 4.350 -0.002 0.000 0.201 355 E C 2.186 178.876 176.600 0.150 0.000 1.016 355 E CA 1.292 57.792 56.400 0.167 0.000 0.818 355 E CB -0.365 29.401 29.700 0.111 0.000 0.749 355 E HN 0.466 nan 8.360 nan 0.000 0.453 356 L N -0.177 121.116 121.223 0.116 0.000 1.970 356 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 356 L C 2.546 179.462 176.870 0.076 0.000 1.071 356 L CA 1.593 56.487 54.840 0.090 0.000 0.751 356 L CB -0.740 41.370 42.059 0.084 0.000 0.889 356 L HN 0.232 nan 8.230 nan 0.000 0.432 357 F N 0.285 120.183 119.950 -0.087 0.000 2.032 357 F HA -0.361 4.165 4.527 -0.002 0.000 0.297 357 F C 2.467 178.124 175.800 -0.239 0.000 1.125 357 F CA 1.953 59.822 58.000 -0.218 0.000 1.202 357 F CB -0.623 38.142 39.000 -0.392 0.000 0.958 357 F HN -0.048 nan 8.300 nan 0.000 0.491 358 Y N 0.048 120.491 120.300 0.239 0.000 2.483 358 Y HA -0.132 4.417 4.550 -0.002 0.000 0.291 358 Y C 2.192 178.109 175.900 0.029 0.000 1.143 358 Y CA 1.261 59.431 58.100 0.115 0.000 1.289 358 Y CB -0.775 37.776 38.460 0.151 0.000 0.983 358 Y HN 0.102 nan 8.280 nan 0.000 0.556 359 K N -0.833 119.640 120.400 0.122 0.000 2.487 359 K HA 0.116 4.435 4.320 -0.002 0.000 0.192 359 K C 1.359 177.968 176.600 0.016 0.000 1.027 359 K CA 0.678 57.011 56.287 0.077 0.000 1.054 359 K CB -0.085 32.458 32.500 0.073 0.000 0.824 359 K HN 0.446 nan 8.250 nan 0.000 0.510 360 G N 0.870 109.634 108.800 -0.059 0.000 2.201 360 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.212 360 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.212 360 G C 0.039 174.869 174.900 -0.117 0.000 0.994 360 G CA -0.487 44.555 45.100 -0.097 0.000 0.644 360 G HN 0.123 nan 8.290 nan 0.000 0.508 361 I N 2.076 122.592 120.570 -0.090 0.000 2.329 361 I HA 0.390 4.559 4.170 -0.002 0.000 0.295 361 I C 0.606 176.658 176.117 -0.109 0.000 1.109 361 I CA 0.272 61.536 61.300 -0.060 0.000 1.297 361 I CB 0.024 38.024 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.636 128.060 120.500 -0.127 0.000 2.502 362 R HA 0.407 4.746 4.340 -0.002 0.000 0.300 362 R C -2.578 173.692 176.300 -0.050 0.000 0.984 362 R CA -1.642 54.382 56.100 -0.128 0.000 0.882 362 R CB 2.555 32.676 30.300 -0.299 0.000 1.180 362 R HN 0.306 nan 8.270 nan 0.000 0.444 363 P HA 0.011 nan 4.420 nan 0.000 0.271 363 P C -0.005 177.331 177.300 0.060 0.000 1.216 363 P CA -0.067 63.057 63.100 0.040 0.000 0.776 363 P CB 1.011 32.727 31.700 0.027 0.000 0.881 364 A N 4.321 127.219 122.820 0.130 0.000 2.176 364 A HA 0.025 4.344 4.320 -0.002 0.000 0.214 364 A C 1.045 178.685 177.584 0.095 0.000 1.327 364 A CA -0.113 52.003 52.037 0.131 0.000 1.015 364 A CB -1.465 17.665 19.000 0.216 0.000 0.818 364 A HN 0.516 nan 8.150 nan 0.000 0.500 365 I N 1.229 121.842 120.570 0.073 0.000 2.662 365 I HA -0.066 4.103 4.170 -0.002 0.000 0.285 365 I C 0.621 176.789 176.117 0.085 0.000 1.161 365 I CA -0.082 61.264 61.300 0.076 0.000 1.415 365 I CB 0.185 38.218 38.000 0.055 0.000 1.385 365 I HN 0.295 nan 8.210 nan 0.000 0.552 366 N N 7.042 125.811 118.700 0.115 0.000 2.448 366 N HA 0.045 4.784 4.740 -0.002 0.000 0.250 366 N C 0.701 176.268 175.510 0.095 0.000 1.136 366 N CA 0.066 53.173 53.050 0.094 0.000 0.953 366 N CB 1.363 39.904 38.487 0.090 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.874 123.829 119.914 0.069 0.000 2.407 367 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 367 V C 2.219 178.346 176.094 0.055 0.000 1.055 367 V CA 2.318 64.656 62.300 0.063 0.000 1.049 367 V CB -0.681 31.174 31.823 0.053 0.000 0.662 367 V HN 0.786 nan 8.190 nan 0.000 0.455 368 G N -0.633 108.187 108.800 0.033 0.000 2.418 368 G HA2 -0.196 3.763 3.960 -0.002 0.000 0.217 368 G HA3 -0.196 3.763 3.960 -0.002 0.000 0.217 368 G C 1.444 176.352 174.900 0.012 0.000 1.158 368 G CA 0.796 45.903 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.908 122.136 121.223 0.008 0.000 2.567 369 L HA 0.225 4.564 4.340 -0.002 0.000 0.225 369 L C 1.105 178.114 176.870 0.232 0.000 1.119 369 L CA -0.296 54.531 54.840 -0.022 0.000 0.871 369 L CB 0.221 42.096 42.059 -0.308 0.000 1.036 369 L HN 0.001 nan 8.230 nan 0.000 0.459 370 S N -0.339 115.521 115.700 0.267 0.000 2.603 370 S HA 0.521 4.990 4.470 -0.002 0.000 0.268 370 S C -0.128 174.572 174.600 0.167 0.000 1.317 370 S CA -0.455 57.918 58.200 0.288 0.000 1.012 370 S CB 1.651 64.951 63.200 0.166 0.000 0.926 370 S HN -0.010 nan 8.310 nan 0.000 0.539 371 V N 0.281 120.263 119.914 0.114 0.000 3.147 371 V HA 0.749 4.868 4.120 -0.002 0.000 0.306 371 V C -0.609 175.504 176.094 0.033 0.000 1.209 371 V CA -0.884 61.461 62.300 0.074 0.000 1.023 371 V CB 2.020 33.896 31.823 0.088 0.000 1.059 371 V HN 0.705 nan 8.190 nan 0.000 0.435 372 S N 0.149 115.864 115.700 0.025 0.000 2.620 372 S HA 0.420 4.889 4.470 -0.002 0.000 0.244 372 S C 0.707 175.315 174.600 0.012 0.000 1.192 372 S CA -0.632 57.574 58.200 0.010 0.000 1.148 372 S CB 0.947 64.149 63.200 0.002 0.000 1.106 372 S HN 0.740 nan 8.310 nan 0.000 0.474 373 R N 2.041 122.549 120.500 0.013 0.000 2.091 373 R HA -0.090 4.249 4.340 -0.002 0.000 0.238 373 R C 1.833 178.138 176.300 0.009 0.000 1.136 373 R CA 1.860 57.969 56.100 0.014 0.000 0.959 373 R CB -0.518 29.792 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.411 120.327 119.914 0.003 0.000 2.392 374 V HA -0.185 3.934 4.120 -0.002 0.000 0.249 374 V C 1.716 177.810 176.094 -0.001 0.000 1.059 374 V CA 1.648 63.947 62.300 -0.000 0.000 1.051 374 V CB -1.254 30.565 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.042 108.843 108.800 0.000 0.000 2.581 375 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.291 375 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.291 375 G C 0.954 175.852 174.900 -0.003 0.000 1.277 375 G CA 0.477 45.577 45.100 0.001 0.000 0.959 375 G HN 0.386 nan 8.290 nan 0.000 0.554 376 S N 0.642 116.341 115.700 -0.001 0.000 2.440 376 S HA 0.016 4.485 4.470 -0.002 0.000 0.238 376 S C 2.688 177.284 174.600 -0.007 0.000 1.010 376 S CA 1.841 60.039 58.200 -0.003 0.000 0.972 376 S CB -0.572 62.628 63.200 -0.000 0.000 0.774 376 S HN 1.683 nan 8.310 nan 0.000 0.501 377 A N 0.486 123.303 122.820 -0.006 0.000 2.245 377 A HA 0.122 4.441 4.320 -0.002 0.000 0.217 377 A C 1.813 179.388 177.584 -0.016 0.000 1.171 377 A CA 1.526 53.559 52.037 -0.008 0.000 0.688 377 A CB -0.442 18.555 19.000 -0.005 0.000 0.781 377 A HN 0.538 nan 8.150 nan 0.000 0.479 378 A N -1.881 120.928 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.665 4.320 -0.002 0.000 0.250 378 A C 0.728 178.294 177.584 -0.032 0.000 1.208 378 A CA -0.265 51.754 52.037 -0.030 0.000 0.960 378 A CB 0.199 19.180 19.000 -0.032 0.000 1.099 378 A HN 0.530 nan 8.150 nan 0.000 0.542 379 Q N 0.760 120.547 119.800 -0.020 0.000 2.260 379 Q HA 0.433 4.772 4.340 -0.002 0.000 0.238 379 Q C -0.331 175.659 176.000 -0.017 0.000 0.948 379 Q CA -0.271 55.522 55.803 -0.016 0.000 0.895 379 Q CB 1.052 29.786 28.738 -0.007 0.000 1.218 379 Q HN 0.436 nan 8.270 nan 0.000 0.470 380 T N -0.593 113.952 114.554 -0.014 0.000 2.874 380 T HA 0.192 4.541 4.350 -0.002 0.000 0.281 380 T C 0.846 175.543 174.700 -0.004 0.000 0.994 380 T CA -0.759 61.334 62.100 -0.013 0.000 1.015 380 T CB 1.191 70.053 68.868 -0.010 0.000 1.028 380 T HN 0.612 nan 8.240 nan 0.000 0.523 381 R N 0.320 120.818 120.500 -0.002 0.000 2.148 381 R HA -0.024 4.315 4.340 -0.002 0.000 0.227 381 R C 2.369 178.674 176.300 0.010 0.000 1.103 381 R CA 1.128 57.230 56.100 0.003 0.000 0.983 381 R CB -0.700 29.602 30.300 0.003 0.000 0.874 381 R HN 0.794 nan 8.270 nan 0.000 0.451 382 A N 0.950 123.775 122.820 0.008 0.000 1.858 382 A HA -0.233 4.086 4.320 -0.002 0.000 0.216 382 A C 2.065 179.663 177.584 0.023 0.000 1.190 382 A CA 1.639 53.684 52.037 0.014 0.000 0.617 382 A CB -0.541 18.464 19.000 0.008 0.000 0.827 382 A HN 0.414 nan 8.150 nan 0.000 0.443 383 M N 0.145 119.756 119.600 0.018 0.000 2.067 383 M HA -0.118 4.361 4.480 -0.002 0.000 0.260 383 M C 1.864 178.178 176.300 0.022 0.000 1.069 383 M CA 2.008 57.321 55.300 0.022 0.000 1.117 383 M CB -0.553 32.056 32.600 0.014 0.000 1.334 383 M HN 0.372 nan 8.290 nan 0.000 0.407 384 K N -0.513 119.896 120.400 0.015 0.000 2.089 384 K HA -0.285 4.034 4.320 -0.002 0.000 0.210 384 K C 2.161 178.773 176.600 0.020 0.000 1.048 384 K CA 2.083 58.379 56.287 0.014 0.000 0.926 384 K CB -0.482 32.023 32.500 0.009 0.000 0.714 384 K HN 0.574 nan 8.250 nan 0.000 0.448 385 Q N 0.575 120.392 119.800 0.027 0.000 2.248 385 Q HA -0.188 4.151 4.340 -0.002 0.000 0.208 385 Q C 1.711 177.739 176.000 0.048 0.000 0.984 385 Q CA 1.804 57.630 55.803 0.038 0.000 0.875 385 Q CB 0.192 28.958 28.738 0.046 0.000 0.910 385 Q HN 0.341 nan 8.270 nan 0.000 0.433 386 V N -4.483 115.460 119.914 0.047 0.000 2.996 386 V HA 0.291 4.410 4.120 -0.002 0.000 0.235 386 V C 2.077 178.185 176.094 0.024 0.000 1.205 386 V CA 0.519 62.847 62.300 0.048 0.000 1.225 386 V CB -1.103 30.768 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.007 124.841 122.820 0.023 0.000 1.915 387 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 387 A C 2.340 179.929 177.584 0.008 0.000 1.198 387 A CA 2.955 55.000 52.037 0.014 0.000 0.647 387 A CB -1.610 17.399 19.000 0.014 0.000 0.825 387 A HN 0.777 nan 8.150 nan 0.000 0.456 388 G N -1.015 107.789 108.800 0.007 0.000 2.446 388 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.217 388 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.217 388 G C 1.703 176.601 174.900 -0.004 0.000 1.168 388 G CA 2.199 47.301 45.100 0.003 0.000 0.771 388 G HN 0.759 nan 8.290 nan 0.000 0.551 389 T N -1.677 112.871 114.554 -0.009 0.000 3.014 389 T HA 0.125 4.474 4.350 -0.002 0.000 0.263 389 T C 2.289 176.975 174.700 -0.024 0.000 1.078 389 T CA 1.013 63.100 62.100 -0.021 0.000 1.135 389 T CB -0.083 68.765 68.868 -0.034 0.000 0.895 389 T HN 0.194 nan 8.240 nan 0.000 0.480 390 M N 1.232 120.820 119.600 -0.021 0.000 2.067 390 M HA -0.074 4.405 4.480 -0.002 0.000 0.260 390 M C 2.548 178.843 176.300 -0.010 0.000 1.069 390 M CA 1.770 57.057 55.300 -0.022 0.000 1.117 390 M CB -0.284 32.307 32.600 -0.015 0.000 1.334 390 M HN 0.201 nan 8.290 nan 0.000 0.407 391 K N 0.161 120.560 120.400 -0.001 0.000 2.089 391 K HA -0.256 4.063 4.320 -0.002 0.000 0.210 391 K C 1.866 178.470 176.600 0.006 0.000 1.048 391 K CA 1.806 58.097 56.287 0.007 0.000 0.926 391 K CB -0.331 32.174 32.500 0.008 0.000 0.714 391 K HN 0.318 nan 8.250 nan 0.000 0.448 392 L N 1.727 122.950 121.223 -0.001 0.000 2.072 392 L HA -0.123 4.216 4.340 -0.002 0.000 0.205 392 L C 1.976 178.846 176.870 -0.000 0.000 1.079 392 L CA 1.670 56.509 54.840 -0.002 0.000 0.752 392 L CB -0.222 41.832 42.059 -0.007 0.000 0.906 392 L HN 0.244 nan 8.230 nan 0.000 0.436 393 E N -0.765 119.430 120.200 -0.009 0.000 2.152 393 E HA -0.194 4.155 4.350 -0.002 0.000 0.192 393 E C 2.305 178.921 176.600 0.027 0.000 0.983 393 E CA 1.012 57.407 56.400 -0.008 0.000 0.818 393 E CB -0.318 29.357 29.700 -0.042 0.000 0.758 393 E HN 0.489 nan 8.360 nan 0.000 0.467 394 L N 1.148 122.388 121.223 0.028 0.000 1.994 394 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 394 L C 2.761 179.689 176.870 0.096 0.000 1.071 394 L CA 1.150 56.040 54.840 0.083 0.000 0.745 394 L CB -0.606 41.488 42.059 0.059 0.000 0.892 394 L HN 0.141 nan 8.230 nan 0.000 0.431 395 A N -0.521 122.326 122.820 0.044 0.000 1.948 395 A HA -0.302 4.017 4.320 -0.002 0.000 0.220 395 A C 2.173 179.764 177.584 0.012 0.000 1.177 395 A CA 1.932 53.980 52.037 0.019 0.000 0.636 395 A CB -0.554 18.450 19.000 0.007 0.000 0.815 395 A HN 0.541 nan 8.150 nan 0.000 0.449 396 Q N -2.285 117.531 119.800 0.027 0.000 2.079 396 Q HA -0.182 4.157 4.340 -0.002 0.000 0.200 396 Q C 2.072 178.099 176.000 0.046 0.000 0.974 396 Q CA 1.647 57.462 55.803 0.020 0.000 0.840 396 Q CB -0.351 28.399 28.738 0.019 0.000 0.898 396 Q HN 0.851 nan 8.270 nan 0.000 0.430 397 Y N 1.617 121.881 120.300 -0.060 0.000 2.114 397 Y HA -0.201 4.348 4.550 -0.002 0.000 0.284 397 Y C 2.095 177.941 175.900 -0.090 0.000 1.143 397 Y CA 1.560 59.620 58.100 -0.067 0.000 1.135 397 Y CB -0.233 38.197 38.460 -0.050 0.000 0.980 397 Y HN -0.116 nan 8.280 nan 0.000 0.499 398 R N 0.331 120.757 120.500 -0.124 0.000 2.154 398 R HA -0.217 4.122 4.340 -0.002 0.000 0.248 398 R C 2.275 178.418 176.300 -0.262 0.000 1.155 398 R CA 1.882 57.829 56.100 -0.255 0.000 0.979 398 R CB -0.266 29.966 30.300 -0.114 0.000 0.869 398 R HN 0.548 nan 8.270 nan 0.000 0.452 399 E N -0.445 119.638 120.200 -0.195 0.000 2.072 399 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 399 E C 1.783 178.139 176.600 -0.407 0.000 0.985 399 E CA 1.396 57.659 56.400 -0.228 0.000 0.801 399 E CB 0.210 29.822 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.634 120.296 119.914 -0.420 0.000 2.992 400 V HA -0.015 4.104 4.120 -0.002 0.000 0.250 400 V C 2.144 177.911 176.094 -0.545 0.000 1.090 400 V CA 0.869 62.792 62.300 -0.629 0.000 1.101 400 V CB -0.056 31.608 31.823 -0.266 0.000 0.743 400 V HN 0.227 nan 8.190 nan 0.000 0.468 401 A N 1.297 123.808 122.820 -0.514 0.000 1.916 401 A HA -0.409 3.910 4.320 -0.002 0.000 0.224 401 A C 2.435 179.890 177.584 -0.214 0.000 1.366 401 A CA 3.116 54.840 52.037 -0.521 0.000 0.692 401 A CB -1.233 17.286 19.000 -0.801 0.000 0.841 401 A HN 0.722 nan 8.150 nan 0.000 0.480 402 A N -1.730 120.965 122.820 -0.208 0.000 1.997 402 A HA -0.087 4.232 4.320 -0.002 0.000 0.221 402 A C 1.925 179.648 177.584 0.232 0.000 1.172 402 A CA 1.977 54.011 52.037 -0.005 0.000 0.645 402 A CB -0.759 18.231 19.000 -0.016 0.000 0.813 402 A HN 0.541 nan 8.150 nan 0.000 0.454 403 F N -0.050 119.911 119.950 0.018 0.000 2.146 403 F HA -0.049 4.477 4.527 -0.002 0.000 0.298 403 F C 2.772 178.636 175.800 0.106 0.000 1.096 403 F CA -0.005 58.032 58.000 0.062 0.000 1.275 403 F CB -1.533 37.490 39.000 0.039 0.000 1.008 403 F HN 0.326 nan 8.300 nan 0.000 0.480 404 A N 0.558 123.548 122.820 0.282 0.000 1.883 404 A HA -0.376 3.943 4.320 -0.002 0.000 0.226 404 A C 2.011 179.690 177.584 0.159 0.000 1.512 404 A CA 2.652 54.803 52.037 0.191 0.000 0.738 404 A CB -1.465 17.627 19.000 0.152 0.000 0.848 404 A HN 0.497 nan 8.150 nan 0.000 0.477 405 Q N -2.196 117.698 119.800 0.157 0.000 2.585 405 Q HA -0.064 4.275 4.340 -0.002 0.000 0.219 405 Q C 0.187 176.133 176.000 -0.089 0.000 0.984 405 Q CA 1.064 56.902 55.803 0.059 0.000 0.915 405 Q CB -0.204 28.595 28.738 0.102 0.000 0.967 405 Q HN 0.757 nan 8.270 nan 0.000 0.530 406 F N -2.814 117.164 119.950 0.047 0.000 3.022 406 F HA 0.243 4.769 4.527 -0.002 0.000 0.351 406 F C 1.148 176.947 175.800 -0.002 0.000 1.170 406 F CA -0.541 57.468 58.000 0.016 0.000 1.066 406 F CB 0.826 39.828 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.341 109.230 108.800 0.149 0.000 2.991 407 G HA2 0.053 4.012 3.960 -0.002 0.000 0.262 407 G HA3 0.053 4.012 3.960 -0.002 0.000 0.262 407 G C 0.899 175.828 174.900 0.048 0.000 0.765 407 G CA 0.399 45.554 45.100 0.092 0.000 2.051 407 G HN 0.228 nan 8.290 nan 0.000 0.602 408 S N -0.145 115.579 115.700 0.041 0.000 2.528 408 S HA -0.055 4.414 4.470 -0.002 0.000 0.244 408 S C 0.744 175.351 174.600 0.011 0.000 0.982 408 S CA 1.077 59.289 58.200 0.020 0.000 0.953 408 S CB 0.103 63.319 63.200 0.027 0.000 0.754 408 S HN 0.636 nan 8.310 nan 0.000 0.529 409 D N -0.182 120.224 120.400 0.011 0.000 4.135 409 D HA 0.147 4.786 4.640 -0.002 0.000 0.227 409 D C -1.005 175.299 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.171 40.628 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.809 122.045 121.223 0.022 0.000 2.375 410 L HA 0.484 4.823 4.340 -0.002 0.000 0.271 410 L C 0.768 177.658 176.870 0.033 0.000 1.107 410 L CA -1.071 53.789 54.840 0.034 0.000 0.806 410 L CB 0.489 42.594 42.059 0.076 0.000 1.146 410 L HN 0.217 nan 8.230 nan 0.000 0.447 411 D N 1.081 121.501 120.400 0.033 0.000 2.390 411 D HA 0.113 4.752 4.640 -0.002 0.000 0.236 411 D C 0.840 177.158 176.300 0.031 0.000 1.189 411 D CA -0.011 54.006 54.000 0.027 0.000 0.887 411 D CB 0.971 41.788 40.800 0.027 0.000 1.198 411 D HN 0.610 nan 8.370 nan 0.000 0.444 412 A N 1.165 123.997 122.820 0.020 0.000 2.239 412 A HA 0.211 4.530 4.320 -0.002 0.000 0.209 412 A C 2.024 179.618 177.584 0.017 0.000 1.171 412 A CA 1.059 53.106 52.037 0.016 0.000 0.768 412 A CB -0.944 18.061 19.000 0.007 0.000 0.790 412 A HN 0.671 nan 8.150 nan 0.000 0.478 413 A N 0.138 122.972 122.820 0.022 0.000 1.832 413 A HA -0.081 4.238 4.320 -0.002 0.000 0.214 413 A C 2.484 180.086 177.584 0.030 0.000 1.200 413 A CA 2.328 54.377 52.037 0.020 0.000 0.610 413 A CB -1.344 17.669 19.000 0.022 0.000 0.842 413 A HN 0.744 nan 8.150 nan 0.000 0.444 414 T N -2.294 112.292 114.554 0.052 0.000 2.904 414 T HA -0.181 4.168 4.350 -0.002 0.000 0.267 414 T C 1.919 176.665 174.700 0.077 0.000 1.059 414 T CA 1.534 63.679 62.100 0.075 0.000 1.137 414 T CB -0.425 68.516 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.263 120.102 119.800 0.065 0.000 2.291 415 Q HA -0.220 4.119 4.340 -0.002 0.000 0.206 415 Q C 2.403 178.422 176.000 0.032 0.000 0.976 415 Q CA 1.571 57.408 55.803 0.057 0.000 0.875 415 Q CB -0.154 28.609 28.738 0.042 0.000 0.927 415 Q HN 0.647 nan 8.270 nan 0.000 0.450 416 Q N 0.812 120.623 119.800 0.019 0.000 2.020 416 Q HA -0.141 4.198 4.340 -0.002 0.000 0.198 416 Q C 2.120 178.114 176.000 -0.011 0.000 0.974 416 Q CA 1.978 57.777 55.803 -0.007 0.000 0.829 416 Q CB -0.527 28.202 28.738 -0.016 0.000 0.894 416 Q HN 0.569 nan 8.270 nan 0.000 0.433 417 L N -0.991 120.241 121.223 0.014 0.000 2.187 417 L HA -0.097 4.242 4.340 -0.002 0.000 0.213 417 L C 2.303 179.204 176.870 0.052 0.000 1.100 417 L CA 1.036 55.891 54.840 0.025 0.000 0.765 417 L CB -0.904 41.185 42.059 0.051 0.000 0.904 417 L HN 0.134 nan 8.230 nan 0.000 0.437 418 L N -0.093 121.186 121.223 0.093 0.000 2.056 418 L HA -0.135 4.204 4.340 -0.002 0.000 0.207 418 L C 2.824 179.662 176.870 -0.054 0.000 1.078 418 L CA 1.137 56.062 54.840 0.142 0.000 0.749 418 L CB -0.575 41.584 42.059 0.167 0.000 0.901 418 L HN 0.220 nan 8.230 nan 0.000 0.433 419 S N -0.654 115.013 115.700 -0.055 0.000 2.348 419 S HA -0.145 4.324 4.470 -0.002 0.000 0.221 419 S C 2.132 176.627 174.600 -0.175 0.000 1.033 419 S CA 0.933 59.072 58.200 -0.101 0.000 1.010 419 S CB -0.195 62.963 63.200 -0.071 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 1.215 121.617 120.500 -0.163 0.000 2.103 420 R HA -0.055 4.284 4.340 -0.002 0.000 0.242 420 R C 2.395 178.508 176.300 -0.312 0.000 1.142 420 R CA 1.556 57.540 56.100 -0.193 0.000 0.960 420 R CB -1.592 28.620 30.300 -0.145 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.196 108.703 108.800 -0.487 0.000 2.553 421 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.218 421 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.218 421 G C 1.473 175.738 174.900 -1.059 0.000 1.195 421 G CA 1.969 46.365 45.100 -1.173 0.000 0.779 421 G HN 0.357 nan 8.290 nan 0.000 0.577 422 V N -1.116 118.366 119.914 -0.719 0.000 2.515 422 V HA 0.039 4.158 4.120 -0.002 0.000 0.250 422 V C 2.680 178.646 176.094 -0.214 0.000 1.058 422 V CA 2.140 64.238 62.300 -0.337 0.000 1.064 422 V CB -0.559 31.175 31.823 -0.149 0.000 0.675 422 V HN 0.194 nan 8.190 nan 0.000 0.461 423 R N 0.393 120.763 120.500 -0.216 0.000 2.057 423 R HA 0.243 4.582 4.340 -0.002 0.000 0.229 423 R C 2.332 178.539 176.300 -0.154 0.000 1.136 423 R CA 1.759 57.759 56.100 -0.166 0.000 0.952 423 R CB -0.902 29.293 30.300 -0.175 0.000 0.848 423 R HN 0.490 nan 8.270 nan 0.000 0.430 424 L N -0.023 121.092 121.223 -0.179 0.000 2.043 424 L HA -0.255 4.084 4.340 -0.002 0.000 0.212 424 L C 2.073 178.885 176.870 -0.095 0.000 1.075 424 L CA 1.724 56.486 54.840 -0.131 0.000 0.752 424 L CB -0.776 41.205 42.059 -0.131 0.000 0.891 424 L HN 0.315 nan 8.230 nan 0.000 0.432 425 T N -1.084 113.401 114.554 -0.115 0.000 2.788 425 T HA -0.161 4.188 4.350 -0.002 0.000 0.268 425 T C 1.740 176.420 174.700 -0.033 0.000 1.044 425 T CA 1.112 63.183 62.100 -0.048 0.000 1.139 425 T CB -0.129 68.723 68.868 -0.027 0.000 0.867 425 T HN 0.306 nan 8.240 nan 0.000 0.454 426 E N 0.874 121.043 120.200 -0.051 0.000 2.268 426 E HA 0.053 4.402 4.350 -0.002 0.000 0.195 426 E C 2.121 178.708 176.600 -0.022 0.000 0.995 426 E CA 0.474 56.855 56.400 -0.031 0.000 0.836 426 E CB -0.190 29.487 29.700 -0.038 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.052 121.255 121.223 -0.032 0.000 2.313 427 L HA -0.034 4.305 4.340 -0.002 0.000 0.214 427 L C 2.165 179.034 176.870 -0.000 0.000 1.119 427 L CA 0.350 55.182 54.840 -0.014 0.000 0.809 427 L CB -0.154 41.889 42.059 -0.026 0.000 0.933 427 L HN 0.076 nan 8.230 nan 0.000 0.449 428 L N -0.687 120.533 121.223 -0.005 0.000 2.478 428 L HA -0.023 4.316 4.340 -0.002 0.000 0.223 428 L C 1.114 177.986 176.870 0.003 0.000 1.140 428 L CA 0.329 55.171 54.840 0.003 0.000 0.842 428 L CB -0.329 41.734 42.059 0.007 0.000 0.953 428 L HN 0.104 nan 8.230 nan 0.000 0.452 429 K N 0.816 121.215 120.400 -0.002 0.000 2.336 429 K HA 0.208 4.527 4.320 -0.002 0.000 0.262 429 K C -0.124 176.473 176.600 -0.005 0.000 0.992 429 K CA 0.416 56.698 56.287 -0.008 0.000 0.927 429 K CB 0.456 32.949 32.500 -0.011 0.000 0.956 429 K HN 0.036 nan 8.250 nan 0.000 0.495 430 Q N -0.525 119.266 119.800 -0.015 0.000 2.503 430 Q HA 0.210 4.549 4.340 -0.002 0.000 0.268 430 Q C -0.927 175.061 176.000 -0.021 0.000 0.982 430 Q CA -0.539 55.258 55.803 -0.010 0.000 0.907 430 Q CB 1.965 30.697 28.738 -0.010 0.000 1.467 430 Q HN 0.849 nan 8.270 nan 0.000 0.394 431 G N 1.062 109.858 108.800 -0.007 0.000 2.562 431 G HA2 0.340 4.299 3.960 -0.002 0.000 0.275 431 G HA3 0.340 4.299 3.960 -0.002 0.000 0.275 431 G C -0.533 174.345 174.900 -0.035 0.000 1.196 431 G CA -0.065 45.034 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.541 118.218 119.800 -0.069 0.000 2.256 432 Q HA 0.349 4.688 4.340 -0.002 0.000 0.232 432 Q C -0.337 175.545 176.000 -0.198 0.000 0.965 432 Q CA -0.482 55.140 55.803 -0.301 0.000 0.908 432 Q CB 0.515 28.931 28.738 -0.536 0.000 1.209 432 Q HN 0.565 nan 8.270 nan 0.000 0.489 433 Y N -1.393 118.913 120.300 0.009 0.000 4.538 433 Y HA -0.290 4.259 4.550 -0.002 0.000 0.225 433 Y C -0.177 175.724 175.900 0.001 0.000 1.074 433 Y CA 0.907 59.008 58.100 0.002 0.000 1.942 433 Y CB -2.449 36.010 38.460 -0.002 0.000 1.618 433 Y HN 0.403 nan 8.280 nan 0.000 0.642 434 S N -1.503 114.240 115.700 0.071 0.000 2.317 434 S HA 0.536 5.005 4.470 -0.002 0.000 0.144 434 S C -2.642 171.968 174.600 0.017 0.000 1.660 434 S CA -1.207 57.023 58.200 0.051 0.000 1.273 434 S CB 1.723 64.955 63.200 0.054 0.000 1.330 434 S HN 0.025 nan 8.310 nan 0.000 0.395 435 P HA 0.309 nan 4.420 nan 0.000 0.276 435 P C -0.055 177.244 177.300 -0.002 0.000 1.230 435 P CA -0.286 62.817 63.100 0.005 0.000 0.776 435 P CB 0.607 32.315 31.700 0.014 0.000 0.888 436 M N 1.022 120.622 119.600 -0.000 0.000 2.528 436 M HA 0.712 5.191 4.480 -0.002 0.000 0.318 436 M C 0.007 176.302 176.300 -0.008 0.000 1.195 436 M CA -1.245 54.050 55.300 -0.009 0.000 1.000 436 M CB 1.425 34.023 32.600 -0.003 0.000 1.615 436 M HN 0.190 nan 8.290 nan 0.000 0.469 437 A N 1.611 124.414 122.820 -0.029 0.000 2.450 437 A HA 0.284 4.603 4.320 -0.002 0.000 0.255 437 A C 0.932 178.518 177.584 0.003 0.000 1.096 437 A CA -0.545 51.474 52.037 -0.029 0.000 0.778 437 A CB -0.065 18.896 19.000 -0.065 0.000 1.031 437 A HN 0.937 nan 8.150 nan 0.000 0.494 438 I N 1.909 122.499 120.570 0.034 0.000 2.290 438 I HA -0.297 3.872 4.170 -0.002 0.000 0.253 438 I C 1.890 178.016 176.117 0.016 0.000 1.112 438 I CA 2.221 63.540 61.300 0.033 0.000 1.377 438 I CB -0.196 37.832 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.138 120.063 120.200 0.001 0.000 2.152 439 E HA -0.185 4.164 4.350 -0.002 0.000 0.192 439 E C 2.063 178.652 176.600 -0.018 0.000 0.983 439 E CA 1.264 57.656 56.400 -0.013 0.000 0.818 439 E CB -0.262 29.421 29.700 -0.028 0.000 0.758 439 E HN 0.572 nan 8.360 nan 0.000 0.467 440 E N 0.715 120.903 120.200 -0.019 0.000 2.107 440 E HA -0.134 4.215 4.350 -0.002 0.000 0.191 440 E C 2.046 178.659 176.600 0.021 0.000 0.982 440 E CA 0.841 57.230 56.400 -0.019 0.000 0.809 440 E CB 0.044 29.725 29.700 -0.031 0.000 0.756 440 E HN 0.299 nan 8.360 nan 0.000 0.459 441 Q N 0.194 120.008 119.800 0.024 0.000 2.046 441 Q HA -0.146 4.193 4.340 -0.002 0.000 0.200 441 Q C 2.601 178.635 176.000 0.057 0.000 0.975 441 Q CA 1.831 57.658 55.803 0.039 0.000 0.836 441 Q CB -0.319 28.437 28.738 0.031 0.000 0.896 441 Q HN 0.340 nan 8.270 nan 0.000 0.428 442 V N -1.004 118.939 119.914 0.048 0.000 2.407 442 V HA -0.157 3.962 4.120 -0.002 0.000 0.248 442 V C 2.157 178.311 176.094 0.099 0.000 1.055 442 V CA 1.787 64.127 62.300 0.067 0.000 1.049 442 V CB -1.019 30.832 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.126 123.989 122.820 0.072 0.000 1.883 443 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 443 A C 2.560 180.298 177.584 0.256 0.000 1.186 443 A CA 2.995 55.100 52.037 0.114 0.000 0.624 443 A CB -1.108 17.934 19.000 0.070 0.000 0.822 443 A HN 1.278 nan 8.150 nan 0.000 0.444 444 V N -1.138 118.912 119.914 0.227 0.000 2.307 444 V HA -0.170 3.949 4.120 -0.002 0.000 0.245 444 V C 2.136 178.309 176.094 0.132 0.000 1.045 444 V CA 1.816 64.244 62.300 0.213 0.000 1.024 444 V CB -0.814 31.120 31.823 0.186 0.000 0.651 444 V HN 0.432 nan 8.190 nan 0.000 0.449 445 I N 0.064 120.702 120.570 0.113 0.000 2.208 445 I HA -0.241 3.928 4.170 -0.002 0.000 0.245 445 I C 2.628 178.807 176.117 0.102 0.000 1.097 445 I CA 2.689 64.035 61.300 0.076 0.000 1.363 445 I CB -1.499 36.540 38.000 0.065 0.000 1.051 445 I HN 0.568 nan 8.210 nan 0.000 0.413 446 Y N 2.318 122.630 120.300 0.020 0.000 2.151 446 Y HA -0.310 4.239 4.550 -0.002 0.000 0.284 446 Y C 2.636 178.557 175.900 0.035 0.000 1.166 446 Y CA 1.981 60.099 58.100 0.030 0.000 1.163 446 Y CB -0.439 38.054 38.460 0.055 0.000 0.974 446 Y HN 0.135 nan 8.280 nan 0.000 0.511 447 A N 0.213 123.154 122.820 0.201 0.000 1.884 447 A HA -0.221 4.098 4.320 -0.002 0.000 0.219 447 A C 2.479 180.017 177.584 -0.076 0.000 1.197 447 A CA 2.332 54.403 52.037 0.056 0.000 0.637 447 A CB -1.740 17.177 19.000 -0.139 0.000 0.827 447 A HN 0.637 nan 8.150 nan 0.000 0.450 448 G N -1.600 107.122 108.800 -0.129 0.000 2.411 448 G HA2 0.072 4.031 3.960 -0.002 0.000 0.213 448 G HA3 0.072 4.031 3.960 -0.002 0.000 0.213 448 G C 1.502 176.286 174.900 -0.193 0.000 1.166 448 G CA 0.857 45.848 45.100 -0.182 0.000 0.802 448 G HN 0.304 nan 8.290 nan 0.000 0.533 449 V N 0.882 120.698 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.983 4.120 -0.002 0.000 0.248 449 V C 2.924 178.864 176.094 -0.257 0.000 1.055 449 V CA 1.641 63.839 62.300 -0.170 0.000 1.038 449 V CB -0.288 31.469 31.823 -0.110 0.000 0.651 449 V HN 0.195 nan 8.190 nan 0.000 0.450 450 R N -0.423 119.847 120.500 -0.383 0.000 2.280 450 R HA 0.056 4.395 4.340 -0.002 0.000 0.207 450 R C 1.801 177.744 176.300 -0.596 0.000 1.043 450 R CA 0.903 56.677 56.100 -0.544 0.000 1.006 450 R CB -0.596 29.219 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.772 107.745 108.800 -0.472 0.000 2.201 451 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.212 451 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.212 451 G C 0.644 175.299 174.900 -0.409 0.000 0.994 451 G CA 0.134 44.984 45.100 -0.415 0.000 0.644 451 G HN 0.280 nan 8.290 nan 0.000 0.508 452 Y N 0.853 121.023 120.300 -0.217 0.000 2.241 452 Y HA 0.043 4.592 4.550 -0.002 0.000 0.286 452 Y C 2.712 178.446 175.900 -0.277 0.000 1.166 452 Y CA 1.801 59.774 58.100 -0.212 0.000 1.203 452 Y CB -0.316 38.022 38.460 -0.202 0.000 0.977 452 Y HN 0.409 nan 8.280 nan 0.000 0.529 453 L N -0.680 120.407 121.223 -0.227 0.000 2.611 453 L HA 0.086 4.425 4.340 -0.002 0.000 0.229 453 L C 0.931 177.678 176.870 -0.206 0.000 1.137 453 L CA 0.018 54.665 54.840 -0.322 0.000 0.901 453 L CB -0.255 41.531 42.059 -0.455 0.000 1.098 453 L HN 0.008 nan 8.230 nan 0.000 0.456 454 D N 1.541 121.840 120.400 -0.167 0.000 2.178 454 D HA -0.152 4.487 4.640 -0.002 0.000 0.201 454 D C 1.732 177.977 176.300 -0.092 0.000 0.980 454 D CA 1.344 55.264 54.000 -0.133 0.000 0.842 454 D CB 0.085 40.805 40.800 -0.133 0.000 0.948 454 D HN 0.314 nan 8.370 nan 0.000 0.472 455 K N -0.537 119.819 120.400 -0.072 0.000 2.374 455 K HA 0.142 4.461 4.320 -0.002 0.000 0.196 455 K C 0.359 176.947 176.600 -0.021 0.000 1.023 455 K CA -0.388 55.878 56.287 -0.035 0.000 1.103 455 K CB 0.568 33.061 32.500 -0.013 0.000 0.848 455 K HN 0.003 nan 8.250 nan 0.000 0.528 456 L N 1.522 122.714 121.223 -0.051 0.000 2.453 456 L HA 0.116 4.455 4.340 -0.002 0.000 0.261 456 L C 0.044 176.905 176.870 -0.015 0.000 1.179 456 L CA 0.073 54.898 54.840 -0.026 0.000 0.813 456 L CB 0.706 42.689 42.059 -0.127 0.000 1.110 456 L HN 0.034 nan 8.230 nan 0.000 0.466 457 E N 3.925 124.146 120.200 0.035 0.000 2.259 457 E HA 0.132 4.481 4.350 -0.002 0.000 0.281 457 E C -1.783 174.828 176.600 0.018 0.000 1.037 457 E CA -1.567 54.851 56.400 0.031 0.000 0.854 457 E CB 1.348 31.085 29.700 0.062 0.000 1.051 457 E HN 0.472 nan 8.360 nan 0.000 0.409 458 P HA -0.267 nan 4.420 nan 0.000 0.217 458 P C 1.394 178.704 177.300 0.018 0.000 1.158 458 P CA 1.828 64.921 63.100 -0.011 0.000 0.887 458 P CB 0.073 31.767 31.700 -0.011 0.000 0.792 459 S N -1.473 114.248 115.700 0.035 0.000 2.465 459 S HA -0.160 4.309 4.470 -0.002 0.000 0.241 459 S C 1.570 176.222 174.600 0.087 0.000 1.000 459 S CA 1.370 59.602 58.200 0.053 0.000 0.964 459 S CB -0.740 62.490 63.200 0.051 0.000 0.763 459 S HN 0.110 nan 8.310 nan 0.000 0.512 460 K N 0.647 121.116 120.400 0.114 0.000 2.354 460 K HA 0.430 4.749 4.320 -0.002 0.000 0.194 460 K C 1.733 178.430 176.600 0.162 0.000 1.045 460 K CA 0.150 56.558 56.287 0.201 0.000 1.026 460 K CB -0.209 32.497 32.500 0.344 0.000 0.866 460 K HN 0.289 nan 8.250 nan 0.000 0.530 461 I N 1.285 121.893 120.570 0.063 0.000 2.185 461 I HA -0.325 3.844 4.170 -0.002 0.000 0.246 461 I C 1.366 177.541 176.117 0.096 0.000 1.088 461 I CA 1.684 62.998 61.300 0.023 0.000 1.347 461 I CB -1.511 36.460 38.000 -0.048 0.000 1.041 461 I HN 0.158 nan 8.210 nan 0.000 0.415 462 T N 0.616 115.222 114.554 0.087 0.000 2.788 462 T HA -0.202 4.147 4.350 -0.002 0.000 0.268 462 T C 1.987 176.760 174.700 0.121 0.000 1.044 462 T CA 1.359 63.512 62.100 0.088 0.000 1.139 462 T CB -0.141 68.767 68.868 0.067 0.000 0.867 462 T HN 0.348 nan 8.240 nan 0.000 0.454 463 K N -0.023 120.476 120.400 0.166 0.000 2.116 463 K HA -0.010 4.309 4.320 -0.002 0.000 0.203 463 K C 2.080 178.788 176.600 0.180 0.000 1.052 463 K CA 0.661 57.079 56.287 0.218 0.000 0.952 463 K CB -0.240 32.463 32.500 0.339 0.000 0.729 463 K HN 0.328 nan 8.250 nan 0.000 0.446 464 F N 2.542 122.424 119.950 -0.113 0.000 2.026 464 F HA -0.234 4.292 4.527 -0.002 0.000 0.296 464 F C 2.372 178.095 175.800 -0.128 0.000 1.133 464 F CA 2.148 59.897 58.000 -0.417 0.000 1.188 464 F CB -0.496 38.196 39.000 -0.515 0.000 0.968 464 F HN 0.140 nan 8.300 nan 0.000 0.476 465 E N 0.270 120.604 120.200 0.223 0.000 2.065 465 E HA -0.358 3.991 4.350 -0.002 0.000 0.201 465 E C 2.226 178.852 176.600 0.043 0.000 1.016 465 E CA 1.613 58.120 56.400 0.177 0.000 0.818 465 E CB -0.580 29.225 29.700 0.175 0.000 0.749 465 E HN 0.449 nan 8.360 nan 0.000 0.453 466 N N 0.223 118.952 118.700 0.048 0.000 2.037 466 N HA -0.222 4.517 4.740 -0.002 0.000 0.196 466 N C 1.709 177.227 175.510 0.014 0.000 1.034 466 N CA 2.038 55.111 53.050 0.038 0.000 0.861 466 N CB -0.356 38.173 38.487 0.070 0.000 1.039 466 N HN 0.285 nan 8.380 nan 0.000 0.427 467 A N -0.175 122.666 122.820 0.035 0.000 1.929 467 A HA -0.065 4.254 4.320 -0.002 0.000 0.216 467 A C 2.159 179.724 177.584 -0.031 0.000 1.176 467 A CA 0.836 52.941 52.037 0.112 0.000 0.628 467 A CB -0.922 18.262 19.000 0.306 0.000 0.816 467 A HN 0.429 nan 8.150 nan 0.000 0.444 468 F N 0.203 119.789 119.950 -0.607 0.000 2.134 468 F HA -0.128 4.398 4.527 -0.002 0.000 0.299 468 F C 1.728 177.207 175.800 -0.534 0.000 1.097 468 F CA 1.723 58.997 58.000 -1.210 0.000 1.264 468 F CB -0.283 37.829 39.000 -1.481 0.000 1.001 468 F HN 0.179 nan 8.300 nan 0.000 0.479 469 L N -0.178 120.812 121.223 -0.389 0.000 2.217 469 L HA -0.076 4.263 4.340 -0.002 0.000 0.211 469 L C 2.326 179.040 176.870 -0.261 0.000 1.107 469 L CA 1.573 56.206 54.840 -0.346 0.000 0.783 469 L CB -0.910 41.085 42.059 -0.106 0.000 0.919 469 L HN 0.117 nan 8.230 nan 0.000 0.442 470 S N -1.622 113.986 115.700 -0.154 0.000 2.387 470 S HA -0.208 4.261 4.470 -0.002 0.000 0.226 470 S C 1.875 176.451 174.600 -0.040 0.000 1.026 470 S CA 1.173 59.338 58.200 -0.058 0.000 0.972 470 S CB -0.457 62.755 63.200 0.019 0.000 0.814 470 S HN 0.661 nan 8.310 nan 0.000 0.477 471 H N 2.052 121.022 119.070 -0.167 0.000 2.293 471 H HA -0.045 4.510 4.556 -0.002 0.000 0.300 471 H C 2.159 177.399 175.328 -0.147 0.000 1.082 471 H CA 2.074 58.062 56.048 -0.099 0.000 1.308 471 H CB -0.697 29.065 29.762 -0.000 0.000 1.375 471 H HN 0.217 nan 8.280 nan 0.000 0.495 472 V N -0.834 118.732 119.914 -0.579 0.000 2.809 472 V HA -0.046 4.073 4.120 -0.002 0.000 0.256 472 V C 2.302 178.231 176.094 -0.275 0.000 1.080 472 V CA 1.759 63.762 62.300 -0.495 0.000 1.102 472 V CB -0.760 30.671 31.823 -0.652 0.000 0.705 472 V HN 0.434 nan 8.190 nan 0.000 0.475 473 I N 0.864 121.293 120.570 -0.234 0.000 2.761 473 I HA -0.092 4.077 4.170 -0.002 0.000 0.261 473 I C 2.615 178.662 176.117 -0.117 0.000 1.198 473 I CA 1.384 62.594 61.300 -0.149 0.000 1.482 473 I CB 0.042 37.969 38.000 -0.122 0.000 1.100 473 I HN 0.547 nan 8.210 nan 0.000 0.445 474 S N 0.073 115.702 115.700 -0.117 0.000 2.324 474 S HA -0.086 4.383 4.470 -0.002 0.000 0.210 474 S C 1.916 176.448 174.600 -0.113 0.000 1.027 474 S CA 0.512 58.666 58.200 -0.077 0.000 0.945 474 S CB -0.096 63.097 63.200 -0.012 0.000 0.908 474 S HN 0.284 nan 8.310 nan 0.000 0.496 475 Q N -0.008 119.691 119.800 -0.168 0.000 2.096 475 Q HA 0.017 4.356 4.340 -0.002 0.000 0.197 475 Q C 0.642 176.374 176.000 -0.448 0.000 0.964 475 Q CA 1.129 56.766 55.803 -0.278 0.000 0.838 475 Q CB -0.319 28.237 28.738 -0.305 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.606 119.508 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.725 4.556 -0.002 0.000 0.302 476 H C 0.813 176.037 175.328 -0.172 0.000 1.163 476 H CA -0.105 55.811 56.048 -0.221 0.000 1.049 476 H CB 0.238 29.832 29.762 -0.279 0.000 1.543 476 H HN 0.141 nan 8.280 nan 0.000 0.523 477 Q N 0.083 119.830 119.800 -0.087 0.000 2.541 477 Q HA 0.004 4.343 4.340 -0.002 0.000 0.215 477 Q C 1.611 177.578 176.000 -0.056 0.000 0.977 477 Q CA 0.659 56.418 55.803 -0.072 0.000 0.934 477 Q CB 0.343 29.035 28.738 -0.077 0.000 0.988 477 Q HN 0.609 nan 8.270 nan 0.000 0.521 478 A N 0.096 122.887 122.820 -0.048 0.000 2.044 478 A HA 0.035 4.354 4.320 -0.002 0.000 0.213 478 A C 1.812 179.383 177.584 -0.022 0.000 1.169 478 A CA 0.018 52.033 52.037 -0.036 0.000 0.724 478 A CB -0.068 18.909 19.000 -0.039 0.000 0.840 478 A HN 0.347 nan 8.150 nan 0.000 0.463 479 L N -0.447 120.772 121.223 -0.007 0.000 2.127 479 L HA 0.019 4.358 4.340 -0.002 0.000 0.203 479 L C 2.212 179.055 176.870 -0.046 0.000 1.080 479 L CA 0.950 55.779 54.840 -0.020 0.000 0.768 479 L CB -0.223 41.824 42.059 -0.020 0.000 0.924 479 L HN 0.379 nan 8.230 nan 0.000 0.444 480 L N 0.038 121.229 121.223 -0.053 0.000 2.083 480 L HA -0.184 4.155 4.340 -0.002 0.000 0.209 480 L C 3.030 179.872 176.870 -0.046 0.000 1.083 480 L CA 1.380 56.184 54.840 -0.061 0.000 0.752 480 L CB -1.024 40.991 42.059 -0.074 0.000 0.899 480 L HN 0.395 nan 8.230 nan 0.000 0.433 481 S N 0.133 115.808 115.700 -0.042 0.000 2.399 481 S HA -0.193 4.276 4.470 -0.002 0.000 0.231 481 S C 2.108 176.691 174.600 -0.027 0.000 1.022 481 S CA 1.387 59.567 58.200 -0.034 0.000 0.983 481 S CB -0.185 nan 63.200 nan 0.000 0.803 481 S HN 0.313 nan 8.310 nan 0.000 0.480 482 K N 0.343 120.726 120.400 -0.028 0.000 1.967 482 K HA 0.072 4.391 4.320 -0.002 0.000 0.212 482 K C 1.883 178.468 176.600 -0.025 0.000 1.044 482 K CA 1.265 57.537 56.287 -0.024 0.000 0.942 482 K CB -0.453 32.032 32.500 -0.025 0.000 0.726 482 K HN 0.405 nan 8.250 nan 0.000 0.440 483 I N 1.171 121.721 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.733 4.170 -0.002 0.000 0.243 483 I C 2.763 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.483 62.762 61.300 -0.034 0.000 1.308 483 I CB -0.305 37.666 38.000 -0.049 0.000 1.015 483 I HN 0.283 nan 8.210 nan 0.000 0.410 484 R N 0.248 120.735 120.500 -0.021 0.000 2.127 484 R HA -0.201 4.138 4.340 -0.002 0.000 0.228 484 R C 2.302 178.597 176.300 -0.007 0.000 1.125 484 R CA 2.716 58.810 56.100 -0.011 0.000 0.904 484 R CB -0.757 29.534 30.300 -0.015 0.000 0.831 484 R HN 0.253 nan 8.270 nan 0.000 0.431 485 T N 1.250 115.798 114.554 -0.010 0.000 2.516 485 T HA -0.187 4.162 4.350 -0.002 0.000 0.261 485 T C 1.303 175.999 174.700 -0.007 0.000 1.130 485 T CA 2.136 64.232 62.100 -0.008 0.000 1.193 485 T CB -0.699 68.163 68.868 -0.010 0.000 0.864 485 T HN 0.400 nan 8.240 nan 0.000 0.410 486 D N 0.339 120.734 120.400 -0.009 0.000 2.357 486 D HA 0.017 4.656 4.640 -0.002 0.000 0.216 486 D C 1.629 177.926 176.300 -0.005 0.000 0.973 486 D CA 1.152 55.148 54.000 -0.007 0.000 0.912 486 D CB -0.805 39.990 40.800 -0.008 0.000 0.900 486 D HN 0.610 nan 8.370 nan 0.000 0.501 487 G N 0.311 109.108 108.800 -0.006 0.000 2.205 487 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.269 487 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.269 487 G C 0.474 175.373 174.900 -0.002 0.000 0.977 487 G CA 1.489 46.587 45.100 -0.004 0.000 0.652 487 G HN 0.630 nan 8.290 nan 0.000 0.539 488 K N -1.762 118.636 120.400 -0.003 0.000 2.305 488 K HA 0.787 5.106 4.320 -0.002 0.000 0.268 488 K C -1.057 175.540 176.600 -0.004 0.000 1.034 488 K CA -1.370 54.918 56.287 0.002 0.000 0.879 488 K CB 0.869 33.373 32.500 0.006 0.000 1.506 488 K HN 0.074 nan 8.250 nan 0.000 0.425 489 I N 2.813 123.386 120.570 0.004 0.000 2.310 489 I HA 0.133 4.302 4.170 -0.002 0.000 0.287 489 I C -0.192 175.928 176.117 0.005 0.000 1.073 489 I CA -0.068 61.227 61.300 -0.009 0.000 1.216 489 I CB 1.288 39.283 38.000 -0.008 0.000 1.415 489 I HN 0.710 nan 8.210 nan 0.000 0.480 490 S N 3.503 119.201 115.700 -0.005 0.000 2.580 490 S HA 0.045 4.514 4.470 -0.002 0.000 0.266 490 S C 1.220 175.828 174.600 0.014 0.000 1.354 490 S CA -0.400 57.803 58.200 0.005 0.000 1.008 490 S CB 0.839 64.039 63.200 -0.000 0.000 0.898 490 S HN 0.713 nan 8.310 nan 0.000 0.555 491 E N 0.567 120.780 120.200 0.021 0.000 2.160 491 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 491 E C 1.705 178.323 176.600 0.029 0.000 0.991 491 E CA 1.269 57.688 56.400 0.032 0.000 0.810 491 E CB -0.018 29.698 29.700 0.028 0.000 0.742 491 E HN 0.797 nan 8.360 nan 0.000 0.466 492 E N -0.098 120.112 120.200 0.016 0.000 1.999 492 E HA -0.108 4.241 4.350 -0.002 0.000 0.194 492 E C 2.166 178.766 176.600 0.001 0.000 0.995 492 E CA 1.073 57.480 56.400 0.012 0.000 0.825 492 E CB -0.094 29.610 29.700 0.006 0.000 0.777 492 E HN 0.085 nan 8.360 nan 0.000 0.459 493 S N 1.295 116.985 115.700 -0.016 0.000 2.423 493 S HA -0.215 4.254 4.470 -0.002 0.000 0.238 493 S C 1.530 176.084 174.600 -0.077 0.000 1.028 493 S CA 1.177 59.348 58.200 -0.048 0.000 1.000 493 S CB -0.348 62.816 63.200 -0.060 0.000 0.797 493 S HN 0.311 nan 8.310 nan 0.000 0.487 494 D N 1.314 121.694 120.400 -0.033 0.000 2.097 494 D HA -0.080 4.559 4.640 -0.002 0.000 0.195 494 D C 2.121 178.453 176.300 0.054 0.000 0.989 494 D CA 1.306 55.308 54.000 0.004 0.000 0.827 494 D CB -0.157 40.700 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.883 123.735 122.820 0.055 0.000 1.933 495 A HA -0.177 4.142 4.320 -0.002 0.000 0.218 495 A C 2.173 179.780 177.584 0.038 0.000 1.175 495 A CA 1.835 53.911 52.037 0.065 0.000 0.628 495 A CB -0.463 18.568 19.000 0.051 0.000 0.814 495 A HN 0.239 nan 8.150 nan 0.000 0.444 496 K N -0.484 119.919 120.400 0.005 0.000 2.097 496 K HA 0.007 4.326 4.320 -0.002 0.000 0.205 496 K C 1.811 178.380 176.600 -0.051 0.000 1.050 496 K CA 1.127 57.408 56.287 -0.010 0.000 0.938 496 K CB -0.289 32.202 32.500 -0.014 0.000 0.718 496 K HN 0.417 nan 8.250 nan 0.000 0.442 497 L N 1.110 122.277 121.223 -0.093 0.000 2.056 497 L HA -0.165 4.174 4.340 -0.002 0.000 0.207 497 L C 2.584 179.444 176.870 -0.017 0.000 1.078 497 L CA 1.429 56.191 54.840 -0.130 0.000 0.749 497 L CB -0.358 41.465 42.059 -0.393 0.000 0.901 497 L HN 0.232 nan 8.230 nan 0.000 0.433 498 K N 0.086 120.529 120.400 0.071 0.000 2.020 498 K HA -0.293 4.026 4.320 -0.002 0.000 0.212 498 K C 1.999 178.561 176.600 -0.063 0.000 1.050 498 K CA 2.089 58.404 56.287 0.048 0.000 0.929 498 K CB -0.012 32.590 32.500 0.169 0.000 0.714 498 K HN 0.117 nan 8.250 nan 0.000 0.443 499 E N 0.704 120.905 120.200 0.003 0.000 2.051 499 E HA -0.133 4.216 4.350 -0.002 0.000 0.192 499 E C 1.922 178.543 176.600 0.035 0.000 0.991 499 E CA 1.492 57.905 56.400 0.022 0.000 0.799 499 E CB -0.142 29.586 29.700 0.046 0.000 0.748 499 E HN 0.370 nan 8.360 nan 0.000 0.449 500 I N 0.131 120.712 120.570 0.018 0.000 2.194 500 I HA -0.286 3.883 4.170 -0.002 0.000 0.246 500 I C 2.336 178.563 176.117 0.183 0.000 1.093 500 I CA 1.406 62.741 61.300 0.058 0.000 1.355 500 I CB -0.427 37.481 38.000 -0.153 0.000 1.046 500 I HN 0.138 nan 8.210 nan 0.000 0.413 501 V N -1.815 118.130 119.914 0.053 0.000 2.649 501 V HA -0.095 4.024 4.120 -0.002 0.000 0.248 501 V C 2.362 178.442 176.094 -0.023 0.000 1.054 501 V CA 1.640 63.932 62.300 -0.012 0.000 1.073 501 V CB -1.159 30.469 31.823 -0.325 0.000 0.699 501 V HN 0.546 nan 8.190 nan 0.000 0.463 502 T N -2.462 112.025 114.554 -0.111 0.000 3.055 502 T HA -0.006 4.343 4.350 -0.002 0.000 0.265 502 T C 1.655 176.404 174.700 0.082 0.000 1.111 502 T CA 1.299 63.384 62.100 -0.025 0.000 1.118 502 T CB -0.534 68.316 68.868 -0.030 0.000 0.909 502 T HN 0.501 nan 8.240 nan 0.000 0.501 503 N N -0.044 118.728 118.700 0.120 0.000 2.432 503 N HA 0.199 4.938 4.740 -0.002 0.000 0.174 503 N C 1.197 176.799 175.510 0.153 0.000 1.037 503 N CA 0.286 53.409 53.050 0.123 0.000 0.892 503 N CB -0.247 38.308 38.487 0.114 0.000 1.049 503 N HN 0.379 nan 8.380 nan 0.000 0.442 504 F N 2.055 122.064 119.950 0.099 0.000 2.146 504 F HA 0.062 4.588 4.527 -0.002 0.000 0.298 504 F C 2.154 178.057 175.800 0.171 0.000 1.096 504 F CA 0.805 58.871 58.000 0.110 0.000 1.275 504 F CB -0.222 38.889 39.000 0.185 0.000 1.008 504 F HN -0.097 nan 8.300 nan 0.000 0.480 505 L N -0.356 121.149 121.223 0.470 0.000 2.017 505 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 505 L C 2.741 179.782 176.870 0.285 0.000 1.073 505 L CA 1.310 56.420 54.840 0.450 0.000 0.745 505 L CB -0.925 41.326 42.059 0.321 0.000 0.894 505 L HN 0.259 nan 8.230 nan 0.000 0.432 506 A N -0.027 122.895 122.820 0.169 0.000 1.865 506 A HA -0.199 4.120 4.320 -0.002 0.000 0.217 506 A C 2.332 179.946 177.584 0.050 0.000 1.191 506 A CA 1.924 54.019 52.037 0.097 0.000 0.623 506 A CB -1.440 17.599 19.000 0.066 0.000 0.826 506 A HN 0.489 nan 8.150 nan 0.000 0.444 507 G N -1.280 107.517 108.800 -0.006 0.000 2.514 507 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.217 507 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.217 507 G C 1.462 176.315 174.900 -0.079 0.000 1.198 507 G CA 1.236 46.269 45.100 -0.111 0.000 0.780 507 G HN 0.454 nan 8.290 nan 0.000 0.565 508 F N 1.448 121.288 119.950 -0.184 0.000 2.115 508 F HA -0.097 4.429 4.527 -0.002 0.000 0.300 508 F C 2.136 177.942 175.800 0.009 0.000 1.092 508 F CA 1.815 59.775 58.000 -0.066 0.000 1.245 508 F CB 0.119 39.200 39.000 0.135 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.267 120.519 120.200 0.087 0.000 2.411 509 E HA 0.341 4.690 4.350 -0.002 0.000 0.228 509 E C 0.044 176.622 176.600 -0.038 0.000 1.169 509 E CA -0.285 56.117 56.400 0.003 0.000 1.421 509 E CB 0.035 29.805 29.700 0.115 0.000 1.333 509 E HN 0.312 nan 8.360 nan 0.000 0.434 510 A N 0.000 122.769 122.820 -0.085 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 510 A CB 0.000 18.955 19.000 -0.074 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486