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 2w6i_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 2.467 123.692 121.223 0.003 0.000 2.611 25 L HA 0.253 4.592 4.340 -0.002 0.000 0.229 25 L C 1.749 178.597 176.870 -0.036 0.000 1.137 25 L CA 0.170 55.004 54.840 -0.011 0.000 0.901 25 L CB 0.275 42.328 42.059 -0.010 0.000 1.098 25 L HN 0.439 nan 8.230 nan 0.000 0.456 26 E N 0.041 120.224 120.200 -0.028 0.000 2.166 26 E HA -0.061 4.288 4.350 -0.002 0.000 0.192 26 E C 1.257 177.835 176.600 -0.036 0.000 0.967 26 E CA 0.466 56.846 56.400 -0.034 0.000 0.840 26 E CB 0.617 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 0.117 120.299 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.394 4.350 -0.002 0.000 0.208 27 E C 0.317 176.891 176.600 -0.043 0.000 0.997 27 E CA 0.260 56.638 56.400 -0.036 0.000 0.961 27 E CB 1.496 31.178 29.700 -0.030 0.000 1.030 27 E HN 0.148 nan 8.360 nan 0.000 0.483 28 T N -2.251 112.281 114.554 -0.037 0.000 2.864 28 T HA 0.719 5.068 4.350 -0.002 0.000 0.299 28 T C -0.022 174.660 174.700 -0.030 0.000 1.166 28 T CA -0.552 61.523 62.100 -0.040 0.000 1.007 28 T CB 2.486 71.336 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.468 109.251 108.800 -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 -1.562 173.362 174.900 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 -0.538 120.019 120.500 0.094 0.000 2.599 30 R HA 0.516 4.855 4.340 -0.002 0.000 0.295 30 R C -0.721 175.648 176.300 0.114 0.000 0.963 30 R CA -0.722 55.434 56.100 0.093 0.000 0.883 30 R CB 2.555 32.903 30.300 0.079 0.000 1.171 30 R HN 0.329 nan 8.270 nan 0.000 0.450 31 V N 5.079 125.065 119.914 0.120 0.000 2.521 31 V HA -0.002 4.117 4.120 -0.002 0.000 0.286 31 V C 1.360 177.507 176.094 0.087 0.000 1.034 31 V CA 0.301 62.682 62.300 0.135 0.000 1.045 31 V CB 0.660 32.578 31.823 0.159 0.000 0.974 31 V HN 0.737 nan 8.190 nan 0.000 0.480 32 L N 3.608 124.882 121.223 0.085 0.000 2.298 32 L HA 0.178 4.517 4.340 -0.002 0.000 0.209 32 L C 0.867 177.759 176.870 0.038 0.000 1.084 32 L CA 0.817 55.687 54.840 0.050 0.000 0.816 32 L CB 0.151 42.245 42.059 0.058 0.000 0.967 32 L HN 0.873 nan 8.230 nan 0.000 0.460 33 S N -0.904 114.824 115.700 0.047 0.000 2.543 33 S HA 0.591 5.060 4.470 -0.002 0.000 0.274 33 S C -1.220 173.398 174.600 0.031 0.000 1.149 33 S CA -0.819 57.398 58.200 0.030 0.000 0.866 33 S CB 2.312 65.527 63.200 0.024 0.000 1.111 33 S HN -0.008 nan 8.310 nan 0.000 0.457 34 I N 0.919 121.495 120.570 0.010 0.000 2.569 34 I HA 0.905 5.074 4.170 -0.002 0.000 0.290 34 I C -0.299 175.807 176.117 -0.019 0.000 1.088 34 I CA 0.297 61.592 61.300 -0.009 0.000 1.047 34 I CB 1.519 39.497 38.000 -0.037 0.000 1.237 34 I HN 1.358 nan 8.210 nan 0.000 0.421 35 G N 4.353 113.141 108.800 -0.021 0.000 2.616 35 G HA2 0.391 4.350 3.960 -0.002 0.000 0.294 35 G HA3 0.391 4.350 3.960 -0.002 0.000 0.294 35 G C -1.186 173.701 174.900 -0.022 0.000 1.489 35 G CA -0.544 44.543 45.100 -0.022 0.000 0.836 35 G HN 0.624 nan 8.290 nan 0.000 0.527 36 D N -0.378 120.008 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.440 4.640 -0.002 0.000 0.233 36 D C 1.680 177.964 176.300 -0.026 0.000 1.155 36 D CA 2.762 56.748 54.000 -0.025 0.000 0.667 36 D CB -1.113 39.673 40.800 -0.024 0.000 1.060 36 D HN 2.204 nan 8.370 nan 0.000 0.427 37 G N -1.061 107.721 108.800 -0.030 0.000 2.168 37 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.263 37 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.263 37 G C 0.267 175.162 174.900 -0.009 0.000 0.977 37 G CA 0.400 45.483 45.100 -0.028 0.000 0.659 37 G HN 0.499 nan 8.290 nan 0.000 0.533 38 I N 1.061 121.628 120.570 -0.005 0.000 2.354 38 I HA 0.676 4.845 4.170 -0.002 0.000 0.292 38 I C 0.602 176.741 176.117 0.036 0.000 0.989 38 I CA -0.914 60.400 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 -0.104 177.565 177.584 0.141 0.000 1.178 39 A CA -0.708 51.408 52.037 0.133 0.000 0.817 39 A CB 1.037 20.204 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.254 122.824 120.500 0.117 0.000 2.312 40 R HA 0.393 4.732 4.340 -0.002 0.000 0.310 40 R C -1.146 175.222 176.300 0.114 0.000 1.064 40 R CA -0.285 55.873 56.100 0.097 0.000 0.983 40 R CB 1.076 31.417 30.300 0.067 0.000 1.139 40 R HN 0.518 nan 8.270 nan 0.000 0.536 41 V N 2.848 122.829 119.914 0.112 0.000 2.509 41 V HA 0.171 4.290 4.120 -0.002 0.000 0.284 41 V C 0.244 176.397 176.094 0.100 0.000 1.047 41 V CA -0.767 61.596 62.300 0.105 0.000 0.952 41 V CB 1.298 33.154 31.823 0.055 0.000 0.988 41 V HN 0.600 nan 8.190 nan 0.000 0.469 42 H N 2.546 121.629 119.070 0.021 0.000 2.517 42 H HA 0.662 5.217 4.556 -0.001 0.000 0.317 42 H C 0.380 175.709 175.328 0.002 0.000 1.080 42 H CA 1.081 57.136 56.048 0.012 0.000 1.301 42 H CB 0.900 30.670 29.762 0.014 0.000 1.425 42 H HN 1.069 nan 8.280 nan 0.000 0.471 43 G N 3.031 111.605 108.800 -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 -0.469 44.501 45.100 -0.217 0.000 1.074 43 G HN 1.152 nan 8.290 nan 0.000 0.577 44 L N -0.476 120.699 121.223 -0.080 0.000 3.717 44 L HA -0.205 4.134 4.340 -0.002 0.000 0.414 44 L C 2.276 179.105 176.870 -0.068 0.000 1.228 44 L CA 0.770 55.568 54.840 -0.070 0.000 0.918 44 L CB -0.766 41.251 42.059 -0.071 0.000 1.865 44 L HN 0.643 nan 8.230 nan 0.000 0.922 45 R N 0.525 120.982 120.500 -0.072 0.000 2.170 45 R HA -0.093 4.246 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 1.452 57.514 56.100 -0.063 0.000 0.984 45 R CB -0.278 29.985 30.300 -0.061 0.000 0.869 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 N N 0.253 118.928 118.700 -0.041 0.000 2.280 46 N HA -0.013 4.726 4.740 -0.002 0.000 0.192 46 N C 0.101 175.591 175.510 -0.032 0.000 1.109 46 N CA 0.128 53.159 53.050 -0.033 0.000 0.855 46 N CB 0.349 38.818 38.487 -0.030 0.000 0.974 46 N HN 0.006 nan 8.380 nan 0.000 0.482 47 V N 0.201 120.093 119.914 -0.037 0.000 2.872 47 V HA 0.041 4.160 4.120 -0.002 0.000 0.307 47 V C 0.410 176.491 176.094 -0.022 0.000 1.072 47 V CA -0.524 61.755 62.300 -0.034 0.000 1.148 47 V CB 0.181 31.981 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.867 122.657 119.800 -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 -0.520 55.278 55.803 -0.008 0.000 0.904 48 Q CB 1.204 29.937 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 0.075 4.394 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 0.206 52.257 52.037 0.022 0.000 0.758 49 A CB -0.342 18.675 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 0.875 nan 8.360 nan 0.000 0.441 51 E N 0.162 120.368 120.200 0.011 0.000 2.366 51 E HA 0.143 4.492 4.350 -0.002 0.000 0.266 51 E C -0.013 176.562 176.600 -0.040 0.000 1.051 51 E CA -0.421 55.969 56.400 -0.017 0.000 0.884 51 E CB 0.559 30.242 29.700 -0.029 0.000 1.006 51 E HN 0.026 nan 8.360 nan 0.000 0.417 52 M N 4.261 123.818 119.600 -0.071 0.000 2.162 52 M HA 0.145 4.624 4.480 -0.002 0.000 0.356 52 M C -0.078 176.138 176.300 -0.141 0.000 1.303 52 M CA -0.216 55.003 55.300 -0.134 0.000 1.116 52 M CB 0.606 33.114 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.255 121.062 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.845 4.120 -0.002 0.000 0.313 53 V C -0.846 175.096 176.094 -0.254 0.000 1.162 53 V CA -0.850 61.323 62.300 -0.211 0.000 1.048 53 V CB 2.367 34.044 31.823 -0.243 0.000 1.092 53 V HN 0.887 nan 8.190 nan 0.000 0.447 54 E N 0.313 120.345 120.200 -0.280 0.000 2.256 54 E HA 0.523 4.872 4.350 -0.002 0.000 0.268 54 E C -1.807 174.634 176.600 -0.266 0.000 0.877 54 E CA -0.664 55.614 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 0.623 nan 8.360 nan 0.000 0.418 55 F N 1.602 121.547 119.950 -0.008 0.000 2.382 55 F HA 0.118 4.644 4.527 -0.002 0.000 0.331 55 F C 1.908 177.711 175.800 0.004 0.000 1.121 55 F CA -0.165 57.837 58.000 0.005 0.000 1.183 55 F CB 1.243 40.252 39.000 0.015 0.000 1.207 55 F HN 0.519 nan 8.300 nan 0.000 0.555 56 S N 0.638 116.444 115.700 0.177 0.000 2.414 56 S HA -0.335 4.134 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 2.073 60.334 58.200 0.102 0.000 1.174 56 S CB -1.134 62.120 63.200 0.089 0.000 1.087 56 S HN 0.813 nan 8.310 nan 0.000 0.428 57 S N 1.246 117.011 115.700 0.109 0.000 2.462 57 S HA -0.041 4.428 4.470 -0.002 0.000 0.251 57 S C 1.709 176.355 174.600 0.078 0.000 1.018 57 S CA 1.607 59.853 58.200 0.078 0.000 0.988 57 S CB -1.052 62.185 63.200 0.062 0.000 0.766 57 S HN 1.442 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 -0.102 45.046 45.100 0.079 0.000 0.637 58 G HN 0.475 nan 8.290 nan 0.000 0.505 59 L N 1.701 123.015 121.223 0.152 0.000 2.456 59 L HA 0.499 4.838 4.340 -0.002 0.000 0.272 59 L C 0.977 178.007 176.870 0.266 0.000 1.189 59 L CA 0.593 55.541 54.840 0.181 0.000 0.846 59 L CB 0.659 42.798 42.059 0.133 0.000 1.111 59 L HN 0.262 nan 8.230 nan 0.000 0.475 60 K N 0.859 121.357 120.400 0.163 0.000 2.148 60 K HA 0.818 5.137 4.320 -0.002 0.000 0.239 60 K C -0.072 176.612 176.600 0.140 0.000 1.018 60 K CA -0.495 55.802 56.287 0.017 0.000 0.923 60 K CB 1.184 33.527 32.500 -0.261 0.000 1.117 60 K HN 0.746 nan 8.250 nan 0.000 0.477 61 G N 0.201 108.978 108.800 -0.039 0.000 2.673 61 G HA2 0.486 4.445 3.960 -0.002 0.000 0.292 61 G HA3 0.486 4.445 3.960 -0.002 0.000 0.292 61 G C -1.893 172.988 174.900 -0.031 0.000 1.450 61 G CA -0.826 44.398 45.100 0.207 0.000 0.837 61 G HN 0.499 nan 8.290 nan 0.000 0.505 62 M N 1.142 120.858 119.600 0.193 0.000 2.321 62 M HA 0.610 5.089 4.480 -0.002 0.000 0.315 62 M C -0.554 175.832 176.300 0.143 0.000 1.052 62 M CA -0.523 54.866 55.300 0.148 0.000 0.936 62 M CB 1.835 34.640 32.600 0.341 0.000 1.639 62 M HN 0.320 nan 8.290 nan 0.000 0.433 63 S N 5.918 121.660 115.700 0.071 0.000 2.423 63 S HA 0.261 4.730 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 -0.480 57.755 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 2.131 123.399 121.223 0.075 0.000 2.463 64 L HA 0.223 4.562 4.340 -0.002 0.000 0.219 64 L C 0.102 176.999 176.870 0.045 0.000 1.088 64 L CA 0.456 55.335 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 -1.092 174.431 175.510 0.022 0.000 0.998 65 N CA -0.111 52.955 53.050 0.026 0.000 0.918 65 N CB 1.501 39.999 38.487 0.019 0.000 1.215 65 N HN -0.032 nan 8.380 nan 0.000 0.500 66 L N 1.994 123.227 121.223 0.018 0.000 2.272 66 L HA 0.439 4.779 4.340 -0.002 0.000 0.284 66 L C 0.338 177.211 176.870 0.006 0.000 1.045 66 L CA -0.367 54.478 54.840 0.008 0.000 0.842 66 L CB 0.779 42.841 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.493 123.695 120.200 0.003 0.000 2.232 67 E HA 0.308 4.657 4.350 -0.002 0.000 0.264 67 E C -1.593 175.004 176.600 -0.004 0.000 0.973 67 E CA -1.754 54.648 56.400 0.003 0.000 0.849 67 E CB 1.730 31.435 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 1.513 64.610 63.100 -0.006 0.000 0.894 68 P CB 0.106 31.807 31.700 0.001 0.000 0.791 69 D N -1.867 118.533 120.400 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 -0.171 53.834 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 -2.046 173.466 175.510 0.005 0.000 1.418 70 N CA -0.949 52.106 53.050 0.008 0.000 0.880 70 N CB 1.142 39.659 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 1.030 32.854 31.823 0.001 0.000 0.991 71 V HN 0.891 nan 8.190 nan 0.000 0.437 72 G N 4.068 112.894 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.443 3.960 -0.002 0.000 0.305 72 G HA3 0.483 4.443 3.960 -0.002 0.000 0.305 72 G C -0.510 174.439 174.900 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 3.356 123.347 119.914 0.128 0.000 2.472 73 V HA 0.200 4.319 4.120 -0.002 0.000 0.290 73 V C 0.278 176.498 176.094 0.210 0.000 1.037 73 V CA -0.675 61.735 62.300 0.183 0.000 0.908 73 V CB 1.949 33.925 31.823 0.255 0.000 0.985 73 V HN 0.428 nan 8.190 nan 0.000 0.454 74 V N 6.263 126.309 119.914 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 0.343 0.000 1.065 74 V CA -0.190 62.239 62.300 0.214 0.000 0.935 74 V CB 1.348 33.284 31.823 0.188 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.702 126.757 119.914 0.235 0.000 2.521 75 V HA 0.123 4.242 4.120 -0.002 0.000 0.286 75 V C 0.427 176.703 176.094 0.302 0.000 1.034 75 V CA 0.014 62.457 62.300 0.238 0.000 1.045 75 V CB 0.380 32.175 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.872 124.878 119.950 0.093 0.000 2.733 76 F HA 0.589 5.115 4.527 -0.002 0.000 0.344 76 F C 1.068 176.896 175.800 0.047 0.000 1.179 76 F CA 0.300 58.348 58.000 0.080 0.000 1.316 76 F CB -0.124 38.937 39.000 0.102 0.000 1.577 76 F HN 0.733 nan 8.300 nan 0.000 0.591 77 G N 0.327 109.203 108.800 0.127 0.000 2.351 77 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.279 77 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.279 77 G C -1.477 173.431 174.900 0.013 0.000 1.297 77 G CA -1.209 43.932 45.100 0.068 0.000 0.886 77 G HN 0.063 nan 8.290 nan 0.000 0.493 78 N N 1.552 120.252 118.700 0.000 0.000 2.452 78 N HA 0.167 4.907 4.740 -0.002 0.000 0.266 78 N C 0.674 176.153 175.510 -0.052 0.000 1.175 78 N CA 0.229 53.267 53.050 -0.020 0.000 0.945 78 N CB 0.801 39.282 38.487 -0.011 0.000 1.063 78 N HN 0.506 nan 8.380 nan 0.000 0.472 79 D N 2.789 123.150 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.561 4.640 -0.002 0.000 0.243 79 D C 0.930 177.182 176.300 -0.080 0.000 1.184 79 D CA 0.045 53.983 54.000 -0.104 0.000 0.853 79 D CB 0.166 40.901 40.800 -0.108 0.000 0.944 79 D HN 0.660 nan 8.370 nan 0.000 0.501 80 K N 1.063 121.430 120.400 -0.055 0.000 2.262 80 K HA -0.024 4.295 4.320 -0.002 0.000 0.200 80 K C 1.490 178.066 176.600 -0.039 0.000 1.049 80 K CA 0.043 56.307 56.287 -0.038 0.000 0.979 80 K CB -0.030 32.456 32.500 -0.023 0.000 0.773 80 K HN 0.163 nan 8.250 nan 0.000 0.474 81 L N 1.970 123.163 121.223 -0.049 0.000 2.660 81 L HA 0.289 4.628 4.340 -0.002 0.000 0.238 81 L C 0.225 177.059 176.870 -0.061 0.000 1.161 81 L CA 0.027 54.843 54.840 -0.040 0.000 0.937 81 L CB -0.209 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 -0.344 175.742 176.117 -0.052 0.000 1.056 82 I CA -0.519 60.715 61.300 -0.109 0.000 1.057 82 I CB 2.179 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 3.617 124.014 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.706 4.320 -0.002 0.000 0.245 83 K C -0.741 175.875 176.600 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 0.102 120.315 120.200 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 1.455 57.872 56.400 0.028 0.000 0.928 84 E CB 0.200 29.909 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.015 112.842 108.800 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 0.222 45.347 45.100 0.041 0.000 0.618 85 G HN 0.685 nan 8.290 nan 0.000 0.521 86 D N 0.691 121.140 120.400 0.081 0.000 2.548 86 D HA 0.300 4.939 4.640 -0.002 0.000 0.231 86 D C 0.806 177.173 176.300 0.112 0.000 1.142 86 D CA 0.338 54.403 54.000 0.107 0.000 0.866 86 D CB 0.425 41.316 40.800 0.153 0.000 1.190 86 D HN 0.311 nan 8.370 nan 0.000 0.469 87 I N 1.924 122.544 120.570 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 -0.292 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 6.757 126.641 119.914 -0.050 0.000 2.513 88 V HA 0.515 4.634 4.120 -0.002 0.000 0.299 88 V C -0.110 175.890 176.094 -0.156 0.000 1.035 88 V CA -0.946 61.233 62.300 -0.203 0.000 0.889 88 V CB 1.458 33.070 31.823 -0.352 0.000 0.988 88 V HN 0.626 nan 8.190 nan 0.000 0.440 89 K N 3.418 123.716 120.400 -0.170 0.000 2.328 89 K HA 0.692 5.011 4.320 -0.002 0.000 0.246 89 K C -0.625 175.896 176.600 -0.132 0.000 0.955 89 K CA -0.953 55.265 56.287 -0.115 0.000 0.817 89 K CB 2.348 34.802 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.151 120.592 120.500 -0.098 0.000 2.615 90 R HA 0.110 4.449 4.340 -0.002 0.000 0.270 90 R C 1.007 177.259 176.300 -0.080 0.000 1.081 90 R CA -0.027 56.018 56.100 -0.092 0.000 1.154 90 R CB 0.583 30.842 30.300 -0.068 0.000 1.063 90 R HN 0.893 nan 8.270 nan 0.000 0.519 91 T N -2.699 111.809 114.554 -0.078 0.000 3.000 91 T HA 0.165 4.514 4.350 -0.002 0.000 0.248 91 T C 1.444 176.115 174.700 -0.049 0.000 1.034 91 T CA 0.501 62.562 62.100 -0.065 0.000 1.060 91 T CB 0.413 69.238 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.821 110.592 108.800 -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 0.408 175.289 174.900 -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 0.822 123.620 122.820 -0.037 0.000 2.327 93 A HA 0.725 5.045 4.320 -0.002 0.000 0.283 93 A C 0.552 178.116 177.584 -0.034 0.000 1.127 93 A CA 0.114 52.131 52.037 -0.033 0.000 0.810 93 A CB 0.546 19.525 19.000 -0.035 0.000 1.066 93 A HN 1.466 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 0.473 4.642 4.170 -0.002 0.000 0.312 94 I C -0.290 175.817 176.117 -0.018 0.000 0.988 94 I CA -0.663 60.625 61.300 -0.020 0.000 1.182 94 I CB 1.611 39.603 38.000 -0.013 0.000 1.368 94 I HN 0.358 nan 8.210 nan 0.000 0.511 95 V N 5.718 125.627 119.914 -0.009 0.000 2.475 95 V HA 0.028 4.147 4.120 -0.002 0.000 0.292 95 V C 0.010 176.107 176.094 0.005 0.000 1.003 95 V CA 0.196 62.498 62.300 0.003 0.000 1.120 95 V CB -0.714 31.132 31.823 0.038 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.632 125.035 120.400 0.006 0.000 2.523 96 D HA 0.722 5.361 4.640 -0.002 0.000 0.236 96 D C -0.570 175.737 176.300 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 43.230 40.800 0.000 0.000 1.447 96 D HN 0.454 nan 8.370 nan 0.000 0.479 97 V N -4.693 115.228 119.914 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 60.016 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 0.202 63.273 63.100 -0.048 0.000 0.788 98 P CB 0.958 32.631 31.700 -0.045 0.000 0.926 99 V N -0.625 119.197 119.914 -0.154 0.000 3.264 99 V HA 0.698 4.817 4.120 -0.002 0.000 0.294 99 V C -0.118 175.626 176.094 -0.582 0.000 1.429 99 V CA 0.474 62.609 62.300 -0.275 0.000 1.053 99 V CB 1.682 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 2.199 110.316 108.800 -1.139 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 0.186 174.554 174.900 -0.887 0.000 1.291 100 G CA 0.149 44.093 45.100 -1.928 0.000 0.891 100 G HN 0.870 nan 8.290 nan 0.000 0.544 101 E N 0.585 120.424 120.200 -0.602 0.000 2.273 101 E HA -0.191 4.158 4.350 -0.002 0.000 0.198 101 E C 2.112 178.667 176.600 -0.075 0.000 1.002 101 E CA 1.623 57.930 56.400 -0.154 0.000 0.828 101 E CB -0.078 29.599 29.700 -0.039 0.000 0.747 101 E HN 0.745 nan 8.360 nan 0.000 0.491 102 E N 1.072 121.199 120.200 -0.122 0.000 2.274 102 E HA -0.098 4.251 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 0.405 56.771 56.400 -0.058 0.000 0.840 102 E CB -0.318 29.344 29.700 -0.062 0.000 0.772 102 E HN 0.348 nan 8.360 nan 0.000 0.491 103 L N 0.947 122.141 121.223 -0.047 0.000 2.362 103 L HA 0.035 4.374 4.340 -0.002 0.000 0.219 103 L C 1.345 178.240 176.870 0.040 0.000 1.134 103 L CA 0.260 55.097 54.840 -0.005 0.000 0.807 103 L CB -0.631 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 0.555 121.822 121.223 0.072 0.000 2.573 104 L HA -0.025 4.314 4.340 -0.002 0.000 0.290 104 L C 1.446 178.350 176.870 0.056 0.000 1.247 104 L CA 0.779 55.678 54.840 0.099 0.000 0.876 104 L CB -0.320 41.827 42.059 0.147 0.000 1.123 104 L HN 0.392 nan 8.230 nan 0.000 0.505 105 G N 1.534 110.355 108.800 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 -0.058 45.043 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.217 119.291 120.500 0.013 0.000 2.854 106 R HA 0.724 5.063 4.340 -0.002 0.000 0.271 106 R C -0.365 175.945 176.300 0.016 0.000 0.996 106 R CA -1.002 55.105 56.100 0.012 0.000 0.961 106 R CB 1.857 32.165 30.300 0.014 0.000 1.182 106 R HN 0.243 nan 8.270 nan 0.000 0.479 107 V N 2.423 122.346 119.914 0.015 0.000 2.326 107 V HA 0.353 4.472 4.120 -0.002 0.000 0.281 107 V C -0.033 176.076 176.094 0.026 0.000 1.015 107 V CA -0.822 61.491 62.300 0.022 0.000 0.823 107 V CB 1.346 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 1.156 121.090 119.914 0.033 0.000 2.815 108 V HA 0.789 4.908 4.120 -0.002 0.000 0.314 108 V C -0.044 176.074 176.094 0.040 0.000 1.064 108 V CA -0.824 61.496 62.300 0.033 0.000 0.952 108 V CB 1.969 33.810 31.823 0.031 0.000 1.020 108 V HN 0.753 nan 8.190 nan 0.000 0.439 109 D N 3.073 123.498 120.400 0.041 0.000 2.398 109 D HA 0.376 5.015 4.640 -0.002 0.000 0.264 109 D C 1.250 177.580 176.300 0.050 0.000 1.263 109 D CA 0.121 54.149 54.000 0.046 0.000 1.037 109 D CB 0.815 41.645 40.800 0.050 0.000 1.101 109 D HN 0.772 nan 8.370 nan 0.000 0.551 110 A N -0.870 121.982 122.820 0.053 0.000 2.067 110 A HA -0.007 4.312 4.320 -0.002 0.000 0.219 110 A C 2.148 179.776 177.584 0.075 0.000 1.158 110 A CA 0.725 52.794 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 -1.507 119.769 121.223 0.088 0.000 2.628 111 L HA 0.245 4.584 4.340 -0.002 0.000 0.229 111 L C 1.599 178.503 176.870 0.058 0.000 1.137 111 L CA 0.490 55.385 54.840 0.091 0.000 0.909 111 L CB -0.057 42.075 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 0.477 5.216 4.740 -0.002 0.000 0.266 113 N C 0.606 176.131 175.510 0.026 0.000 1.196 113 N CA 0.740 53.807 53.050 0.029 0.000 0.947 113 N CB 1.165 39.675 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.074 124.905 122.820 0.019 0.000 2.409 114 A HA 0.282 4.601 4.320 -0.002 0.000 0.262 114 A C 1.275 178.870 177.584 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 18.616 19.000 0.011 0.000 1.046 114 A HN 0.807 nan 8.150 nan 0.000 0.496 115 I N -0.510 120.072 120.570 0.020 0.000 4.147 115 I HA 0.246 4.415 4.170 -0.002 0.000 0.329 115 I C 0.370 176.496 176.117 0.015 0.000 1.424 115 I CA -0.006 61.306 61.300 0.020 0.000 1.127 115 I CB 0.462 38.478 38.000 0.025 0.000 1.128 115 I HN 0.454 nan 8.210 nan 0.000 0.417 116 D N 1.265 121.671 120.400 0.011 0.000 2.328 116 D HA 0.116 4.755 4.640 -0.002 0.000 0.221 116 D C 1.638 177.940 176.300 0.004 0.000 1.072 116 D CA 0.358 54.362 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 1.129 109.933 108.800 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 0.595 45.699 45.100 0.006 0.000 0.812 117 G HN 0.477 nan 8.290 nan 0.000 0.508 118 K N 0.085 120.487 120.400 0.003 0.000 2.446 118 K HA 0.446 4.765 4.320 -0.002 0.000 0.203 118 K C 1.283 177.884 176.600 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 2.634 111.436 108.800 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 -1.297 43.804 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 0.713 178.010 177.300 -0.005 0.000 1.209 120 P CA -0.244 62.856 63.100 -0.001 0.000 0.776 120 P CB 0.474 32.173 31.700 -0.002 0.000 0.876 121 I N -0.925 119.640 120.570 -0.007 0.000 2.416 121 I HA 0.271 4.440 4.170 -0.002 0.000 0.288 121 I C 0.889 176.993 176.117 -0.022 0.000 1.051 121 I CA -0.296 60.995 61.300 -0.015 0.000 1.375 121 I CB 0.078 38.067 38.000 -0.018 0.000 1.407 121 I HN 0.408 nan 8.210 nan 0.000 0.516 122 G N 5.388 114.173 108.800 -0.025 0.000 3.455 122 G HA2 0.170 4.129 3.960 -0.002 0.000 0.250 122 G HA3 0.170 4.129 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 -0.436 115.233 115.700 -0.052 0.000 2.481 123 S HA 0.318 4.788 4.470 -0.002 0.000 0.276 123 S C 0.984 175.547 174.600 -0.062 0.000 1.247 123 S CA -0.608 57.547 58.200 -0.075 0.000 1.053 123 S CB 2.313 65.465 63.200 -0.081 0.000 0.925 123 S HN 0.377 nan 8.310 nan 0.000 0.491 124 K N 2.656 123.014 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.555 4.320 -0.002 0.000 0.208 124 K C 1.067 177.642 176.600 -0.043 0.000 1.038 124 K CA 0.987 57.246 56.287 -0.046 0.000 0.943 124 K CB -0.315 32.165 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.663 124.450 122.820 -0.055 0.000 2.407 125 A HA 0.266 4.585 4.320 -0.002 0.000 0.248 125 A C -0.499 177.055 177.584 -0.050 0.000 1.082 125 A CA -0.032 51.985 52.037 -0.034 0.000 0.785 125 A CB 0.282 19.284 19.000 0.002 0.000 1.020 125 A HN 0.228 nan 8.150 nan 0.000 0.489 126 R N 1.098 121.584 120.500 -0.023 0.000 2.513 126 R HA 0.459 4.798 4.340 -0.002 0.000 0.301 126 R C -0.475 175.822 176.300 -0.004 0.000 0.968 126 R CA -0.595 55.492 56.100 -0.021 0.000 0.872 126 R CB 2.366 32.657 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 -0.479 175.830 176.300 0.014 0.000 0.993 127 R CA -0.739 55.370 56.100 0.016 0.000 0.993 127 R CB 1.473 31.792 30.300 0.031 0.000 1.155 127 R HN 0.443 nan 8.270 nan 0.000 0.486 128 R N 1.591 122.099 120.500 0.014 0.000 2.390 128 R HA 0.063 4.402 4.340 -0.002 0.000 0.291 128 R C 1.471 177.779 176.300 0.014 0.000 1.070 128 R CA -0.092 56.012 56.100 0.008 0.000 1.014 128 R CB 1.286 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 1.343 121.264 119.914 0.012 0.000 2.295 129 V HA -0.004 4.115 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 1.536 63.852 62.300 0.027 0.000 1.024 129 V CB -0.586 31.256 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 4.597 3.960 -0.002 0.000 0.320 130 G HA3 0.638 4.597 3.960 -0.002 0.000 0.320 130 G C -0.901 173.960 174.900 -0.066 0.000 1.098 130 G CA -0.423 44.593 45.100 -0.141 0.000 0.984 130 G HN 0.385 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 0.346 177.212 176.870 -0.006 0.000 1.016 131 L CA -1.209 53.625 54.840 -0.011 0.000 0.821 131 L CB 2.431 44.492 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.767 121.166 120.400 -0.001 0.000 2.237 132 K HA 0.534 4.853 4.320 -0.002 0.000 0.270 132 K C -0.174 176.426 176.600 0.001 0.000 1.015 132 K CA -0.275 56.015 56.287 0.005 0.000 0.949 132 K CB 1.248 33.755 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.420 127.242 122.820 0.005 0.000 2.448 133 A HA 0.233 4.552 4.320 -0.002 0.000 0.239 133 A C -2.123 175.442 177.584 -0.033 0.000 1.080 133 A CA -1.040 50.992 52.037 -0.007 0.000 0.779 133 A CB -0.532 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 0.168 nan 4.420 nan 0.000 0.268 134 P C 0.648 177.892 177.300 -0.095 0.000 1.204 134 P CA 0.499 63.526 63.100 -0.122 0.000 0.768 134 P CB 0.299 31.893 31.700 -0.175 0.000 0.842 135 G N 1.921 110.662 108.800 -0.098 0.000 2.527 135 G HA2 -0.015 3.944 3.960 -0.002 0.000 0.279 135 G HA3 -0.015 3.944 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 -0.539 44.527 45.100 -0.057 0.000 1.053 135 G HN 0.586 nan 8.290 nan 0.000 0.539 136 I N -0.901 119.652 120.570 -0.028 0.000 2.500 136 I HA -0.055 4.114 4.170 -0.002 0.000 0.252 136 I C 2.039 178.149 176.117 -0.012 0.000 1.142 136 I CA 0.546 61.838 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 2.065 122.630 120.570 -0.008 0.000 2.333 137 I HA -0.048 4.121 4.170 -0.002 0.000 0.246 137 I C -0.419 175.713 176.117 0.025 0.000 1.106 137 I CA 1.080 62.393 61.300 0.022 0.000 1.411 137 I CB -2.903 35.128 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 0.335 177.561 177.300 -0.125 0.000 1.184 138 P CA 0.831 63.789 63.100 -0.236 0.000 0.760 138 P CB 0.032 31.198 31.700 -0.889 0.000 0.884 139 R N -0.304 120.170 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.157 4.340 -0.002 0.000 0.228 139 R C -0.303 176.012 176.300 0.024 0.000 1.421 139 R CA -1.071 55.020 56.100 -0.015 0.000 1.073 139 R CB 1.043 31.327 30.300 -0.027 0.000 1.568 139 R HN -0.099 nan 8.270 nan 0.000 0.514 140 I N -2.066 118.517 120.570 0.023 0.000 2.882 140 I HA 0.212 4.381 4.170 -0.002 0.000 0.298 140 I C -0.986 175.143 176.117 0.021 0.000 1.462 140 I CA -0.333 60.984 61.300 0.028 0.000 1.000 140 I CB 2.512 40.535 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.697 118.407 115.700 0.017 0.000 2.599 141 S HA 0.126 4.595 4.470 -0.002 0.000 0.303 141 S C -0.092 174.515 174.600 0.011 0.000 1.267 141 S CA -0.268 57.939 58.200 0.012 0.000 1.055 141 S CB 0.210 63.416 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.280 125.198 119.914 0.007 0.000 2.485 142 V HA 0.085 4.204 4.120 -0.002 0.000 0.287 142 V C 1.147 177.237 176.094 -0.006 0.000 1.022 142 V CA 0.897 63.198 62.300 0.002 0.000 1.067 142 V CB 0.564 32.385 31.823 -0.003 0.000 0.967 142 V HN 0.831 nan 8.190 nan 0.000 0.479 143 R N 2.143 122.636 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.558 4.340 -0.002 0.000 0.237 143 R C 0.080 176.355 176.300 -0.043 0.000 0.917 143 R CA -0.193 55.895 56.100 -0.020 0.000 1.002 143 R CB 0.735 31.029 30.300 -0.010 0.000 1.428 143 R HN 0.684 nan 8.270 nan 0.000 0.603 144 E N 2.591 122.754 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.531 4.350 -0.002 0.000 0.283 144 E C -2.473 174.049 176.600 -0.130 0.000 1.030 144 E CA -2.288 54.044 56.400 -0.114 0.000 0.836 144 E CB 0.860 30.454 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 -0.647 176.541 177.300 -0.187 0.000 1.200 145 P CA 0.202 63.223 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 3.292 122.806 119.600 -0.145 0.000 2.018 146 M HA 0.170 4.649 4.480 -0.002 0.000 0.311 146 M C -0.731 175.503 176.300 -0.110 0.000 0.928 146 M CA -0.293 54.914 55.300 -0.153 0.000 0.911 146 M CB 0.679 33.214 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.114 121.841 119.800 -0.121 0.000 2.243 147 Q HA 0.341 4.680 4.340 -0.002 0.000 0.252 147 Q C 0.954 176.966 176.000 0.019 0.000 0.909 147 Q CA -0.192 55.596 55.803 -0.026 0.000 0.922 147 Q CB 1.420 30.175 28.738 0.028 0.000 1.215 147 Q HN 0.761 nan 8.270 nan 0.000 0.427 148 T N -1.976 112.589 114.554 0.018 0.000 3.010 148 T HA 0.200 4.549 4.350 -0.002 0.000 0.252 148 T C 1.243 175.965 174.700 0.035 0.000 1.047 148 T CA 0.673 62.786 62.100 0.022 0.000 1.140 148 T CB 0.106 68.976 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 -0.137 3.822 3.960 -0.002 0.000 0.220 149 G HA3 -0.137 3.822 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 -0.151 44.966 45.100 0.029 0.000 0.646 149 G HN 0.630 nan 8.290 nan 0.000 0.517 150 I N 2.492 123.067 120.570 0.009 0.000 2.304 150 I HA 0.240 4.410 4.170 -0.002 0.000 0.291 150 I C 1.786 177.908 176.117 0.008 0.000 1.018 150 I CA -0.715 60.587 61.300 0.003 0.000 1.260 150 I CB 1.288 39.285 38.000 -0.005 0.000 1.390 150 I HN 0.173 nan 8.210 nan 0.000 0.475 151 K N 5.722 126.128 120.400 0.011 0.000 2.009 151 K HA -0.212 4.107 4.320 -0.002 0.000 0.210 151 K C 1.898 178.506 176.600 0.013 0.000 1.049 151 K CA 1.612 57.908 56.287 0.015 0.000 0.929 151 K CB -0.591 31.921 32.500 0.019 0.000 0.714 151 K HN 0.651 nan 8.250 nan 0.000 0.440 152 A N 1.966 124.793 122.820 0.012 0.000 1.903 152 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 152 A C 2.590 180.183 177.584 0.014 0.000 1.191 152 A CA 2.268 54.315 52.037 0.015 0.000 0.638 152 A CB -0.982 18.029 19.000 0.018 0.000 0.823 152 A HN 0.165 nan 8.150 nan 0.000 0.451 153 V N 0.388 120.307 119.914 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 0.004 0.000 1.042 153 V CA 2.248 64.551 62.300 0.004 0.000 1.006 153 V CB -0.956 30.866 31.823 -0.003 0.000 0.641 153 V HN 0.490 nan 8.190 nan 0.000 0.446 154 D N 0.523 120.926 120.400 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 55.856 54.000 0.004 0.000 0.864 154 D CB -0.114 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 1.730 176.337 174.600 0.011 0.000 1.016 155 S CA -0.099 58.108 58.200 0.012 0.000 0.916 155 S CB 0.248 63.457 63.200 0.016 0.000 0.791 155 S HN 0.183 nan 8.310 nan 0.000 0.513 156 L N 0.764 121.995 121.223 0.013 0.000 2.920 156 L HA 0.437 4.776 4.340 -0.002 0.000 0.257 156 L C -0.410 176.470 176.870 0.017 0.000 1.150 156 L CA -0.048 54.802 54.840 0.016 0.000 0.959 156 L CB 1.427 43.499 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.056 119.865 119.914 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 0.259 32.088 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 -0.551 176.737 177.300 -0.020 0.000 1.173 158 P CA 0.620 63.712 63.100 -0.012 0.000 0.760 158 P CB 0.937 32.630 31.700 -0.011 0.000 0.783 159 I N 2.439 122.992 120.570 -0.029 0.000 2.441 159 I HA 0.513 4.682 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 -0.612 60.667 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 5.278 114.053 108.800 -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 -0.428 174.443 174.900 -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 -0.120 120.346 120.500 -0.057 0.000 2.347 161 R HA 0.428 4.767 4.340 -0.002 0.000 0.304 161 R C 1.076 177.385 176.300 0.015 0.000 1.072 161 R CA 0.815 56.901 56.100 -0.025 0.000 0.980 161 R CB 0.920 31.198 30.300 -0.037 0.000 0.986 161 R HN 1.132 nan 8.270 nan 0.000 0.448 162 G N 1.710 110.523 108.800 0.022 0.000 2.238 162 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.217 162 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.217 162 G C 0.240 175.143 174.900 0.006 0.000 0.996 162 G CA -0.055 45.058 45.100 0.022 0.000 0.632 162 G HN 0.591 nan 8.290 nan 0.000 0.503 163 Q N 0.307 120.105 119.800 -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 -0.158 55.639 55.803 -0.010 0.000 0.901 163 Q CB 0.320 29.048 28.738 -0.018 0.000 1.259 163 Q HN 0.310 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 -1.470 174.810 176.300 -0.034 0.000 1.104 164 R CA -0.473 55.615 56.100 -0.019 0.000 0.991 164 R CB 1.318 31.610 30.300 -0.015 0.000 1.140 164 R HN 0.457 nan 8.270 nan 0.000 0.540 165 E N 2.557 122.730 120.200 -0.045 0.000 2.145 165 E HA 0.316 4.665 4.350 -0.002 0.000 0.270 165 E C -1.264 175.285 176.600 -0.084 0.000 0.906 165 E CA -0.861 55.502 56.400 -0.061 0.000 0.761 165 E CB 0.968 30.635 29.700 -0.055 0.000 1.116 165 E HN 0.388 nan 8.360 nan 0.000 0.408 166 L N 5.289 126.443 121.223 -0.116 0.000 2.350 166 L HA 0.501 4.840 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 -0.130 54.624 54.840 -0.144 0.000 0.808 166 L CB 0.687 42.645 42.059 -0.169 0.000 1.149 166 L HN 0.651 nan 8.230 nan 0.000 0.442 167 I N 6.612 127.093 120.570 -0.148 0.000 2.312 167 I HA 0.397 4.566 4.170 -0.002 0.000 0.290 167 I C -0.317 175.705 176.117 -0.159 0.000 1.008 167 I CA -0.109 61.104 61.300 -0.145 0.000 1.226 167 I CB 1.260 39.207 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.279 125.721 120.570 -0.213 0.000 2.730 168 I HA 0.928 5.097 4.170 -0.002 0.000 0.298 168 I C -0.229 175.856 176.117 -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 39.909 38.000 -0.247 0.000 1.235 168 I HN 0.679 nan 8.210 nan 0.000 0.423 169 G N 4.746 113.547 108.800 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 44.416 45.100 0.041 0.000 0.821 169 G HN 0.509 nan 8.290 nan 0.000 0.536 170 D N 0.034 120.447 120.400 0.022 0.000 2.414 170 D HA 0.340 4.979 4.640 -0.002 0.000 0.259 170 D C 1.132 177.422 176.300 -0.016 0.000 1.269 170 D CA -0.157 53.851 54.000 0.013 0.000 1.028 170 D CB 0.408 41.221 40.800 0.021 0.000 1.093 170 D HN 0.670 nan 8.370 nan 0.000 0.545 171 R N 0.106 120.600 120.500 -0.011 0.000 2.734 171 R HA 0.032 4.371 4.340 -0.002 0.000 0.266 171 R C -0.101 176.157 176.300 -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 0.253 120.000 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.177 4.340 -0.002 0.000 0.332 172 Q C -0.089 175.699 176.000 -0.353 0.000 1.355 172 Q CA 1.660 57.360 55.803 -0.171 0.000 0.947 172 Q CB -1.405 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 -4.986 109.385 114.554 -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 -0.282 0.000 1.021 173 T CA 0.518 62.384 62.100 -0.391 0.000 0.957 173 T CB 1.188 69.958 68.868 -0.164 0.000 1.047 173 T HN 0.651 nan 8.240 nan 0.000 0.511 174 G N 1.682 110.377 108.800 -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 0.123 45.194 45.100 -0.048 0.000 0.677 174 G HN 0.416 nan 8.290 nan 0.000 0.498 175 K N 0.099 120.476 120.400 -0.038 0.000 2.001 175 K HA -0.089 4.230 4.320 -0.002 0.000 0.214 175 K C 2.534 179.131 176.600 -0.005 0.000 1.050 175 K CA 2.141 58.413 56.287 -0.026 0.000 0.934 175 K CB -0.422 32.059 32.500 -0.031 0.000 0.718 175 K HN 0.286 nan 8.250 nan 0.000 0.443 176 T N 0.903 115.467 114.554 0.016 0.000 2.833 176 T HA -0.098 4.251 4.350 -0.002 0.000 0.269 176 T C 2.050 176.767 174.700 0.028 0.000 1.054 176 T CA 1.406 63.545 62.100 0.064 0.000 1.135 176 T CB -0.186 68.742 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.486 117.177 115.700 -0.015 0.000 2.359 177 S HA -0.085 4.384 4.470 -0.002 0.000 0.224 177 S C 2.038 176.598 174.600 -0.065 0.000 1.035 177 S CA 0.831 58.987 58.200 -0.073 0.000 1.018 177 S CB -0.395 62.743 63.200 -0.103 0.000 0.876 177 S HN 0.318 nan 8.310 nan 0.000 0.448 178 I N 2.397 122.945 120.570 -0.036 0.000 2.113 178 I HA -0.257 3.912 4.170 -0.002 0.000 0.242 178 I C 2.765 178.875 176.117 -0.011 0.000 1.064 178 I CA 1.579 62.863 61.300 -0.027 0.000 1.320 178 I CB -1.980 36.007 38.000 -0.021 0.000 1.028 178 I HN 0.258 nan 8.210 nan 0.000 0.406 179 A N 1.308 124.137 122.820 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 1.674 53.739 52.037 0.047 0.000 0.623 179 A CB -0.740 18.327 19.000 0.112 0.000 0.826 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.445 121.032 120.570 0.028 0.000 2.091 180 I HA -0.251 3.918 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 2.060 63.361 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 0.594 120.972 120.400 -0.037 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 1.784 55.769 54.000 -0.026 0.000 0.849 181 D CB -0.351 40.411 40.800 -0.063 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.625 115.192 114.554 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 0.831 62.954 62.100 0.038 0.000 1.148 182 T CB -0.279 68.603 68.868 0.022 0.000 0.863 182 T HN 0.181 nan 8.240 nan 0.000 0.436 183 I N 0.887 121.510 120.570 0.089 0.000 2.142 183 I HA -0.168 4.001 4.170 -0.002 0.000 0.240 183 I C 2.344 178.602 176.117 0.236 0.000 1.078 183 I CA 1.046 62.441 61.300 0.157 0.000 1.343 183 I CB -0.512 37.549 38.000 0.101 0.000 1.046 183 I HN 0.194 nan 8.210 nan 0.000 0.405 184 I N 1.104 121.761 120.570 0.145 0.000 2.113 184 I HA -0.376 3.793 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 2.048 63.441 61.300 0.155 0.000 1.320 184 I CB -1.725 36.335 38.000 0.100 0.000 1.028 184 I HN 0.383 nan 8.210 nan 0.000 0.406 185 N N 0.979 119.740 118.700 0.101 0.000 2.184 185 N HA -0.242 4.497 4.740 -0.002 0.000 0.190 185 N C 1.593 177.123 175.510 0.033 0.000 1.011 185 N CA 1.274 54.357 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 0.114 119.953 119.800 0.065 0.000 2.541 186 Q HA -0.056 4.283 4.340 -0.002 0.000 0.215 186 Q C 1.490 177.283 176.000 -0.344 0.000 0.977 186 Q CA 0.507 56.295 55.803 -0.023 0.000 0.934 186 Q CB -0.128 28.488 28.738 -0.202 0.000 0.988 186 Q HN 0.535 nan 8.270 nan 0.000 0.521 187 K N 1.149 121.401 120.400 -0.247 0.000 2.155 187 K HA -0.082 4.237 4.320 -0.002 0.000 0.203 187 K C 1.737 178.163 176.600 -0.289 0.000 1.052 187 K CA 0.547 56.708 56.287 -0.210 0.000 0.948 187 K CB 0.207 32.751 32.500 0.072 0.000 0.728 187 K HN 0.151 nan 8.250 nan 0.000 0.448 188 R N -0.417 119.804 120.500 -0.465 0.000 2.117 188 R HA -0.156 4.183 4.340 -0.002 0.000 0.243 188 R C 1.874 177.761 176.300 -0.689 0.000 1.143 188 R CA 1.762 57.470 56.100 -0.653 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 0.286 120.131 119.950 -0.174 0.000 2.530 189 F HA 0.184 4.711 4.527 -0.001 0.000 0.292 189 F C 1.741 177.415 175.800 -0.211 0.000 1.109 189 F CA -0.034 57.860 58.000 -0.178 0.000 1.450 189 F CB -0.276 38.606 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.243 118.842 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.643 4.740 -0.002 0.000 0.182 190 N C 0.748 176.205 175.510 -0.090 0.000 1.076 190 N CA 0.888 53.809 53.050 -0.216 0.000 0.908 190 N CB -0.221 37.965 38.487 -0.501 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.503 119.847 120.400 -0.084 0.000 2.360 191 D HA 0.107 4.746 4.640 -0.002 0.000 0.210 191 D C 1.087 177.369 176.300 -0.030 0.000 1.047 191 D CA 0.122 54.100 54.000 -0.037 0.000 0.854 191 D CB 0.235 41.009 40.800 -0.043 0.000 0.936 191 D HN 0.089 nan 8.370 nan 0.000 0.514 192 G N -0.157 108.621 108.800 -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 1.060 175.966 174.900 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 -1.250 113.313 114.554 0.015 0.000 3.010 193 T HA 0.021 4.370 4.350 -0.002 0.000 0.252 193 T C 0.876 175.594 174.700 0.029 0.000 1.047 193 T CA 0.446 62.560 62.100 0.022 0.000 1.140 193 T CB -0.031 68.847 68.868 0.016 0.000 0.885 193 T HN 0.449 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 0.613 176.933 176.300 0.033 0.000 1.298 194 D CA 0.111 54.128 54.000 0.028 0.000 0.938 194 D CB 0.596 41.412 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 -0.039 4.310 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 0.461 56.903 56.400 0.069 0.000 0.871 195 E CB 0.321 30.075 29.700 0.090 0.000 0.863 195 E HN 0.336 nan 8.360 nan 0.000 0.520 196 K N -0.307 120.124 120.400 0.052 0.000 2.387 196 K HA 0.136 4.455 4.320 -0.002 0.000 0.198 196 K C 1.011 177.569 176.600 -0.070 0.000 1.022 196 K CA 0.198 56.523 56.287 0.062 0.000 1.128 196 K CB 0.523 33.055 32.500 0.054 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 0.129 4.448 4.320 -0.002 0.000 0.275 198 K C -0.549 175.851 176.600 -0.334 0.000 1.009 198 K CA -0.136 56.010 56.287 -0.235 0.000 0.970 198 K CB 0.595 32.955 32.500 -0.233 0.000 0.934 198 K HN -0.155 nan 8.250 nan 0.000 0.479 199 L N 3.951 124.887 121.223 -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 -0.540 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 -0.255 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.115 123.280 120.300 -0.224 0.000 2.411 200 Y HA 0.343 4.892 4.550 -0.002 0.000 0.333 200 Y C 0.717 176.517 175.900 -0.167 0.000 1.186 200 Y CA 0.119 58.046 58.100 -0.288 0.000 1.381 200 Y CB 0.666 38.570 38.460 -0.926 0.000 1.273 200 Y HN 0.508 nan 8.280 nan 0.000 0.546 201 C N 4.336 123.704 119.300 0.113 0.000 2.391 201 C HA 0.700 5.159 4.460 -0.002 0.000 0.339 201 C C -0.137 174.891 174.990 0.062 0.000 1.205 201 C CA -0.961 58.108 59.018 0.084 0.000 1.937 201 C CB 0.133 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 2.354 122.942 120.570 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 -0.259 61.058 61.300 0.029 0.000 1.083 202 I CB 1.040 39.042 38.000 0.004 0.000 1.245 202 I HN 0.618 nan 8.210 nan 0.000 0.434 203 Y N 6.934 127.197 120.300 -0.061 0.000 2.328 203 Y HA 0.702 5.251 4.550 -0.001 0.000 0.333 203 Y C -0.997 174.872 175.900 -0.051 0.000 0.958 203 Y CA -0.854 57.203 58.100 -0.071 0.000 1.167 203 Y CB 1.244 39.676 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.885 125.534 119.914 -0.440 0.000 2.394 204 V HA 0.728 4.848 4.120 -0.002 0.000 0.282 204 V C -0.103 175.765 176.094 -0.377 0.000 1.031 204 V CA -0.635 61.517 62.300 -0.247 0.000 0.881 204 V CB 0.977 32.741 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.949 129.709 122.820 -0.099 0.000 2.267 205 A HA 0.860 5.180 4.320 -0.002 0.000 0.315 205 A C -0.605 176.982 177.584 0.004 0.000 1.297 205 A CA -0.414 51.620 52.037 -0.005 0.000 0.865 205 A CB 0.232 19.353 19.000 0.202 0.000 1.165 205 A HN 0.803 nan 8.150 nan 0.000 0.513 206 I N 2.061 122.622 120.570 -0.015 0.000 2.389 206 I HA 0.569 4.738 4.170 -0.002 0.000 0.288 206 I C 1.170 177.296 176.117 0.015 0.000 0.999 206 I CA -0.100 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 0.940 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 0.282 175.202 174.900 0.033 0.000 0.975 207 G CA -0.127 44.991 45.100 0.030 0.000 0.642 207 G HN 0.640 nan 8.290 nan 0.000 0.536 208 Q N 0.364 120.188 119.800 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 0.252 56.084 55.803 0.048 0.000 0.924 208 Q CB 0.477 29.259 28.738 0.072 0.000 1.256 208 Q HN 0.650 nan 8.270 nan 0.000 0.519 209 K N 0.504 120.926 120.400 0.037 0.000 2.118 209 K HA 0.236 4.555 4.320 -0.002 0.000 0.264 209 K C 0.348 176.967 176.600 0.031 0.000 1.000 209 K CA -0.552 55.754 56.287 0.030 0.000 0.929 209 K CB 1.065 33.580 32.500 0.025 0.000 1.021 209 K HN 0.419 nan 8.250 nan 0.000 0.463 210 R N 0.917 121.433 120.500 0.026 0.000 2.127 210 R HA -0.126 4.213 4.340 -0.002 0.000 0.238 210 R C 1.932 178.243 176.300 0.019 0.000 1.134 210 R CA 1.825 57.939 56.100 0.024 0.000 0.975 210 R CB -0.506 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 0.443 116.153 115.700 0.017 0.000 2.399 211 S HA -0.118 4.351 4.470 -0.002 0.000 0.231 211 S C 1.916 176.523 174.600 0.011 0.000 1.022 211 S CA 1.713 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 2.450 117.015 114.554 0.019 0.000 2.777 212 T HA -0.024 4.325 4.350 -0.002 0.000 0.266 212 T C 1.996 176.702 174.700 0.010 0.000 1.040 212 T CA 1.305 63.418 62.100 0.021 0.000 1.141 212 T CB -0.453 68.437 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.844 121.770 119.914 0.020 0.000 2.307 213 V HA -0.119 4.000 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 1.547 63.852 62.300 0.008 0.000 1.024 213 V CB -1.339 30.511 31.823 0.046 0.000 0.651 213 V HN 0.505 nan 8.190 nan 0.000 0.449 214 A N -0.556 122.259 122.820 -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 1.907 53.934 52.037 -0.017 0.000 0.631 214 A CB -0.528 18.467 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 1.018 56.802 55.803 -0.031 0.000 0.850 215 Q CB -0.515 28.215 28.738 -0.014 0.000 0.901 215 Q HN 0.622 nan 8.270 nan 0.000 0.429 216 L N 1.149 122.333 121.223 -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 1.972 56.739 54.840 -0.123 0.000 0.746 216 L CB -1.206 40.734 42.059 -0.198 0.000 0.890 216 L HN 0.187 nan 8.230 nan 0.000 0.432 217 V N -1.603 118.242 119.914 -0.116 0.000 2.469 217 V HA -0.259 3.860 4.120 -0.002 0.000 0.251 217 V C 2.663 178.706 176.094 -0.086 0.000 1.064 217 V CA 2.037 64.276 62.300 -0.102 0.000 1.066 217 V CB -0.993 30.788 31.823 -0.070 0.000 0.667 217 V HN 0.472 nan 8.190 nan 0.000 0.461 218 K N 0.617 120.974 120.400 -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 2.139 58.385 56.287 -0.069 0.000 0.932 218 K CB -0.332 32.132 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 2.290 178.542 176.300 -0.079 0.000 1.142 219 R CA 1.473 57.511 56.100 -0.104 0.000 0.960 219 R CB -0.692 29.564 30.300 -0.075 0.000 0.858 219 R HN 0.314 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 -0.126 4.213 4.340 -0.002 0.000 0.208 220 L C 2.137 178.943 176.870 -0.107 0.000 1.085 220 L CA 1.727 56.506 54.840 -0.103 0.000 0.755 220 L CB -0.537 41.436 42.059 -0.143 0.000 0.904 220 L HN 0.262 nan 8.230 nan 0.000 0.435 221 T N -0.997 113.500 114.554 -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 1.486 63.538 62.100 -0.080 0.000 1.146 221 T CB -0.286 68.543 68.868 -0.064 0.000 0.865 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 D N 1.447 121.806 120.400 -0.069 0.000 2.228 222 D HA -0.034 4.605 4.640 -0.002 0.000 0.203 222 D C 1.795 178.064 176.300 -0.053 0.000 0.988 222 D CA 1.013 54.975 54.000 -0.064 0.000 0.864 222 D CB -0.223 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 -0.111 122.678 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.441 4.320 -0.002 0.000 0.224 223 A C 0.336 177.907 177.584 -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 -0.182 4.458 4.640 -0.002 0.000 0.239 224 D C 0.592 176.837 176.300 -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 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.180 122.494 122.820 -0.244 0.000 2.419 225 A HA 0.196 4.515 4.320 -0.002 0.000 0.233 225 A C 1.984 179.107 177.584 -0.768 0.000 1.217 225 A CA 0.089 51.712 52.037 -0.689 0.000 0.944 225 A CB 0.113 18.839 19.000 -0.458 0.000 1.025 225 A HN 0.280 nan 8.150 nan 0.000 0.524 226 M N 1.228 120.612 119.600 -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 1.669 56.825 55.300 -0.239 0.000 1.109 226 M CB -0.896 31.627 32.600 -0.129 0.000 1.396 226 M HN 0.686 nan 8.290 nan 0.000 0.430 227 K N 0.609 120.910 120.400 -0.165 0.000 2.074 227 K HA -0.197 4.122 4.320 -0.002 0.000 0.209 227 K C 1.134 177.783 176.600 0.081 0.000 1.048 227 K CA 1.926 58.208 56.287 -0.008 0.000 0.926 227 K CB -0.977 31.563 32.500 0.068 0.000 0.713 227 K HN 0.503 nan 8.250 nan 0.000 0.444 228 Y N 0.602 120.946 120.300 0.073 0.000 2.625 228 Y HA 0.465 5.014 4.550 -0.002 0.000 0.285 228 Y C -0.379 175.575 175.900 0.091 0.000 1.168 228 Y CA -0.935 57.235 58.100 0.116 0.000 1.250 228 Y CB 0.063 38.541 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.015 116.545 114.554 -0.041 0.000 2.893 229 T HA 0.627 4.976 4.350 -0.002 0.000 0.291 229 T C -0.661 174.058 174.700 0.031 0.000 1.028 229 T CA -0.528 61.565 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 0.549 4.718 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 -1.088 60.254 61.300 0.071 0.000 1.113 230 I CB 2.082 40.140 38.000 0.097 0.000 1.289 230 I HN 0.228 nan 8.210 nan 0.000 0.436 231 V N 6.682 126.635 119.914 0.066 0.000 2.378 231 V HA 0.332 4.451 4.120 -0.002 0.000 0.288 231 V C -0.137 176.009 176.094 0.087 0.000 1.016 231 V CA -0.679 61.681 62.300 0.100 0.000 0.840 231 V CB 1.782 33.654 31.823 0.081 0.000 0.994 231 V HN 0.390 nan 8.190 nan 0.000 0.431 232 V N 3.918 123.884 119.914 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 -0.106 62.229 62.300 0.059 0.000 0.900 232 V CB 1.673 33.521 31.823 0.042 0.000 0.983 232 V HN 0.829 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 -0.258 174.368 174.600 0.044 0.000 1.114 233 S CA -0.240 57.996 58.200 0.061 0.000 1.063 233 S CB 1.049 64.290 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 0.532 178.132 177.584 0.028 0.000 1.396 234 A CA -0.610 51.442 52.037 0.026 0.000 0.887 234 A CB -0.154 18.854 19.000 0.015 0.000 1.145 234 A HN 0.855 nan 8.150 nan 0.000 0.497 235 T N -1.235 113.337 114.554 0.031 0.000 2.824 235 T HA 0.552 4.901 4.350 -0.002 0.000 0.277 235 T C 1.622 176.337 174.700 0.025 0.000 0.975 235 T CA 0.017 62.136 62.100 0.031 0.000 0.966 235 T CB 1.111 69.999 68.868 0.034 0.000 1.054 235 T HN 1.156 nan 8.240 nan 0.000 0.533 236 A N 1.316 124.151 122.820 0.026 0.000 1.929 236 A HA -0.188 4.131 4.320 -0.002 0.000 0.221 236 A C 2.458 180.052 177.584 0.017 0.000 1.211 236 A CA 2.890 54.940 52.037 0.022 0.000 0.657 236 A CB -1.664 17.350 19.000 0.022 0.000 0.827 236 A HN 1.374 nan 8.150 nan 0.000 0.462 237 S N -0.968 114.742 115.700 0.016 0.000 2.593 237 S HA 0.109 4.578 4.470 -0.002 0.000 0.217 237 S C -0.148 174.458 174.600 0.011 0.000 0.966 237 S CA -0.058 58.149 58.200 0.013 0.000 0.914 237 S CB -0.236 62.972 63.200 0.013 0.000 0.776 237 S HN 0.420 nan 8.310 nan 0.000 0.523 238 D N 2.809 123.216 120.400 0.011 0.000 2.256 238 D HA 0.550 5.189 4.640 -0.002 0.000 0.250 238 D C 0.394 176.688 176.300 -0.009 0.000 1.093 238 D CA 0.033 54.037 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 1.868 124.675 122.820 -0.022 0.000 2.613 239 A HA 0.194 4.514 4.320 -0.002 0.000 0.230 239 A C 1.570 179.118 177.584 -0.062 0.000 1.051 239 A CA 0.604 52.615 52.037 -0.044 0.000 0.754 239 A CB 0.073 19.037 19.000 -0.061 0.000 0.979 239 A HN 0.684 nan 8.150 nan 0.000 0.510 240 A N 3.694 126.487 122.820 -0.045 0.000 1.896 240 A HA -0.160 4.159 4.320 -0.002 0.000 0.220 240 A C 0.220 177.798 177.584 -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 17.096 19.000 -0.019 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 1.456 178.653 177.300 -0.171 0.000 1.150 241 P CA 1.229 64.253 63.100 -0.127 0.000 0.843 241 P CB -0.260 31.148 31.700 -0.488 0.000 0.787 242 L N -0.729 120.323 121.223 -0.284 0.000 2.072 242 L HA -0.135 4.204 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 1.431 56.182 54.840 -0.149 0.000 0.752 242 L CB -1.243 40.756 42.059 -0.100 0.000 0.906 242 L HN -0.055 nan 8.230 nan 0.000 0.436 243 Q N -0.883 118.918 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.092 4.340 -0.002 0.000 0.202 243 Q C 2.142 178.193 176.000 0.084 0.000 0.977 243 Q CA 1.832 57.658 55.803 0.038 0.000 0.850 243 Q CB -0.426 28.340 28.738 0.047 0.000 0.901 243 Q HN 0.524 nan 8.270 nan 0.000 0.429 244 Y N 1.547 121.852 120.300 0.008 0.000 2.089 244 Y HA -0.225 4.323 4.550 -0.002 0.000 0.282 244 Y C 1.838 177.803 175.900 0.109 0.000 1.139 244 Y CA 1.395 59.537 58.100 0.069 0.000 1.123 244 Y CB -0.588 37.934 38.460 0.103 0.000 0.980 244 Y HN -0.031 nan 8.280 nan 0.000 0.493 245 L N 0.218 121.252 121.223 -0.316 0.000 2.017 245 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 245 L C 2.875 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.246 55.924 54.840 -0.270 0.000 0.745 245 L CB -1.234 40.766 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.806 123.591 122.820 -0.059 0.000 1.920 246 A HA -0.276 4.043 4.320 -0.002 0.000 0.229 246 A C -0.068 177.483 177.584 -0.056 0.000 1.516 246 A CA 2.905 54.922 52.037 -0.034 0.000 0.714 246 A CB -2.372 16.617 19.000 -0.018 0.000 0.845 246 A HN 0.371 nan 8.150 nan 0.000 0.493 247 P HA -0.131 nan 4.420 nan 0.000 0.218 247 P C 1.000 178.139 177.300 -0.267 0.000 1.149 247 P CA 1.507 64.468 63.100 -0.231 0.000 0.817 247 P CB -0.273 31.032 31.700 -0.659 0.000 0.785 248 Y N 1.205 121.431 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.434 4.550 -0.001 0.000 0.292 248 Y C 2.972 178.854 175.900 -0.030 0.000 1.123 248 Y CA 1.727 59.766 58.100 -0.101 0.000 1.142 248 Y CB -1.526 36.826 38.460 -0.180 0.000 1.006 248 Y HN 0.039 nan 8.280 nan 0.000 0.518 249 S N -0.533 115.235 115.700 0.114 0.000 2.419 249 S HA -0.124 4.345 4.470 -0.002 0.000 0.233 249 S C 2.248 176.893 174.600 0.074 0.000 1.016 249 S CA 1.156 59.404 58.200 0.081 0.000 0.974 249 S CB -1.106 62.132 63.200 0.064 0.000 0.786 249 S HN 0.453 nan 8.310 nan 0.000 0.492 250 G N 0.065 108.909 108.800 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 1.639 176.597 174.900 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 0.513 119.891 119.300 0.130 0.000 2.432 251 C HA -0.032 4.427 4.460 -0.002 0.000 0.277 251 C C 3.260 178.323 174.990 0.120 0.000 1.249 251 C CA 1.718 60.821 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 0.325 116.089 115.700 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 2.291 60.546 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 2.237 178.683 176.300 0.242 0.000 1.071 253 M CA 1.693 57.059 55.300 0.110 0.000 1.093 253 M CB -0.640 32.023 32.600 0.104 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.961 107.985 108.800 0.243 0.000 2.572 254 G HA2 -0.104 3.855 3.960 -0.002 0.000 0.216 254 G HA3 -0.104 3.855 3.960 -0.002 0.000 0.216 254 G C 1.272 176.355 174.900 0.304 0.000 1.133 254 G CA 0.251 45.555 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 -0.112 4.237 4.350 -0.002 0.000 0.191 255 E C 1.920 178.584 176.600 0.106 0.000 0.982 255 E CA 0.582 57.059 56.400 0.128 0.000 0.809 255 E CB -0.227 29.524 29.700 0.084 0.000 0.756 255 E HN 0.565 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 -0.309 4.240 4.550 -0.002 0.000 0.284 256 Y C 1.673 177.440 175.900 -0.222 0.000 1.166 256 Y CA 1.636 59.623 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 0.345 120.345 119.950 0.084 0.000 2.084 257 F HA -0.098 4.428 4.527 -0.002 0.000 0.296 257 F C 2.840 178.574 175.800 -0.111 0.000 1.111 257 F CA 1.908 59.880 58.000 -0.047 0.000 1.224 257 F CB -0.994 38.076 39.000 0.117 0.000 0.991 257 F HN -0.093 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 1.783 178.056 176.300 -0.044 0.000 1.131 258 R CA 2.490 58.607 56.100 0.027 0.000 0.937 258 R CB -0.757 29.567 30.300 0.039 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.435 259 D N 0.323 120.689 120.400 -0.056 0.000 2.182 259 D HA -0.118 4.521 4.640 -0.002 0.000 0.201 259 D C 0.486 176.722 176.300 -0.107 0.000 0.986 259 D CA 1.089 55.051 54.000 -0.065 0.000 0.847 259 D CB -0.379 40.380 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 0.920 176.353 175.510 -0.129 0.000 1.204 260 N CA 0.367 53.289 53.050 -0.214 0.000 0.947 260 N CB 0.508 38.746 38.487 -0.415 0.000 1.258 260 N HN 0.106 nan 8.380 nan 0.000 0.508 261 G N -0.256 108.484 108.800 -0.100 0.000 2.186 261 G HA2 -0.365 3.595 3.960 -0.002 0.000 0.266 261 G HA3 -0.365 3.595 3.960 -0.002 0.000 0.266 261 G C 0.288 175.106 174.900 -0.136 0.000 0.982 261 G CA 0.564 45.606 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N -0.002 120.336 120.400 -0.103 0.000 2.139 262 K HA 0.573 4.892 4.320 -0.002 0.000 0.243 262 K C -0.086 176.415 176.600 -0.165 0.000 0.983 262 K CA -0.867 55.430 56.287 0.018 0.000 0.890 262 K CB 0.772 33.456 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.058 119.117 119.070 0.174 0.000 2.457 263 H HA 0.544 5.099 4.556 -0.002 0.000 0.335 263 H C -0.864 174.504 175.328 0.067 0.000 1.115 263 H CA -0.647 55.448 56.048 0.077 0.000 1.219 263 H CB 1.941 31.686 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.029 125.931 122.820 0.136 0.000 2.486 264 A HA 0.441 4.760 4.320 -0.002 0.000 0.300 264 A C -1.518 176.077 177.584 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 2.396 123.604 121.223 -0.024 0.000 2.322 265 L HA 0.827 5.166 4.340 -0.002 0.000 0.281 265 L C -0.851 175.974 176.870 -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 4.981 125.460 120.570 -0.151 0.000 2.533 266 I HA 0.525 4.694 4.170 -0.002 0.000 0.290 266 I C -1.460 174.393 176.117 -0.441 0.000 1.056 266 I CA -0.602 60.517 61.300 -0.302 0.000 1.057 266 I CB 1.695 39.451 38.000 -0.406 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.062 128.369 120.570 -0.438 0.000 2.362 267 I HA 0.288 4.457 4.170 -0.002 0.000 0.289 267 I C -1.168 174.587 176.117 -0.603 0.000 0.994 267 I CA -0.212 60.835 61.300 -0.423 0.000 1.158 267 I CB 1.163 39.044 38.000 -0.199 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.145 124.281 120.300 -0.273 0.000 2.434 268 Y HA 0.427 4.976 4.550 -0.001 0.000 0.341 268 Y C -0.023 175.690 175.900 -0.310 0.000 0.965 268 Y CA -0.799 57.120 58.100 -0.302 0.000 1.205 268 Y CB 0.660 38.957 38.460 -0.271 0.000 1.121 268 Y HN 0.403 nan 8.280 nan 0.000 0.507 269 D N 3.501 123.749 120.400 -0.253 0.000 2.454 269 D HA 0.254 4.893 4.640 -0.002 0.000 0.247 269 D C -1.213 175.026 176.300 -0.101 0.000 1.129 269 D CA -0.437 53.450 54.000 -0.189 0.000 0.877 269 D CB 0.700 41.329 40.800 -0.286 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.665 122.027 120.400 -0.062 0.000 2.414 270 D HA 0.323 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 -0.068 0.000 1.001 270 D CB 1.960 42.734 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.288 121.420 121.223 -0.153 0.000 2.446 271 L HA -0.000 4.339 4.340 -0.002 0.000 0.219 271 L C 1.752 178.555 176.870 -0.112 0.000 1.116 271 L CA 0.428 55.113 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 0.287 115.950 115.700 -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 1.226 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 1.134 121.558 120.400 0.040 0.000 2.097 273 K HA -0.114 4.205 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 0.992 57.316 56.287 0.061 0.000 0.933 273 K CB -0.178 32.344 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.906 120.750 119.800 0.073 0.000 2.119 274 Q HA -0.135 4.205 4.340 -0.002 0.000 0.201 274 Q C 2.067 178.188 176.000 0.201 0.000 0.972 274 Q CA 1.323 57.196 55.803 0.117 0.000 0.847 274 Q CB -0.059 28.713 28.738 0.057 0.000 0.903 274 Q HN 0.312 nan 8.270 nan 0.000 0.433 275 A N 0.249 123.195 122.820 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 1.658 53.838 52.037 0.238 0.000 0.627 275 A CB -0.831 18.241 19.000 0.119 0.000 0.818 275 A HN 0.297 nan 8.150 nan 0.000 0.445 276 V N -0.178 119.909 119.914 0.289 0.000 2.343 276 V HA -0.271 3.848 4.120 -0.002 0.000 0.247 276 V C 3.059 179.239 176.094 0.142 0.000 1.051 276 V CA 1.978 64.405 62.300 0.212 0.000 1.036 276 V CB -1.259 30.646 31.823 0.138 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.912 121.997 122.820 0.149 0.000 1.883 277 A HA -0.289 4.030 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 2.241 54.349 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 0.447 120.771 120.300 0.041 0.000 2.145 278 Y HA -0.208 4.341 4.550 -0.002 0.000 0.286 278 Y C 2.554 178.440 175.900 -0.024 0.000 1.145 278 Y CA 2.084 60.154 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 0.340 120.860 120.500 0.035 0.000 2.083 279 R HA -0.286 4.053 4.340 -0.002 0.000 0.237 279 R C 2.443 178.639 176.300 -0.173 0.000 1.137 279 R CA 2.119 58.163 56.100 -0.093 0.000 0.951 279 R CB -0.544 29.679 30.300 -0.129 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.105 119.838 119.800 -0.111 0.000 2.112 280 Q HA -0.214 4.125 4.340 -0.002 0.000 0.206 280 Q C 2.037 177.955 176.000 -0.137 0.000 0.987 280 Q CA 2.297 58.037 55.803 -0.104 0.000 0.858 280 Q CB -0.044 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 -0.442 119.044 119.600 -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 0.051 32.508 32.600 -0.239 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.523 116.985 115.700 -0.397 0.000 2.351 282 S HA -0.134 4.335 4.470 -0.002 0.000 0.220 282 S C 1.921 176.407 174.600 -0.189 0.000 1.035 282 S CA 1.372 59.359 58.200 -0.354 0.000 1.031 282 S CB -0.688 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 0.890 122.015 121.223 -0.162 0.000 2.083 283 L HA -0.053 4.286 4.340 -0.002 0.000 0.209 283 L C 2.233 179.053 176.870 -0.084 0.000 1.083 283 L CA 0.937 55.714 54.840 -0.106 0.000 0.752 283 L CB -0.536 41.462 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.707 120.462 121.223 -0.089 0.000 2.291 284 L HA -0.150 4.189 4.340 -0.002 0.000 0.214 284 L C 2.014 178.853 176.870 -0.051 0.000 1.120 284 L CA 0.724 55.527 54.840 -0.061 0.000 0.799 284 L CB -0.158 41.867 42.059 -0.056 0.000 0.925 284 L HN 0.286 nan 8.230 nan 0.000 0.446 285 L N -0.872 120.312 121.223 -0.065 0.000 2.591 285 L HA 0.078 4.417 4.340 -0.002 0.000 0.228 285 L C 0.790 177.638 176.870 -0.036 0.000 1.133 285 L CA 0.090 54.904 54.840 -0.044 0.000 0.880 285 L CB -0.083 41.944 42.059 -0.054 0.000 1.033 285 L HN 0.211 nan 8.230 nan 0.000 0.450 286 R N -0.088 120.385 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.197 4.340 -0.002 0.000 0.312 286 R C -0.007 176.274 176.300 -0.032 0.000 1.181 286 R CA 0.368 56.447 56.100 -0.035 0.000 0.836 286 R CB -1.430 28.857 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.301 121.775 120.500 -0.044 0.000 2.679 287 R HA 0.190 4.529 4.340 -0.002 0.000 0.269 287 R C -1.939 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.376 54.707 56.100 -0.028 0.000 1.160 287 R CB 0.018 30.296 30.300 -0.037 0.000 1.054 287 R HN -0.069 nan 8.270 nan 0.000 0.507 288 P HA 0.089 nan 4.420 nan 0.000 0.267 288 P C -2.446 174.861 177.300 0.012 0.000 1.205 288 P CA -1.106 61.996 63.100 0.003 0.000 0.765 288 P CB 0.165 31.872 31.700 0.012 0.000 0.828 289 P HA 0.348 nan 4.420 nan 0.000 0.294 289 P C 0.026 177.343 177.300 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 33.380 31.700 -0.018 0.000 0.992 290 G N 2.009 110.847 108.800 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 -1.038 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 0.330 120.788 120.500 -0.070 0.000 2.500 291 R HA -0.038 4.301 4.340 -0.002 0.000 0.281 291 R C 0.226 176.574 176.300 0.080 0.000 0.953 291 R CA 1.371 57.410 56.100 -0.102 0.000 1.108 291 R CB -0.221 29.855 30.300 -0.372 0.000 0.901 291 R HN 0.789 nan 8.270 nan 0.000 0.410 292 E N 1.926 122.180 120.200 0.089 0.000 3.170 292 E HA -0.338 4.012 4.350 -0.002 0.000 0.284 292 E C 0.316 176.877 176.600 -0.064 0.000 0.967 292 E CA 0.546 57.022 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 -2.013 120.779 122.820 -0.047 0.000 2.979 293 A HA -0.293 4.026 4.320 -0.002 0.000 0.260 293 A C -0.005 177.490 177.584 -0.148 0.000 1.282 293 A CA 1.721 53.689 52.037 -0.115 0.000 0.971 293 A CB -2.055 16.841 19.000 -0.174 0.000 1.124 293 A HN 0.406 nan 8.150 nan 0.000 0.826 294 Y N 0.828 121.225 120.300 0.162 0.000 2.309 294 Y HA 0.448 4.997 4.550 -0.002 0.000 0.327 294 Y C -1.282 174.728 175.900 0.182 0.000 1.172 294 Y CA -1.316 56.905 58.100 0.202 0.000 1.280 294 Y CB 0.420 39.102 38.460 0.370 0.000 1.234 294 Y HN 0.254 nan 8.280 nan 0.000 0.512 295 P HA 0.009 nan 4.420 nan 0.000 0.272 295 P C 0.637 178.104 177.300 0.277 0.000 1.223 295 P CA 0.102 63.325 63.100 0.205 0.000 0.784 295 P CB 0.930 32.709 31.700 0.133 0.000 0.923 296 G N 1.623 110.547 108.800 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 0.713 175.754 174.900 0.235 0.000 1.114 296 G CA 0.553 45.775 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 0.102 4.741 4.640 -0.002 0.000 0.229 297 D C 1.635 178.095 176.300 0.267 0.000 1.202 297 D CA -0.426 53.766 54.000 0.320 0.000 0.828 297 D CB 0.232 41.257 40.800 0.375 0.000 1.008 297 D HN 0.095 nan 8.370 nan 0.000 0.493 298 V N -0.201 119.841 119.914 0.214 0.000 2.548 298 V HA -0.083 4.036 4.120 -0.002 0.000 0.249 298 V C 1.765 177.754 176.094 -0.175 0.000 1.055 298 V CA 1.024 63.314 62.300 -0.017 0.000 1.065 298 V CB -0.716 31.100 31.823 -0.012 0.000 0.681 298 V HN 0.227 nan 8.190 nan 0.000 0.462 299 F N 0.033 119.926 119.950 -0.095 0.000 2.146 299 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 299 F C 2.137 177.945 175.800 0.013 0.000 1.096 299 F CA 2.248 60.211 58.000 -0.061 0.000 1.275 299 F CB -0.487 38.535 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.459 120.827 120.300 0.113 0.000 2.421 300 Y HA -0.122 4.429 4.550 0.001 0.000 0.292 300 Y C 1.889 177.725 175.900 -0.108 0.000 1.136 300 Y CA 1.242 59.368 58.100 0.044 0.000 1.255 300 Y CB -0.646 37.878 38.460 0.107 0.000 0.991 300 Y HN 0.228 nan 8.280 nan 0.000 0.552 301 L N -0.624 120.412 121.223 -0.311 0.000 2.109 301 L HA -0.141 4.198 4.340 -0.002 0.000 0.207 301 L C 2.101 178.811 176.870 -0.267 0.000 1.086 301 L CA 2.004 56.597 54.840 -0.411 0.000 0.760 301 L CB -0.572 41.132 42.059 -0.592 0.000 0.910 301 L HN 0.289 nan 8.230 nan 0.000 0.437 302 H N -1.963 116.913 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.543 4.556 -0.001 0.000 0.295 302 H C 2.366 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.790 56.613 56.048 -0.375 0.000 1.360 302 H CB 0.163 29.675 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.612 117.127 115.700 -0.309 0.000 2.368 303 S HA -0.224 4.245 4.470 -0.002 0.000 0.225 303 S C 2.048 176.594 174.600 -0.089 0.000 1.030 303 S CA 1.254 59.309 58.200 -0.243 0.000 0.999 303 S CB -0.307 62.754 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.645 121.091 120.500 -0.091 0.000 2.235 304 R HA 0.183 4.522 4.340 -0.002 0.000 0.213 304 R C 2.144 178.443 176.300 -0.002 0.000 1.059 304 R CA 0.973 57.042 56.100 -0.052 0.000 0.997 304 R CB -0.499 29.699 30.300 -0.169 0.000 0.884 304 R HN 0.473 nan 8.270 nan 0.000 0.462 305 L N 0.649 121.858 121.223 -0.024 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 1.292 56.081 54.840 -0.085 0.000 0.766 305 L CB -0.268 41.561 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.068 121.074 121.223 -0.136 0.000 2.456 306 L HA -0.060 4.279 4.340 -0.002 0.000 0.224 306 L C 2.157 179.010 176.870 -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 0.248 120.436 120.200 -0.021 0.000 2.250 307 E HA -0.043 4.306 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 0.358 56.758 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 0.792 121.301 120.500 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 1.056 123.894 122.820 0.029 0.000 2.309 309 A HA 0.730 5.049 4.320 -0.002 0.000 0.298 309 A C -0.265 177.327 177.584 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 1.778 124.605 122.820 0.011 0.000 2.567 310 A HA 0.638 4.957 4.320 -0.002 0.000 0.291 310 A C -1.065 176.524 177.584 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 1.781 122.187 120.400 0.011 0.000 2.253 311 K HA 0.591 4.910 4.320 -0.002 0.000 0.277 311 K C -0.102 176.507 176.600 0.015 0.000 1.053 311 K CA -0.307 55.997 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 2.414 122.023 119.600 0.015 0.000 2.163 312 M HA 0.182 4.661 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 -0.482 54.830 55.300 0.020 0.000 1.132 312 M CB 0.109 32.729 32.600 0.033 0.000 1.413 312 M HN 0.751 nan 8.290 nan 0.000 0.478 313 N N 0.150 118.931 118.700 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 0.831 121.280 120.400 0.082 0.000 2.172 314 D HA -0.254 4.385 4.640 -0.002 0.000 0.196 314 D C 1.484 177.795 176.300 0.019 0.000 0.999 314 D CA 1.987 56.016 54.000 0.047 0.000 0.856 314 D CB -0.353 40.463 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.131 122.959 122.820 0.014 0.000 2.024 315 A HA -0.162 4.157 4.320 -0.002 0.000 0.220 315 A C 1.648 179.069 177.584 -0.272 0.000 1.164 315 A CA 1.078 53.047 52.037 -0.113 0.000 0.643 315 A CB -0.594 18.349 19.000 -0.095 0.000 0.806 315 A HN 0.180 nan 8.150 nan 0.000 0.451 316 F N -2.132 117.809 119.950 -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 0.641 58.627 58.000 -0.023 0.000 1.272 316 F CB 0.953 39.942 39.000 -0.019 0.000 1.060 316 F HN 0.343 nan 8.300 nan 0.000 0.576 317 G N -0.787 108.066 108.800 0.089 0.000 2.229 317 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.189 317 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.189 317 G C 1.239 176.151 174.900 0.020 0.000 1.000 317 G CA -0.189 44.930 45.100 0.032 0.000 0.663 317 G HN 0.860 nan 8.290 nan 0.000 0.493 318 G N -0.210 108.621 108.800 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 1.424 176.312 174.900 -0.019 0.000 0.982 318 G CA 1.299 46.427 45.100 0.047 0.000 0.670 318 G HN 2.069 nan 8.290 nan 0.000 0.533 319 G N -0.418 108.314 108.800 -0.113 0.000 2.636 319 G HA2 0.639 4.598 3.960 -0.002 0.000 0.246 319 G HA3 0.639 4.598 3.960 -0.002 0.000 0.246 319 G C 0.353 175.136 174.900 -0.194 0.000 1.216 319 G CA 1.115 46.020 45.100 -0.324 0.000 0.854 319 G HN 1.741 nan 8.290 nan 0.000 0.572 320 S N -0.973 114.606 115.700 -0.202 0.000 2.661 320 S HA 0.699 5.168 4.470 -0.002 0.000 0.285 320 S C -1.389 173.253 174.600 0.070 0.000 1.138 320 S CA -0.847 57.383 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 1.040 nan 8.310 nan 0.000 0.484 321 L N 1.797 123.059 121.223 0.064 0.000 2.471 321 L HA 0.575 4.914 4.340 -0.002 0.000 0.263 321 L C -0.708 176.181 176.870 0.031 0.000 0.985 321 L CA 0.217 55.090 54.840 0.056 0.000 0.868 321 L CB 1.495 43.588 42.059 0.057 0.000 1.203 321 L HN 0.929 nan 8.230 nan 0.000 0.429 322 T N 3.438 118.000 114.554 0.013 0.000 2.882 322 T HA 0.835 5.184 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 -0.176 61.916 62.100 -0.013 0.000 1.076 322 T CB 1.450 70.302 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 0.744 5.063 4.320 -0.002 0.000 0.310 323 A C -0.804 176.737 177.584 -0.072 0.000 1.075 323 A CA -0.757 51.234 52.037 -0.076 0.000 0.746 323 A CB 0.808 19.814 19.000 0.010 0.000 1.221 323 A HN 0.837 nan 8.150 nan 0.000 0.443 324 L N 4.166 125.311 121.223 -0.130 0.000 2.337 324 L HA 0.390 4.729 4.340 -0.002 0.000 0.269 324 L C -2.473 174.342 176.870 -0.093 0.000 1.018 324 L CA -1.782 53.000 54.840 -0.098 0.000 0.876 324 L CB 1.839 43.844 42.059 -0.090 0.000 1.236 324 L HN 0.447 nan 8.230 nan 0.000 0.436 325 P HA 0.294 nan 4.420 nan 0.000 0.292 325 P C -0.722 176.536 177.300 -0.069 0.000 1.283 325 P CA -0.448 62.667 63.100 0.025 0.000 0.835 325 P CB 2.028 33.727 31.700 -0.002 0.000 1.017 326 V N 4.404 124.271 119.914 -0.078 0.000 2.483 326 V HA 0.440 4.559 4.120 -0.002 0.000 0.295 326 V C 0.232 176.263 176.094 -0.105 0.000 1.035 326 V CA -0.570 61.677 62.300 -0.090 0.000 0.896 326 V CB 1.661 33.442 31.823 -0.069 0.000 0.986 326 V HN 0.424 nan 8.190 nan 0.000 0.447 327 I N 3.249 123.759 120.570 -0.099 0.000 2.465 327 I HA 0.415 4.584 4.170 -0.002 0.000 0.291 327 I C 0.008 176.098 176.117 -0.046 0.000 1.014 327 I CA -0.387 60.861 61.300 -0.086 0.000 1.093 327 I CB 2.026 39.968 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.296 125.483 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.674 4.350 -0.002 0.000 0.282 328 E C -0.301 176.313 176.600 0.023 0.000 0.987 328 E CA -0.374 56.027 56.400 0.000 0.000 0.797 328 E CB 1.036 30.740 29.700 0.007 0.000 1.086 328 E HN 0.718 nan 8.360 nan 0.000 0.397 329 T N 1.921 116.496 114.554 0.035 0.000 2.824 329 T HA 0.279 4.628 4.350 -0.002 0.000 0.277 329 T C 0.045 174.777 174.700 0.055 0.000 0.975 329 T CA -0.842 61.292 62.100 0.057 0.000 0.966 329 T CB 1.333 70.251 68.868 0.082 0.000 1.054 329 T HN 0.372 nan 8.240 nan 0.000 0.533 330 Q N 0.139 119.976 119.800 0.062 0.000 2.325 330 Q HA 0.538 4.877 4.340 -0.002 0.000 0.270 330 Q C 0.270 176.302 176.000 0.053 0.000 1.020 330 Q CA -0.214 55.623 55.803 0.056 0.000 0.785 330 Q CB 1.470 30.245 28.738 0.061 0.000 1.259 330 Q HN 1.268 nan 8.270 nan 0.000 0.452 331 A N 2.126 124.974 122.820 0.047 0.000 2.783 331 A HA -0.183 4.136 4.320 -0.002 0.000 0.292 331 A C 1.124 178.736 177.584 0.046 0.000 1.495 331 A CA 1.455 53.518 52.037 0.045 0.000 0.787 331 A CB -2.151 16.874 19.000 0.040 0.000 1.017 331 A HN 1.625 nan 8.150 nan 0.000 0.516 332 G N -1.000 107.832 108.800 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 0.635 121.072 120.400 0.062 0.000 2.551 333 D HA 0.318 4.957 4.640 -0.002 0.000 0.223 333 D C 2.005 178.356 176.300 0.085 0.000 1.144 333 D CA 0.269 54.307 54.000 0.064 0.000 1.025 333 D CB 0.082 40.922 40.800 0.066 0.000 1.085 333 D HN 0.543 nan 8.370 nan 0.000 0.506 334 V N 0.543 120.512 119.914 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 1.152 63.535 62.300 0.138 0.000 1.122 334 V CB -0.482 31.457 31.823 0.192 0.000 0.708 334 V HN 0.260 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 -0.150 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 0.829 123.720 122.820 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 -0.065 52.061 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 0.305 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 -0.000 0.000 1.135 337 Y CA 2.288 60.415 58.100 0.045 0.000 1.106 337 Y CB -0.799 37.708 38.460 0.077 0.000 0.976 337 Y HN 0.456 nan 8.280 nan 0.000 0.483 338 I N 0.582 121.038 120.570 -0.191 0.000 2.208 338 I HA -0.227 3.942 4.170 -0.002 0.000 0.245 338 I C -0.754 175.317 176.117 -0.078 0.000 1.097 338 I CA 1.637 62.777 61.300 -0.266 0.000 1.363 338 I CB -1.916 35.900 38.000 -0.307 0.000 1.051 338 I HN 0.208 nan 8.210 nan 0.000 0.413 339 P HA -0.113 nan 4.420 nan 0.000 0.216 339 P C 1.725 179.061 177.300 0.060 0.000 1.150 339 P CA 1.558 64.674 63.100 0.027 0.000 0.837 339 P CB -0.215 31.525 31.700 0.068 0.000 0.786 340 T N -0.792 113.821 114.554 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 -0.786 68.189 68.868 0.178 0.000 0.868 340 T HN 0.102 nan 8.240 nan 0.000 0.444 341 N N 1.215 119.998 118.700 0.139 0.000 2.013 341 N HA -0.080 4.659 4.740 -0.002 0.000 0.195 341 N C 2.026 177.602 175.510 0.110 0.000 1.051 341 N CA 1.051 54.238 53.050 0.229 0.000 0.851 341 N CB -1.041 37.512 38.487 0.110 0.000 1.044 341 N HN 0.197 nan 8.380 nan 0.000 0.422 342 V N 1.742 121.648 119.914 -0.013 0.000 2.469 342 V HA -0.165 3.954 4.120 -0.002 0.000 0.251 342 V C 2.257 178.328 176.094 -0.037 0.000 1.064 342 V CA 1.155 63.404 62.300 -0.086 0.000 1.066 342 V CB -0.541 31.181 31.823 -0.168 0.000 0.667 342 V HN 0.267 nan 8.190 nan 0.000 0.461 343 I N 1.095 121.672 120.570 0.012 0.000 2.252 343 I HA -0.215 3.954 4.170 -0.002 0.000 0.245 343 I C 2.686 178.840 176.117 0.061 0.000 1.102 343 I CA 1.902 63.221 61.300 0.031 0.000 1.385 343 I CB -0.456 37.598 38.000 0.090 0.000 1.064 343 I HN 0.508 nan 8.210 nan 0.000 0.414 344 S N 0.797 116.561 115.700 0.107 0.000 2.474 344 S HA -0.059 4.410 4.470 -0.002 0.000 0.235 344 S C 1.768 176.456 174.600 0.146 0.000 0.997 344 S CA 0.830 59.117 58.200 0.145 0.000 0.949 344 S CB -0.407 62.920 63.200 0.213 0.000 0.766 344 S HN 0.452 nan 8.310 nan 0.000 0.517 345 I N 1.490 122.113 120.570 0.087 0.000 3.081 345 I HA 0.057 4.227 4.170 -0.002 0.000 0.274 345 I C 1.324 177.448 176.117 0.011 0.000 1.178 345 I CA 0.578 61.903 61.300 0.042 0.000 1.460 345 I CB -0.304 37.641 38.000 -0.091 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.282 112.266 114.554 -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 70.040 68.868 -0.051 0.000 1.028 346 T HN 0.031 nan 8.240 nan 0.000 0.523 347 D N 0.404 120.798 120.400 -0.009 0.000 2.349 347 D HA 0.280 4.919 4.640 -0.002 0.000 0.224 347 D C 0.950 177.248 176.300 -0.002 0.000 1.029 347 D CA 0.519 54.519 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 0.888 nan 8.370 nan 0.000 0.528 348 G N 0.066 108.857 108.800 -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 -0.839 118.894 119.800 -0.112 0.000 2.345 349 Q HA 0.673 5.012 4.340 -0.002 0.000 0.275 349 Q C -0.689 175.132 176.000 -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 -0.703 0.000 1.356 349 Q HN 0.581 nan 8.270 nan 0.000 0.418 350 I N 2.640 123.015 120.570 -0.324 0.000 2.330 350 I HA 0.340 4.509 4.170 -0.002 0.000 0.286 350 I C -0.897 175.080 176.117 -0.233 0.000 1.025 350 I CA -0.461 60.740 61.300 -0.164 0.000 1.197 350 I CB 0.415 38.358 38.000 -0.096 0.000 1.358 350 I HN 0.467 nan 8.210 nan 0.000 0.467 351 F N 6.830 126.782 119.950 0.004 0.000 2.421 351 F HA 0.378 4.904 4.527 -0.002 0.000 0.358 351 F C 0.256 176.062 175.800 0.009 0.000 1.115 351 F CA -0.243 57.760 58.000 0.005 0.000 1.160 351 F CB 0.630 39.635 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 4.001 125.311 121.223 0.145 0.000 2.357 352 L HA 0.489 4.828 4.340 -0.002 0.000 0.273 352 L C -0.262 176.671 176.870 0.105 0.000 1.080 352 L CA -0.525 54.375 54.840 0.100 0.000 0.803 352 L CB 1.310 43.392 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.532 120.789 120.200 0.094 0.000 2.256 353 E HA 0.223 4.572 4.350 -0.002 0.000 0.268 353 E C -0.086 176.567 176.600 0.088 0.000 0.877 353 E CA -0.443 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 1.343 115.941 114.554 0.073 0.000 2.652 354 T HA -0.262 4.087 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 1.779 63.942 62.100 0.105 0.000 1.153 354 T CB -0.082 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 1.017 121.318 120.200 0.169 0.000 2.065 355 E HA -0.192 4.157 4.350 -0.002 0.000 0.201 355 E C 2.185 178.875 176.600 0.150 0.000 1.016 355 E CA 1.291 57.791 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 -0.177 121.115 121.223 0.116 0.000 1.970 356 L HA -0.190 4.149 4.340 -0.002 0.000 0.212 356 L C 2.546 179.461 176.870 0.076 0.000 1.071 356 L CA 1.587 56.481 54.840 0.090 0.000 0.751 356 L CB -0.739 41.371 42.059 0.084 0.000 0.889 356 L HN 0.231 nan 8.230 nan 0.000 0.432 357 F N 0.290 120.188 119.950 -0.088 0.000 2.032 357 F HA -0.361 4.165 4.527 -0.001 0.000 0.297 357 F C 2.467 178.123 175.800 -0.239 0.000 1.125 357 F CA 1.954 59.823 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 0.046 120.490 120.300 0.239 0.000 2.483 358 Y HA -0.131 4.418 4.550 -0.002 0.000 0.291 358 Y C 2.191 178.108 175.900 0.029 0.000 1.143 358 Y CA 1.259 59.428 58.100 0.115 0.000 1.289 358 Y CB -0.773 37.777 38.460 0.151 0.000 0.983 358 Y HN 0.102 nan 8.280 nan 0.000 0.556 359 K N -0.833 119.641 120.400 0.122 0.000 2.487 359 K HA 0.116 4.435 4.320 -0.002 0.000 0.192 359 K C 1.358 177.968 176.600 0.016 0.000 1.027 359 K CA 0.678 57.011 56.287 0.077 0.000 1.054 359 K CB -0.084 32.460 32.500 0.073 0.000 0.824 359 K HN 0.446 nan 8.250 nan 0.000 0.510 360 G N 0.871 109.636 108.800 -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 -0.116 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 2.079 122.595 120.570 -0.090 0.000 2.329 361 I HA 0.389 4.558 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 0.273 61.537 61.300 -0.060 0.000 1.297 361 I CB 0.018 38.018 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.635 128.059 120.500 -0.127 0.000 2.502 362 R HA 0.407 4.746 4.340 -0.002 0.000 0.300 362 R C -2.577 173.693 176.300 -0.050 0.000 0.984 362 R CA -1.642 54.382 56.100 -0.128 0.000 0.882 362 R CB 2.556 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 -0.007 177.329 177.300 0.059 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 4.315 127.213 122.820 0.130 0.000 2.176 364 A HA 0.026 4.345 4.320 -0.002 0.000 0.214 364 A C 1.045 178.686 177.584 0.095 0.000 1.327 364 A CA -0.115 52.001 52.037 0.131 0.000 1.015 364 A CB -1.463 17.666 19.000 0.216 0.000 0.818 364 A HN 0.516 nan 8.150 nan 0.000 0.500 365 I N 1.231 121.845 120.570 0.073 0.000 2.662 365 I HA -0.066 4.103 4.170 -0.002 0.000 0.285 365 I C 0.620 176.788 176.117 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 0.700 176.267 175.510 0.095 0.000 1.136 366 N CA 0.066 53.173 53.050 0.094 0.000 0.953 366 N CB 1.365 39.906 38.487 0.090 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.876 123.832 119.914 0.069 0.000 2.407 367 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 367 V C 2.219 178.345 176.094 0.055 0.000 1.055 367 V CA 2.319 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 -0.636 108.184 108.800 0.033 0.000 2.418 368 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.217 368 G HA3 -0.195 3.764 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 0.794 45.901 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.909 122.137 121.223 0.008 0.000 2.567 369 L HA 0.225 4.564 4.340 -0.002 0.000 0.225 369 L C 1.103 178.112 176.870 0.232 0.000 1.119 369 L CA -0.297 54.530 54.840 -0.022 0.000 0.871 369 L CB 0.222 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 -0.340 115.519 115.700 0.266 0.000 2.603 370 S HA 0.521 4.990 4.470 -0.002 0.000 0.268 370 S C -0.128 174.573 174.600 0.167 0.000 1.317 370 S CA -0.455 57.918 58.200 0.288 0.000 1.012 370 S CB 1.652 64.952 63.200 0.166 0.000 0.926 370 S HN -0.010 nan 8.310 nan 0.000 0.539 371 V N 0.286 120.268 119.914 0.114 0.000 3.188 371 V HA 0.749 4.868 4.120 -0.002 0.000 0.305 371 V C -0.609 175.504 176.094 0.033 0.000 1.232 371 V CA -0.884 61.461 62.300 0.075 0.000 1.043 371 V CB 2.021 33.897 31.823 0.088 0.000 1.068 371 V HN 0.705 nan 8.190 nan 0.000 0.439 372 S N 0.140 115.855 115.700 0.025 0.000 2.620 372 S HA 0.419 4.888 4.470 -0.002 0.000 0.244 372 S C 0.707 175.314 174.600 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 64.148 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 -0.089 4.250 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 57.968 56.100 0.014 0.000 0.959 373 R CB -0.517 29.793 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.411 120.326 119.914 0.003 0.000 2.392 374 V HA -0.185 3.934 4.120 -0.002 0.000 0.249 374 V C 1.714 177.808 176.094 -0.001 0.000 1.059 374 V CA 1.647 63.946 62.300 -0.000 0.000 1.051 374 V CB -1.252 30.567 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.041 108.842 108.800 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 0.952 175.850 174.900 -0.003 0.000 1.277 375 G CA 0.473 45.574 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 -0.571 62.629 63.200 -0.000 0.000 0.774 376 S HN 1.683 nan 8.310 nan 0.000 0.501 377 A N 0.488 123.304 122.820 -0.006 0.000 2.245 377 A HA 0.122 4.441 4.320 -0.002 0.000 0.217 377 A C 1.814 179.389 177.584 -0.016 0.000 1.171 377 A CA 1.526 53.558 52.037 -0.008 0.000 0.688 377 A CB -0.441 18.556 19.000 -0.005 0.000 0.781 377 A HN 0.538 nan 8.150 nan 0.000 0.479 378 A N -1.880 120.929 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.665 4.320 -0.002 0.000 0.250 378 A C 0.729 178.294 177.584 -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 -0.330 175.659 176.000 -0.017 0.000 0.948 379 Q CA -0.273 55.521 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 0.437 nan 8.270 nan 0.000 0.470 380 T N -0.596 113.950 114.554 -0.014 0.000 2.874 380 T HA 0.191 4.540 4.350 -0.002 0.000 0.281 380 T C 0.846 175.544 174.700 -0.004 0.000 0.994 380 T CA -0.757 61.335 62.100 -0.013 0.000 1.015 380 T CB 1.190 70.052 68.868 -0.010 0.000 1.028 380 T HN 0.612 nan 8.240 nan 0.000 0.523 381 R N 0.322 120.821 120.500 -0.002 0.000 2.148 381 R HA -0.024 4.315 4.340 -0.002 0.000 0.227 381 R C 2.369 178.675 176.300 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 0.948 123.773 122.820 0.009 0.000 1.858 382 A HA -0.232 4.087 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 1.637 53.682 52.037 0.014 0.000 0.617 382 A CB -0.539 18.465 19.000 0.008 0.000 0.827 382 A HN 0.413 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 4.362 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 2.006 57.319 55.300 0.022 0.000 1.117 383 M CB -0.554 32.054 32.600 0.014 0.000 1.334 383 M HN 0.372 nan 8.290 nan 0.000 0.407 384 K N -0.511 119.898 120.400 0.016 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 2.088 58.384 56.287 0.014 0.000 0.926 384 K CB -0.484 32.022 32.500 0.009 0.000 0.714 384 K HN 0.574 nan 8.250 nan 0.000 0.448 385 Q N 0.574 120.390 119.800 0.027 0.000 2.248 385 Q HA -0.188 4.151 4.340 -0.002 0.000 0.208 385 Q C 1.712 177.740 176.000 0.048 0.000 0.984 385 Q CA 1.807 57.633 55.803 0.038 0.000 0.875 385 Q CB 0.191 28.957 28.738 0.046 0.000 0.910 385 Q HN 0.342 nan 8.270 nan 0.000 0.433 386 V N -4.483 115.459 119.914 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 62.848 62.300 0.048 0.000 1.225 386 V CB -1.104 30.767 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.009 124.842 122.820 0.023 0.000 1.915 387 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 387 A C 2.341 179.929 177.584 0.008 0.000 1.198 387 A CA 2.959 55.005 52.037 0.014 0.000 0.647 387 A CB -1.611 17.397 19.000 0.014 0.000 0.825 387 A HN 0.777 nan 8.150 nan 0.000 0.456 388 G N -1.016 107.788 108.800 0.007 0.000 2.446 388 G HA2 -0.245 3.715 3.960 -0.002 0.000 0.217 388 G HA3 -0.245 3.715 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 2.203 47.304 45.100 0.003 0.000 0.771 388 G HN 0.759 nan 8.290 nan 0.000 0.551 389 T N -1.674 112.875 114.554 -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 -0.025 0.000 1.078 389 T CA 1.014 63.101 62.100 -0.021 0.000 1.135 389 T CB -0.082 68.765 68.868 -0.034 0.000 0.895 389 T HN 0.195 nan 8.240 nan 0.000 0.480 390 M N 1.233 120.820 119.600 -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 1.771 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 0.160 120.559 120.400 -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 1.804 58.094 56.287 0.007 0.000 0.926 391 K CB -0.330 32.175 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 1.975 178.844 176.870 -0.000 0.000 1.079 392 L CA 1.669 56.508 54.840 -0.002 0.000 0.752 392 L CB -0.222 41.833 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 -0.317 29.358 29.700 -0.042 0.000 0.758 393 E HN 0.489 nan 8.360 nan 0.000 0.467 394 L N 1.147 122.387 121.223 0.028 0.000 1.994 394 L HA -0.160 4.179 4.340 -0.002 0.000 0.208 394 L C 2.761 179.688 176.870 0.096 0.000 1.071 394 L CA 1.149 56.039 54.840 0.083 0.000 0.745 394 L CB -0.605 41.489 42.059 0.059 0.000 0.892 394 L HN 0.141 nan 8.230 nan 0.000 0.431 395 A N -0.523 122.323 122.820 0.044 0.000 1.948 395 A HA -0.301 4.018 4.320 -0.002 0.000 0.220 395 A C 2.172 179.763 177.584 0.012 0.000 1.177 395 A CA 1.931 53.979 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 -2.286 117.531 119.800 0.027 0.000 2.079 396 Q HA -0.181 4.158 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 1.646 57.461 55.803 0.020 0.000 0.840 396 Q CB -0.350 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 1.561 59.621 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 0.331 120.756 120.500 -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 1.885 57.831 56.100 -0.255 0.000 0.979 398 R CB -0.267 29.965 30.300 -0.114 0.000 0.869 398 R HN 0.548 nan 8.270 nan 0.000 0.452 399 E N -0.444 119.638 120.200 -0.196 0.000 2.072 399 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 399 E C 1.784 178.140 176.600 -0.407 0.000 0.985 399 E CA 1.397 57.660 56.400 -0.228 0.000 0.801 399 E CB 0.209 29.821 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.631 120.292 119.914 -0.420 0.000 2.992 400 V HA -0.015 4.104 4.120 -0.002 0.000 0.250 400 V C 2.144 177.910 176.094 -0.546 0.000 1.090 400 V CA 0.870 62.792 62.300 -0.629 0.000 1.101 400 V CB -0.054 31.610 31.823 -0.266 0.000 0.743 400 V HN 0.227 nan 8.190 nan 0.000 0.468 401 A N 1.294 123.805 122.820 -0.515 0.000 1.916 401 A HA -0.409 3.910 4.320 -0.002 0.000 0.224 401 A C 2.434 179.889 177.584 -0.214 0.000 1.366 401 A CA 3.114 54.838 52.037 -0.521 0.000 0.692 401 A CB -1.231 17.288 19.000 -0.801 0.000 0.841 401 A HN 0.722 nan 8.150 nan 0.000 0.480 402 A N -1.729 120.966 122.820 -0.208 0.000 1.997 402 A HA -0.086 4.233 4.320 -0.002 0.000 0.221 402 A C 1.924 179.648 177.584 0.232 0.000 1.172 402 A CA 1.973 54.008 52.037 -0.004 0.000 0.645 402 A CB -0.758 18.232 19.000 -0.016 0.000 0.813 402 A HN 0.541 nan 8.150 nan 0.000 0.454 403 F N -0.046 119.914 119.950 0.018 0.000 2.146 403 F HA -0.050 4.476 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 -0.003 58.034 58.000 0.062 0.000 1.275 403 F CB -1.535 37.488 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 0.160 0.000 1.512 404 A CA 2.657 54.809 52.037 0.191 0.000 0.738 404 A CB -1.467 17.625 19.000 0.153 0.000 0.848 404 A HN 0.498 nan 8.150 nan 0.000 0.477 405 Q N -2.196 117.699 119.800 0.158 0.000 2.585 405 Q HA -0.064 4.275 4.340 -0.002 0.000 0.219 405 Q C 0.191 176.138 176.000 -0.089 0.000 0.984 405 Q CA 1.067 56.905 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 -2.810 117.168 119.950 0.047 0.000 3.022 406 F HA 0.243 4.769 4.527 -0.001 0.000 0.351 406 F C 1.149 176.948 175.800 -0.002 0.000 1.170 406 F CA -0.542 57.468 58.000 0.016 0.000 1.066 406 F CB 0.829 39.831 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.341 109.231 108.800 0.149 0.000 2.991 407 G HA2 0.052 4.011 3.960 -0.002 0.000 0.262 407 G HA3 0.052 4.011 3.960 -0.002 0.000 0.262 407 G C 0.900 175.829 174.900 0.048 0.000 0.765 407 G CA 0.400 45.556 45.100 0.093 0.000 2.051 407 G HN 0.229 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 0.012 0.000 0.982 408 S CA 1.078 59.290 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 0.148 4.787 4.640 -0.002 0.000 0.227 409 D C -1.007 175.297 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.170 40.630 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.807 122.043 121.223 0.023 0.000 2.375 410 L HA 0.485 4.824 4.340 -0.002 0.000 0.271 410 L C 0.765 177.655 176.870 0.033 0.000 1.107 410 L CA -1.076 53.785 54.840 0.034 0.000 0.806 410 L CB 0.495 42.600 42.059 0.076 0.000 1.146 410 L HN 0.216 nan 8.230 nan 0.000 0.447 411 D N 1.079 121.499 120.400 0.033 0.000 2.390 411 D HA 0.112 4.751 4.640 -0.002 0.000 0.236 411 D C 0.840 177.159 176.300 0.031 0.000 1.189 411 D CA -0.010 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 1.169 124.001 122.820 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 1.061 53.108 52.037 0.016 0.000 0.768 412 A CB -0.943 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 0.137 122.970 122.820 0.022 0.000 1.832 413 A HA -0.080 4.239 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 2.327 54.376 52.037 0.020 0.000 0.610 413 A CB -1.345 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 -2.286 112.299 114.554 0.052 0.000 2.904 414 T HA -0.182 4.167 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 1.537 63.682 62.100 0.075 0.000 1.137 414 T CB -0.426 68.515 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.260 120.099 119.800 0.065 0.000 2.291 415 Q HA -0.219 4.120 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 1.570 57.407 55.803 0.057 0.000 0.875 415 Q CB -0.155 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 0.814 120.625 119.800 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 1.981 57.779 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 -0.990 120.241 121.223 0.014 0.000 2.187 417 L HA -0.097 4.242 4.340 -0.002 0.000 0.213 417 L C 2.305 179.206 176.870 0.052 0.000 1.100 417 L CA 1.037 55.892 54.840 0.025 0.000 0.765 417 L CB -0.906 41.184 42.059 0.051 0.000 0.904 417 L HN 0.134 nan 8.230 nan 0.000 0.437 418 L N -0.089 121.190 121.223 0.093 0.000 2.056 418 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 418 L C 2.825 179.663 176.870 -0.054 0.000 1.078 418 L CA 1.143 56.069 54.840 0.142 0.000 0.749 418 L CB -0.578 41.582 42.059 0.167 0.000 0.901 418 L HN 0.220 nan 8.230 nan 0.000 0.433 419 S N -0.656 115.011 115.700 -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 -0.196 62.962 63.200 -0.071 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 1.216 121.618 120.500 -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 1.558 57.542 56.100 -0.193 0.000 0.960 420 R CB -1.593 28.619 30.300 -0.145 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.198 108.706 108.800 -0.487 0.000 2.553 421 G HA2 -0.281 3.679 3.960 -0.002 0.000 0.218 421 G HA3 -0.281 3.679 3.960 -0.002 0.000 0.218 421 G C 1.474 175.739 174.900 -1.059 0.000 1.195 421 G CA 1.979 46.375 45.100 -1.174 0.000 0.779 421 G HN 0.357 nan 8.290 nan 0.000 0.577 422 V N -1.113 118.369 119.914 -0.720 0.000 2.515 422 V HA 0.037 4.156 4.120 -0.002 0.000 0.250 422 V C 2.681 178.646 176.094 -0.214 0.000 1.058 422 V CA 2.146 64.244 62.300 -0.338 0.000 1.064 422 V CB -0.560 31.173 31.823 -0.150 0.000 0.675 422 V HN 0.195 nan 8.190 nan 0.000 0.461 423 R N 0.392 120.762 120.500 -0.217 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 1.758 57.758 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 -0.180 0.000 2.043 424 L HA -0.256 4.083 4.340 -0.002 0.000 0.212 424 L C 2.071 178.884 176.870 -0.095 0.000 1.075 424 L CA 1.724 56.486 54.840 -0.131 0.000 0.752 424 L CB -0.775 41.206 42.059 -0.131 0.000 0.891 424 L HN 0.314 nan 8.230 nan 0.000 0.432 425 T N -1.087 113.398 114.554 -0.115 0.000 2.788 425 T HA -0.161 4.188 4.350 -0.002 0.000 0.268 425 T C 1.739 176.419 174.700 -0.033 0.000 1.044 425 T CA 1.108 63.179 62.100 -0.048 0.000 1.139 425 T CB -0.128 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 2.119 178.706 176.600 -0.022 0.000 0.995 426 E CA 0.472 56.853 56.400 -0.031 0.000 0.836 426 E CB -0.188 29.489 29.700 -0.039 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.051 121.254 121.223 -0.033 0.000 2.313 427 L HA -0.034 4.305 4.340 -0.002 0.000 0.214 427 L C 2.164 179.034 176.870 -0.000 0.000 1.119 427 L CA 0.350 55.181 54.840 -0.014 0.000 0.809 427 L CB -0.154 41.890 42.059 -0.026 0.000 0.933 427 L HN 0.076 nan 8.230 nan 0.000 0.449 428 L N -0.685 120.535 121.223 -0.005 0.000 2.478 428 L HA -0.024 4.315 4.340 -0.002 0.000 0.223 428 L C 1.115 177.986 176.870 0.003 0.000 1.140 428 L CA 0.330 55.172 54.840 0.003 0.000 0.842 428 L CB -0.331 41.732 42.059 0.007 0.000 0.953 428 L HN 0.104 nan 8.230 nan 0.000 0.452 429 K N 0.817 121.216 120.400 -0.002 0.000 2.336 429 K HA 0.207 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 0.417 56.699 56.287 -0.009 0.000 0.927 429 K CB 0.455 32.948 32.500 -0.011 0.000 0.956 429 K HN 0.036 nan 8.250 nan 0.000 0.495 430 Q N -0.524 119.267 119.800 -0.015 0.000 2.503 430 Q HA 0.209 4.548 4.340 -0.002 0.000 0.268 430 Q C -0.926 175.061 176.000 -0.021 0.000 0.982 430 Q CA -0.538 55.259 55.803 -0.010 0.000 0.907 430 Q CB 1.961 30.693 28.738 -0.010 0.000 1.467 430 Q HN 0.850 nan 8.270 nan 0.000 0.394 431 G N 1.067 109.863 108.800 -0.007 0.000 2.562 431 G HA2 0.338 4.297 3.960 -0.002 0.000 0.275 431 G HA3 0.338 4.297 3.960 -0.002 0.000 0.275 431 G C -0.529 174.349 174.900 -0.035 0.000 1.196 431 G CA -0.064 45.035 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.538 118.221 119.800 -0.069 0.000 2.256 432 Q HA 0.348 4.687 4.340 -0.002 0.000 0.232 432 Q C -0.337 175.545 176.000 -0.197 0.000 0.965 432 Q CA -0.481 55.141 55.803 -0.301 0.000 0.908 432 Q CB 0.512 28.928 28.738 -0.536 0.000 1.209 432 Q HN 0.566 nan 8.270 nan 0.000 0.489 433 Y N -1.389 118.916 120.300 0.009 0.000 4.538 433 Y HA -0.289 4.260 4.550 -0.002 0.000 0.225 433 Y C -0.179 175.722 175.900 0.001 0.000 1.074 433 Y CA 0.905 59.006 58.100 0.002 0.000 1.942 433 Y CB -2.450 36.009 38.460 -0.002 0.000 1.618 433 Y HN 0.403 nan 8.280 nan 0.000 0.642 434 S N -1.508 114.235 115.700 0.071 0.000 2.317 434 S HA 0.535 5.004 4.470 -0.002 0.000 0.144 434 S C -2.643 171.967 174.600 0.017 0.000 1.660 434 S CA -1.205 57.025 58.200 0.051 0.000 1.273 434 S CB 1.723 64.956 63.200 0.054 0.000 1.330 434 S HN 0.026 nan 8.310 nan 0.000 0.395 435 P HA 0.310 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 -0.287 62.816 63.100 0.005 0.000 0.776 435 P CB 0.609 32.317 31.700 0.014 0.000 0.888 436 M N 1.024 120.624 119.600 -0.000 0.000 2.528 436 M HA 0.713 5.192 4.480 -0.002 0.000 0.318 436 M C 0.006 176.301 176.300 -0.008 0.000 1.195 436 M CA -1.245 54.049 55.300 -0.009 0.000 1.000 436 M CB 1.424 34.022 32.600 -0.003 0.000 1.615 436 M HN 0.190 nan 8.290 nan 0.000 0.469 437 A N 1.606 124.409 122.820 -0.029 0.000 2.450 437 A HA 0.284 4.603 4.320 -0.002 0.000 0.255 437 A C 0.930 178.516 177.584 0.003 0.000 1.096 437 A CA -0.546 51.474 52.037 -0.029 0.000 0.778 437 A CB -0.064 18.896 19.000 -0.065 0.000 1.031 437 A HN 0.936 nan 8.150 nan 0.000 0.494 438 I N 1.911 122.502 120.570 0.034 0.000 2.290 438 I HA -0.296 3.873 4.170 -0.002 0.000 0.253 438 I C 1.889 178.015 176.117 0.016 0.000 1.112 438 I CA 2.217 63.536 61.300 0.033 0.000 1.377 438 I CB -0.197 37.831 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.134 120.066 120.200 0.001 0.000 2.152 439 E HA -0.186 4.163 4.350 -0.002 0.000 0.192 439 E C 2.064 178.653 176.600 -0.018 0.000 0.983 439 E CA 1.269 57.661 56.400 -0.013 0.000 0.818 439 E CB -0.263 29.420 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 2.048 178.660 176.600 0.021 0.000 0.982 440 E CA 0.843 57.232 56.400 -0.019 0.000 0.809 440 E CB 0.043 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 2.050 441 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 441 Q C 2.601 178.635 176.000 0.057 0.000 0.980 441 Q CA 1.835 57.661 55.803 0.039 0.000 0.840 441 Q CB -0.321 28.435 28.738 0.031 0.000 0.898 441 Q HN 0.340 nan 8.270 nan 0.000 0.424 442 V N -1.005 118.938 119.914 0.048 0.000 2.407 442 V HA -0.157 3.962 4.120 -0.002 0.000 0.248 442 V C 2.158 178.311 176.094 0.099 0.000 1.055 442 V CA 1.787 64.127 62.300 0.067 0.000 1.049 442 V CB -1.021 30.831 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.128 123.992 122.820 0.072 0.000 1.883 443 A HA -0.120 4.199 4.320 -0.002 0.000 0.217 443 A C 2.561 180.298 177.584 0.256 0.000 1.186 443 A CA 2.997 55.102 52.037 0.114 0.000 0.624 443 A CB -1.109 17.933 19.000 0.070 0.000 0.822 443 A HN 1.278 nan 8.150 nan 0.000 0.444 444 V N -1.134 118.916 119.914 0.227 0.000 2.307 444 V HA -0.171 3.948 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 1.820 64.248 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 0.433 nan 8.190 nan 0.000 0.449 445 I N 0.061 120.699 120.570 0.113 0.000 2.208 445 I HA -0.241 3.928 4.170 -0.002 0.000 0.245 445 I C 2.628 178.806 176.117 0.102 0.000 1.097 445 I CA 2.686 64.032 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 2.320 122.632 120.300 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 1.982 60.100 58.100 0.030 0.000 1.163 446 Y CB -0.438 38.055 38.460 0.055 0.000 0.974 446 Y HN 0.134 nan 8.280 nan 0.000 0.511 447 A N 0.212 123.153 122.820 0.201 0.000 1.884 447 A HA -0.220 4.099 4.320 -0.002 0.000 0.219 447 A C 2.479 180.017 177.584 -0.077 0.000 1.197 447 A CA 2.329 54.399 52.037 0.055 0.000 0.637 447 A CB -1.739 17.177 19.000 -0.140 0.000 0.827 447 A HN 0.636 nan 8.150 nan 0.000 0.450 448 G N -1.596 107.126 108.800 -0.130 0.000 2.411 448 G HA2 0.071 4.030 3.960 -0.002 0.000 0.213 448 G HA3 0.071 4.030 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 0.880 120.696 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.983 4.120 -0.002 0.000 0.248 449 V C 2.926 178.866 176.094 -0.257 0.000 1.055 449 V CA 1.642 63.840 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 1.802 177.745 176.300 -0.595 0.000 1.043 450 R CA 0.904 56.678 56.100 -0.544 0.000 1.006 450 R CB -0.597 29.218 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.778 107.739 108.800 -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 -0.408 0.000 0.994 451 G CA 0.134 44.985 45.100 -0.415 0.000 0.644 451 G HN 0.279 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 0.040 4.589 4.550 -0.002 0.000 0.286 452 Y C 2.713 178.446 175.900 -0.278 0.000 1.166 452 Y CA 1.806 59.779 58.100 -0.212 0.000 1.203 452 Y CB -0.319 38.020 38.460 -0.202 0.000 0.977 452 Y HN 0.410 nan 8.280 nan 0.000 0.529 453 L N -0.678 120.408 121.223 -0.228 0.000 2.611 453 L HA 0.086 4.425 4.340 -0.002 0.000 0.229 453 L C 0.932 177.678 176.870 -0.206 0.000 1.137 453 L CA 0.018 54.665 54.840 -0.322 0.000 0.901 453 L CB -0.256 41.530 42.059 -0.455 0.000 1.098 453 L HN 0.008 nan 8.230 nan 0.000 0.456 454 D N 1.541 121.841 120.400 -0.167 0.000 2.178 454 D HA -0.152 4.487 4.640 -0.002 0.000 0.201 454 D C 1.734 177.979 176.300 -0.092 0.000 0.980 454 D CA 1.345 55.265 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 -0.537 119.820 120.400 -0.072 0.000 2.374 455 K HA 0.141 4.460 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 0.567 33.059 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 0.115 4.454 4.340 -0.002 0.000 0.261 456 L C 0.044 176.906 176.870 -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 3.930 124.151 120.200 0.035 0.000 2.289 457 E HA 0.132 4.481 4.350 -0.002 0.000 0.278 457 E C -1.783 174.828 176.600 0.018 0.000 1.032 457 E CA -1.567 54.852 56.400 0.031 0.000 0.854 457 E CB 1.349 31.086 29.700 0.062 0.000 1.046 457 E HN 0.472 nan 8.360 nan 0.000 0.409 458 P HA -0.266 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 1.829 64.922 63.100 -0.011 0.000 0.887 458 P CB 0.073 31.766 31.700 -0.011 0.000 0.792 459 S N -1.472 114.249 115.700 0.035 0.000 2.465 459 S HA -0.160 4.309 4.470 -0.002 0.000 0.241 459 S C 1.569 176.222 174.600 0.087 0.000 1.000 459 S CA 1.369 59.601 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 0.109 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 1.732 178.429 176.600 0.162 0.000 1.045 460 K CA 0.149 56.557 56.287 0.201 0.000 1.026 460 K CB -0.208 32.498 32.500 0.344 0.000 0.866 460 K HN 0.290 nan 8.250 nan 0.000 0.530 461 I N 1.284 121.892 120.570 0.063 0.000 2.236 461 I HA -0.324 3.845 4.170 -0.002 0.000 0.249 461 I C 1.364 177.539 176.117 0.096 0.000 1.102 461 I CA 1.682 62.995 61.300 0.023 0.000 1.365 461 I CB -1.510 36.461 38.000 -0.048 0.000 1.051 461 I HN 0.158 nan 8.210 nan 0.000 0.420 462 T N 0.617 115.224 114.554 0.087 0.000 2.788 462 T HA -0.202 4.147 4.350 -0.002 0.000 0.268 462 T C 1.987 176.759 174.700 0.120 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 -0.024 120.475 120.400 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 0.660 57.077 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 2.544 122.426 119.950 -0.113 0.000 2.026 464 F HA -0.234 4.292 4.527 -0.002 0.000 0.296 464 F C 2.371 178.095 175.800 -0.128 0.000 1.133 464 F CA 2.146 59.896 58.000 -0.417 0.000 1.188 464 F CB -0.497 38.194 39.000 -0.515 0.000 0.968 464 F HN 0.140 nan 8.300 nan 0.000 0.476 465 E N 0.271 120.605 120.200 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 0.044 0.000 1.016 465 E CA 1.614 58.120 56.400 0.178 0.000 0.818 465 E CB -0.581 29.224 29.700 0.175 0.000 0.749 465 E HN 0.449 nan 8.360 nan 0.000 0.453 466 N N 0.224 118.953 118.700 0.048 0.000 2.037 466 N HA -0.222 4.517 4.740 -0.002 0.000 0.196 466 N C 1.710 177.228 175.510 0.014 0.000 1.034 466 N CA 2.038 55.111 53.050 0.038 0.000 0.861 466 N CB -0.358 38.172 38.487 0.071 0.000 1.039 466 N HN 0.285 nan 8.380 nan 0.000 0.427 467 A N -0.167 122.674 122.820 0.035 0.000 1.897 467 A HA -0.066 4.253 4.320 -0.002 0.000 0.215 467 A C 2.161 179.727 177.584 -0.031 0.000 1.181 467 A CA 0.847 52.951 52.037 0.112 0.000 0.620 467 A CB -0.927 18.257 19.000 0.306 0.000 0.821 467 A HN 0.429 nan 8.150 nan 0.000 0.443 468 F N 0.201 119.787 119.950 -0.606 0.000 2.134 468 F HA -0.129 4.397 4.527 -0.002 0.000 0.299 468 F C 1.729 177.209 175.800 -0.534 0.000 1.097 468 F CA 1.727 59.002 58.000 -1.209 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 -0.177 120.813 121.223 -0.388 0.000 2.217 469 L HA -0.076 4.263 4.340 -0.002 0.000 0.211 469 L C 2.327 179.040 176.870 -0.261 0.000 1.107 469 L CA 1.573 56.206 54.840 -0.345 0.000 0.783 469 L CB -0.911 41.085 42.059 -0.105 0.000 0.919 469 L HN 0.117 nan 8.230 nan 0.000 0.442 470 S N -1.623 113.985 115.700 -0.153 0.000 2.371 470 S HA -0.208 4.261 4.470 -0.002 0.000 0.224 470 S C 1.876 176.452 174.600 -0.039 0.000 1.029 470 S CA 1.174 59.339 58.200 -0.058 0.000 0.978 470 S CB -0.457 62.755 63.200 0.019 0.000 0.833 470 S HN 0.660 nan 8.310 nan 0.000 0.466 471 H N 2.051 121.021 119.070 -0.167 0.000 2.293 471 H HA -0.046 4.509 4.556 -0.002 0.000 0.300 471 H C 2.159 177.398 175.328 -0.148 0.000 1.082 471 H CA 2.073 58.062 56.048 -0.099 0.000 1.308 471 H CB -0.696 29.066 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 2.301 178.230 176.094 -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 -0.653 0.000 0.705 472 V HN 0.435 nan 8.190 nan 0.000 0.475 473 I N 0.863 121.292 120.570 -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 -0.116 0.000 1.198 473 I CA 1.383 62.594 61.300 -0.149 0.000 1.482 473 I CB 0.042 37.969 38.000 -0.121 0.000 1.100 473 I HN 0.547 nan 8.210 nan 0.000 0.445 474 S N 0.074 115.703 115.700 -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 0.510 58.663 58.200 -0.077 0.000 0.945 474 S CB -0.097 63.096 63.200 -0.012 0.000 0.908 474 S HN 0.284 nan 8.310 nan 0.000 0.496 475 Q N -0.006 119.693 119.800 -0.168 0.000 2.096 475 Q HA 0.017 4.356 4.340 -0.002 0.000 0.197 475 Q C 0.643 176.375 176.000 -0.447 0.000 0.964 475 Q CA 1.130 56.767 55.803 -0.278 0.000 0.838 475 Q CB -0.320 28.236 28.738 -0.304 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.608 119.509 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.725 4.556 -0.002 0.000 0.302 476 H C 0.815 176.039 175.328 -0.173 0.000 1.163 476 H CA -0.105 55.810 56.048 -0.221 0.000 1.049 476 H CB 0.237 29.831 29.762 -0.279 0.000 1.543 476 H HN 0.142 nan 8.280 nan 0.000 0.523 477 Q N 0.082 119.830 119.800 -0.087 0.000 2.541 477 Q HA 0.003 4.342 4.340 -0.002 0.000 0.215 477 Q C 1.614 177.580 176.000 -0.056 0.000 0.977 477 Q CA 0.661 56.421 55.803 -0.073 0.000 0.934 477 Q CB 0.342 29.034 28.738 -0.077 0.000 0.988 477 Q HN 0.609 nan 8.270 nan 0.000 0.521 478 A N 0.099 122.890 122.820 -0.048 0.000 2.044 478 A HA 0.035 4.354 4.320 -0.002 0.000 0.213 478 A C 1.813 179.384 177.584 -0.022 0.000 1.169 478 A CA 0.019 52.035 52.037 -0.036 0.000 0.724 478 A CB -0.070 18.907 19.000 -0.039 0.000 0.840 478 A HN 0.347 nan 8.150 nan 0.000 0.463 479 L N -0.446 120.773 121.223 -0.007 0.000 2.127 479 L HA 0.018 4.357 4.340 -0.002 0.000 0.203 479 L C 2.213 179.056 176.870 -0.046 0.000 1.080 479 L CA 0.952 55.780 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 0.039 121.230 121.223 -0.053 0.000 2.083 480 L HA -0.184 4.155 4.340 -0.002 0.000 0.209 480 L C 3.029 179.871 176.870 -0.046 0.000 1.083 480 L CA 1.382 56.185 54.840 -0.061 0.000 0.752 480 L CB -1.024 40.990 42.059 -0.074 0.000 0.899 480 L HN 0.395 nan 8.230 nan 0.000 0.433 481 S N 0.130 115.805 115.700 -0.042 0.000 2.399 481 S HA -0.192 4.277 4.470 -0.002 0.000 0.231 481 S C 2.107 176.691 174.600 -0.027 0.000 1.022 481 S CA 1.386 59.565 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 0.073 4.392 4.320 -0.002 0.000 0.212 482 K C 1.882 178.467 176.600 -0.025 0.000 1.044 482 K CA 1.263 57.536 56.287 -0.024 0.000 0.942 482 K CB -0.452 32.033 32.500 -0.025 0.000 0.726 482 K HN 0.405 nan 8.250 nan 0.000 0.440 483 I N 1.172 121.721 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.733 4.170 -0.002 0.000 0.243 483 I C 2.764 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.482 62.762 61.300 -0.034 0.000 1.308 483 I CB -0.304 37.666 38.000 -0.049 0.000 1.015 483 I HN 0.282 nan 8.210 nan 0.000 0.410 484 R N 0.247 120.734 120.500 -0.021 0.000 2.127 484 R HA -0.200 4.139 4.340 -0.002 0.000 0.228 484 R C 2.302 178.598 176.300 -0.007 0.000 1.125 484 R CA 2.713 58.807 56.100 -0.011 0.000 0.904 484 R CB -0.755 29.536 30.300 -0.015 0.000 0.831 484 R HN 0.253 nan 8.270 nan 0.000 0.431 485 T N 1.252 115.800 114.554 -0.010 0.000 2.516 485 T HA -0.186 4.163 4.350 -0.002 0.000 0.261 485 T C 1.302 175.998 174.700 -0.007 0.000 1.130 485 T CA 2.134 64.230 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 0.399 nan 8.240 nan 0.000 0.410 486 D N 0.343 120.737 120.400 -0.009 0.000 2.362 486 D HA 0.015 4.654 4.640 -0.002 0.000 0.215 486 D C 1.629 177.926 176.300 -0.005 0.000 0.978 486 D CA 1.153 55.149 54.000 -0.007 0.000 0.921 486 D CB -0.806 39.989 40.800 -0.008 0.000 0.895 486 D HN 0.610 nan 8.370 nan 0.000 0.494 487 G N 0.312 109.108 108.800 -0.006 0.000 2.205 487 G HA2 -0.395 3.565 3.960 -0.002 0.000 0.269 487 G HA3 -0.395 3.565 3.960 -0.002 0.000 0.269 487 G C 0.473 175.371 174.900 -0.002 0.000 0.977 487 G CA 1.491 46.588 45.100 -0.004 0.000 0.652 487 G HN 0.630 nan 8.290 nan 0.000 0.539 488 K N -1.767 118.632 120.400 -0.003 0.000 2.305 488 K HA 0.786 5.105 4.320 -0.002 0.000 0.268 488 K C -1.056 175.541 176.600 -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 0.007 0.000 1.506 488 K HN 0.073 nan 8.250 nan 0.000 0.425 489 I N 2.815 123.387 120.570 0.004 0.000 2.310 489 I HA 0.133 4.302 4.170 -0.002 0.000 0.287 489 I C -0.191 175.929 176.117 0.005 0.000 1.073 489 I CA -0.068 61.227 61.300 -0.009 0.000 1.216 489 I CB 1.286 39.282 38.000 -0.008 0.000 1.415 489 I HN 0.710 nan 8.210 nan 0.000 0.480 490 S N 3.503 119.200 115.700 -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 -0.399 57.804 58.200 0.005 0.000 1.008 490 S CB 0.838 64.038 63.200 -0.000 0.000 0.898 490 S HN 0.713 nan 8.310 nan 0.000 0.555 491 E N 0.565 120.778 120.200 0.021 0.000 2.160 491 E HA -0.203 4.146 4.350 -0.002 0.000 0.195 491 E C 1.705 178.322 176.600 0.029 0.000 0.991 491 E CA 1.265 57.684 56.400 0.032 0.000 0.810 491 E CB -0.018 29.699 29.700 0.028 0.000 0.742 491 E HN 0.796 nan 8.360 nan 0.000 0.466 492 E N -0.097 120.113 120.200 0.016 0.000 1.999 492 E HA -0.108 4.241 4.350 -0.002 0.000 0.194 492 E C 2.165 178.766 176.600 0.001 0.000 0.995 492 E CA 1.072 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 1.294 116.984 115.700 -0.016 0.000 2.423 493 S HA -0.214 4.255 4.470 -0.002 0.000 0.238 493 S C 1.529 176.083 174.600 -0.077 0.000 1.028 493 S CA 1.173 59.344 58.200 -0.048 0.000 1.000 493 S CB -0.346 62.818 63.200 -0.060 0.000 0.797 493 S HN 0.310 nan 8.310 nan 0.000 0.487 494 D N 1.313 121.694 120.400 -0.033 0.000 2.097 494 D HA -0.078 4.561 4.640 -0.002 0.000 0.195 494 D C 2.119 178.452 176.300 0.055 0.000 0.989 494 D CA 1.300 55.302 54.000 0.004 0.000 0.827 494 D CB -0.155 40.702 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.886 123.738 122.820 0.055 0.000 1.933 495 A HA -0.176 4.143 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 1.831 53.907 52.037 0.065 0.000 0.628 495 A CB -0.462 18.569 19.000 0.051 0.000 0.814 495 A HN 0.239 nan 8.150 nan 0.000 0.444 496 K N -0.481 119.922 120.400 0.005 0.000 2.097 496 K HA 0.006 4.325 4.320 -0.002 0.000 0.205 496 K C 1.811 178.381 176.600 -0.051 0.000 1.050 496 K CA 1.131 57.412 56.287 -0.010 0.000 0.938 496 K CB -0.290 32.201 32.500 -0.014 0.000 0.718 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 L N 1.115 122.282 121.223 -0.093 0.000 2.056 497 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 497 L C 2.585 179.445 176.870 -0.016 0.000 1.078 497 L CA 1.433 56.195 54.840 -0.130 0.000 0.749 497 L CB -0.360 41.463 42.059 -0.393 0.000 0.901 497 L HN 0.233 nan 8.230 nan 0.000 0.433 498 K N 0.088 120.531 120.400 0.071 0.000 2.020 498 K HA -0.293 4.026 4.320 -0.002 0.000 0.212 498 K C 2.000 178.562 176.600 -0.063 0.000 1.050 498 K CA 2.092 58.407 56.287 0.048 0.000 0.929 498 K CB -0.014 32.588 32.500 0.170 0.000 0.714 498 K HN 0.116 nan 8.250 nan 0.000 0.443 499 E N 0.704 120.906 120.200 0.003 0.000 2.051 499 E HA -0.134 4.215 4.350 -0.002 0.000 0.192 499 E C 1.923 178.544 176.600 0.035 0.000 0.991 499 E CA 1.499 57.912 56.400 0.022 0.000 0.799 499 E CB -0.143 29.585 29.700 0.046 0.000 0.748 499 E HN 0.370 nan 8.360 nan 0.000 0.449 500 I N 0.128 120.709 120.570 0.018 0.000 2.194 500 I HA -0.285 3.884 4.170 -0.002 0.000 0.246 500 I C 2.335 178.561 176.117 0.183 0.000 1.093 500 I CA 1.406 62.740 61.300 0.058 0.000 1.355 500 I CB -0.425 37.483 38.000 -0.153 0.000 1.046 500 I HN 0.138 nan 8.210 nan 0.000 0.413 501 V N -1.830 118.116 119.914 0.053 0.000 2.649 501 V HA -0.094 4.025 4.120 -0.002 0.000 0.248 501 V C 2.361 178.441 176.094 -0.023 0.000 1.054 501 V CA 1.632 63.925 62.300 -0.012 0.000 1.073 501 V CB -1.152 30.476 31.823 -0.325 0.000 0.699 501 V HN 0.545 nan 8.190 nan 0.000 0.463 502 T N -2.459 112.028 114.554 -0.111 0.000 3.055 502 T HA -0.006 4.343 4.350 -0.002 0.000 0.265 502 T C 1.656 176.405 174.700 0.082 0.000 1.111 502 T CA 1.301 63.386 62.100 -0.025 0.000 1.118 502 T CB -0.534 68.317 68.868 -0.030 0.000 0.909 502 T HN 0.501 nan 8.240 nan 0.000 0.501 503 N N -0.045 118.727 118.700 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 2.054 122.064 119.950 0.099 0.000 2.146 504 F HA 0.062 4.588 4.527 -0.001 0.000 0.298 504 F C 2.154 178.057 175.800 0.171 0.000 1.096 504 F CA 0.805 58.870 58.000 0.110 0.000 1.275 504 F CB -0.222 38.890 39.000 0.186 0.000 1.008 504 F HN -0.097 nan 8.300 nan 0.000 0.480 505 L N -0.355 121.150 121.223 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 41.327 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 -1.441 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 46.270 45.100 -0.111 0.000 0.780 507 G HN 0.454 nan 8.290 nan 0.000 0.565 508 F N 1.447 121.287 119.950 -0.184 0.000 2.115 508 F HA -0.097 4.429 4.527 -0.001 0.000 0.300 508 F C 2.137 177.943 175.800 0.009 0.000 1.092 508 F CA 1.815 59.775 58.000 -0.067 0.000 1.245 508 F CB 0.119 39.200 39.000 0.134 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.265 120.517 120.200 0.087 0.000 2.411 509 E HA 0.341 4.690 4.350 -0.002 0.000 0.228 509 E C 0.046 176.624 176.600 -0.037 0.000 1.169 509 E CA -0.285 56.117 56.400 0.003 0.000 1.421 509 E CB 0.036 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