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 1bmf_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 SQHQALLGKI 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 2.466 123.691 121.223 0.003 0.000 2.611 25 L HA 0.253 4.593 4.340 -0.000 0.000 0.229 25 L C 1.749 178.598 176.870 -0.036 0.000 1.137 25 L CA 0.169 55.003 54.840 -0.011 0.000 0.901 25 L CB 0.274 42.327 42.059 -0.010 0.000 1.098 25 L HN 0.439 nan 8.230 nan 0.000 0.456 26 E N 0.044 120.227 120.200 -0.028 0.000 2.166 26 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 26 E C 1.256 177.834 176.600 -0.036 0.000 0.967 26 E CA 0.469 56.849 56.400 -0.034 0.000 0.840 26 E CB 0.617 30.302 29.700 -0.025 0.000 0.795 26 E HN 0.335 nan 8.360 nan 0.000 0.470 27 E N 0.115 120.296 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.395 4.350 -0.000 0.000 0.208 27 E C 0.318 176.892 176.600 -0.043 0.000 0.997 27 E CA 0.259 56.637 56.400 -0.036 0.000 0.961 27 E CB 1.497 31.179 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 5.069 4.350 -0.000 0.000 0.299 28 T C -0.021 174.662 174.700 -0.029 0.000 1.166 28 T CA -0.551 61.525 62.100 -0.040 0.000 1.007 28 T CB 2.487 71.337 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.462 109.244 108.800 -0.029 0.000 2.733 29 G HA2 0.722 4.682 3.960 -0.000 0.000 0.288 29 G HA3 0.722 4.682 3.960 -0.000 0.000 0.288 29 G C -1.564 173.360 174.900 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 -0.543 120.014 120.500 0.094 0.000 2.599 30 R HA 0.517 4.856 4.340 -0.000 0.000 0.295 30 R C -0.724 175.645 176.300 0.114 0.000 0.963 30 R CA -0.722 55.434 56.100 0.093 0.000 0.883 30 R CB 2.557 32.904 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 -0.001 4.119 4.120 -0.000 0.000 0.286 31 V C 1.359 177.505 176.094 0.087 0.000 1.034 31 V CA 0.296 62.677 62.300 0.135 0.000 1.045 31 V CB 0.666 32.585 31.823 0.159 0.000 0.974 31 V HN 0.737 nan 8.190 nan 0.000 0.480 32 L N 3.608 124.881 121.223 0.085 0.000 2.298 32 L HA 0.178 4.518 4.340 -0.000 0.000 0.209 32 L C 0.870 177.762 176.870 0.038 0.000 1.084 32 L CA 0.818 55.688 54.840 0.050 0.000 0.816 32 L CB 0.146 42.240 42.059 0.058 0.000 0.967 32 L HN 0.873 nan 8.230 nan 0.000 0.460 33 S N -0.909 114.819 115.700 0.047 0.000 2.543 33 S HA 0.593 5.062 4.470 -0.000 0.000 0.274 33 S C -1.220 173.399 174.600 0.031 0.000 1.149 33 S CA -0.819 57.399 58.200 0.030 0.000 0.866 33 S CB 2.321 65.535 63.200 0.024 0.000 1.111 33 S HN -0.008 nan 8.310 nan 0.000 0.457 34 I N 0.903 121.480 120.570 0.010 0.000 2.569 34 I HA 0.904 5.074 4.170 -0.000 0.000 0.290 34 I C -0.302 175.804 176.117 -0.019 0.000 1.088 34 I CA 0.299 61.593 61.300 -0.009 0.000 1.047 34 I CB 1.517 39.495 38.000 -0.037 0.000 1.237 34 I HN 1.358 nan 8.210 nan 0.000 0.421 35 G N 4.354 113.141 108.800 -0.021 0.000 2.616 35 G HA2 0.392 4.352 3.960 -0.000 0.000 0.294 35 G HA3 0.392 4.352 3.960 -0.000 0.000 0.294 35 G C -1.187 173.700 174.900 -0.022 0.000 1.489 35 G CA -0.543 44.544 45.100 -0.022 0.000 0.836 35 G HN 0.624 nan 8.290 nan 0.000 0.527 36 D N -0.378 120.008 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.441 4.640 -0.000 0.000 0.233 36 D C 1.679 177.964 176.300 -0.026 0.000 1.155 36 D CA 2.760 56.745 54.000 -0.025 0.000 0.667 36 D CB -1.114 39.672 40.800 -0.024 0.000 1.060 36 D HN 2.203 nan 8.370 nan 0.000 0.427 37 G N -1.059 107.723 108.800 -0.030 0.000 2.168 37 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.263 37 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.263 37 G C 0.267 175.162 174.900 -0.009 0.000 0.977 37 G CA 0.402 45.485 45.100 -0.028 0.000 0.659 37 G HN 0.499 nan 8.290 nan 0.000 0.533 38 I N 1.058 121.625 120.570 -0.005 0.000 2.354 38 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 38 I C 0.603 176.741 176.117 0.036 0.000 0.989 38 I CA -0.916 60.398 61.300 0.023 0.000 1.188 38 I CB 1.204 39.210 38.000 0.010 0.000 1.342 38 I HN 0.295 nan 8.210 nan 0.000 0.457 39 A N 7.828 130.703 122.820 0.092 0.000 2.317 39 A HA 0.741 5.061 4.320 -0.000 0.000 0.327 39 A C -0.102 177.566 177.584 0.141 0.000 1.178 39 A CA -0.708 51.409 52.037 0.133 0.000 0.817 39 A CB 1.035 20.201 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.251 122.821 120.500 0.117 0.000 2.312 40 R HA 0.393 4.733 4.340 -0.000 0.000 0.310 40 R C -1.147 175.221 176.300 0.114 0.000 1.064 40 R CA -0.284 55.874 56.100 0.096 0.000 0.983 40 R CB 1.075 31.415 30.300 0.067 0.000 1.139 40 R HN 0.518 nan 8.270 nan 0.000 0.536 41 V N 2.844 122.825 119.914 0.112 0.000 2.509 41 V HA 0.172 4.292 4.120 -0.000 0.000 0.284 41 V C 0.241 176.395 176.094 0.100 0.000 1.047 41 V CA -0.770 61.594 62.300 0.105 0.000 0.952 41 V CB 1.304 33.160 31.823 0.055 0.000 0.988 41 V HN 0.601 nan 8.190 nan 0.000 0.469 42 H N 2.537 121.620 119.070 0.021 0.000 2.488 42 H HA 0.663 5.219 4.556 -0.000 0.000 0.322 42 H C 0.379 175.708 175.328 0.002 0.000 1.078 42 H CA 1.079 57.134 56.048 0.012 0.000 1.260 42 H CB 0.904 30.674 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 3.773 3.960 -0.000 0.000 0.209 43 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.209 43 G C -0.164 174.660 174.900 -0.127 0.000 1.176 43 G CA -0.468 44.502 45.100 -0.217 0.000 1.074 43 G HN 1.153 nan 8.290 nan 0.000 0.577 44 L N -0.479 120.696 121.223 -0.080 0.000 3.717 44 L HA -0.205 4.135 4.340 -0.000 0.000 0.414 44 L C 2.277 179.106 176.870 -0.068 0.000 1.228 44 L CA 0.771 55.569 54.840 -0.070 0.000 0.918 44 L CB -0.767 41.250 42.059 -0.070 0.000 1.865 44 L HN 0.643 nan 8.230 nan 0.000 0.922 45 R N 0.526 120.983 120.500 -0.072 0.000 2.170 45 R HA -0.093 4.247 4.340 -0.000 0.000 0.242 45 R C 1.422 177.695 176.300 -0.045 0.000 1.145 45 R CA 1.454 57.516 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 4.727 4.740 -0.000 0.000 0.192 46 N C 0.101 175.591 175.510 -0.032 0.000 1.109 46 N CA 0.128 53.158 53.050 -0.033 0.000 0.855 46 N CB 0.350 38.819 38.487 -0.030 0.000 0.974 46 N HN 0.006 nan 8.380 nan 0.000 0.482 47 V N 0.196 120.088 119.914 -0.037 0.000 2.872 47 V HA 0.042 4.162 4.120 -0.000 0.000 0.307 47 V C 0.411 176.492 176.094 -0.022 0.000 1.072 47 V CA -0.526 61.754 62.300 -0.034 0.000 1.148 47 V CB 0.184 31.984 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.859 122.648 119.800 -0.018 0.000 2.193 48 Q HA 0.727 5.067 4.340 -0.000 0.000 0.246 48 Q C 0.157 176.157 176.000 0.000 0.000 0.959 48 Q CA -0.520 55.279 55.803 -0.008 0.000 0.904 48 Q CB 1.205 29.939 28.738 -0.007 0.000 1.238 48 Q HN 1.106 nan 8.270 nan 0.000 0.469 49 A N 1.250 124.076 122.820 0.010 0.000 2.540 49 A HA 0.076 4.395 4.320 -0.000 0.000 0.239 49 A C 0.114 177.715 177.584 0.028 0.000 1.061 49 A CA 0.205 52.256 52.037 0.022 0.000 0.758 49 A CB -0.341 18.677 19.000 0.029 0.000 0.991 49 A HN 0.940 nan 8.150 nan 0.000 0.502 50 E N -0.869 119.357 120.200 0.043 0.000 3.286 50 E HA -0.197 4.153 4.350 -0.000 0.000 0.292 50 E C 0.175 176.797 176.600 0.036 0.000 0.928 50 E CA 1.492 57.927 56.400 0.059 0.000 0.982 50 E CB -1.332 28.400 29.700 0.052 0.000 1.500 50 E HN 0.874 nan 8.360 nan 0.000 0.441 51 E N 0.161 120.368 120.200 0.011 0.000 2.366 51 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 51 E C -0.012 176.564 176.600 -0.040 0.000 1.051 51 E CA -0.422 55.968 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 4.262 123.819 119.600 -0.071 0.000 2.162 52 M HA 0.144 4.624 4.480 -0.000 0.000 0.356 52 M C -0.079 176.137 176.300 -0.140 0.000 1.303 52 M CA -0.213 55.006 55.300 -0.134 0.000 1.116 52 M CB 0.601 33.110 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.260 121.067 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.846 4.120 -0.000 0.000 0.313 53 V C -0.847 175.095 176.094 -0.254 0.000 1.162 53 V CA -0.851 61.323 62.300 -0.211 0.000 1.048 53 V CB 2.368 34.045 31.823 -0.243 0.000 1.092 53 V HN 0.887 nan 8.190 nan 0.000 0.447 54 E N 0.317 120.349 120.200 -0.280 0.000 2.256 54 E HA 0.524 4.874 4.350 -0.000 0.000 0.268 54 E C -1.806 174.635 176.600 -0.266 0.000 0.877 54 E CA -0.666 55.612 56.400 -0.203 0.000 0.757 54 E CB 1.898 31.542 29.700 -0.094 0.000 1.183 54 E HN 0.624 nan 8.360 nan 0.000 0.418 55 F N 1.609 121.555 119.950 -0.008 0.000 2.382 55 F HA 0.117 4.644 4.527 -0.000 0.000 0.331 55 F C 1.908 177.711 175.800 0.005 0.000 1.121 55 F CA -0.167 57.836 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 0.643 116.449 115.700 0.177 0.000 2.414 56 S HA -0.336 4.134 4.470 -0.000 0.000 0.238 56 S C 2.211 176.871 174.600 0.099 0.000 1.055 56 S CA 2.074 60.335 58.200 0.102 0.000 1.174 56 S CB -1.134 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 1.243 117.008 115.700 0.109 0.000 2.462 57 S HA -0.038 4.432 4.470 -0.000 0.000 0.251 57 S C 1.707 176.354 174.600 0.077 0.000 1.018 57 S CA 1.601 59.848 58.200 0.078 0.000 0.988 57 S CB -1.047 62.190 63.200 0.061 0.000 0.766 57 S HN 1.440 nan 8.310 nan 0.000 0.504 58 G N -0.463 108.398 108.800 0.101 0.000 2.218 58 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 58 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 58 G C -0.157 174.805 174.900 0.104 0.000 0.994 58 G CA -0.104 45.044 45.100 0.079 0.000 0.637 58 G HN 0.474 nan 8.290 nan 0.000 0.505 59 L N 1.705 123.019 121.223 0.151 0.000 2.456 59 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 59 L C 0.976 178.006 176.870 0.266 0.000 1.189 59 L CA 0.599 55.547 54.840 0.181 0.000 0.846 59 L CB 0.655 42.794 42.059 0.132 0.000 1.111 59 L HN 0.263 nan 8.230 nan 0.000 0.475 60 K N 0.865 121.362 120.400 0.163 0.000 2.148 60 K HA 0.818 5.138 4.320 -0.000 0.000 0.239 60 K C -0.069 176.615 176.600 0.140 0.000 1.018 60 K CA -0.495 55.803 56.287 0.017 0.000 0.923 60 K CB 1.191 33.534 32.500 -0.261 0.000 1.117 60 K HN 0.746 nan 8.250 nan 0.000 0.477 61 G N 0.206 108.983 108.800 -0.039 0.000 2.673 61 G HA2 0.487 4.447 3.960 -0.000 0.000 0.292 61 G HA3 0.487 4.447 3.960 -0.000 0.000 0.292 61 G C -1.892 172.990 174.900 -0.030 0.000 1.450 61 G CA -0.826 44.398 45.100 0.207 0.000 0.837 61 G HN 0.500 nan 8.290 nan 0.000 0.505 62 M N 1.141 120.857 119.600 0.193 0.000 2.321 62 M HA 0.609 5.089 4.480 -0.000 0.000 0.315 62 M C -0.557 175.828 176.300 0.143 0.000 1.052 62 M CA -0.521 54.868 55.300 0.149 0.000 0.936 62 M CB 1.835 34.640 32.600 0.341 0.000 1.639 62 M HN 0.319 nan 8.290 nan 0.000 0.433 63 S N 5.917 121.660 115.700 0.071 0.000 2.423 63 S HA 0.261 4.731 4.470 -0.000 0.000 0.302 63 S C 0.863 175.504 174.600 0.068 0.000 1.143 63 S CA -0.481 57.754 58.200 0.058 0.000 1.080 63 S CB -0.034 63.177 63.200 0.017 0.000 1.081 63 S HN 0.751 nan 8.310 nan 0.000 0.522 64 L N 2.138 123.406 121.223 0.075 0.000 2.463 64 L HA 0.224 4.564 4.340 -0.000 0.000 0.219 64 L C 0.102 176.999 176.870 0.045 0.000 1.088 64 L CA 0.454 55.333 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 5.126 4.740 -0.000 0.000 0.267 65 N C -1.093 174.430 175.510 0.022 0.000 0.998 65 N CA -0.112 52.954 53.050 0.026 0.000 0.918 65 N CB 1.503 40.001 38.487 0.019 0.000 1.215 65 N HN -0.032 nan 8.380 nan 0.000 0.500 66 L N 1.996 123.229 121.223 0.018 0.000 2.272 66 L HA 0.439 4.779 4.340 -0.000 0.000 0.284 66 L C 0.338 177.212 176.870 0.006 0.000 1.045 66 L CA -0.366 54.479 54.840 0.008 0.000 0.842 66 L CB 0.777 42.839 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.491 123.693 120.200 0.004 0.000 2.232 67 E HA 0.308 4.658 4.350 -0.000 0.000 0.264 67 E C -1.593 175.004 176.600 -0.004 0.000 0.973 67 E CA -1.753 54.649 56.400 0.004 0.000 0.849 67 E CB 1.727 31.432 29.700 0.009 0.000 1.198 67 E HN 0.271 nan 8.360 nan 0.000 0.407 68 P HA -0.208 nan 4.420 nan 0.000 0.215 68 P C 0.449 177.742 177.300 -0.012 0.000 1.163 68 P CA 1.511 64.607 63.100 -0.006 0.000 0.894 68 P CB 0.107 31.808 31.700 0.001 0.000 0.791 69 D N -1.865 118.536 120.400 0.001 0.000 2.368 69 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 69 D C 0.029 176.336 176.300 0.011 0.000 1.112 69 D CA -0.168 53.837 54.000 0.009 0.000 0.834 69 D CB -0.675 40.148 40.800 0.039 0.000 0.953 69 D HN 0.366 nan 8.370 nan 0.000 0.505 70 N N -1.835 116.864 118.700 -0.003 0.000 3.533 70 N HA 0.225 4.965 4.740 -0.000 0.000 0.229 70 N C -2.046 173.466 175.510 0.005 0.000 1.418 70 N CA -0.950 52.105 53.050 0.008 0.000 0.880 70 N CB 1.144 39.661 38.487 0.049 0.000 1.415 70 N HN -0.207 nan 8.380 nan 0.000 0.491 71 V N -0.038 119.884 119.914 0.014 0.000 2.378 71 V HA 0.768 4.887 4.120 -0.000 0.000 0.288 71 V C 0.657 176.778 176.094 0.045 0.000 1.016 71 V CA -0.511 61.800 62.300 0.018 0.000 0.840 71 V CB 1.033 32.857 31.823 0.001 0.000 0.994 71 V HN 0.891 nan 8.190 nan 0.000 0.431 72 G N 4.071 112.897 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.443 3.960 -0.000 0.000 0.305 72 G HA3 0.483 4.443 3.960 -0.000 0.000 0.305 72 G C -0.508 174.440 174.900 0.081 0.000 1.072 72 G CA -0.152 44.983 45.100 0.058 0.000 1.016 72 G HN 0.518 nan 8.290 nan 0.000 0.418 73 V N 3.362 123.353 119.914 0.128 0.000 2.472 73 V HA 0.199 4.319 4.120 -0.000 0.000 0.290 73 V C 0.280 176.500 176.094 0.210 0.000 1.037 73 V CA -0.674 61.736 62.300 0.183 0.000 0.908 73 V CB 1.945 33.921 31.823 0.255 0.000 0.985 73 V HN 0.428 nan 8.190 nan 0.000 0.454 74 V N 6.275 126.321 119.914 0.220 0.000 2.356 74 V HA 0.150 4.270 4.120 -0.000 0.000 0.258 74 V C 0.217 176.516 176.094 0.343 0.000 1.065 74 V CA -0.189 62.239 62.300 0.214 0.000 0.935 74 V CB 1.351 33.286 31.823 0.187 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.710 126.765 119.914 0.235 0.000 2.521 75 V HA 0.124 4.244 4.120 -0.000 0.000 0.286 75 V C 0.429 176.704 176.094 0.302 0.000 1.034 75 V CA 0.011 62.454 62.300 0.238 0.000 1.045 75 V CB 0.384 32.179 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.871 124.877 119.950 0.093 0.000 2.733 76 F HA 0.588 5.115 4.527 -0.000 0.000 0.344 76 F C 1.070 176.898 175.800 0.047 0.000 1.179 76 F CA 0.299 58.347 58.000 0.080 0.000 1.316 76 F CB -0.131 38.930 39.000 0.102 0.000 1.577 76 F HN 0.732 nan 8.300 nan 0.000 0.591 77 G N 0.320 109.196 108.800 0.127 0.000 2.351 77 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.279 77 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.279 77 G C -1.475 173.433 174.900 0.013 0.000 1.297 77 G CA -1.210 43.931 45.100 0.068 0.000 0.886 77 G HN 0.062 nan 8.290 nan 0.000 0.493 78 N N 1.553 120.254 118.700 0.001 0.000 2.452 78 N HA 0.167 4.907 4.740 -0.000 0.000 0.266 78 N C 0.672 176.151 175.510 -0.052 0.000 1.175 78 N CA 0.230 53.268 53.050 -0.020 0.000 0.945 78 N CB 0.796 39.277 38.487 -0.011 0.000 1.063 78 N HN 0.505 nan 8.380 nan 0.000 0.472 79 D N 2.792 123.153 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.562 4.640 -0.000 0.000 0.243 79 D C 0.928 177.181 176.300 -0.080 0.000 1.184 79 D CA 0.044 53.982 54.000 -0.104 0.000 0.853 79 D CB 0.164 40.900 40.800 -0.107 0.000 0.944 79 D HN 0.660 nan 8.370 nan 0.000 0.501 80 K N 1.057 121.424 120.400 -0.055 0.000 2.262 80 K HA -0.023 4.297 4.320 -0.000 0.000 0.200 80 K C 1.489 178.065 176.600 -0.039 0.000 1.049 80 K CA 0.041 56.305 56.287 -0.038 0.000 0.979 80 K CB -0.029 32.457 32.500 -0.023 0.000 0.773 80 K HN 0.162 nan 8.250 nan 0.000 0.474 81 L N 1.968 123.162 121.223 -0.049 0.000 2.660 81 L HA 0.289 4.628 4.340 -0.000 0.000 0.238 81 L C 0.224 177.058 176.870 -0.061 0.000 1.161 81 L CA 0.028 54.844 54.840 -0.040 0.000 0.937 81 L CB -0.208 41.836 42.059 -0.025 0.000 1.122 81 L HN 0.115 nan 8.230 nan 0.000 0.435 82 I N -0.234 120.280 120.570 -0.094 0.000 2.533 82 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 82 I C -0.346 175.740 176.117 -0.052 0.000 1.056 82 I CA -0.519 60.715 61.300 -0.109 0.000 1.057 82 I CB 2.180 39.999 38.000 -0.302 0.000 1.240 82 I HN -0.007 nan 8.210 nan 0.000 0.423 83 K N 3.620 124.017 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.707 4.320 -0.000 0.000 0.245 83 K C -0.739 175.877 176.600 0.027 0.000 1.017 83 K CA -0.981 55.309 56.287 0.005 0.000 0.852 83 K CB 2.312 34.817 32.500 0.008 0.000 1.311 83 K HN 0.545 nan 8.250 nan 0.000 0.452 84 E N 0.102 120.314 120.200 0.020 0.000 2.442 84 E HA -0.046 4.304 4.350 -0.000 0.000 0.262 84 E C 0.569 177.189 176.600 0.034 0.000 1.004 84 E CA 1.452 57.869 56.400 0.028 0.000 0.928 84 E CB 0.200 29.908 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.011 112.838 108.800 0.044 0.000 2.284 85 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.247 85 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.247 85 G C -0.021 174.916 174.900 0.061 0.000 1.012 85 G CA 0.223 45.348 45.100 0.041 0.000 0.618 85 G HN 0.685 nan 8.290 nan 0.000 0.521 86 D N 0.688 121.137 120.400 0.081 0.000 2.548 86 D HA 0.300 4.940 4.640 -0.000 0.000 0.231 86 D C 0.808 177.175 176.300 0.112 0.000 1.142 86 D CA 0.338 54.403 54.000 0.107 0.000 0.866 86 D CB 0.424 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 1.923 122.543 120.570 0.083 0.000 2.395 87 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 87 I C -0.081 176.044 176.117 0.013 0.000 1.023 87 I CA -0.290 61.038 61.300 0.046 0.000 1.350 87 I CB 1.205 39.221 38.000 0.025 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.752 126.636 119.914 -0.050 0.000 2.513 88 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 88 V C -0.112 175.888 176.094 -0.156 0.000 1.035 88 V CA -0.946 61.232 62.300 -0.203 0.000 0.889 88 V CB 1.467 33.080 31.823 -0.351 0.000 0.988 88 V HN 0.627 nan 8.190 nan 0.000 0.440 89 K N 3.404 123.702 120.400 -0.169 0.000 2.328 89 K HA 0.693 5.012 4.320 -0.000 0.000 0.246 89 K C -0.629 175.892 176.600 -0.132 0.000 0.955 89 K CA -0.953 55.265 56.287 -0.115 0.000 0.817 89 K CB 2.352 34.805 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.148 120.589 120.500 -0.098 0.000 2.615 90 R HA 0.112 4.452 4.340 -0.000 0.000 0.270 90 R C 1.004 177.256 176.300 -0.080 0.000 1.081 90 R CA -0.030 56.014 56.100 -0.092 0.000 1.154 90 R CB 0.588 30.847 30.300 -0.068 0.000 1.063 90 R HN 0.894 nan 8.270 nan 0.000 0.519 91 T N -2.706 111.801 114.554 -0.078 0.000 3.000 91 T HA 0.165 4.515 4.350 -0.000 0.000 0.248 91 T C 1.444 176.114 174.700 -0.049 0.000 1.034 91 T CA 0.501 62.562 62.100 -0.065 0.000 1.060 91 T CB 0.414 69.239 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.824 110.594 108.800 -0.049 0.000 2.304 92 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.252 92 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.252 92 G C 0.410 175.290 174.900 -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 0.826 123.624 122.820 -0.037 0.000 2.327 93 A HA 0.725 5.045 4.320 -0.000 0.000 0.283 93 A C 0.553 178.116 177.584 -0.034 0.000 1.127 93 A CA 0.117 52.135 52.037 -0.033 0.000 0.810 93 A CB 0.543 19.522 19.000 -0.035 0.000 1.066 93 A HN 1.467 nan 8.150 nan 0.000 0.492 94 I N 2.097 122.653 120.570 -0.024 0.000 2.783 94 I HA 0.474 4.644 4.170 -0.000 0.000 0.312 94 I C -0.291 175.815 176.117 -0.018 0.000 0.988 94 I CA -0.665 60.623 61.300 -0.020 0.000 1.182 94 I CB 1.613 39.606 38.000 -0.013 0.000 1.368 94 I HN 0.358 nan 8.210 nan 0.000 0.511 95 V N 5.712 125.621 119.914 -0.009 0.000 2.475 95 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 95 V C 0.009 176.106 176.094 0.005 0.000 1.003 95 V CA 0.194 62.496 62.300 0.003 0.000 1.120 95 V CB -0.715 31.131 31.823 0.038 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.634 125.038 120.400 0.006 0.000 2.523 96 D HA 0.722 5.362 4.640 -0.000 0.000 0.236 96 D C -0.569 175.738 176.300 0.013 0.000 1.094 96 D CA -0.570 53.434 54.000 0.008 0.000 0.942 96 D CB 2.430 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 -4.692 115.229 119.914 0.012 0.000 3.130 97 V HA 0.702 4.822 4.120 -0.000 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 1.621 33.459 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 0.959 32.632 31.700 -0.045 0.000 0.926 99 V N -0.627 119.195 119.914 -0.153 0.000 3.264 99 V HA 0.699 4.819 4.120 -0.000 0.000 0.294 99 V C -0.118 175.627 176.094 -0.582 0.000 1.429 99 V CA 0.473 62.609 62.300 -0.274 0.000 1.053 99 V CB 1.680 33.401 31.823 -0.170 0.000 1.128 99 V HN 1.077 nan 8.190 nan 0.000 0.452 100 G N 2.190 110.308 108.800 -1.138 0.000 2.592 100 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.684 100 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.684 100 G C 0.188 174.556 174.900 -0.887 0.000 1.291 100 G CA 0.151 44.094 45.100 -1.928 0.000 0.891 100 G HN 0.870 nan 8.290 nan 0.000 0.544 101 E N 0.587 120.426 120.200 -0.602 0.000 2.273 101 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 101 E C 2.115 178.670 176.600 -0.075 0.000 1.002 101 E CA 1.625 57.932 56.400 -0.155 0.000 0.828 101 E CB -0.079 29.597 29.700 -0.040 0.000 0.747 101 E HN 0.745 nan 8.360 nan 0.000 0.491 102 E N 1.078 121.205 120.200 -0.122 0.000 2.274 102 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 102 E C 2.155 178.735 176.600 -0.034 0.000 0.996 102 E CA 0.410 56.775 56.400 -0.058 0.000 0.840 102 E CB -0.321 29.341 29.700 -0.063 0.000 0.772 102 E HN 0.349 nan 8.360 nan 0.000 0.491 103 L N 0.946 122.141 121.223 -0.047 0.000 2.362 103 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 103 L C 1.348 178.242 176.870 0.040 0.000 1.134 103 L CA 0.261 55.098 54.840 -0.005 0.000 0.807 103 L CB -0.633 41.421 42.059 -0.008 0.000 0.927 103 L HN 0.068 nan 8.230 nan 0.000 0.447 104 L N 0.558 121.824 121.223 0.072 0.000 2.573 104 L HA -0.025 4.315 4.340 -0.000 0.000 0.290 104 L C 1.446 178.349 176.870 0.056 0.000 1.247 104 L CA 0.778 55.678 54.840 0.099 0.000 0.876 104 L CB -0.321 41.826 42.059 0.146 0.000 1.123 104 L HN 0.392 nan 8.230 nan 0.000 0.505 105 G N 1.536 110.356 108.800 0.034 0.000 2.203 105 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.263 105 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.263 105 G C 0.200 175.102 174.900 0.003 0.000 1.012 105 G CA -0.058 45.042 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.218 119.290 120.500 0.013 0.000 2.854 106 R HA 0.724 5.064 4.340 -0.000 0.000 0.271 106 R C -0.368 175.942 176.300 0.016 0.000 0.996 106 R CA -1.000 55.107 56.100 0.012 0.000 0.961 106 R CB 1.860 32.168 30.300 0.014 0.000 1.182 106 R HN 0.243 nan 8.270 nan 0.000 0.479 107 V N 2.424 122.347 119.914 0.015 0.000 2.326 107 V HA 0.353 4.473 4.120 -0.000 0.000 0.281 107 V C -0.034 176.075 176.094 0.026 0.000 1.015 107 V CA -0.821 61.492 62.300 0.022 0.000 0.823 107 V CB 1.349 33.182 31.823 0.016 0.000 1.009 107 V HN 0.542 nan 8.190 nan 0.000 0.436 108 V N 1.157 121.091 119.914 0.033 0.000 2.815 108 V HA 0.789 4.909 4.120 -0.000 0.000 0.314 108 V C -0.046 176.073 176.094 0.040 0.000 1.064 108 V CA -0.824 61.496 62.300 0.033 0.000 0.952 108 V CB 1.970 33.812 31.823 0.031 0.000 1.020 108 V HN 0.753 nan 8.190 nan 0.000 0.439 109 D N 3.067 123.492 120.400 0.041 0.000 2.398 109 D HA 0.376 5.016 4.640 -0.000 0.000 0.264 109 D C 1.251 177.581 176.300 0.050 0.000 1.263 109 D CA 0.120 54.148 54.000 0.046 0.000 1.037 109 D CB 0.817 41.647 40.800 0.051 0.000 1.101 109 D HN 0.772 nan 8.370 nan 0.000 0.551 110 A N -0.868 121.984 122.820 0.053 0.000 2.121 110 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 110 A C 2.146 179.775 177.584 0.075 0.000 1.154 110 A CA 0.728 52.797 52.037 0.054 0.000 0.679 110 A CB -0.728 18.298 19.000 0.043 0.000 0.795 110 A HN 0.519 nan 8.150 nan 0.000 0.458 111 L N -1.511 119.765 121.223 0.088 0.000 2.628 111 L HA 0.245 4.585 4.340 -0.000 0.000 0.229 111 L C 1.597 178.502 176.870 0.058 0.000 1.137 111 L CA 0.489 55.384 54.840 0.091 0.000 0.909 111 L CB -0.054 42.078 42.059 0.122 0.000 1.137 111 L HN 0.545 nan 8.230 nan 0.000 0.470 112 G N -0.266 108.562 108.800 0.047 0.000 2.176 112 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 112 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 112 G C 0.227 175.142 174.900 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 1.176 119.896 118.700 0.034 0.000 2.518 113 N HA 0.477 5.217 4.740 -0.000 0.000 0.266 113 N C 0.606 176.131 175.510 0.026 0.000 1.196 113 N CA 0.739 53.806 53.050 0.029 0.000 0.947 113 N CB 1.167 39.676 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.075 124.906 122.820 0.019 0.000 2.409 114 A HA 0.281 4.601 4.320 -0.000 0.000 0.262 114 A C 1.277 178.872 177.584 0.019 0.000 1.113 114 A CA -0.342 51.705 52.037 0.017 0.000 0.790 114 A CB -0.390 18.616 19.000 0.011 0.000 1.046 114 A HN 0.808 nan 8.150 nan 0.000 0.496 115 I N -0.509 120.073 120.570 0.020 0.000 4.147 115 I HA 0.245 4.415 4.170 -0.000 0.000 0.329 115 I C 0.376 176.502 176.117 0.015 0.000 1.424 115 I CA -0.002 61.310 61.300 0.020 0.000 1.127 115 I CB 0.459 38.474 38.000 0.025 0.000 1.128 115 I HN 0.454 nan 8.210 nan 0.000 0.417 116 D N 1.271 121.678 120.400 0.011 0.000 2.328 116 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 116 D C 1.639 177.942 176.300 0.004 0.000 1.072 116 D CA 0.362 54.365 54.000 0.006 0.000 0.850 116 D CB -0.114 40.688 40.800 0.003 0.000 0.922 116 D HN 0.409 nan 8.370 nan 0.000 0.516 117 G N 1.123 109.928 108.800 0.007 0.000 2.296 117 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.282 117 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.282 117 G C 0.746 175.648 174.900 0.004 0.000 1.014 117 G CA 0.594 45.697 45.100 0.006 0.000 0.812 117 G HN 0.477 nan 8.290 nan 0.000 0.508 118 K N 0.088 120.490 120.400 0.003 0.000 2.446 118 K HA 0.446 4.766 4.320 -0.000 0.000 0.203 118 K C 1.280 177.882 176.600 0.002 0.000 1.027 118 K CA 0.406 56.694 56.287 0.002 0.000 1.166 118 K CB 0.175 32.676 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 -0.000 0.000 0.686 119 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.686 119 G C -2.923 171.978 174.900 0.002 0.000 1.271 119 G CA -1.298 43.804 45.100 0.003 0.000 0.816 119 G HN -0.033 nan 8.290 nan 0.000 0.608 120 P HA 0.365 nan 4.420 nan 0.000 0.269 120 P C 0.713 178.011 177.300 -0.005 0.000 1.209 120 P CA -0.241 62.858 63.100 -0.001 0.000 0.776 120 P CB 0.472 32.171 31.700 -0.002 0.000 0.876 121 I N -0.927 119.639 120.570 -0.007 0.000 2.416 121 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 121 I C 0.890 176.993 176.117 -0.022 0.000 1.051 121 I CA -0.298 60.993 61.300 -0.015 0.000 1.375 121 I CB 0.081 38.070 38.000 -0.018 0.000 1.407 121 I HN 0.408 nan 8.210 nan 0.000 0.516 122 G N 5.387 114.172 108.800 -0.025 0.000 3.455 122 G HA2 0.170 4.130 3.960 -0.000 0.000 0.250 122 G HA3 0.170 4.130 3.960 -0.000 0.000 0.250 122 G C 0.477 175.351 174.900 -0.044 0.000 1.071 122 G CA -0.361 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 0.319 4.789 4.470 -0.000 0.000 0.276 123 S C 0.983 175.546 174.600 -0.062 0.000 1.247 123 S CA -0.610 57.545 58.200 -0.075 0.000 1.053 123 S CB 2.316 65.468 63.200 -0.081 0.000 0.925 123 S HN 0.376 nan 8.310 nan 0.000 0.491 124 K N 2.652 123.010 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.556 4.320 -0.000 0.000 0.208 124 K C 1.066 177.641 176.600 -0.043 0.000 1.038 124 K CA 0.986 57.246 56.287 -0.045 0.000 0.943 124 K CB -0.313 32.166 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.662 124.449 122.820 -0.055 0.000 2.371 125 A HA 0.267 4.587 4.320 -0.000 0.000 0.257 125 A C -0.502 177.053 177.584 -0.050 0.000 1.089 125 A CA -0.036 51.981 52.037 -0.033 0.000 0.794 125 A CB 0.284 19.285 19.000 0.002 0.000 1.029 125 A HN 0.228 nan 8.150 nan 0.000 0.488 126 R N 1.103 121.589 120.500 -0.023 0.000 2.513 126 R HA 0.459 4.798 4.340 -0.000 0.000 0.301 126 R C -0.474 175.824 176.300 -0.004 0.000 0.968 126 R CA -0.595 55.493 56.100 -0.021 0.000 0.872 126 R CB 2.365 32.655 30.300 -0.016 0.000 1.177 126 R HN 0.869 nan 8.270 nan 0.000 0.444 127 R N 1.527 122.027 120.500 0.001 0.000 2.787 127 R HA 0.397 4.737 4.340 -0.000 0.000 0.271 127 R C -0.478 175.831 176.300 0.014 0.000 0.993 127 R CA -0.739 55.370 56.100 0.016 0.000 0.993 127 R CB 1.472 31.790 30.300 0.031 0.000 1.155 127 R HN 0.443 nan 8.270 nan 0.000 0.486 128 R N 1.586 122.094 120.500 0.014 0.000 2.390 128 R HA 0.064 4.404 4.340 -0.000 0.000 0.291 128 R C 1.469 177.777 176.300 0.013 0.000 1.070 128 R CA -0.095 56.010 56.100 0.008 0.000 1.014 128 R CB 1.287 31.587 30.300 0.000 0.000 1.007 128 R HN 0.632 nan 8.270 nan 0.000 0.466 129 V N 1.334 121.255 119.914 0.012 0.000 2.295 129 V HA -0.002 4.118 4.120 -0.000 0.000 0.246 129 V C 0.948 177.042 176.094 -0.000 0.000 1.049 129 V CA 1.533 63.849 62.300 0.027 0.000 1.024 129 V CB -0.583 31.259 31.823 0.032 0.000 0.648 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 G N 1.059 109.813 108.800 -0.077 0.000 2.428 130 G HA2 0.639 4.599 3.960 -0.000 0.000 0.320 130 G HA3 0.639 4.599 3.960 -0.000 0.000 0.320 130 G C -0.903 173.957 174.900 -0.066 0.000 1.098 130 G CA -0.423 44.593 45.100 -0.141 0.000 0.984 130 G HN 0.383 nan 8.290 nan 0.000 0.444 131 L N 0.983 122.190 121.223 -0.025 0.000 2.301 131 L HA 0.563 4.903 4.340 -0.000 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 2.434 44.496 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.770 121.169 120.400 -0.001 0.000 2.237 132 K HA 0.533 4.853 4.320 -0.000 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 1.246 33.753 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.422 127.245 122.820 0.005 0.000 2.448 133 A HA 0.232 4.552 4.320 -0.000 0.000 0.239 133 A C -2.122 175.442 177.584 -0.033 0.000 1.080 133 A CA -1.042 50.991 52.037 -0.007 0.000 0.779 133 A CB -0.531 18.469 19.000 0.001 0.000 1.026 133 A HN 0.620 nan 8.150 nan 0.000 0.499 134 P HA 0.167 nan 4.420 nan 0.000 0.268 134 P C 0.651 177.894 177.300 -0.095 0.000 1.204 134 P CA 0.504 63.531 63.100 -0.122 0.000 0.768 134 P CB 0.295 31.890 31.700 -0.175 0.000 0.842 135 G N 1.938 110.679 108.800 -0.098 0.000 2.527 135 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.279 135 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.279 135 G C 0.984 175.850 174.900 -0.057 0.000 1.374 135 G CA -0.535 44.530 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 4.115 4.170 -0.000 0.000 0.252 136 I C 2.043 178.153 176.117 -0.012 0.000 1.142 136 I CA 0.542 61.833 61.300 -0.014 0.000 1.451 136 I CB 0.021 38.022 38.000 0.001 0.000 1.093 136 I HN 0.215 nan 8.210 nan 0.000 0.430 137 I N 2.073 122.638 120.570 -0.008 0.000 2.333 137 I HA -0.050 4.120 4.170 -0.000 0.000 0.246 137 I C -0.416 175.716 176.117 0.024 0.000 1.106 137 I CA 1.089 62.402 61.300 0.022 0.000 1.411 137 I CB -2.909 35.123 38.000 0.052 0.000 1.082 137 I HN 0.202 nan 8.210 nan 0.000 0.420 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.336 177.561 177.300 -0.125 0.000 1.184 138 P CA 0.832 63.791 63.100 -0.236 0.000 0.760 138 P CB 0.032 31.199 31.700 -0.889 0.000 0.884 139 R N -0.307 120.166 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.158 4.340 -0.000 0.000 0.228 139 R C -0.307 176.008 176.300 0.024 0.000 1.421 139 R CA -1.071 55.020 56.100 -0.015 0.000 1.073 139 R CB 1.047 31.331 30.300 -0.027 0.000 1.568 139 R HN -0.099 nan 8.270 nan 0.000 0.514 140 I N -2.059 118.524 120.570 0.023 0.000 2.882 140 I HA 0.212 4.382 4.170 -0.000 0.000 0.298 140 I C -0.985 175.144 176.117 0.021 0.000 1.462 140 I CA -0.331 60.985 61.300 0.028 0.000 1.000 140 I CB 2.513 40.536 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.706 118.416 115.700 0.017 0.000 2.599 141 S HA 0.124 4.594 4.470 -0.000 0.000 0.303 141 S C -0.090 174.516 174.600 0.011 0.000 1.267 141 S CA -0.266 57.941 58.200 0.012 0.000 1.055 141 S CB 0.204 63.410 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.282 125.199 119.914 0.007 0.000 2.485 142 V HA 0.085 4.205 4.120 -0.000 0.000 0.287 142 V C 1.148 177.238 176.094 -0.006 0.000 1.022 142 V CA 0.898 63.200 62.300 0.002 0.000 1.067 142 V CB 0.563 32.385 31.823 -0.003 0.000 0.967 142 V HN 0.832 nan 8.190 nan 0.000 0.479 143 R N 2.139 122.632 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.559 4.340 -0.000 0.000 0.237 143 R C 0.080 176.354 176.300 -0.043 0.000 0.917 143 R CA -0.194 55.894 56.100 -0.020 0.000 1.002 143 R CB 0.736 31.030 30.300 -0.010 0.000 1.428 143 R HN 0.684 nan 8.270 nan 0.000 0.603 144 E N 2.588 122.751 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.532 4.350 -0.000 0.000 0.283 144 E C -2.474 174.048 176.600 -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 -0.108 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 0.201 63.222 63.100 -0.132 0.000 0.772 145 P CB 0.452 32.079 31.700 -0.122 0.000 0.855 146 M N 3.294 122.807 119.600 -0.145 0.000 2.018 146 M HA 0.170 4.649 4.480 -0.000 0.000 0.311 146 M C -0.727 175.507 176.300 -0.110 0.000 0.928 146 M CA -0.293 54.915 55.300 -0.153 0.000 0.911 146 M CB 0.673 33.208 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.107 121.835 119.800 -0.121 0.000 2.243 147 Q HA 0.340 4.680 4.340 -0.000 0.000 0.252 147 Q C 0.956 176.968 176.000 0.019 0.000 0.909 147 Q CA -0.190 55.597 55.803 -0.026 0.000 0.922 147 Q CB 1.417 30.172 28.738 0.028 0.000 1.215 147 Q HN 0.760 nan 8.270 nan 0.000 0.427 148 T N -1.973 112.591 114.554 0.018 0.000 3.010 148 T HA 0.200 4.550 4.350 -0.000 0.000 0.252 148 T C 1.244 175.965 174.700 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 1.349 110.170 108.800 0.035 0.000 2.179 149 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 149 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 149 G C -0.044 174.864 174.900 0.013 0.000 0.990 149 G CA -0.149 44.968 45.100 0.029 0.000 0.646 149 G HN 0.631 nan 8.290 nan 0.000 0.517 150 I N 2.480 123.055 120.570 0.009 0.000 2.304 150 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 150 I C 1.784 177.906 176.117 0.008 0.000 1.018 150 I CA -0.715 60.586 61.300 0.003 0.000 1.260 150 I CB 1.290 39.287 38.000 -0.005 0.000 1.390 150 I HN 0.173 nan 8.210 nan 0.000 0.475 151 K N 5.717 126.123 120.400 0.011 0.000 2.009 151 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 151 K C 1.897 178.505 176.600 0.013 0.000 1.049 151 K CA 1.610 57.906 56.287 0.015 0.000 0.929 151 K CB -0.586 31.926 32.500 0.019 0.000 0.714 151 K HN 0.652 nan 8.250 nan 0.000 0.440 152 A N 1.964 124.791 122.820 0.012 0.000 1.903 152 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 152 A C 2.588 180.181 177.584 0.014 0.000 1.191 152 A CA 2.256 54.302 52.037 0.015 0.000 0.638 152 A CB -0.976 18.035 19.000 0.018 0.000 0.823 152 A HN 0.164 nan 8.150 nan 0.000 0.451 153 V N 0.386 120.305 119.914 0.009 0.000 2.244 153 V HA -0.226 3.894 4.120 -0.000 0.000 0.244 153 V C 2.201 178.297 176.094 0.003 0.000 1.042 153 V CA 2.245 64.547 62.300 0.004 0.000 1.006 153 V CB -0.953 30.868 31.823 -0.003 0.000 0.641 153 V HN 0.489 nan 8.190 nan 0.000 0.446 154 D N 0.526 120.929 120.400 0.004 0.000 2.228 154 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 154 D C 2.320 178.624 176.300 0.007 0.000 0.988 154 D CA 1.854 55.857 54.000 0.004 0.000 0.864 154 D CB -0.113 40.693 40.800 0.010 0.000 0.928 154 D HN 0.636 nan 8.370 nan 0.000 0.469 155 S N -1.257 114.449 115.700 0.011 0.000 2.492 155 S HA 0.136 4.606 4.470 -0.000 0.000 0.218 155 S C 1.731 176.337 174.600 0.011 0.000 1.016 155 S CA -0.101 58.106 58.200 0.012 0.000 0.916 155 S CB 0.248 63.458 63.200 0.016 0.000 0.791 155 S HN 0.183 nan 8.310 nan 0.000 0.513 156 L N 0.761 121.992 121.223 0.013 0.000 2.920 156 L HA 0.437 4.777 4.340 -0.000 0.000 0.257 156 L C -0.406 176.474 176.870 0.017 0.000 1.150 156 L CA -0.047 54.803 54.840 0.016 0.000 0.959 156 L CB 1.424 43.496 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.055 119.866 119.914 0.011 0.000 2.719 157 V HA 0.206 4.326 4.120 -0.000 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 0.256 32.085 31.823 0.009 0.000 1.416 157 V HN -0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.101 nan 4.420 nan 0.000 0.261 158 P C -0.551 176.738 177.300 -0.020 0.000 1.173 158 P CA 0.620 63.712 63.100 -0.012 0.000 0.760 158 P CB 0.938 32.632 31.700 -0.011 0.000 0.783 159 I N 2.441 122.994 120.570 -0.029 0.000 2.441 159 I HA 0.513 4.683 4.170 -0.000 0.000 0.295 159 I C 1.060 177.149 176.117 -0.047 0.000 0.994 159 I CA -0.610 60.669 61.300 -0.036 0.000 1.144 159 I CB 1.111 39.087 38.000 -0.040 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 5.282 114.057 108.800 -0.043 0.000 2.489 160 G HA2 0.572 4.532 3.960 -0.000 0.000 0.327 160 G HA3 0.572 4.532 3.960 -0.000 0.000 0.327 160 G C -0.429 174.442 174.900 -0.048 0.000 1.189 160 G CA -0.934 44.135 45.100 -0.052 0.000 0.962 160 G HN 0.512 nan 8.290 nan 0.000 0.486 161 R N -0.122 120.344 120.500 -0.057 0.000 2.347 161 R HA 0.429 4.769 4.340 -0.000 0.000 0.304 161 R C 1.073 177.382 176.300 0.015 0.000 1.072 161 R CA 0.813 56.898 56.100 -0.025 0.000 0.980 161 R CB 0.925 31.203 30.300 -0.037 0.000 0.986 161 R HN 1.131 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 -0.287 3.673 3.960 -0.000 0.000 0.217 162 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 162 G C 0.239 175.142 174.900 0.006 0.000 0.996 162 G CA -0.058 45.055 45.100 0.022 0.000 0.632 162 G HN 0.591 nan 8.290 nan 0.000 0.503 163 Q N 0.304 120.102 119.800 -0.004 0.000 2.417 163 Q HA 0.600 4.940 4.340 -0.000 0.000 0.241 163 Q C -0.156 175.836 176.000 -0.014 0.000 1.008 163 Q CA -0.161 55.636 55.803 -0.010 0.000 0.901 163 Q CB 0.321 29.048 28.738 -0.018 0.000 1.259 163 Q HN 0.309 nan 8.270 nan 0.000 0.489 164 R N 2.330 122.821 120.500 -0.015 0.000 2.352 164 R HA 0.262 4.602 4.340 -0.000 0.000 0.304 164 R C -1.468 174.812 176.300 -0.034 0.000 1.104 164 R CA -0.473 55.616 56.100 -0.020 0.000 0.991 164 R CB 1.316 31.608 30.300 -0.015 0.000 1.140 164 R HN 0.457 nan 8.270 nan 0.000 0.540 165 E N 2.559 122.732 120.200 -0.045 0.000 2.145 165 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 165 E C -1.262 175.287 176.600 -0.084 0.000 0.906 165 E CA -0.860 55.503 56.400 -0.061 0.000 0.761 165 E CB 0.965 30.632 29.700 -0.055 0.000 1.116 165 E HN 0.388 nan 8.360 nan 0.000 0.408 166 L N 5.294 126.447 121.223 -0.115 0.000 2.350 166 L HA 0.500 4.840 4.340 -0.000 0.000 0.275 166 L C -0.910 175.852 176.870 -0.180 0.000 1.099 166 L CA -0.129 54.624 54.840 -0.144 0.000 0.808 166 L CB 0.686 42.644 42.059 -0.169 0.000 1.149 166 L HN 0.650 nan 8.230 nan 0.000 0.442 167 I N 6.613 127.094 120.570 -0.148 0.000 2.312 167 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 167 I C -0.313 175.708 176.117 -0.159 0.000 1.008 167 I CA -0.108 61.105 61.300 -0.145 0.000 1.226 167 I CB 1.258 39.204 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.274 125.716 120.570 -0.213 0.000 2.730 168 I HA 0.928 5.097 4.170 -0.000 0.000 0.298 168 I C -0.230 175.856 176.117 -0.053 0.000 1.089 168 I CA -0.037 61.171 61.300 -0.153 0.000 1.041 168 I CB 2.058 39.910 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 0.198 4.158 3.960 -0.000 0.000 0.295 169 G HA3 0.198 4.158 3.960 -0.000 0.000 0.295 169 G C -1.907 173.007 174.900 0.024 0.000 1.369 169 G CA -0.708 44.417 45.100 0.041 0.000 0.821 169 G HN 0.509 nan 8.290 nan 0.000 0.536 170 D N 0.033 120.446 120.400 0.022 0.000 2.414 170 D HA 0.340 4.980 4.640 -0.000 0.000 0.259 170 D C 1.131 177.421 176.300 -0.016 0.000 1.269 170 D CA -0.159 53.849 54.000 0.013 0.000 1.028 170 D CB 0.410 41.223 40.800 0.021 0.000 1.093 170 D HN 0.670 nan 8.370 nan 0.000 0.545 171 R N 0.105 120.598 120.500 -0.011 0.000 2.734 171 R HA 0.031 4.371 4.340 -0.000 0.000 0.266 171 R C -0.101 176.157 176.300 -0.069 0.000 1.044 171 R CA -0.328 55.758 56.100 -0.024 0.000 1.128 171 R CB 0.049 30.347 30.300 -0.005 0.000 1.010 171 R HN 0.170 nan 8.270 nan 0.000 0.461 172 Q N 0.250 119.996 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.178 4.340 -0.000 0.000 0.332 172 Q C -0.088 175.700 176.000 -0.353 0.000 1.355 172 Q CA 1.660 57.360 55.803 -0.171 0.000 0.947 172 Q CB -1.406 27.257 28.738 -0.125 0.000 1.189 172 Q HN 0.990 nan 8.270 nan 0.000 0.418 173 T N -4.986 109.385 114.554 -0.305 0.000 2.985 173 T HA 0.431 4.781 4.350 -0.000 0.000 0.254 173 T C 1.193 175.724 174.700 -0.282 0.000 1.021 173 T CA 0.518 62.383 62.100 -0.390 0.000 0.957 173 T CB 1.188 69.958 68.868 -0.164 0.000 1.047 173 T HN 0.652 nan 8.240 nan 0.000 0.511 174 G N 1.685 110.381 108.800 -0.173 0.000 2.183 174 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.168 174 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.168 174 G C 0.770 175.653 174.900 -0.029 0.000 1.008 174 G CA 0.124 45.195 45.100 -0.048 0.000 0.677 174 G HN 0.417 nan 8.290 nan 0.000 0.498 175 K N 0.097 120.474 120.400 -0.038 0.000 1.987 175 K HA -0.091 4.229 4.320 -0.000 0.000 0.216 175 K C 2.534 179.132 176.600 -0.005 0.000 1.051 175 K CA 2.147 58.419 56.287 -0.026 0.000 0.942 175 K CB -0.426 32.056 32.500 -0.031 0.000 0.722 175 K HN 0.286 nan 8.250 nan 0.000 0.444 176 T N 0.907 115.470 114.554 0.016 0.000 2.833 176 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 176 T C 2.052 176.769 174.700 0.028 0.000 1.054 176 T CA 1.410 63.549 62.100 0.064 0.000 1.135 176 T CB -0.188 68.740 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.484 117.175 115.700 -0.015 0.000 2.359 177 S HA -0.086 4.384 4.470 -0.000 0.000 0.224 177 S C 2.037 176.598 174.600 -0.065 0.000 1.035 177 S CA 0.833 58.989 58.200 -0.073 0.000 1.018 177 S CB -0.396 62.742 63.200 -0.103 0.000 0.876 177 S HN 0.318 nan 8.310 nan 0.000 0.448 178 I N 2.394 122.943 120.570 -0.036 0.000 2.113 178 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 178 I C 2.766 178.876 176.117 -0.011 0.000 1.064 178 I CA 1.581 62.865 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 1.305 124.133 122.820 0.014 0.000 1.865 179 A HA -0.201 4.119 4.320 -0.000 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 0.046 0.000 0.623 179 A CB -0.741 18.326 19.000 0.112 0.000 0.826 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.448 121.035 120.570 0.028 0.000 2.091 180 I HA -0.251 3.918 4.170 -0.000 0.000 0.239 180 I C 2.041 178.161 176.117 0.006 0.000 1.061 180 I CA 2.061 63.362 61.300 0.001 0.000 1.317 180 I CB -1.776 36.214 38.000 -0.017 0.000 1.031 180 I HN 0.297 nan 8.210 nan 0.000 0.401 181 D N 0.591 120.969 120.400 -0.037 0.000 2.149 181 D HA -0.173 4.466 4.640 -0.000 0.000 0.194 181 D C 2.181 178.493 176.300 0.020 0.000 1.001 181 D CA 1.779 55.764 54.000 -0.026 0.000 0.849 181 D CB -0.349 40.413 40.800 -0.063 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.626 115.193 114.554 0.021 0.000 2.684 182 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 182 T C 2.161 176.906 174.700 0.075 0.000 1.036 182 T CA 0.828 62.951 62.100 0.038 0.000 1.148 182 T CB -0.278 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 -0.169 4.001 4.170 -0.000 0.000 0.240 183 I C 2.344 178.603 176.117 0.236 0.000 1.078 183 I CA 1.048 62.442 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 0.195 nan 8.210 nan 0.000 0.405 184 I N 1.103 121.760 120.570 0.145 0.000 2.113 184 I HA -0.375 3.794 4.170 -0.000 0.000 0.242 184 I C 2.342 178.558 176.117 0.166 0.000 1.064 184 I CA 2.047 63.440 61.300 0.155 0.000 1.320 184 I CB -1.724 36.336 38.000 0.101 0.000 1.028 184 I HN 0.383 nan 8.210 nan 0.000 0.406 185 N N 0.980 119.740 118.700 0.101 0.000 2.184 185 N HA -0.243 4.497 4.740 -0.000 0.000 0.190 185 N C 1.591 177.121 175.510 0.033 0.000 1.011 185 N CA 1.277 54.360 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 0.109 119.949 119.800 0.065 0.000 2.541 186 Q HA -0.055 4.285 4.340 -0.000 0.000 0.215 186 Q C 1.487 177.280 176.000 -0.345 0.000 0.977 186 Q CA 0.504 56.293 55.803 -0.024 0.000 0.934 186 Q CB -0.126 28.490 28.738 -0.202 0.000 0.988 186 Q HN 0.534 nan 8.270 nan 0.000 0.521 187 K N 1.144 121.395 120.400 -0.247 0.000 2.155 187 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 187 K C 1.734 178.160 176.600 -0.290 0.000 1.052 187 K CA 0.541 56.701 56.287 -0.210 0.000 0.948 187 K CB 0.209 32.752 32.500 0.072 0.000 0.728 187 K HN 0.150 nan 8.250 nan 0.000 0.448 188 R N -0.415 119.806 120.500 -0.465 0.000 2.117 188 R HA -0.155 4.184 4.340 -0.000 0.000 0.243 188 R C 1.875 177.762 176.300 -0.689 0.000 1.143 188 R CA 1.758 57.467 56.100 -0.652 0.000 0.968 188 R CB -0.435 29.276 30.300 -0.981 0.000 0.863 188 R HN 0.206 nan 8.270 nan 0.000 0.444 189 F N 0.297 120.142 119.950 -0.174 0.000 2.530 189 F HA 0.183 4.710 4.527 -0.000 0.000 0.292 189 F C 1.744 177.417 175.800 -0.211 0.000 1.109 189 F CA -0.030 57.864 58.000 -0.178 0.000 1.450 189 F CB -0.279 38.603 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.242 118.841 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 190 N C 0.747 176.203 175.510 -0.090 0.000 1.076 190 N CA 0.888 53.809 53.050 -0.216 0.000 0.908 190 N CB -0.223 37.963 38.487 -0.502 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.506 119.844 120.400 -0.084 0.000 2.360 191 D HA 0.107 4.747 4.640 -0.000 0.000 0.210 191 D C 1.087 177.370 176.300 -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 41.010 40.800 -0.043 0.000 0.936 191 D HN 0.089 nan 8.370 nan 0.000 0.514 192 G N -0.159 108.619 108.800 -0.036 0.000 2.616 192 G HA2 0.268 4.228 3.960 -0.000 0.000 0.268 192 G HA3 0.268 4.228 3.960 -0.000 0.000 0.268 192 G C 1.059 175.964 174.900 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 -1.249 113.314 114.554 0.015 0.000 3.010 193 T HA 0.021 4.371 4.350 -0.000 0.000 0.252 193 T C 0.874 175.592 174.700 0.029 0.000 1.047 193 T CA 0.442 62.556 62.100 0.022 0.000 1.140 193 T CB -0.029 68.848 68.868 0.016 0.000 0.885 193 T HN 0.449 nan 8.240 nan 0.000 0.464 194 D N 2.334 122.752 120.400 0.029 0.000 2.368 194 D HA 0.033 4.672 4.640 -0.000 0.000 0.268 194 D C 0.614 176.934 176.300 0.033 0.000 1.298 194 D CA 0.112 54.129 54.000 0.028 0.000 0.938 194 D CB 0.597 41.413 40.800 0.026 0.000 1.101 194 D HN 0.311 nan 8.370 nan 0.000 0.509 195 E N 2.129 122.357 120.200 0.046 0.000 2.511 195 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 195 E C 0.988 177.637 176.600 0.081 0.000 1.066 195 E CA 0.460 56.901 56.400 0.069 0.000 0.871 195 E CB 0.321 30.076 29.700 0.090 0.000 0.863 195 E HN 0.336 nan 8.360 nan 0.000 0.520 196 K N -0.306 120.125 120.400 0.052 0.000 2.387 196 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 196 K C 1.012 177.570 176.600 -0.070 0.000 1.022 196 K CA 0.199 56.523 56.287 0.063 0.000 1.128 196 K CB 0.522 33.054 32.500 0.053 0.000 0.853 196 K HN -0.106 nan 8.250 nan 0.000 0.523 197 K N 0.243 120.588 120.400 -0.092 0.000 2.380 197 K HA 0.117 4.436 4.320 -0.000 0.000 0.198 197 K C -0.265 176.190 176.600 -0.242 0.000 1.070 197 K CA 0.051 56.199 56.287 -0.231 0.000 1.040 197 K CB 0.774 33.175 32.500 -0.164 0.000 0.903 197 K HN -0.018 nan 8.250 nan 0.000 0.549 198 K N 1.535 121.856 120.400 -0.132 0.000 2.382 198 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 198 K C -0.551 175.848 176.600 -0.334 0.000 1.009 198 K CA -0.139 56.007 56.287 -0.235 0.000 0.970 198 K CB 0.597 32.957 32.500 -0.233 0.000 0.934 198 K HN -0.155 nan 8.250 nan 0.000 0.479 199 L N 3.956 124.892 121.223 -0.478 0.000 2.415 199 L HA 0.284 4.624 4.340 -0.000 0.000 0.268 199 L C -1.550 174.996 176.870 -0.540 0.000 0.984 199 L CA -0.510 54.095 54.840 -0.392 0.000 0.853 199 L CB 0.635 42.541 42.059 -0.255 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.111 123.277 120.300 -0.224 0.000 2.411 200 Y HA 0.343 4.893 4.550 -0.000 0.000 0.333 200 Y C 0.718 176.518 175.900 -0.167 0.000 1.186 200 Y CA 0.120 58.047 58.100 -0.288 0.000 1.381 200 Y CB 0.664 38.569 38.460 -0.926 0.000 1.273 200 Y HN 0.507 nan 8.280 nan 0.000 0.546 201 C N 4.335 123.703 119.300 0.113 0.000 2.391 201 C HA 0.700 5.159 4.460 -0.000 0.000 0.339 201 C C -0.136 174.891 174.990 0.062 0.000 1.205 201 C CA -0.961 58.108 59.018 0.084 0.000 1.937 201 C CB 0.130 27.965 27.740 0.157 0.000 2.341 201 C HN 0.595 nan 8.230 nan 0.000 0.516 202 I N 2.357 122.944 120.570 0.030 0.000 2.447 202 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 202 I C -0.879 175.250 176.117 0.020 0.000 1.023 202 I CA -0.259 61.059 61.300 0.029 0.000 1.083 202 I CB 1.038 39.040 38.000 0.003 0.000 1.245 202 I HN 0.618 nan 8.210 nan 0.000 0.434 203 Y N 6.930 127.193 120.300 -0.061 0.000 2.328 203 Y HA 0.703 5.252 4.550 -0.000 0.000 0.333 203 Y C -0.997 174.872 175.900 -0.051 0.000 0.958 203 Y CA -0.852 57.205 58.100 -0.071 0.000 1.167 203 Y CB 1.247 39.679 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.888 125.538 119.914 -0.441 0.000 2.394 204 V HA 0.729 4.849 4.120 -0.000 0.000 0.282 204 V C -0.108 175.760 176.094 -0.377 0.000 1.031 204 V CA -0.637 61.515 62.300 -0.246 0.000 0.881 204 V CB 0.979 32.743 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.944 129.705 122.820 -0.100 0.000 2.267 205 A HA 0.861 5.181 4.320 -0.000 0.000 0.315 205 A C -0.607 176.980 177.584 0.004 0.000 1.297 205 A CA -0.414 51.620 52.037 -0.005 0.000 0.865 205 A CB 0.236 19.357 19.000 0.201 0.000 1.165 205 A HN 0.803 nan 8.150 nan 0.000 0.513 206 I N 2.066 122.626 120.570 -0.015 0.000 2.389 206 I HA 0.569 4.739 4.170 -0.000 0.000 0.288 206 I C 1.167 177.293 176.117 0.015 0.000 0.999 206 I CA -0.099 61.200 61.300 -0.001 0.000 1.129 206 I CB 1.759 39.748 38.000 -0.018 0.000 1.288 206 I HN 0.942 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 3.704 3.960 -0.000 0.000 0.264 207 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 207 G C 0.280 175.200 174.900 0.033 0.000 0.975 207 G CA -0.131 44.987 45.100 0.030 0.000 0.642 207 G HN 0.639 nan 8.290 nan 0.000 0.536 208 Q N 0.362 120.186 119.800 0.040 0.000 2.443 208 Q HA 0.444 4.784 4.340 -0.000 0.000 0.232 208 Q C 0.857 176.882 176.000 0.041 0.000 1.026 208 Q CA 0.249 56.080 55.803 0.048 0.000 0.924 208 Q CB 0.479 29.261 28.738 0.072 0.000 1.256 208 Q HN 0.650 nan 8.270 nan 0.000 0.519 209 K N 0.503 120.926 120.400 0.037 0.000 2.118 209 K HA 0.237 4.557 4.320 -0.000 0.000 0.264 209 K C 0.349 176.968 176.600 0.031 0.000 1.000 209 K CA -0.553 55.752 56.287 0.030 0.000 0.929 209 K CB 1.066 33.581 32.500 0.025 0.000 1.021 209 K HN 0.419 nan 8.250 nan 0.000 0.463 210 R N 0.913 121.429 120.500 0.026 0.000 2.127 210 R HA -0.125 4.214 4.340 -0.000 0.000 0.238 210 R C 1.933 178.245 176.300 0.019 0.000 1.134 210 R CA 1.824 57.938 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 0.444 116.154 115.700 0.017 0.000 2.399 211 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 211 S C 1.916 176.523 174.600 0.011 0.000 1.022 211 S CA 1.712 59.919 58.200 0.012 0.000 0.983 211 S CB -0.362 62.845 63.200 0.012 0.000 0.803 211 S HN 0.313 nan 8.310 nan 0.000 0.480 212 T N 2.443 117.008 114.554 0.019 0.000 2.777 212 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 212 T C 1.996 176.701 174.700 0.010 0.000 1.040 212 T CA 1.298 63.410 62.100 0.021 0.000 1.141 212 T CB -0.450 68.440 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.843 121.770 119.914 0.020 0.000 2.307 213 V HA -0.119 4.001 4.120 -0.000 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 -1.337 30.513 31.823 0.046 0.000 0.651 213 V HN 0.504 nan 8.190 nan 0.000 0.449 214 A N -0.555 122.260 122.820 -0.009 0.000 1.892 214 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 214 A C 2.214 179.781 177.584 -0.030 0.000 1.188 214 A CA 1.908 53.935 52.037 -0.017 0.000 0.631 214 A CB -0.529 18.466 19.000 -0.008 0.000 0.822 214 A HN 0.546 nan 8.150 nan 0.000 0.447 215 Q N -0.876 118.910 119.800 -0.024 0.000 2.124 215 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 215 Q C 2.139 178.109 176.000 -0.050 0.000 0.977 215 Q CA 1.018 56.803 55.803 -0.031 0.000 0.850 215 Q CB -0.514 28.216 28.738 -0.014 0.000 0.901 215 Q HN 0.623 nan 8.270 nan 0.000 0.429 216 L N 1.147 122.331 121.223 -0.066 0.000 1.976 216 L HA -0.134 4.205 4.340 -0.000 0.000 0.209 216 L C 2.499 179.288 176.870 -0.135 0.000 1.071 216 L CA 1.970 56.736 54.840 -0.123 0.000 0.746 216 L CB -1.205 40.735 42.059 -0.198 0.000 0.890 216 L HN 0.186 nan 8.230 nan 0.000 0.432 217 V N -1.599 118.246 119.914 -0.116 0.000 2.469 217 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 217 V C 2.663 178.706 176.094 -0.086 0.000 1.064 217 V CA 2.038 64.277 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 4.045 4.320 -0.000 0.000 0.210 218 K C 2.476 179.027 176.600 -0.083 0.000 1.047 218 K CA 2.138 58.384 56.287 -0.069 0.000 0.932 218 K CB -0.332 32.131 32.500 -0.061 0.000 0.716 218 K HN 0.409 nan 8.250 nan 0.000 0.439 219 R N 1.166 121.611 120.500 -0.091 0.000 2.103 219 R HA -0.088 4.252 4.340 -0.000 0.000 0.242 219 R C 2.289 178.541 176.300 -0.080 0.000 1.142 219 R CA 1.470 57.507 56.100 -0.104 0.000 0.960 219 R CB -0.689 29.566 30.300 -0.075 0.000 0.858 219 R HN 0.314 nan 8.270 nan 0.000 0.439 220 L N -0.956 120.214 121.223 -0.087 0.000 2.093 220 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 220 L C 2.134 178.940 176.870 -0.107 0.000 1.085 220 L CA 1.721 56.499 54.840 -0.103 0.000 0.755 220 L CB -0.534 41.439 42.059 -0.143 0.000 0.904 220 L HN 0.261 nan 8.230 nan 0.000 0.435 221 T N -0.994 113.504 114.554 -0.094 0.000 2.708 221 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 221 T C 1.402 176.061 174.700 -0.068 0.000 1.037 221 T CA 1.490 63.541 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 1.441 121.800 120.400 -0.069 0.000 2.228 222 D HA -0.033 4.607 4.640 -0.000 0.000 0.203 222 D C 1.796 178.065 176.300 -0.053 0.000 0.988 222 D CA 1.011 54.973 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 -0.110 122.679 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.442 4.320 -0.000 0.000 0.224 223 A C 0.335 177.906 177.584 -0.021 0.000 1.227 223 A CA 0.233 52.256 52.037 -0.024 0.000 0.885 223 A CB 0.276 19.278 19.000 0.003 0.000 0.933 223 A HN 0.007 nan 8.150 nan 0.000 0.506 224 D N -2.285 118.087 120.400 -0.048 0.000 2.716 224 D HA -0.182 4.458 4.640 -0.000 0.000 0.239 224 D C 0.591 176.836 176.300 -0.092 0.000 1.125 224 D CA 1.015 54.988 54.000 -0.045 0.000 0.681 224 D CB -1.259 39.541 40.800 -0.000 0.000 1.070 224 D HN 0.526 nan 8.370 nan 0.000 0.432 225 A N -0.169 122.505 122.820 -0.244 0.000 2.419 225 A HA 0.196 4.516 4.320 -0.000 0.000 0.233 225 A C 1.983 179.106 177.584 -0.768 0.000 1.217 225 A CA 0.086 51.710 52.037 -0.688 0.000 0.944 225 A CB 0.114 18.840 19.000 -0.457 0.000 1.025 225 A HN 0.280 nan 8.150 nan 0.000 0.524 226 M N 1.225 120.609 119.600 -0.360 0.000 2.296 226 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 226 M C 2.022 178.208 176.300 -0.190 0.000 1.064 226 M CA 1.662 56.819 55.300 -0.239 0.000 1.109 226 M CB -0.894 31.629 32.600 -0.129 0.000 1.396 226 M HN 0.686 nan 8.290 nan 0.000 0.430 227 K N 0.610 120.911 120.400 -0.165 0.000 2.074 227 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 227 K C 1.137 177.785 176.600 0.081 0.000 1.048 227 K CA 1.926 58.208 56.287 -0.008 0.000 0.926 227 K CB -0.980 31.561 32.500 0.068 0.000 0.713 227 K HN 0.502 nan 8.250 nan 0.000 0.444 228 Y N 0.610 120.954 120.300 0.073 0.000 2.625 228 Y HA 0.464 5.014 4.550 -0.000 0.000 0.285 228 Y C -0.377 175.577 175.900 0.091 0.000 1.168 228 Y CA -0.932 57.238 58.100 0.116 0.000 1.250 228 Y CB 0.062 38.540 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.014 116.543 114.554 -0.041 0.000 2.893 229 T HA 0.626 4.976 4.350 -0.000 0.000 0.291 229 T C -0.660 174.059 174.700 0.031 0.000 1.028 229 T CA -0.528 61.564 62.100 -0.012 0.000 0.995 229 T CB 1.958 70.747 68.868 -0.131 0.000 1.051 229 T HN 0.142 nan 8.240 nan 0.000 0.470 230 I N 1.835 122.443 120.570 0.064 0.000 2.474 230 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 230 I C -0.777 175.384 176.117 0.074 0.000 1.005 230 I CA -1.087 60.255 61.300 0.071 0.000 1.113 230 I CB 2.079 40.137 38.000 0.097 0.000 1.289 230 I HN 0.227 nan 8.210 nan 0.000 0.436 231 V N 6.685 126.639 119.914 0.066 0.000 2.378 231 V HA 0.332 4.451 4.120 -0.000 0.000 0.288 231 V C -0.136 176.010 176.094 0.087 0.000 1.016 231 V CA -0.679 61.681 62.300 0.100 0.000 0.840 231 V CB 1.781 33.653 31.823 0.082 0.000 0.994 231 V HN 0.389 nan 8.190 nan 0.000 0.431 232 V N 3.920 123.886 119.914 0.087 0.000 2.407 232 V HA 0.534 4.654 4.120 -0.000 0.000 0.278 232 V C 0.330 176.463 176.094 0.065 0.000 1.037 232 V CA -0.105 62.230 62.300 0.059 0.000 0.900 232 V CB 1.671 33.519 31.823 0.042 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.459 233 S N 3.886 119.621 115.700 0.059 0.000 2.659 233 S HA 0.734 5.204 4.470 -0.000 0.000 0.312 233 S C -0.258 174.369 174.600 0.044 0.000 1.114 233 S CA -0.240 57.997 58.200 0.061 0.000 1.063 233 S CB 1.054 64.295 63.200 0.069 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.433 127.274 122.820 0.034 0.000 2.511 234 A HA 0.608 4.928 4.320 -0.000 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 -0.157 18.852 19.000 0.015 0.000 1.145 234 A HN 0.855 nan 8.150 nan 0.000 0.497 235 T N -1.238 113.335 114.554 0.031 0.000 2.824 235 T HA 0.552 4.902 4.350 -0.000 0.000 0.277 235 T C 1.623 176.338 174.700 0.025 0.000 0.975 235 T CA 0.017 62.136 62.100 0.031 0.000 0.966 235 T CB 1.108 69.996 68.868 0.034 0.000 1.054 235 T HN 1.155 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 4.132 4.320 -0.000 0.000 0.221 236 A C 2.459 180.053 177.584 0.017 0.000 1.211 236 A CA 2.891 54.942 52.037 0.022 0.000 0.657 236 A CB -1.664 17.349 19.000 0.022 0.000 0.827 236 A HN 1.374 nan 8.150 nan 0.000 0.462 237 S N -0.966 114.744 115.700 0.016 0.000 2.593 237 S HA 0.109 4.579 4.470 -0.000 0.000 0.217 237 S C -0.148 174.459 174.600 0.011 0.000 0.966 237 S CA -0.057 58.151 58.200 0.013 0.000 0.914 237 S CB -0.237 62.971 63.200 0.013 0.000 0.776 237 S HN 0.421 nan 8.310 nan 0.000 0.523 238 D N 2.807 123.214 120.400 0.011 0.000 2.256 238 D HA 0.550 5.190 4.640 -0.000 0.000 0.250 238 D C 0.394 176.689 176.300 -0.009 0.000 1.093 238 D CA 0.033 54.037 54.000 0.006 0.000 0.882 238 D CB 1.494 42.299 40.800 0.009 0.000 1.185 238 D HN 0.422 nan 8.370 nan 0.000 0.437 239 A N 1.864 124.671 122.820 -0.022 0.000 2.613 239 A HA 0.195 4.515 4.320 -0.000 0.000 0.230 239 A C 1.570 179.117 177.584 -0.061 0.000 1.051 239 A CA 0.604 52.614 52.037 -0.044 0.000 0.754 239 A CB 0.072 19.036 19.000 -0.061 0.000 0.979 239 A HN 0.684 nan 8.150 nan 0.000 0.510 240 A N 3.692 126.485 122.820 -0.045 0.000 1.896 240 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 240 A C 0.218 177.796 177.584 -0.010 0.000 1.206 240 A CA 2.239 54.265 52.037 -0.018 0.000 0.647 240 A CB -1.893 17.095 19.000 -0.020 0.000 0.828 240 A HN 0.716 nan 8.150 nan 0.000 0.455 241 P HA -0.156 nan 4.420 nan 0.000 0.216 241 P C 1.455 178.653 177.300 -0.170 0.000 1.150 241 P CA 1.225 64.249 63.100 -0.127 0.000 0.843 241 P CB -0.259 31.148 31.700 -0.489 0.000 0.787 242 L N -0.724 120.329 121.223 -0.283 0.000 2.072 242 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 242 L C 2.889 179.741 176.870 -0.031 0.000 1.079 242 L CA 1.434 56.185 54.840 -0.148 0.000 0.752 242 L CB -1.247 40.752 42.059 -0.099 0.000 0.906 242 L HN -0.056 nan 8.230 nan 0.000 0.436 243 Q N -0.884 118.917 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 243 Q C 2.143 178.193 176.000 0.084 0.000 0.977 243 Q CA 1.831 57.657 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 1.544 121.849 120.300 0.008 0.000 2.089 244 Y HA -0.225 4.325 4.550 -0.000 0.000 0.282 244 Y C 1.837 177.803 175.900 0.109 0.000 1.139 244 Y CA 1.393 59.535 58.100 0.070 0.000 1.123 244 Y CB -0.587 37.935 38.460 0.103 0.000 0.980 244 Y HN -0.031 nan 8.280 nan 0.000 0.493 245 L N 0.219 121.253 121.223 -0.314 0.000 2.017 245 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 245 L C 2.875 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.245 55.923 54.840 -0.269 0.000 0.745 245 L CB -1.234 40.767 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.807 123.592 122.820 -0.058 0.000 1.920 246 A HA -0.276 4.044 4.320 -0.000 0.000 0.229 246 A C -0.069 177.481 177.584 -0.056 0.000 1.516 246 A CA 2.905 54.921 52.037 -0.034 0.000 0.714 246 A CB -2.371 16.618 19.000 -0.018 0.000 0.845 246 A HN 0.370 nan 8.150 nan 0.000 0.493 247 P HA -0.130 nan 4.420 nan 0.000 0.218 247 P C 0.998 178.138 177.300 -0.267 0.000 1.149 247 P CA 1.500 64.461 63.100 -0.231 0.000 0.817 247 P CB -0.271 31.033 31.700 -0.659 0.000 0.785 248 Y N 1.207 121.434 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.435 4.550 -0.000 0.000 0.292 248 Y C 2.971 178.853 175.900 -0.030 0.000 1.123 248 Y CA 1.729 59.768 58.100 -0.101 0.000 1.142 248 Y CB -1.525 36.827 38.460 -0.180 0.000 1.006 248 Y HN 0.039 nan 8.280 nan 0.000 0.518 249 S N -0.536 115.232 115.700 0.114 0.000 2.419 249 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 249 S C 2.248 176.892 174.600 0.074 0.000 1.016 249 S CA 1.157 59.405 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 0.062 108.906 108.800 0.073 0.000 2.430 250 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 250 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 250 G C 1.639 176.596 174.900 0.095 0.000 1.146 250 G CA 0.598 45.742 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 4.428 4.460 -0.000 0.000 0.277 251 C C 3.260 178.322 174.990 0.120 0.000 1.249 251 C CA 1.718 60.822 59.018 0.142 0.000 1.725 251 C CB -0.911 26.919 27.740 0.150 0.000 2.028 251 C HN 0.371 nan 8.230 nan 0.000 0.477 252 S N 0.326 116.090 115.700 0.108 0.000 2.359 252 S HA -0.268 4.202 4.470 -0.000 0.000 0.223 252 S C 1.754 176.416 174.600 0.104 0.000 1.039 252 S CA 2.293 60.548 58.200 0.091 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 0.609 120.267 119.600 0.097 0.000 2.108 253 M HA -0.146 4.334 4.480 -0.000 0.000 0.257 253 M C 2.239 178.685 176.300 0.243 0.000 1.071 253 M CA 1.693 57.059 55.300 0.110 0.000 1.093 253 M CB -0.642 32.021 32.600 0.104 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.957 107.988 108.800 0.243 0.000 2.572 254 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 254 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 254 G C 1.273 176.355 174.900 0.304 0.000 1.133 254 G CA 0.254 45.557 45.100 0.339 0.000 0.791 254 G HN 0.485 nan 8.290 nan 0.000 0.538 255 E N -0.458 119.859 120.200 0.195 0.000 2.107 255 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 255 E C 1.921 178.584 176.600 0.105 0.000 0.982 255 E CA 0.584 57.060 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 0.564 nan 8.360 nan 0.000 0.459 256 Y N 0.912 121.183 120.300 -0.048 0.000 2.151 256 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 256 Y C 1.672 177.439 175.900 -0.222 0.000 1.166 256 Y CA 1.633 59.621 58.100 -0.188 0.000 1.163 256 Y CB -0.453 37.814 38.460 -0.323 0.000 0.974 256 Y HN -0.074 nan 8.280 nan 0.000 0.511 257 F N 0.343 120.344 119.950 0.084 0.000 2.084 257 F HA -0.097 4.430 4.527 -0.000 0.000 0.296 257 F C 2.840 178.574 175.800 -0.110 0.000 1.111 257 F CA 1.905 59.877 58.000 -0.047 0.000 1.224 257 F CB -0.993 38.077 39.000 0.117 0.000 0.991 257 F HN -0.094 nan 8.300 nan 0.000 0.471 258 R N 0.868 121.456 120.500 0.147 0.000 2.136 258 R HA -0.237 4.102 4.340 -0.000 0.000 0.242 258 R C 1.781 178.055 176.300 -0.044 0.000 1.131 258 R CA 2.489 58.605 56.100 0.027 0.000 0.937 258 R CB -0.755 29.568 30.300 0.039 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.435 259 D N 0.324 120.690 120.400 -0.056 0.000 2.182 259 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 259 D C 0.483 176.719 176.300 -0.106 0.000 0.986 259 D CA 1.088 55.050 54.000 -0.064 0.000 0.847 259 D CB -0.378 40.381 40.800 -0.068 0.000 0.942 259 D HN 0.286 nan 8.370 nan 0.000 0.467 260 N N -0.332 118.245 118.700 -0.204 0.000 2.597 260 N HA 0.282 5.022 4.740 -0.000 0.000 0.269 260 N C 0.920 176.352 175.510 -0.129 0.000 1.204 260 N CA 0.366 53.288 53.050 -0.213 0.000 0.947 260 N CB 0.509 38.747 38.487 -0.415 0.000 1.258 260 N HN 0.106 nan 8.380 nan 0.000 0.508 261 G N -0.257 108.483 108.800 -0.100 0.000 2.186 261 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.266 261 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.266 261 G C 0.289 175.107 174.900 -0.136 0.000 0.982 261 G CA 0.563 45.605 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N -0.001 120.337 120.400 -0.102 0.000 2.139 262 K HA 0.573 4.893 4.320 -0.000 0.000 0.243 262 K C -0.087 176.414 176.600 -0.166 0.000 0.983 262 K CA -0.867 55.431 56.287 0.018 0.000 0.890 262 K CB 0.771 33.455 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.059 119.116 119.070 0.174 0.000 2.457 263 H HA 0.544 5.100 4.556 -0.000 0.000 0.335 263 H C -0.866 174.503 175.328 0.067 0.000 1.115 263 H CA -0.648 55.446 56.048 0.077 0.000 1.219 263 H CB 1.941 31.686 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.031 125.933 122.820 0.136 0.000 2.486 264 A HA 0.441 4.760 4.320 -0.000 0.000 0.300 264 A C -1.517 176.077 177.584 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 2.398 123.606 121.223 -0.025 0.000 2.307 265 L HA 0.826 5.166 4.340 -0.000 0.000 0.284 265 L C -0.851 175.974 176.870 -0.076 0.000 1.023 265 L CA -0.575 54.239 54.840 -0.044 0.000 0.810 265 L CB 1.141 43.178 42.059 -0.037 0.000 1.231 265 L HN 0.681 nan 8.230 nan 0.000 0.423 266 I N 4.986 125.466 120.570 -0.151 0.000 2.533 266 I HA 0.524 4.694 4.170 -0.000 0.000 0.290 266 I C -1.458 174.394 176.117 -0.441 0.000 1.056 266 I CA -0.602 60.517 61.300 -0.302 0.000 1.057 266 I CB 1.692 39.449 38.000 -0.406 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.067 128.374 120.570 -0.438 0.000 2.362 267 I HA 0.289 4.458 4.170 -0.000 0.000 0.289 267 I C -1.167 174.588 176.117 -0.602 0.000 0.994 267 I CA -0.212 60.835 61.300 -0.422 0.000 1.158 267 I CB 1.161 39.042 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 4.977 4.550 -0.000 0.000 0.341 268 Y C -0.022 175.691 175.900 -0.310 0.000 0.965 268 Y CA -0.799 57.120 58.100 -0.302 0.000 1.205 268 Y CB 0.665 38.963 38.460 -0.271 0.000 1.121 268 Y HN 0.404 nan 8.280 nan 0.000 0.507 269 D N 3.507 123.755 120.400 -0.254 0.000 2.454 269 D HA 0.254 4.894 4.640 -0.000 0.000 0.247 269 D C -1.217 175.022 176.300 -0.102 0.000 1.129 269 D CA -0.436 53.450 54.000 -0.189 0.000 0.877 269 D CB 0.696 41.324 40.800 -0.286 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.663 122.026 120.400 -0.062 0.000 2.414 270 D HA 0.322 4.962 4.640 -0.000 0.000 0.241 270 D C 1.277 177.521 176.300 -0.093 0.000 1.008 270 D CA -0.712 53.247 54.000 -0.069 0.000 1.001 270 D CB 1.963 42.737 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.291 121.422 121.223 -0.153 0.000 2.446 271 L HA -0.000 4.340 4.340 -0.000 0.000 0.219 271 L C 1.750 178.553 176.870 -0.112 0.000 1.116 271 L CA 0.427 55.112 54.840 -0.258 0.000 0.844 271 L CB -0.092 41.628 42.059 -0.565 0.000 0.970 271 L HN 0.350 nan 8.230 nan 0.000 0.457 272 S N 0.287 115.950 115.700 -0.062 0.000 2.345 272 S HA -0.148 4.322 4.470 -0.000 0.000 0.220 272 S C 1.906 176.543 174.600 0.062 0.000 1.031 272 S CA 1.224 59.431 58.200 0.010 0.000 0.996 272 S CB -0.033 63.174 63.200 0.011 0.000 0.882 272 S HN 0.370 nan 8.310 nan 0.000 0.445 273 K N 1.137 121.561 120.400 0.040 0.000 2.097 273 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 273 K C 2.421 179.072 176.600 0.086 0.000 1.049 273 K CA 0.999 57.323 56.287 0.061 0.000 0.933 273 K CB -0.179 32.343 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.903 120.747 119.800 0.073 0.000 2.119 274 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 274 Q C 2.068 178.188 176.000 0.202 0.000 0.972 274 Q CA 1.324 57.197 55.803 0.117 0.000 0.847 274 Q CB -0.060 28.712 28.738 0.057 0.000 0.903 274 Q HN 0.313 nan 8.270 nan 0.000 0.433 275 A N 0.247 123.193 122.820 0.210 0.000 1.908 275 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 275 A C 2.238 180.045 177.584 0.372 0.000 1.181 275 A CA 1.659 53.839 52.037 0.239 0.000 0.627 275 A CB -0.830 18.242 19.000 0.120 0.000 0.818 275 A HN 0.297 nan 8.150 nan 0.000 0.445 276 V N -0.180 119.907 119.914 0.288 0.000 2.343 276 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 276 V C 3.060 179.239 176.094 0.142 0.000 1.051 276 V CA 1.975 64.402 62.300 0.211 0.000 1.036 276 V CB -1.258 30.648 31.823 0.137 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.910 121.999 122.820 0.149 0.000 1.883 277 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 277 A C 2.180 179.832 177.584 0.113 0.000 1.186 277 A CA 2.245 54.353 52.037 0.119 0.000 0.624 277 A CB -0.816 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 0.444 120.769 120.300 0.041 0.000 2.145 278 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 278 Y C 2.554 178.440 175.900 -0.024 0.000 1.145 278 Y CA 2.080 60.150 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 0.361 nan 8.280 nan 0.000 0.507 279 R N 0.339 120.860 120.500 0.034 0.000 2.083 279 R HA -0.286 4.054 4.340 -0.000 0.000 0.237 279 R C 2.442 178.638 176.300 -0.173 0.000 1.137 279 R CA 2.119 58.163 56.100 -0.094 0.000 0.951 279 R CB -0.544 29.678 30.300 -0.130 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.103 119.836 119.800 -0.111 0.000 2.112 280 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 280 Q C 2.036 177.954 176.000 -0.137 0.000 0.987 280 Q CA 2.295 58.035 55.803 -0.104 0.000 0.858 280 Q CB -0.043 28.661 28.738 -0.056 0.000 0.905 280 Q HN 0.480 nan 8.270 nan 0.000 0.420 281 M N -0.446 119.040 119.600 -0.190 0.000 2.193 281 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 281 M C 2.319 178.470 176.300 -0.248 0.000 1.071 281 M CA 1.180 56.358 55.300 -0.202 0.000 1.140 281 M CB 0.052 32.509 32.600 -0.240 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.522 116.984 115.700 -0.397 0.000 2.351 282 S HA -0.134 4.336 4.470 -0.000 0.000 0.220 282 S C 1.921 176.407 174.600 -0.189 0.000 1.035 282 S CA 1.370 59.357 58.200 -0.355 0.000 1.031 282 S CB -0.687 62.234 63.200 -0.466 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 0.894 122.019 121.223 -0.162 0.000 2.083 283 L HA -0.054 4.286 4.340 -0.000 0.000 0.209 283 L C 2.235 179.054 176.870 -0.084 0.000 1.083 283 L CA 0.938 55.714 54.840 -0.107 0.000 0.752 283 L CB -0.538 41.460 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.706 120.464 121.223 -0.089 0.000 2.291 284 L HA -0.151 4.188 4.340 -0.000 0.000 0.214 284 L C 2.016 178.856 176.870 -0.051 0.000 1.120 284 L CA 0.731 55.534 54.840 -0.062 0.000 0.799 284 L CB -0.162 41.864 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 0.077 4.417 4.340 -0.000 0.000 0.228 285 L C 0.791 177.639 176.870 -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 41.943 42.059 -0.054 0.000 1.033 285 L HN 0.211 nan 8.230 nan 0.000 0.450 286 R N -0.089 120.384 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.198 4.340 -0.000 0.000 0.312 286 R C -0.007 176.274 176.300 -0.032 0.000 1.181 286 R CA 0.368 56.448 56.100 -0.035 0.000 0.836 286 R CB -1.431 28.856 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.306 121.779 120.500 -0.044 0.000 2.679 287 R HA 0.190 4.530 4.340 -0.000 0.000 0.269 287 R C -1.938 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.378 54.705 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 0.088 nan 4.420 nan 0.000 0.267 288 P C -2.445 174.862 177.300 0.012 0.000 1.205 288 P CA -1.099 62.002 63.100 0.003 0.000 0.765 288 P CB 0.162 31.869 31.700 0.012 0.000 0.828 289 P HA 0.347 nan 4.420 nan 0.000 0.294 289 P C 0.028 177.344 177.300 0.027 0.000 1.294 289 P CA -0.061 63.047 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 4.340 3.960 -0.000 0.000 0.235 290 G HA3 0.380 4.340 3.960 -0.000 0.000 0.235 290 G C -0.578 174.336 174.900 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 0.332 120.791 120.500 -0.070 0.000 2.500 291 R HA -0.038 4.302 4.340 -0.000 0.000 0.281 291 R C 0.223 176.571 176.300 0.080 0.000 0.953 291 R CA 1.369 57.408 56.100 -0.102 0.000 1.108 291 R CB -0.222 29.855 30.300 -0.372 0.000 0.901 291 R HN 0.788 nan 8.270 nan 0.000 0.410 292 E N 1.930 122.183 120.200 0.089 0.000 3.170 292 E HA -0.337 4.013 4.350 -0.000 0.000 0.284 292 E C 0.315 176.876 176.600 -0.064 0.000 0.967 292 E CA 0.545 57.021 56.400 0.127 0.000 0.919 292 E CB -1.347 28.607 29.700 0.422 0.000 1.469 292 E HN 0.890 nan 8.360 nan 0.000 0.444 293 A N -2.012 120.780 122.820 -0.046 0.000 2.979 293 A HA -0.294 4.026 4.320 -0.000 0.000 0.260 293 A C -0.005 177.490 177.584 -0.148 0.000 1.282 293 A CA 1.722 53.690 52.037 -0.115 0.000 0.971 293 A CB -2.055 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 0.823 121.221 120.300 0.162 0.000 2.309 294 Y HA 0.448 4.998 4.550 -0.000 0.000 0.327 294 Y C -1.281 174.728 175.900 0.182 0.000 1.172 294 Y CA -1.316 56.906 58.100 0.202 0.000 1.280 294 Y CB 0.420 39.102 38.460 0.371 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 0.637 178.103 177.300 0.277 0.000 1.223 295 P CA 0.100 63.323 63.100 0.205 0.000 0.784 295 P CB 0.929 32.708 31.700 0.132 0.000 0.923 296 G N 1.615 110.539 108.800 0.207 0.000 2.501 296 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 296 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 296 G C 0.712 175.753 174.900 0.235 0.000 1.114 296 G CA 0.554 45.776 45.100 0.203 0.000 0.757 296 G HN 0.662 nan 8.290 nan 0.000 0.559 297 D N 0.099 120.664 120.400 0.275 0.000 2.525 297 D HA 0.103 4.743 4.640 -0.000 0.000 0.229 297 D C 1.634 178.095 176.300 0.268 0.000 1.202 297 D CA -0.427 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 0.094 nan 8.370 nan 0.000 0.493 298 V N -0.200 119.843 119.914 0.215 0.000 2.548 298 V HA -0.083 4.037 4.120 -0.000 0.000 0.249 298 V C 1.764 177.753 176.094 -0.175 0.000 1.055 298 V CA 1.027 63.317 62.300 -0.017 0.000 1.065 298 V CB -0.716 31.100 31.823 -0.012 0.000 0.681 298 V HN 0.228 nan 8.190 nan 0.000 0.462 299 F N 0.026 119.919 119.950 -0.095 0.000 2.146 299 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 299 F C 2.134 177.942 175.800 0.013 0.000 1.096 299 F CA 2.239 60.203 58.000 -0.061 0.000 1.275 299 F CB -0.482 38.539 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.456 120.824 120.300 0.113 0.000 2.421 300 Y HA -0.120 4.430 4.550 -0.000 0.000 0.292 300 Y C 1.885 177.721 175.900 -0.108 0.000 1.136 300 Y CA 1.235 59.361 58.100 0.044 0.000 1.255 300 Y CB -0.642 37.883 38.460 0.107 0.000 0.991 300 Y HN 0.228 nan 8.280 nan 0.000 0.552 301 L N -0.626 120.410 121.223 -0.311 0.000 2.109 301 L HA -0.138 4.201 4.340 -0.000 0.000 0.207 301 L C 2.098 178.808 176.870 -0.267 0.000 1.086 301 L CA 1.997 56.590 54.840 -0.412 0.000 0.760 301 L CB -0.570 41.133 42.059 -0.592 0.000 0.910 301 L HN 0.288 nan 8.230 nan 0.000 0.437 302 H N -1.958 116.918 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.544 4.556 -0.000 0.000 0.295 302 H C 2.365 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.792 56.615 56.048 -0.375 0.000 1.360 302 H CB 0.162 29.674 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.612 117.126 115.700 -0.309 0.000 2.368 303 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 303 S C 2.047 176.594 174.600 -0.089 0.000 1.030 303 S CA 1.251 59.305 58.200 -0.243 0.000 0.999 303 S CB -0.306 62.756 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.644 121.089 120.500 -0.091 0.000 2.235 304 R HA 0.184 4.524 4.340 -0.000 0.000 0.213 304 R C 2.144 178.442 176.300 -0.002 0.000 1.059 304 R CA 0.970 57.039 56.100 -0.052 0.000 0.997 304 R CB -0.499 29.700 30.300 -0.169 0.000 0.884 304 R HN 0.472 nan 8.270 nan 0.000 0.462 305 L N 0.649 121.857 121.223 -0.025 0.000 2.121 305 L HA 0.144 4.483 4.340 -0.000 0.000 0.200 305 L C 1.892 178.698 176.870 -0.107 0.000 1.077 305 L CA 1.291 56.080 54.840 -0.085 0.000 0.766 305 L CB -0.266 41.562 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.069 121.073 121.223 -0.136 0.000 2.456 306 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 306 L C 2.158 179.012 176.870 -0.027 0.000 1.148 306 L CA 0.416 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 -0.044 4.306 4.350 -0.000 0.000 0.192 307 E C 1.957 178.561 176.600 0.007 0.000 0.986 307 E CA 0.359 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 4.400 4.340 -0.000 0.000 0.202 308 R C 0.736 177.054 176.300 0.029 0.000 1.047 308 R CA 0.389 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 1.054 123.892 122.820 0.029 0.000 2.309 309 A HA 0.730 5.050 4.320 -0.000 0.000 0.298 309 A C -0.265 177.326 177.584 0.013 0.000 1.165 309 A CA -0.150 51.905 52.037 0.029 0.000 0.821 309 A CB 0.907 19.927 19.000 0.033 0.000 1.102 309 A HN 0.252 nan 8.150 nan 0.000 0.500 310 A N 1.778 124.604 122.820 0.011 0.000 2.567 310 A HA 0.638 4.958 4.320 -0.000 0.000 0.291 310 A C -1.067 176.523 177.584 0.009 0.000 1.048 310 A CA -0.713 51.325 52.037 0.002 0.000 0.661 310 A CB 0.742 19.731 19.000 -0.018 0.000 1.288 310 A HN 0.979 nan 8.150 nan 0.000 0.424 311 K N 1.773 122.180 120.400 0.011 0.000 2.253 311 K HA 0.592 4.912 4.320 -0.000 0.000 0.277 311 K C -0.106 176.503 176.600 0.015 0.000 1.053 311 K CA -0.308 55.996 56.287 0.029 0.000 0.892 311 K CB 0.259 32.780 32.500 0.036 0.000 1.102 311 K HN 0.612 nan 8.250 nan 0.000 0.469 312 M N 2.412 122.021 119.600 0.015 0.000 2.163 312 M HA 0.182 4.662 4.480 -0.000 0.000 0.305 312 M C 0.326 176.670 176.300 0.073 0.000 1.166 312 M CA -0.482 54.831 55.300 0.020 0.000 1.132 312 M CB 0.108 32.728 32.600 0.033 0.000 1.413 312 M HN 0.751 nan 8.290 nan 0.000 0.478 313 N N 0.149 118.931 118.700 0.136 0.000 2.492 313 N HA 0.184 4.924 4.740 -0.000 0.000 0.289 313 N C -0.032 175.565 175.510 0.144 0.000 1.133 313 N CA -0.492 52.644 53.050 0.143 0.000 0.961 313 N CB 0.607 39.195 38.487 0.167 0.000 1.186 313 N HN 0.417 nan 8.380 nan 0.000 0.493 314 D N 0.833 121.283 120.400 0.082 0.000 2.172 314 D HA -0.255 4.385 4.640 -0.000 0.000 0.196 314 D C 1.485 177.796 176.300 0.019 0.000 0.999 314 D CA 1.989 56.017 54.000 0.047 0.000 0.856 314 D CB -0.355 40.462 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.133 122.961 122.820 0.014 0.000 2.024 315 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 315 A C 1.649 179.070 177.584 -0.272 0.000 1.164 315 A CA 1.080 53.049 52.037 -0.113 0.000 0.643 315 A CB -0.595 18.348 19.000 -0.095 0.000 0.806 315 A HN 0.180 nan 8.150 nan 0.000 0.451 316 F N -2.132 117.809 119.950 -0.015 0.000 2.678 316 F HA 0.403 4.930 4.527 -0.000 0.000 0.305 316 F C 1.712 177.491 175.800 -0.036 0.000 1.090 316 F CA 0.641 58.627 58.000 -0.023 0.000 1.272 316 F CB 0.952 39.940 39.000 -0.019 0.000 1.060 316 F HN 0.343 nan 8.300 nan 0.000 0.576 317 G N -0.786 108.067 108.800 0.089 0.000 2.255 317 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.196 317 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.196 317 G C 1.241 176.152 174.900 0.020 0.000 0.998 317 G CA -0.188 44.931 45.100 0.032 0.000 0.656 317 G HN 0.860 nan 8.290 nan 0.000 0.490 318 G N -0.209 108.621 108.800 0.050 0.000 2.186 318 G HA2 0.125 4.085 3.960 -0.000 0.000 0.266 318 G HA3 0.125 4.085 3.960 -0.000 0.000 0.266 318 G C 1.427 176.315 174.900 -0.019 0.000 0.982 318 G CA 1.300 46.428 45.100 0.047 0.000 0.670 318 G HN 2.070 nan 8.290 nan 0.000 0.533 319 G N -0.415 108.317 108.800 -0.113 0.000 2.636 319 G HA2 0.638 4.598 3.960 -0.000 0.000 0.246 319 G HA3 0.638 4.598 3.960 -0.000 0.000 0.246 319 G C 0.354 175.137 174.900 -0.194 0.000 1.216 319 G CA 1.118 46.024 45.100 -0.324 0.000 0.854 319 G HN 1.742 nan 8.290 nan 0.000 0.572 320 S N -0.975 114.603 115.700 -0.202 0.000 2.661 320 S HA 0.699 5.169 4.470 -0.000 0.000 0.285 320 S C -1.390 173.252 174.600 0.070 0.000 1.138 320 S CA -0.847 57.382 58.200 0.049 0.000 0.855 320 S CB 2.046 65.385 63.200 0.232 0.000 1.136 320 S HN 1.041 nan 8.310 nan 0.000 0.484 321 L N 1.794 123.056 121.223 0.064 0.000 2.471 321 L HA 0.576 4.915 4.340 -0.000 0.000 0.263 321 L C -0.709 176.180 176.870 0.031 0.000 0.985 321 L CA 0.217 55.091 54.840 0.056 0.000 0.868 321 L CB 1.496 43.590 42.059 0.057 0.000 1.203 321 L HN 0.929 nan 8.230 nan 0.000 0.429 322 T N 3.439 118.000 114.554 0.013 0.000 2.882 322 T HA 0.835 5.185 4.350 -0.000 0.000 0.287 322 T C -0.162 174.513 174.700 -0.041 0.000 0.992 322 T CA -0.176 61.916 62.100 -0.013 0.000 1.076 322 T CB 1.451 70.303 68.868 -0.027 0.000 0.961 322 T HN 0.743 nan 8.240 nan 0.000 0.490 323 A N 3.006 125.802 122.820 -0.040 0.000 2.356 323 A HA 0.744 5.064 4.320 -0.000 0.000 0.310 323 A C -0.804 176.737 177.584 -0.072 0.000 1.075 323 A CA -0.756 51.235 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 4.169 125.314 121.223 -0.130 0.000 2.337 324 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 324 L C -2.471 174.343 176.870 -0.093 0.000 1.018 324 L CA -1.782 52.999 54.840 -0.098 0.000 0.876 324 L CB 1.837 43.842 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 4.400 124.267 119.914 -0.078 0.000 2.483 326 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 326 V C 0.232 176.263 176.094 -0.105 0.000 1.035 326 V CA -0.570 61.676 62.300 -0.090 0.000 0.896 326 V CB 1.660 33.442 31.823 -0.069 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.247 123.757 120.570 -0.099 0.000 2.465 327 I HA 0.416 4.585 4.170 -0.000 0.000 0.291 327 I C 0.009 176.099 176.117 -0.046 0.000 1.014 327 I CA -0.388 60.860 61.300 -0.086 0.000 1.093 327 I CB 2.026 39.969 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.289 125.476 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.675 4.350 -0.000 0.000 0.282 328 E C -0.304 176.310 176.600 0.023 0.000 0.987 328 E CA -0.372 56.028 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 1.919 116.493 114.554 0.035 0.000 2.824 329 T HA 0.280 4.630 4.350 -0.000 0.000 0.277 329 T C 0.042 174.775 174.700 0.055 0.000 0.975 329 T CA -0.844 61.290 62.100 0.057 0.000 0.966 329 T CB 1.338 70.255 68.868 0.082 0.000 1.054 329 T HN 0.371 nan 8.240 nan 0.000 0.533 330 Q N 0.137 119.974 119.800 0.062 0.000 2.325 330 Q HA 0.539 4.878 4.340 -0.000 0.000 0.270 330 Q C 0.270 176.302 176.000 0.053 0.000 1.020 330 Q CA -0.214 55.622 55.803 0.056 0.000 0.785 330 Q CB 1.471 30.246 28.738 0.061 0.000 1.259 330 Q HN 1.268 nan 8.270 nan 0.000 0.452 331 A N 2.125 124.973 122.820 0.047 0.000 2.783 331 A HA -0.183 4.137 4.320 -0.000 0.000 0.292 331 A C 1.124 178.736 177.584 0.046 0.000 1.495 331 A CA 1.456 53.520 52.037 0.045 0.000 0.787 331 A CB -2.151 16.873 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 3.719 3.960 -0.000 0.000 0.263 332 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.263 332 G C 0.025 174.960 174.900 0.057 0.000 1.012 332 G CA 1.089 46.225 45.100 0.059 0.000 0.749 332 G HN 1.637 nan 8.290 nan 0.000 0.512 333 D N 0.636 121.074 120.400 0.062 0.000 2.608 333 D HA 0.318 4.958 4.640 -0.000 0.000 0.224 333 D C 2.006 178.357 176.300 0.084 0.000 1.123 333 D CA 0.270 54.308 54.000 0.064 0.000 1.030 333 D CB 0.077 40.916 40.800 0.066 0.000 1.093 333 D HN 0.544 nan 8.370 nan 0.000 0.497 334 V N 0.529 120.499 119.914 0.092 0.000 2.867 334 V HA -0.101 4.019 4.120 -0.000 0.000 0.260 334 V C 1.596 177.762 176.094 0.119 0.000 1.099 334 V CA 1.151 63.534 62.300 0.138 0.000 1.122 334 V CB -0.483 31.455 31.823 0.192 0.000 0.708 334 V HN 0.259 nan 8.190 nan 0.000 0.490 335 S N 0.436 116.191 115.700 0.092 0.000 2.575 335 S HA 0.585 5.055 4.470 -0.000 0.000 0.215 335 S C 1.218 175.885 174.600 0.113 0.000 0.966 335 S CA 0.289 58.545 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 0.831 123.722 122.820 0.118 0.000 2.364 336 A HA 0.306 4.626 4.320 -0.000 0.000 0.258 336 A C 0.998 178.710 177.584 0.213 0.000 1.131 336 A CA -0.064 52.062 52.037 0.149 0.000 0.800 336 A CB -0.256 18.825 19.000 0.136 0.000 1.086 336 A HN 0.305 nan 8.150 nan 0.000 0.508 337 Y N 0.006 120.349 120.300 0.070 0.000 2.036 337 Y HA -0.197 4.353 4.550 -0.000 0.000 0.273 337 Y C 2.014 177.913 175.900 -0.001 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 0.585 121.040 120.570 -0.191 0.000 2.208 338 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 338 I C -0.756 175.314 176.117 -0.078 0.000 1.097 338 I CA 1.634 62.775 61.300 -0.266 0.000 1.363 338 I CB -1.913 35.903 38.000 -0.307 0.000 1.051 338 I HN 0.209 nan 8.210 nan 0.000 0.413 339 P HA -0.113 nan 4.420 nan 0.000 0.216 339 P C 1.724 179.060 177.300 0.060 0.000 1.150 339 P CA 1.555 64.671 63.100 0.027 0.000 0.837 339 P CB -0.215 31.526 31.700 0.068 0.000 0.786 340 T N -0.793 113.820 114.554 0.097 0.000 2.777 340 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 340 T C 1.597 176.386 174.700 0.148 0.000 1.040 340 T CA 1.326 63.505 62.100 0.133 0.000 1.141 340 T CB -0.785 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 1.217 120.000 118.700 0.138 0.000 2.013 341 N HA -0.081 4.659 4.740 -0.000 0.000 0.195 341 N C 2.026 177.602 175.510 0.110 0.000 1.051 341 N CA 1.052 54.239 53.050 0.229 0.000 0.851 341 N CB -1.043 37.510 38.487 0.110 0.000 1.044 341 N HN 0.197 nan 8.380 nan 0.000 0.422 342 V N 1.744 121.650 119.914 -0.013 0.000 2.469 342 V HA -0.166 3.954 4.120 -0.000 0.000 0.251 342 V C 2.257 178.329 176.094 -0.037 0.000 1.064 342 V CA 1.158 63.407 62.300 -0.086 0.000 1.066 342 V CB -0.543 31.179 31.823 -0.168 0.000 0.667 342 V HN 0.268 nan 8.190 nan 0.000 0.461 343 I N 1.094 121.672 120.570 0.012 0.000 2.252 343 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 343 I C 2.685 178.839 176.117 0.061 0.000 1.102 343 I CA 1.904 63.222 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 0.791 116.555 115.700 0.107 0.000 2.474 344 S HA -0.057 4.412 4.470 -0.000 0.000 0.235 344 S C 1.767 176.455 174.600 0.146 0.000 0.997 344 S CA 0.827 59.114 58.200 0.145 0.000 0.949 344 S CB -0.405 62.923 63.200 0.213 0.000 0.766 344 S HN 0.452 nan 8.310 nan 0.000 0.517 345 I N 1.488 122.111 120.570 0.087 0.000 3.081 345 I HA 0.058 4.228 4.170 -0.000 0.000 0.274 345 I C 1.323 177.447 176.117 0.011 0.000 1.178 345 I CA 0.576 61.901 61.300 0.042 0.000 1.460 345 I CB -0.299 37.647 38.000 -0.090 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.285 112.263 114.554 -0.010 0.000 2.874 346 T HA 0.136 4.486 4.350 -0.000 0.000 0.281 346 T C 0.571 175.269 174.700 -0.004 0.000 0.994 346 T CA -0.554 61.533 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 0.030 nan 8.240 nan 0.000 0.523 347 D N 0.401 120.796 120.400 -0.009 0.000 2.349 347 D HA 0.281 4.921 4.640 -0.000 0.000 0.224 347 D C 0.949 177.247 176.300 -0.002 0.000 1.029 347 D CA 0.516 54.516 54.000 -0.001 0.000 0.879 347 D CB 0.113 40.911 40.800 -0.004 0.000 0.906 347 D HN 0.887 nan 8.370 nan 0.000 0.528 348 G N 0.068 108.858 108.800 -0.016 0.000 2.316 348 G HA2 0.319 4.279 3.960 -0.000 0.000 0.296 348 G HA3 0.319 4.279 3.960 -0.000 0.000 0.296 348 G C -1.929 172.925 174.900 -0.076 0.000 1.399 348 G CA -0.807 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 -0.838 118.895 119.800 -0.112 0.000 2.345 349 Q HA 0.672 5.012 4.340 -0.000 0.000 0.275 349 Q C -0.689 175.132 176.000 -0.298 0.000 1.063 349 Q CA -0.463 55.145 55.803 -0.324 0.000 0.819 349 Q CB 2.790 31.108 28.738 -0.701 0.000 1.356 349 Q HN 0.581 nan 8.270 nan 0.000 0.418 350 I N 2.646 123.022 120.570 -0.324 0.000 2.330 350 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 350 I C -0.895 175.081 176.117 -0.234 0.000 1.025 350 I CA -0.459 60.742 61.300 -0.165 0.000 1.197 350 I CB 0.410 38.353 38.000 -0.096 0.000 1.358 350 I HN 0.466 nan 8.210 nan 0.000 0.467 351 F N 6.829 126.782 119.950 0.004 0.000 2.421 351 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 351 F C 0.257 176.062 175.800 0.009 0.000 1.115 351 F CA -0.243 57.760 58.000 0.005 0.000 1.160 351 F CB 0.628 39.633 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 3.999 125.308 121.223 0.145 0.000 2.357 352 L HA 0.490 4.829 4.340 -0.000 0.000 0.273 352 L C -0.264 176.669 176.870 0.105 0.000 1.080 352 L CA -0.526 54.375 54.840 0.100 0.000 0.803 352 L CB 1.311 43.393 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.531 120.787 120.200 0.094 0.000 2.256 353 E HA 0.223 4.573 4.350 -0.000 0.000 0.268 353 E C -0.088 176.565 176.600 0.088 0.000 0.877 353 E CA -0.442 56.008 56.400 0.084 0.000 0.757 353 E CB 2.220 31.970 29.700 0.084 0.000 1.183 353 E HN 0.587 nan 8.360 nan 0.000 0.418 354 T N 1.343 115.941 114.554 0.073 0.000 2.652 354 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 354 T C 1.613 176.429 174.700 0.194 0.000 1.039 354 T CA 1.777 63.940 62.100 0.105 0.000 1.153 354 T CB -0.080 68.878 68.868 0.150 0.000 0.863 354 T HN 0.643 nan 8.240 nan 0.000 0.428 355 E N 1.018 121.319 120.200 0.169 0.000 2.065 355 E HA -0.192 4.158 4.350 -0.000 0.000 0.201 355 E C 2.185 178.875 176.600 0.150 0.000 1.016 355 E CA 1.290 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 0.465 nan 8.360 nan 0.000 0.453 356 L N -0.176 121.116 121.223 0.116 0.000 1.970 356 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 356 L C 2.547 179.462 176.870 0.076 0.000 1.071 356 L CA 1.594 56.488 54.840 0.090 0.000 0.751 356 L CB -0.739 41.370 42.059 0.084 0.000 0.889 356 L HN 0.232 nan 8.230 nan 0.000 0.432 357 F N 0.284 120.181 119.950 -0.087 0.000 2.032 357 F HA -0.361 4.166 4.527 -0.000 0.000 0.297 357 F C 2.466 178.123 175.800 -0.239 0.000 1.125 357 F CA 1.953 59.822 58.000 -0.218 0.000 1.202 357 F CB -0.623 38.142 39.000 -0.392 0.000 0.958 357 F HN -0.047 nan 8.300 nan 0.000 0.491 358 Y N 0.049 120.492 120.300 0.238 0.000 2.483 358 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 358 Y C 2.191 178.108 175.900 0.029 0.000 1.143 358 Y CA 1.256 59.425 58.100 0.115 0.000 1.289 358 Y CB -0.774 37.776 38.460 0.151 0.000 0.983 358 Y HN 0.103 nan 8.280 nan 0.000 0.556 359 K N -0.835 119.639 120.400 0.122 0.000 2.487 359 K HA 0.116 4.436 4.320 -0.000 0.000 0.192 359 K C 1.360 177.969 176.600 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 0.445 nan 8.250 nan 0.000 0.510 360 G N 0.869 109.634 108.800 -0.059 0.000 2.201 360 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.212 360 G HA3 -0.167 3.792 3.960 -0.000 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 2.078 122.595 120.570 -0.090 0.000 2.329 361 I HA 0.389 4.559 4.170 -0.000 0.000 0.295 361 I C 0.606 176.657 176.117 -0.109 0.000 1.109 361 I CA 0.273 61.537 61.300 -0.060 0.000 1.297 361 I CB 0.022 38.022 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.639 128.062 120.500 -0.127 0.000 2.502 362 R HA 0.407 4.747 4.340 -0.000 0.000 0.300 362 R C -2.578 173.692 176.300 -0.050 0.000 0.984 362 R CA -1.641 54.382 56.100 -0.128 0.000 0.882 362 R CB 2.555 32.676 30.300 -0.299 0.000 1.180 362 R HN 0.306 nan 8.270 nan 0.000 0.444 363 P HA 0.012 nan 4.420 nan 0.000 0.271 363 P C -0.004 177.332 177.300 0.059 0.000 1.216 363 P CA -0.068 63.056 63.100 0.040 0.000 0.776 363 P CB 1.013 32.729 31.700 0.027 0.000 0.881 364 A N 4.317 127.215 122.820 0.130 0.000 2.176 364 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 364 A C 1.045 178.686 177.584 0.095 0.000 1.327 364 A CA -0.112 52.004 52.037 0.131 0.000 1.015 364 A CB -1.465 17.665 19.000 0.216 0.000 0.818 364 A HN 0.516 nan 8.150 nan 0.000 0.500 365 I N 1.229 121.843 120.570 0.073 0.000 2.662 365 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 365 I C 0.622 176.790 176.117 0.085 0.000 1.161 365 I CA -0.081 61.265 61.300 0.076 0.000 1.415 365 I CB 0.183 38.216 38.000 0.055 0.000 1.385 365 I HN 0.295 nan 8.210 nan 0.000 0.552 366 N N 7.043 125.812 118.700 0.115 0.000 2.448 366 N HA 0.045 4.785 4.740 -0.000 0.000 0.250 366 N C 0.701 176.268 175.510 0.095 0.000 1.136 366 N CA 0.067 53.173 53.050 0.094 0.000 0.953 366 N CB 1.362 39.903 38.487 0.091 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.873 123.829 119.914 0.069 0.000 2.407 367 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 367 V C 2.220 178.346 176.094 0.055 0.000 1.055 367 V CA 2.318 64.656 62.300 0.063 0.000 1.049 367 V CB -0.681 31.174 31.823 0.053 0.000 0.662 367 V HN 0.786 nan 8.190 nan 0.000 0.455 368 G N -0.632 108.188 108.800 0.033 0.000 2.418 368 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 368 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 368 G C 1.445 176.352 174.900 0.013 0.000 1.158 368 G CA 0.796 45.903 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.911 122.138 121.223 0.008 0.000 2.567 369 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 369 L C 1.105 178.114 176.870 0.232 0.000 1.119 369 L CA -0.296 54.531 54.840 -0.022 0.000 0.871 369 L CB 0.220 42.094 42.059 -0.307 0.000 1.036 369 L HN 0.001 nan 8.230 nan 0.000 0.459 370 S N -0.341 115.519 115.700 0.267 0.000 2.603 370 S HA 0.521 4.991 4.470 -0.000 0.000 0.268 370 S C -0.128 174.572 174.600 0.167 0.000 1.317 370 S CA -0.456 57.917 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 0.281 120.264 119.914 0.114 0.000 3.147 371 V HA 0.749 4.869 4.120 -0.000 0.000 0.306 371 V C -0.609 175.504 176.094 0.033 0.000 1.209 371 V CA -0.883 61.462 62.300 0.074 0.000 1.023 371 V CB 2.020 33.896 31.823 0.088 0.000 1.059 371 V HN 0.706 nan 8.190 nan 0.000 0.435 372 S N 0.152 115.867 115.700 0.025 0.000 2.620 372 S HA 0.419 4.889 4.470 -0.000 0.000 0.244 372 S C 0.707 175.315 174.600 0.012 0.000 1.192 372 S CA -0.632 57.574 58.200 0.010 0.000 1.148 372 S CB 0.948 64.149 63.200 0.002 0.000 1.106 372 S HN 0.740 nan 8.310 nan 0.000 0.474 373 R N 2.041 122.548 120.500 0.013 0.000 2.091 373 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 373 R C 1.834 178.140 176.300 0.009 0.000 1.136 373 R CA 1.863 57.971 56.100 0.014 0.000 0.959 373 R CB -0.519 29.791 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.410 120.326 119.914 0.003 0.000 2.392 374 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 374 V C 1.718 177.812 176.094 -0.001 0.000 1.059 374 V CA 1.652 63.952 62.300 -0.000 0.000 1.051 374 V CB -1.256 30.564 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.039 108.839 108.800 0.000 0.000 2.581 375 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.291 375 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.291 375 G C 0.954 175.852 174.900 -0.003 0.000 1.277 375 G CA 0.478 45.579 45.100 0.001 0.000 0.959 375 G HN 0.387 nan 8.290 nan 0.000 0.554 376 S N 0.644 116.343 115.700 -0.001 0.000 2.440 376 S HA 0.016 4.486 4.470 -0.000 0.000 0.238 376 S C 2.686 177.282 174.600 -0.007 0.000 1.010 376 S CA 1.839 60.038 58.200 -0.003 0.000 0.972 376 S CB -0.570 62.630 63.200 -0.000 0.000 0.774 376 S HN 1.682 nan 8.310 nan 0.000 0.501 377 A N 0.483 123.300 122.820 -0.006 0.000 2.245 377 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 377 A C 1.811 179.386 177.584 -0.016 0.000 1.171 377 A CA 1.522 53.554 52.037 -0.008 0.000 0.688 377 A CB -0.440 18.557 19.000 -0.005 0.000 0.781 377 A HN 0.537 nan 8.150 nan 0.000 0.479 378 A N -1.875 120.933 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.666 4.320 -0.000 0.000 0.250 378 A C 0.725 178.290 177.584 -0.032 0.000 1.208 378 A CA -0.266 51.753 52.037 -0.030 0.000 0.960 378 A CB 0.200 19.181 19.000 -0.032 0.000 1.099 378 A HN 0.530 nan 8.150 nan 0.000 0.542 379 Q N 0.760 120.548 119.800 -0.020 0.000 2.260 379 Q HA 0.433 4.773 4.340 -0.000 0.000 0.238 379 Q C -0.332 175.658 176.000 -0.017 0.000 0.948 379 Q CA -0.272 55.521 55.803 -0.016 0.000 0.895 379 Q CB 1.056 29.790 28.738 -0.007 0.000 1.218 379 Q HN 0.436 nan 8.270 nan 0.000 0.470 380 T N -0.591 113.955 114.554 -0.014 0.000 2.874 380 T HA 0.192 4.542 4.350 -0.000 0.000 0.281 380 T C 0.846 175.543 174.700 -0.004 0.000 0.994 380 T CA -0.759 61.333 62.100 -0.013 0.000 1.015 380 T CB 1.192 70.055 68.868 -0.010 0.000 1.028 380 T HN 0.613 nan 8.240 nan 0.000 0.523 381 R N 0.321 120.819 120.500 -0.002 0.000 2.148 381 R HA -0.025 4.315 4.340 -0.000 0.000 0.227 381 R C 2.367 178.673 176.300 0.010 0.000 1.103 381 R CA 1.129 57.231 56.100 0.003 0.000 0.983 381 R CB -0.699 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 0.949 123.774 122.820 0.009 0.000 1.858 382 A HA -0.232 4.088 4.320 -0.000 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 -0.541 18.464 19.000 0.008 0.000 0.827 382 A HN 0.414 nan 8.150 nan 0.000 0.443 383 M N 0.146 119.757 119.600 0.018 0.000 2.067 383 M HA -0.119 4.361 4.480 -0.000 0.000 0.260 383 M C 1.864 178.178 176.300 0.022 0.000 1.069 383 M CA 2.008 57.321 55.300 0.022 0.000 1.117 383 M CB -0.553 32.056 32.600 0.014 0.000 1.334 383 M HN 0.372 nan 8.290 nan 0.000 0.407 384 K N -0.514 119.896 120.400 0.015 0.000 2.089 384 K HA -0.284 4.035 4.320 -0.000 0.000 0.210 384 K C 2.161 178.773 176.600 0.020 0.000 1.048 384 K CA 2.083 58.378 56.287 0.014 0.000 0.926 384 K CB -0.482 32.024 32.500 0.009 0.000 0.714 384 K HN 0.574 nan 8.250 nan 0.000 0.448 385 Q N 0.575 120.392 119.800 0.027 0.000 2.248 385 Q HA -0.187 4.152 4.340 -0.000 0.000 0.208 385 Q C 1.711 177.739 176.000 0.048 0.000 0.984 385 Q CA 1.803 57.629 55.803 0.038 0.000 0.875 385 Q CB 0.192 28.958 28.738 0.046 0.000 0.910 385 Q HN 0.341 nan 8.270 nan 0.000 0.433 386 V N -4.476 115.466 119.914 0.047 0.000 2.996 386 V HA 0.291 4.411 4.120 -0.000 0.000 0.235 386 V C 2.077 178.186 176.094 0.024 0.000 1.205 386 V CA 0.519 62.848 62.300 0.048 0.000 1.225 386 V CB -1.106 30.765 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.006 124.840 122.820 0.023 0.000 1.915 387 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 387 A C 2.340 179.929 177.584 0.008 0.000 1.198 387 A CA 2.956 55.001 52.037 0.014 0.000 0.647 387 A CB -1.610 17.398 19.000 0.014 0.000 0.825 387 A HN 0.777 nan 8.150 nan 0.000 0.456 388 G N -1.015 107.789 108.800 0.007 0.000 2.446 388 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 388 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 388 G C 1.703 176.601 174.900 -0.004 0.000 1.168 388 G CA 2.199 47.301 45.100 0.003 0.000 0.771 388 G HN 0.759 nan 8.290 nan 0.000 0.551 389 T N -1.681 112.867 114.554 -0.009 0.000 3.014 389 T HA 0.126 4.476 4.350 -0.000 0.000 0.263 389 T C 2.289 176.974 174.700 -0.025 0.000 1.078 389 T CA 1.012 63.100 62.100 -0.021 0.000 1.135 389 T CB -0.081 68.767 68.868 -0.034 0.000 0.895 389 T HN 0.195 nan 8.240 nan 0.000 0.480 390 M N 1.229 120.816 119.600 -0.021 0.000 2.067 390 M HA -0.072 4.408 4.480 -0.000 0.000 0.260 390 M C 2.548 178.843 176.300 -0.010 0.000 1.069 390 M CA 1.766 57.053 55.300 -0.022 0.000 1.117 390 M CB -0.283 32.308 32.600 -0.015 0.000 1.334 390 M HN 0.201 nan 8.290 nan 0.000 0.407 391 K N 0.163 120.563 120.400 -0.001 0.000 2.089 391 K HA -0.256 4.063 4.320 -0.000 0.000 0.210 391 K C 1.866 178.470 176.600 0.006 0.000 1.048 391 K CA 1.805 58.096 56.287 0.007 0.000 0.926 391 K CB -0.331 32.174 32.500 0.008 0.000 0.714 391 K HN 0.319 nan 8.250 nan 0.000 0.448 392 L N 1.727 122.949 121.223 -0.001 0.000 2.072 392 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 392 L C 1.976 178.846 176.870 -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 -0.762 119.432 120.200 -0.009 0.000 2.152 393 E HA -0.194 4.155 4.350 -0.000 0.000 0.192 393 E C 2.305 178.921 176.600 0.027 0.000 0.983 393 E CA 1.015 57.410 56.400 -0.008 0.000 0.818 393 E CB -0.319 29.356 29.700 -0.042 0.000 0.758 393 E HN 0.489 nan 8.360 nan 0.000 0.467 394 L N 1.148 122.388 121.223 0.028 0.000 1.994 394 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 394 L C 2.762 179.689 176.870 0.096 0.000 1.071 394 L CA 1.151 56.041 54.840 0.083 0.000 0.745 394 L CB -0.606 41.488 42.059 0.059 0.000 0.892 394 L HN 0.142 nan 8.230 nan 0.000 0.431 395 A N -0.521 122.325 122.820 0.044 0.000 1.948 395 A HA -0.301 4.018 4.320 -0.000 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 -0.555 18.449 19.000 0.007 0.000 0.815 395 A HN 0.541 nan 8.150 nan 0.000 0.449 396 Q N -2.283 117.533 119.800 0.027 0.000 2.079 396 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 396 Q C 2.072 178.099 176.000 0.046 0.000 0.974 396 Q CA 1.650 57.465 55.803 0.020 0.000 0.840 396 Q CB -0.351 28.398 28.738 0.019 0.000 0.898 396 Q HN 0.852 nan 8.270 nan 0.000 0.430 397 Y N 1.613 121.877 120.300 -0.060 0.000 2.114 397 Y HA -0.200 4.349 4.550 -0.000 0.000 0.284 397 Y C 2.095 177.941 175.900 -0.090 0.000 1.143 397 Y CA 1.559 59.618 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 -0.117 nan 8.280 nan 0.000 0.499 398 R N 0.333 120.759 120.500 -0.124 0.000 2.154 398 R HA -0.217 4.123 4.340 -0.000 0.000 0.248 398 R C 2.275 178.418 176.300 -0.262 0.000 1.155 398 R CA 1.884 57.831 56.100 -0.255 0.000 0.979 398 R CB -0.266 29.966 30.300 -0.113 0.000 0.869 398 R HN 0.548 nan 8.270 nan 0.000 0.452 399 E N -0.446 119.637 120.200 -0.195 0.000 2.072 399 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 399 E C 1.784 178.140 176.600 -0.407 0.000 0.985 399 E CA 1.401 57.664 56.400 -0.228 0.000 0.801 399 E CB 0.208 29.820 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.633 120.295 119.914 -0.420 0.000 2.992 400 V HA -0.015 4.104 4.120 -0.000 0.000 0.250 400 V C 2.143 177.910 176.094 -0.546 0.000 1.090 400 V CA 0.868 62.791 62.300 -0.629 0.000 1.101 400 V CB -0.056 31.607 31.823 -0.266 0.000 0.743 400 V HN 0.227 nan 8.190 nan 0.000 0.468 401 A N 1.299 123.810 122.820 -0.515 0.000 1.916 401 A HA -0.409 3.911 4.320 -0.000 0.000 0.224 401 A C 2.435 179.890 177.584 -0.214 0.000 1.366 401 A CA 3.119 54.843 52.037 -0.522 0.000 0.692 401 A CB -1.235 17.284 19.000 -0.802 0.000 0.841 401 A HN 0.723 nan 8.150 nan 0.000 0.480 402 A N -1.732 120.963 122.820 -0.208 0.000 1.997 402 A HA -0.088 4.232 4.320 -0.000 0.000 0.221 402 A C 1.925 179.649 177.584 0.232 0.000 1.172 402 A CA 1.979 54.013 52.037 -0.005 0.000 0.645 402 A CB -0.759 18.231 19.000 -0.016 0.000 0.813 402 A HN 0.541 nan 8.150 nan 0.000 0.454 403 F N -0.051 119.910 119.950 0.018 0.000 2.146 403 F HA -0.049 4.478 4.527 -0.000 0.000 0.298 403 F C 2.772 178.635 175.800 0.106 0.000 1.096 403 F CA -0.005 58.032 58.000 0.062 0.000 1.275 403 F CB -1.534 37.489 39.000 0.039 0.000 1.008 403 F HN 0.326 nan 8.300 nan 0.000 0.480 404 A N 0.560 123.549 122.820 0.282 0.000 1.883 404 A HA -0.376 3.944 4.320 -0.000 0.000 0.226 404 A C 2.010 179.690 177.584 0.159 0.000 1.512 404 A CA 2.654 54.806 52.037 0.191 0.000 0.738 404 A CB -1.466 17.625 19.000 0.152 0.000 0.848 404 A HN 0.498 nan 8.150 nan 0.000 0.477 405 Q N -2.193 117.702 119.800 0.158 0.000 2.585 405 Q HA -0.064 4.276 4.340 -0.000 0.000 0.219 405 Q C 0.186 176.133 176.000 -0.089 0.000 0.984 405 Q CA 1.063 56.901 55.803 0.059 0.000 0.915 405 Q CB -0.204 28.595 28.738 0.103 0.000 0.967 405 Q HN 0.757 nan 8.270 nan 0.000 0.530 406 F N -2.816 117.163 119.950 0.047 0.000 3.022 406 F HA 0.243 4.770 4.527 -0.000 0.000 0.351 406 F C 1.150 176.948 175.800 -0.002 0.000 1.170 406 F CA -0.541 57.468 58.000 0.016 0.000 1.066 406 F CB 0.824 39.826 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.342 109.232 108.800 0.149 0.000 2.991 407 G HA2 0.053 4.012 3.960 -0.000 0.000 0.262 407 G HA3 0.053 4.012 3.960 -0.000 0.000 0.262 407 G C 0.900 175.828 174.900 0.048 0.000 0.765 407 G CA 0.401 45.556 45.100 0.092 0.000 2.051 407 G HN 0.228 nan 8.290 nan 0.000 0.602 408 S N -0.145 115.580 115.700 0.041 0.000 2.528 408 S HA -0.055 4.415 4.470 -0.000 0.000 0.244 408 S C 0.746 175.353 174.600 0.012 0.000 0.982 408 S CA 1.082 59.294 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 0.637 nan 8.310 nan 0.000 0.529 409 D N -0.185 120.221 120.400 0.011 0.000 4.135 409 D HA 0.147 4.787 4.640 -0.000 0.000 0.227 409 D C -1.004 175.300 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.171 40.629 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.808 122.045 121.223 0.023 0.000 2.375 410 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 410 L C 0.767 177.657 176.870 0.033 0.000 1.107 410 L CA -1.071 53.790 54.840 0.034 0.000 0.806 410 L CB 0.488 42.593 42.059 0.076 0.000 1.146 410 L HN 0.217 nan 8.230 nan 0.000 0.447 411 D N 1.078 121.498 120.400 0.033 0.000 2.390 411 D HA 0.113 4.753 4.640 -0.000 0.000 0.236 411 D C 0.840 177.158 176.300 0.031 0.000 1.189 411 D CA -0.012 54.005 54.000 0.027 0.000 0.887 411 D CB 0.971 41.787 40.800 0.027 0.000 1.198 411 D HN 0.610 nan 8.370 nan 0.000 0.444 412 A N 1.166 123.998 122.820 0.020 0.000 2.239 412 A HA 0.210 4.530 4.320 -0.000 0.000 0.209 412 A C 2.024 179.618 177.584 0.017 0.000 1.171 412 A CA 1.060 53.107 52.037 0.016 0.000 0.768 412 A CB -0.944 18.060 19.000 0.007 0.000 0.790 412 A HN 0.671 nan 8.150 nan 0.000 0.478 413 A N 0.139 122.972 122.820 0.022 0.000 1.832 413 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 413 A C 2.484 180.086 177.584 0.030 0.000 1.200 413 A CA 2.329 54.378 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 -2.294 112.291 114.554 0.052 0.000 2.904 414 T HA -0.180 4.169 4.350 -0.000 0.000 0.267 414 T C 1.918 176.665 174.700 0.077 0.000 1.059 414 T CA 1.534 63.678 62.100 0.075 0.000 1.137 414 T CB -0.425 68.517 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.264 120.103 119.800 0.065 0.000 2.291 415 Q HA -0.219 4.120 4.340 -0.000 0.000 0.206 415 Q C 2.402 178.421 176.000 0.032 0.000 0.976 415 Q CA 1.569 57.406 55.803 0.057 0.000 0.875 415 Q CB -0.154 28.609 28.738 0.042 0.000 0.927 415 Q HN 0.647 nan 8.270 nan 0.000 0.450 416 Q N 0.813 120.624 119.800 0.019 0.000 2.020 416 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 416 Q C 2.121 178.114 176.000 -0.011 0.000 0.974 416 Q CA 1.979 57.778 55.803 -0.007 0.000 0.829 416 Q CB -0.528 28.201 28.738 -0.016 0.000 0.894 416 Q HN 0.569 nan 8.270 nan 0.000 0.433 417 L N -0.990 120.242 121.223 0.014 0.000 2.187 417 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 417 L C 2.302 179.203 176.870 0.052 0.000 1.100 417 L CA 1.038 55.892 54.840 0.025 0.000 0.765 417 L CB -0.904 41.185 42.059 0.051 0.000 0.904 417 L HN 0.134 nan 8.230 nan 0.000 0.437 418 L N -0.095 121.184 121.223 0.092 0.000 2.056 418 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 418 L C 2.824 179.661 176.870 -0.054 0.000 1.078 418 L CA 1.135 56.060 54.840 0.142 0.000 0.749 418 L CB -0.575 41.584 42.059 0.167 0.000 0.901 418 L HN 0.219 nan 8.230 nan 0.000 0.433 419 S N -0.652 115.015 115.700 -0.055 0.000 2.348 419 S HA -0.145 4.325 4.470 -0.000 0.000 0.221 419 S C 2.132 176.627 174.600 -0.175 0.000 1.033 419 S CA 0.934 59.073 58.200 -0.101 0.000 1.010 419 S CB -0.195 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 1.214 121.615 120.500 -0.163 0.000 2.103 420 R HA -0.055 4.285 4.340 -0.000 0.000 0.242 420 R C 2.394 178.507 176.300 -0.312 0.000 1.142 420 R CA 1.555 57.539 56.100 -0.193 0.000 0.960 420 R CB -1.592 28.621 30.300 -0.145 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.193 108.701 108.800 -0.487 0.000 2.553 421 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 421 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 421 G C 1.473 175.738 174.900 -1.059 0.000 1.195 421 G CA 1.963 46.359 45.100 -1.173 0.000 0.779 421 G HN 0.356 nan 8.290 nan 0.000 0.577 422 V N -1.117 118.365 119.914 -0.719 0.000 2.515 422 V HA 0.039 4.159 4.120 -0.000 0.000 0.250 422 V C 2.680 178.645 176.094 -0.214 0.000 1.058 422 V CA 2.138 64.236 62.300 -0.337 0.000 1.064 422 V CB -0.558 31.175 31.823 -0.149 0.000 0.675 422 V HN 0.194 nan 8.190 nan 0.000 0.461 423 R N 0.392 120.762 120.500 -0.216 0.000 2.057 423 R HA 0.243 4.583 4.340 -0.000 0.000 0.229 423 R C 2.331 178.539 176.300 -0.154 0.000 1.136 423 R CA 1.756 57.756 56.100 -0.166 0.000 0.952 423 R CB -0.900 29.295 30.300 -0.175 0.000 0.848 423 R HN 0.489 nan 8.270 nan 0.000 0.430 424 L N -0.025 121.091 121.223 -0.180 0.000 2.043 424 L HA -0.254 4.085 4.340 -0.000 0.000 0.212 424 L C 2.070 178.883 176.870 -0.095 0.000 1.075 424 L CA 1.721 56.482 54.840 -0.131 0.000 0.752 424 L CB -0.772 41.208 42.059 -0.131 0.000 0.891 424 L HN 0.314 nan 8.230 nan 0.000 0.432 425 T N -1.086 113.399 114.554 -0.115 0.000 2.788 425 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 425 T C 1.740 176.420 174.700 -0.033 0.000 1.044 425 T CA 1.108 63.178 62.100 -0.048 0.000 1.139 425 T CB -0.128 68.724 68.868 -0.027 0.000 0.867 425 T HN 0.306 nan 8.240 nan 0.000 0.454 426 E N 0.876 121.045 120.200 -0.051 0.000 2.268 426 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 426 E C 2.121 178.708 176.600 -0.022 0.000 0.995 426 E CA 0.473 56.855 56.400 -0.031 0.000 0.836 426 E CB -0.190 29.487 29.700 -0.038 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.052 121.255 121.223 -0.032 0.000 2.313 427 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 427 L C 2.166 179.036 176.870 -0.000 0.000 1.119 427 L CA 0.353 55.185 54.840 -0.014 0.000 0.809 427 L CB -0.156 41.887 42.059 -0.026 0.000 0.933 427 L HN 0.076 nan 8.230 nan 0.000 0.449 428 L N -0.687 120.533 121.223 -0.005 0.000 2.478 428 L HA -0.024 4.316 4.340 -0.000 0.000 0.223 428 L C 1.115 177.987 176.870 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 -0.000 0.000 0.262 429 K C -0.123 176.474 176.600 -0.005 0.000 0.992 429 K CA 0.418 56.700 56.287 -0.009 0.000 0.927 429 K CB 0.454 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 -0.526 119.265 119.800 -0.015 0.000 2.503 430 Q HA 0.210 4.550 4.340 -0.000 0.000 0.268 430 Q C -0.928 175.059 176.000 -0.021 0.000 0.982 430 Q CA -0.539 55.258 55.803 -0.010 0.000 0.907 430 Q CB 1.964 30.696 28.738 -0.010 0.000 1.467 430 Q HN 0.849 nan 8.270 nan 0.000 0.394 431 G N 1.064 109.859 108.800 -0.008 0.000 2.562 431 G HA2 0.341 4.301 3.960 -0.000 0.000 0.275 431 G HA3 0.341 4.301 3.960 -0.000 0.000 0.275 431 G C -0.533 174.346 174.900 -0.035 0.000 1.196 431 G CA -0.064 45.034 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.539 118.219 119.800 -0.069 0.000 2.256 432 Q HA 0.349 4.688 4.340 -0.000 0.000 0.232 432 Q C -0.335 175.546 176.000 -0.197 0.000 0.965 432 Q CA -0.482 55.140 55.803 -0.301 0.000 0.908 432 Q CB 0.514 28.930 28.738 -0.537 0.000 1.209 432 Q HN 0.566 nan 8.270 nan 0.000 0.489 433 Y N -1.397 118.908 120.300 0.009 0.000 4.538 433 Y HA -0.290 4.260 4.550 -0.000 0.000 0.225 433 Y C -0.176 175.724 175.900 0.001 0.000 1.074 433 Y CA 0.906 59.007 58.100 0.002 0.000 1.942 433 Y CB -2.449 36.010 38.460 -0.002 0.000 1.618 433 Y HN 0.403 nan 8.280 nan 0.000 0.642 434 S N -1.501 114.241 115.700 0.071 0.000 2.317 434 S HA 0.536 5.006 4.470 -0.000 0.000 0.144 434 S C -2.643 171.967 174.600 0.017 0.000 1.660 434 S CA -1.206 57.024 58.200 0.051 0.000 1.273 434 S CB 1.723 64.955 63.200 0.054 0.000 1.330 434 S HN 0.025 nan 8.310 nan 0.000 0.395 435 P HA 0.310 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 -0.288 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 1.025 120.625 119.600 -0.000 0.000 2.528 436 M HA 0.712 5.192 4.480 -0.000 0.000 0.318 436 M C 0.008 176.303 176.300 -0.008 0.000 1.195 436 M CA -1.244 54.051 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 1.611 124.414 122.820 -0.029 0.000 2.450 437 A HA 0.284 4.604 4.320 -0.000 0.000 0.255 437 A C 0.932 178.518 177.584 0.003 0.000 1.096 437 A CA -0.546 51.473 52.037 -0.029 0.000 0.778 437 A CB -0.063 18.898 19.000 -0.065 0.000 1.031 437 A HN 0.937 nan 8.150 nan 0.000 0.494 438 I N 1.908 122.498 120.570 0.034 0.000 2.290 438 I HA -0.297 3.873 4.170 -0.000 0.000 0.253 438 I C 1.891 178.017 176.117 0.016 0.000 1.112 438 I CA 2.224 63.544 61.300 0.033 0.000 1.377 438 I CB -0.196 37.832 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.137 120.063 120.200 0.001 0.000 2.152 439 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 439 E C 2.064 178.653 176.600 -0.018 0.000 0.983 439 E CA 1.267 57.659 56.400 -0.013 0.000 0.818 439 E CB -0.264 29.419 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 4.216 4.350 -0.000 0.000 0.191 440 E C 2.047 178.659 176.600 0.021 0.000 0.982 440 E CA 0.842 57.231 56.400 -0.019 0.000 0.809 440 E CB 0.044 29.725 29.700 -0.031 0.000 0.756 440 E HN 0.299 nan 8.360 nan 0.000 0.459 441 Q N 0.193 120.008 119.800 0.024 0.000 2.046 441 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 441 Q C 2.601 178.635 176.000 0.057 0.000 0.975 441 Q CA 1.834 57.660 55.803 0.039 0.000 0.836 441 Q CB -0.321 28.435 28.738 0.031 0.000 0.896 441 Q HN 0.340 nan 8.270 nan 0.000 0.428 442 V N -1.002 118.941 119.914 0.048 0.000 2.407 442 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 442 V C 2.158 178.311 176.094 0.099 0.000 1.055 442 V CA 1.788 64.127 62.300 0.067 0.000 1.049 442 V CB -1.021 30.830 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.127 123.990 122.820 0.072 0.000 1.883 443 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 443 A C 2.560 180.298 177.584 0.256 0.000 1.186 443 A CA 2.998 55.103 52.037 0.114 0.000 0.624 443 A CB -1.108 17.934 19.000 0.070 0.000 0.822 443 A HN 1.278 nan 8.150 nan 0.000 0.444 444 V N -1.146 118.904 119.914 0.226 0.000 2.307 444 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 444 V C 2.136 178.310 176.094 0.132 0.000 1.045 444 V CA 1.814 64.242 62.300 0.213 0.000 1.024 444 V CB -0.814 31.120 31.823 0.186 0.000 0.651 444 V HN 0.432 nan 8.190 nan 0.000 0.449 445 I N 0.065 120.703 120.570 0.113 0.000 2.208 445 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 445 I C 2.628 178.806 176.117 0.102 0.000 1.097 445 I CA 2.688 64.034 61.300 0.076 0.000 1.363 445 I CB -1.498 36.541 38.000 0.065 0.000 1.051 445 I HN 0.568 nan 8.210 nan 0.000 0.413 446 Y N 2.318 122.630 120.300 0.020 0.000 2.151 446 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 446 Y C 2.636 178.556 175.900 0.035 0.000 1.166 446 Y CA 1.985 60.103 58.100 0.030 0.000 1.163 446 Y CB -0.439 38.054 38.460 0.055 0.000 0.974 446 Y HN 0.135 nan 8.280 nan 0.000 0.511 447 A N 0.212 123.152 122.820 0.201 0.000 1.884 447 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 447 A C 2.479 180.017 177.584 -0.077 0.000 1.197 447 A CA 2.330 54.400 52.037 0.056 0.000 0.637 447 A CB -1.739 17.177 19.000 -0.140 0.000 0.827 447 A HN 0.637 nan 8.150 nan 0.000 0.450 448 G N -1.597 107.125 108.800 -0.129 0.000 2.411 448 G HA2 0.071 4.031 3.960 -0.000 0.000 0.213 448 G HA3 0.071 4.031 3.960 -0.000 0.000 0.213 448 G C 1.502 176.286 174.900 -0.193 0.000 1.166 448 G CA 0.857 45.848 45.100 -0.182 0.000 0.802 448 G HN 0.304 nan 8.290 nan 0.000 0.533 449 V N 0.882 120.698 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 449 V C 2.925 178.864 176.094 -0.258 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 -0.424 119.846 120.500 -0.384 0.000 2.280 450 R HA 0.056 4.396 4.340 -0.000 0.000 0.207 450 R C 1.801 177.744 176.300 -0.595 0.000 1.043 450 R CA 0.904 56.678 56.100 -0.544 0.000 1.006 450 R CB -0.595 29.220 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.772 107.745 108.800 -0.472 0.000 2.201 451 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.212 451 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.212 451 G C 0.644 175.299 174.900 -0.409 0.000 0.994 451 G CA 0.133 44.984 45.100 -0.415 0.000 0.644 451 G HN 0.280 nan 8.290 nan 0.000 0.508 452 Y N 0.854 121.023 120.300 -0.217 0.000 2.241 452 Y HA 0.042 4.591 4.550 -0.000 0.000 0.286 452 Y C 2.712 178.445 175.900 -0.277 0.000 1.166 452 Y CA 1.803 59.776 58.100 -0.211 0.000 1.203 452 Y CB -0.317 38.022 38.460 -0.202 0.000 0.977 452 Y HN 0.409 nan 8.280 nan 0.000 0.529 453 L N -0.679 120.407 121.223 -0.227 0.000 2.611 453 L HA 0.086 4.426 4.340 -0.000 0.000 0.229 453 L C 0.929 177.676 176.870 -0.206 0.000 1.137 453 L CA 0.018 54.665 54.840 -0.322 0.000 0.901 453 L CB -0.254 41.532 42.059 -0.455 0.000 1.098 453 L HN 0.008 nan 8.230 nan 0.000 0.456 454 D N 1.540 121.839 120.400 -0.167 0.000 2.178 454 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 454 D C 1.732 177.977 176.300 -0.092 0.000 0.980 454 D CA 1.343 55.263 54.000 -0.133 0.000 0.842 454 D CB 0.085 40.805 40.800 -0.133 0.000 0.948 454 D HN 0.314 nan 8.370 nan 0.000 0.472 455 K N -0.537 119.819 120.400 -0.072 0.000 2.374 455 K HA 0.141 4.461 4.320 -0.000 0.000 0.196 455 K C 0.358 176.946 176.600 -0.021 0.000 1.023 455 K CA -0.388 55.878 56.287 -0.035 0.000 1.103 455 K CB 0.568 33.060 32.500 -0.013 0.000 0.848 455 K HN 0.003 nan 8.250 nan 0.000 0.528 456 L N 1.523 122.715 121.223 -0.051 0.000 2.453 456 L HA 0.115 4.455 4.340 -0.000 0.000 0.261 456 L C 0.043 176.904 176.870 -0.015 0.000 1.179 456 L CA 0.073 54.898 54.840 -0.026 0.000 0.813 456 L CB 0.707 42.690 42.059 -0.127 0.000 1.110 456 L HN 0.034 nan 8.230 nan 0.000 0.466 457 E N 3.935 124.156 120.200 0.035 0.000 2.259 457 E HA 0.132 4.482 4.350 -0.000 0.000 0.281 457 E C -1.782 174.829 176.600 0.018 0.000 1.037 457 E CA -1.566 54.852 56.400 0.031 0.000 0.854 457 E CB 1.347 31.084 29.700 0.062 0.000 1.051 457 E HN 0.472 nan 8.360 nan 0.000 0.409 458 P HA -0.267 nan 4.420 nan 0.000 0.217 458 P C 1.394 178.705 177.300 0.018 0.000 1.158 458 P CA 1.826 64.919 63.100 -0.011 0.000 0.887 458 P CB 0.073 31.767 31.700 -0.011 0.000 0.792 459 S N -1.471 114.250 115.700 0.035 0.000 2.465 459 S HA -0.160 4.310 4.470 -0.000 0.000 0.241 459 S C 1.571 176.223 174.600 0.087 0.000 1.000 459 S CA 1.370 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 0.110 nan 8.310 nan 0.000 0.512 460 K N 0.649 121.118 120.400 0.114 0.000 2.354 460 K HA 0.430 4.749 4.320 -0.000 0.000 0.194 460 K C 1.734 178.432 176.600 0.162 0.000 1.045 460 K CA 0.152 56.559 56.287 0.201 0.000 1.026 460 K CB -0.210 32.496 32.500 0.343 0.000 0.866 460 K HN 0.289 nan 8.250 nan 0.000 0.530 461 I N 1.287 121.895 120.570 0.063 0.000 2.185 461 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 461 I C 1.367 177.542 176.117 0.096 0.000 1.088 461 I CA 1.685 62.998 61.300 0.023 0.000 1.347 461 I CB -1.513 36.459 38.000 -0.048 0.000 1.041 461 I HN 0.158 nan 8.210 nan 0.000 0.415 462 T N 0.617 115.223 114.554 0.087 0.000 2.788 462 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 462 T C 1.987 176.759 174.700 0.120 0.000 1.044 462 T CA 1.362 63.515 62.100 0.088 0.000 1.139 462 T CB -0.142 68.766 68.868 0.067 0.000 0.867 462 T HN 0.348 nan 8.240 nan 0.000 0.454 463 K N -0.025 120.474 120.400 0.166 0.000 2.116 463 K HA -0.010 4.310 4.320 -0.000 0.000 0.203 463 K C 2.080 178.788 176.600 0.180 0.000 1.052 463 K CA 0.658 57.076 56.287 0.218 0.000 0.952 463 K CB -0.240 32.464 32.500 0.338 0.000 0.729 463 K HN 0.328 nan 8.250 nan 0.000 0.446 464 F N 2.542 122.425 119.950 -0.113 0.000 2.026 464 F HA -0.233 4.293 4.527 -0.000 0.000 0.296 464 F C 2.372 178.096 175.800 -0.128 0.000 1.133 464 F CA 2.147 59.897 58.000 -0.416 0.000 1.188 464 F CB -0.494 38.197 39.000 -0.514 0.000 0.968 464 F HN 0.140 nan 8.300 nan 0.000 0.476 465 E N 0.269 120.603 120.200 0.223 0.000 2.065 465 E HA -0.357 3.993 4.350 -0.000 0.000 0.201 465 E C 2.225 178.852 176.600 0.044 0.000 1.016 465 E CA 1.611 58.117 56.400 0.178 0.000 0.818 465 E CB -0.579 29.226 29.700 0.175 0.000 0.749 465 E HN 0.449 nan 8.360 nan 0.000 0.453 466 N N 0.227 118.955 118.700 0.048 0.000 2.037 466 N HA -0.222 4.518 4.740 -0.000 0.000 0.196 466 N C 1.710 177.228 175.510 0.014 0.000 1.034 466 N CA 2.037 55.110 53.050 0.038 0.000 0.861 466 N CB -0.357 38.172 38.487 0.070 0.000 1.039 466 N HN 0.285 nan 8.380 nan 0.000 0.427 467 A N -0.169 122.672 122.820 0.035 0.000 1.897 467 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 467 A C 2.161 179.726 177.584 -0.031 0.000 1.181 467 A CA 0.843 52.947 52.037 0.112 0.000 0.620 467 A CB -0.926 18.258 19.000 0.306 0.000 0.821 467 A HN 0.429 nan 8.150 nan 0.000 0.443 468 F N 0.203 119.789 119.950 -0.607 0.000 2.134 468 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 468 F C 1.730 177.209 175.800 -0.534 0.000 1.097 468 F CA 1.726 59.001 58.000 -1.209 0.000 1.264 468 F CB -0.284 37.828 39.000 -1.480 0.000 1.001 468 F HN 0.179 nan 8.300 nan 0.000 0.479 469 L N -0.178 120.811 121.223 -0.389 0.000 2.217 469 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 469 L C 2.327 179.041 176.870 -0.261 0.000 1.107 469 L CA 1.576 56.209 54.840 -0.345 0.000 0.783 469 L CB -0.912 41.084 42.059 -0.106 0.000 0.919 469 L HN 0.117 nan 8.230 nan 0.000 0.442 470 S N -1.624 113.984 115.700 -0.153 0.000 2.387 470 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 470 S C 1.875 176.451 174.600 -0.040 0.000 1.026 470 S CA 1.172 59.337 58.200 -0.058 0.000 0.972 470 S CB -0.457 62.755 63.200 0.019 0.000 0.814 470 S HN 0.661 nan 8.310 nan 0.000 0.477 471 H N 2.053 121.023 119.070 -0.167 0.000 2.293 471 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 471 H C 2.160 177.400 175.328 -0.147 0.000 1.082 471 H CA 2.076 58.064 56.048 -0.099 0.000 1.308 471 H CB -0.697 29.064 29.762 -0.000 0.000 1.375 471 H HN 0.217 nan 8.280 nan 0.000 0.495 472 V N -0.833 118.734 119.914 -0.579 0.000 2.809 472 V HA -0.046 4.074 4.120 -0.000 0.000 0.256 472 V C 2.304 178.232 176.094 -0.275 0.000 1.080 472 V CA 1.761 63.764 62.300 -0.495 0.000 1.102 472 V CB -0.760 30.671 31.823 -0.652 0.000 0.705 472 V HN 0.434 nan 8.190 nan 0.000 0.475 473 I N 0.867 121.296 120.570 -0.234 0.000 2.761 473 I HA -0.093 4.077 4.170 -0.000 0.000 0.261 473 I C 2.616 178.663 176.117 -0.117 0.000 1.198 473 I CA 1.387 62.597 61.300 -0.149 0.000 1.482 473 I CB 0.040 37.967 38.000 -0.121 0.000 1.100 473 I HN 0.547 nan 8.210 nan 0.000 0.445 474 S N 0.071 115.700 115.700 -0.117 0.000 2.324 474 S HA -0.086 4.384 4.470 -0.000 0.000 0.210 474 S C 1.916 176.448 174.600 -0.113 0.000 1.027 474 S CA 0.510 58.664 58.200 -0.077 0.000 0.945 474 S CB -0.096 63.097 63.200 -0.012 0.000 0.908 474 S HN 0.284 nan 8.310 nan 0.000 0.496 475 Q N -0.009 119.690 119.800 -0.168 0.000 2.096 475 Q HA 0.017 4.357 4.340 -0.000 0.000 0.197 475 Q C 0.641 176.372 176.000 -0.447 0.000 0.964 475 Q CA 1.129 56.765 55.803 -0.278 0.000 0.838 475 Q CB -0.318 28.237 28.738 -0.305 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.606 119.508 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.726 4.556 -0.000 0.000 0.302 476 H C 0.812 176.037 175.328 -0.172 0.000 1.163 476 H CA -0.105 55.810 56.048 -0.221 0.000 1.049 476 H CB 0.238 29.833 29.762 -0.279 0.000 1.543 476 H HN 0.141 nan 8.280 nan 0.000 0.523 477 Q N 0.084 119.831 119.800 -0.087 0.000 2.541 477 Q HA 0.003 4.343 4.340 -0.000 0.000 0.215 477 Q C 1.611 177.577 176.000 -0.056 0.000 0.977 477 Q CA 0.661 56.420 55.803 -0.072 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 0.094 122.885 122.820 -0.048 0.000 2.044 478 A HA 0.036 4.355 4.320 -0.000 0.000 0.213 478 A C 1.812 179.383 177.584 -0.022 0.000 1.169 478 A CA 0.016 52.032 52.037 -0.036 0.000 0.724 478 A CB -0.067 18.910 19.000 -0.039 0.000 0.840 478 A HN 0.347 nan 8.150 nan 0.000 0.463 479 L N -0.447 120.772 121.223 -0.007 0.000 2.127 479 L HA 0.019 4.359 4.340 -0.000 0.000 0.203 479 L C 2.213 179.055 176.870 -0.046 0.000 1.080 479 L CA 0.950 55.778 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 -0.367 120.824 121.223 -0.053 0.000 2.083 480 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 480 L C 2.603 179.445 176.870 -0.046 0.000 1.083 480 L CA 1.281 56.084 54.840 -0.061 0.000 0.752 480 L CB -1.185 40.830 42.059 -0.074 0.000 0.899 480 L HN 0.354 nan 8.230 nan 0.000 0.433 481 G N -0.237 108.538 108.800 -0.042 0.000 2.432 481 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 481 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 481 G C 1.705 176.589 174.900 -0.027 0.000 1.135 481 G CA 0.468 45.547 45.100 -0.034 0.000 0.767 481 G HN 0.279 nan 8.290 nan 0.000 0.550 482 K N -0.113 120.270 120.400 -0.028 0.000 1.967 482 K HA 0.075 4.395 4.320 -0.000 0.000 0.212 482 K C 2.418 179.003 176.600 -0.025 0.000 1.044 482 K CA 0.934 57.207 56.287 -0.024 0.000 0.942 482 K CB -0.354 32.132 32.500 -0.025 0.000 0.726 482 K HN 0.224 nan 8.250 nan 0.000 0.440 483 I N 1.171 121.720 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.733 4.170 -0.000 0.000 0.243 483 I C 2.763 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.484 62.764 61.300 -0.034 0.000 1.308 483 I CB -0.306 37.665 38.000 -0.049 0.000 1.015 483 I HN 0.283 nan 8.210 nan 0.000 0.410 484 R N 0.248 120.735 120.500 -0.021 0.000 2.127 484 R HA -0.201 4.139 4.340 -0.000 0.000 0.228 484 R C 2.302 178.598 176.300 -0.007 0.000 1.125 484 R CA 2.717 58.810 56.100 -0.011 0.000 0.904 484 R CB -0.757 29.534 30.300 -0.015 0.000 0.831 484 R HN 0.253 nan 8.270 nan 0.000 0.431 485 T N 1.250 115.798 114.554 -0.010 0.000 2.516 485 T HA -0.186 4.164 4.350 -0.000 0.000 0.261 485 T C 1.303 175.999 174.700 -0.007 0.000 1.130 485 T CA 2.135 64.230 62.100 -0.008 0.000 1.193 485 T CB -0.698 68.164 68.868 -0.010 0.000 0.864 485 T HN 0.399 nan 8.240 nan 0.000 0.410 486 D N 0.339 120.734 120.400 -0.009 0.000 2.357 486 D HA 0.017 4.657 4.640 -0.000 0.000 0.216 486 D C 1.630 177.927 176.300 -0.005 0.000 0.973 486 D CA 1.151 55.147 54.000 -0.007 0.000 0.912 486 D CB -0.805 39.990 40.800 -0.008 0.000 0.900 486 D HN 0.610 nan 8.370 nan 0.000 0.501 487 G N 0.313 109.109 108.800 -0.006 0.000 2.205 487 G HA2 -0.394 3.565 3.960 -0.000 0.000 0.269 487 G HA3 -0.394 3.565 3.960 -0.000 0.000 0.269 487 G C 0.474 175.372 174.900 -0.002 0.000 0.977 487 G CA 1.490 46.587 45.100 -0.004 0.000 0.652 487 G HN 0.630 nan 8.290 nan 0.000 0.539 488 K N -1.764 118.634 120.400 -0.003 0.000 2.305 488 K HA 0.787 5.106 4.320 -0.000 0.000 0.268 488 K C -1.057 175.541 176.600 -0.004 0.000 1.034 488 K CA -1.370 54.918 56.287 0.002 0.000 0.879 488 K CB 0.868 33.372 32.500 0.007 0.000 1.506 488 K HN 0.074 nan 8.250 nan 0.000 0.425 489 I N 2.814 123.386 120.570 0.004 0.000 2.310 489 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 489 I C -0.192 175.928 176.117 0.005 0.000 1.073 489 I CA -0.068 61.227 61.300 -0.009 0.000 1.216 489 I CB 1.287 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 3.504 119.201 115.700 -0.005 0.000 2.580 490 S HA 0.044 4.514 4.470 -0.000 0.000 0.266 490 S C 1.221 175.829 174.600 0.014 0.000 1.354 490 S CA -0.399 57.804 58.200 0.005 0.000 1.008 490 S CB 0.839 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 0.572 120.785 120.200 0.021 0.000 2.160 491 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 491 E C 1.706 178.324 176.600 0.029 0.000 0.991 491 E CA 1.274 57.693 56.400 0.032 0.000 0.810 491 E CB -0.019 29.698 29.700 0.028 0.000 0.742 491 E HN 0.797 nan 8.360 nan 0.000 0.466 492 E N -0.099 120.111 120.200 0.016 0.000 1.999 492 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 492 E C 2.166 178.767 176.600 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 1.295 116.985 115.700 -0.016 0.000 2.423 493 S HA -0.215 4.255 4.470 -0.000 0.000 0.238 493 S C 1.530 176.084 174.600 -0.077 0.000 1.028 493 S CA 1.178 59.349 58.200 -0.048 0.000 1.000 493 S CB -0.348 62.817 63.200 -0.060 0.000 0.797 493 S HN 0.311 nan 8.310 nan 0.000 0.487 494 D N 1.311 121.691 120.400 -0.033 0.000 2.097 494 D HA -0.078 4.561 4.640 -0.000 0.000 0.195 494 D C 2.120 178.453 176.300 0.055 0.000 0.989 494 D CA 1.303 55.305 54.000 0.004 0.000 0.827 494 D CB -0.156 40.701 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.882 123.735 122.820 0.055 0.000 1.933 495 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 495 A C 2.173 179.780 177.584 0.038 0.000 1.175 495 A CA 1.830 53.906 52.037 0.065 0.000 0.628 495 A CB -0.461 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 -0.482 119.921 120.400 0.005 0.000 2.097 496 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 496 K C 1.810 178.380 176.600 -0.051 0.000 1.050 496 K CA 1.128 57.409 56.287 -0.010 0.000 0.938 496 K CB -0.290 32.202 32.500 -0.014 0.000 0.718 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 L N 1.111 122.278 121.223 -0.093 0.000 2.056 497 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 497 L C 2.584 179.444 176.870 -0.017 0.000 1.078 497 L CA 1.430 56.192 54.840 -0.130 0.000 0.749 497 L CB -0.359 41.465 42.059 -0.393 0.000 0.901 497 L HN 0.233 nan 8.230 nan 0.000 0.433 498 K N 0.086 120.528 120.400 0.071 0.000 2.020 498 K HA -0.293 4.027 4.320 -0.000 0.000 0.212 498 K C 1.999 178.561 176.600 -0.063 0.000 1.050 498 K CA 2.088 58.404 56.287 0.048 0.000 0.929 498 K CB -0.012 32.590 32.500 0.169 0.000 0.714 498 K HN 0.116 nan 8.250 nan 0.000 0.443 499 E N 0.703 120.904 120.200 0.003 0.000 2.051 499 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 499 E C 1.922 178.543 176.600 0.035 0.000 0.991 499 E CA 1.488 57.901 56.400 0.022 0.000 0.799 499 E CB -0.141 29.587 29.700 0.046 0.000 0.748 499 E HN 0.370 nan 8.360 nan 0.000 0.449 500 I N 0.132 120.713 120.570 0.018 0.000 2.194 500 I HA -0.285 3.885 4.170 -0.000 0.000 0.246 500 I C 2.334 178.561 176.117 0.183 0.000 1.093 500 I CA 1.401 62.736 61.300 0.058 0.000 1.355 500 I CB -0.424 37.484 38.000 -0.153 0.000 1.046 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -1.825 118.121 119.914 0.053 0.000 2.649 501 V HA -0.094 4.025 4.120 -0.000 0.000 0.248 501 V C 2.360 178.440 176.094 -0.023 0.000 1.054 501 V CA 1.635 63.928 62.300 -0.012 0.000 1.073 501 V CB -1.154 30.474 31.823 -0.325 0.000 0.699 501 V HN 0.545 nan 8.190 nan 0.000 0.463 502 T N -2.468 112.020 114.554 -0.111 0.000 3.055 502 T HA -0.005 4.345 4.350 -0.000 0.000 0.265 502 T C 1.655 176.404 174.700 0.082 0.000 1.111 502 T CA 1.296 63.381 62.100 -0.025 0.000 1.118 502 T CB -0.533 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 -0.044 118.728 118.700 0.120 0.000 2.432 503 N HA 0.199 4.939 4.740 -0.000 0.000 0.174 503 N C 1.197 176.798 175.510 0.152 0.000 1.037 503 N CA 0.285 53.409 53.050 0.122 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 2.057 122.066 119.950 0.099 0.000 2.146 504 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 504 F C 2.155 178.058 175.800 0.171 0.000 1.096 504 F CA 0.806 58.872 58.000 0.110 0.000 1.275 504 F CB -0.222 38.889 39.000 0.185 0.000 1.008 504 F HN -0.097 nan 8.300 nan 0.000 0.480 505 L N -0.355 121.150 121.223 0.470 0.000 2.017 505 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 505 L C 2.741 179.782 176.870 0.284 0.000 1.073 505 L CA 1.312 56.421 54.840 0.449 0.000 0.745 505 L CB -0.925 41.326 42.059 0.321 0.000 0.894 505 L HN 0.259 nan 8.230 nan 0.000 0.432 506 A N -0.030 122.891 122.820 0.169 0.000 1.883 506 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 506 A C 2.332 179.946 177.584 0.050 0.000 1.186 506 A CA 1.921 54.016 52.037 0.097 0.000 0.624 506 A CB -1.439 17.601 19.000 0.066 0.000 0.822 506 A HN 0.489 nan 8.150 nan 0.000 0.444 507 G N -1.278 107.519 108.800 -0.006 0.000 2.514 507 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 507 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 507 G C 1.462 176.315 174.900 -0.079 0.000 1.198 507 G CA 1.235 46.268 45.100 -0.111 0.000 0.780 507 G HN 0.453 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 4.430 4.527 -0.000 0.000 0.300 508 F C 2.134 177.939 175.800 0.009 0.000 1.092 508 F CA 1.811 59.772 58.000 -0.066 0.000 1.245 508 F CB 0.120 39.201 39.000 0.135 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.268 120.520 120.200 0.087 0.000 2.411 509 E HA 0.342 4.692 4.350 -0.000 0.000 0.228 509 E C 0.042 176.619 176.600 -0.037 0.000 1.169 509 E CA -0.286 56.116 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 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.071 0.000 0.836 510 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486