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 2w6g_1_A DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.302 176.300 0.004 0.000 2.045 24 D CA 0.000 54.002 54.000 0.004 0.000 0.868 24 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 25 L N 2.470 123.694 121.223 0.002 0.000 2.611 25 L HA 0.253 4.593 4.340 -0.001 0.000 0.229 25 L C 1.749 178.597 176.870 -0.036 0.000 1.137 25 L CA 0.168 55.002 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 0.440 nan 8.230 nan 0.000 0.456 26 E N 0.046 120.230 120.200 -0.028 0.000 2.166 26 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 26 E C 1.254 177.833 176.600 -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 0.334 nan 8.360 nan 0.000 0.470 27 E N 0.117 120.298 120.200 -0.032 0.000 2.526 27 E HA 0.045 4.394 4.350 -0.001 0.000 0.208 27 E C 0.314 176.888 176.600 -0.043 0.000 0.997 27 E CA 0.258 56.636 56.400 -0.036 0.000 0.961 27 E CB 1.498 31.180 29.700 -0.030 0.000 1.030 27 E HN 0.148 nan 8.360 nan 0.000 0.483 28 T N -2.254 112.278 114.554 -0.037 0.000 2.864 28 T HA 0.719 5.069 4.350 -0.001 0.000 0.299 28 T C -0.021 174.661 174.700 -0.029 0.000 1.166 28 T CA -0.553 61.523 62.100 -0.040 0.000 1.007 28 T CB 2.487 71.338 68.868 -0.029 0.000 1.219 28 T HN -0.020 nan 8.240 nan 0.000 0.506 29 G N 0.466 109.249 108.800 -0.029 0.000 2.733 29 G HA2 0.722 4.681 3.960 -0.001 0.000 0.288 29 G HA3 0.722 4.681 3.960 -0.001 0.000 0.288 29 G C -1.562 173.362 174.900 0.040 0.000 1.373 29 G CA -1.135 43.970 45.100 0.008 0.000 0.895 29 G HN 0.834 nan 8.290 nan 0.000 0.479 30 R N -0.542 120.015 120.500 0.095 0.000 2.599 30 R HA 0.517 4.856 4.340 -0.001 0.000 0.295 30 R C -0.722 175.646 176.300 0.114 0.000 0.963 30 R CA -0.722 55.433 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 5.077 125.063 119.914 0.120 0.000 2.521 31 V HA -0.001 4.118 4.120 -0.001 0.000 0.286 31 V C 1.360 177.506 176.094 0.087 0.000 1.034 31 V CA 0.295 62.676 62.300 0.135 0.000 1.045 31 V CB 0.669 32.587 31.823 0.159 0.000 0.974 31 V HN 0.736 nan 8.190 nan 0.000 0.480 32 L N 3.608 124.882 121.223 0.085 0.000 2.298 32 L HA 0.177 4.517 4.340 -0.001 0.000 0.209 32 L C 0.869 177.762 176.870 0.038 0.000 1.084 32 L CA 0.819 55.689 54.840 0.050 0.000 0.816 32 L CB 0.144 42.237 42.059 0.057 0.000 0.967 32 L HN 0.872 nan 8.230 nan 0.000 0.460 33 S N -0.911 114.817 115.700 0.047 0.000 2.543 33 S HA 0.592 5.061 4.470 -0.001 0.000 0.274 33 S C -1.220 173.398 174.600 0.031 0.000 1.149 33 S CA -0.820 57.398 58.200 0.030 0.000 0.866 33 S CB 2.318 65.532 63.200 0.024 0.000 1.111 33 S HN -0.008 nan 8.310 nan 0.000 0.457 34 I N 0.908 121.484 120.570 0.010 0.000 2.569 34 I HA 0.904 5.073 4.170 -0.001 0.000 0.290 34 I C -0.299 175.806 176.117 -0.019 0.000 1.088 34 I CA 0.298 61.593 61.300 -0.009 0.000 1.047 34 I CB 1.517 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 4.354 113.142 108.800 -0.021 0.000 2.616 35 G HA2 0.391 4.351 3.960 -0.001 0.000 0.294 35 G HA3 0.391 4.351 3.960 -0.001 0.000 0.294 35 G C -1.187 173.700 174.900 -0.022 0.000 1.489 35 G CA -0.544 44.543 45.100 -0.022 0.000 0.836 35 G HN 0.623 nan 8.290 nan 0.000 0.527 36 D N -0.378 120.007 120.400 -0.024 0.000 2.737 36 D HA -0.199 4.441 4.640 -0.001 0.000 0.233 36 D C 1.680 177.964 176.300 -0.026 0.000 1.155 36 D CA 2.761 56.747 54.000 -0.025 0.000 0.667 36 D CB -1.113 39.672 40.800 -0.024 0.000 1.060 36 D HN 2.204 nan 8.370 nan 0.000 0.427 37 G N -1.061 107.721 108.800 -0.030 0.000 2.168 37 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.263 37 G HA3 -0.316 3.643 3.960 -0.001 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 1.059 121.626 120.570 -0.005 0.000 2.354 38 I HA 0.676 4.845 4.170 -0.001 0.000 0.292 38 I C 0.603 176.741 176.117 0.035 0.000 0.989 38 I CA -0.917 60.397 61.300 0.023 0.000 1.188 38 I CB 1.205 39.211 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 5.060 4.320 -0.001 0.000 0.327 39 A C -0.102 177.567 177.584 0.141 0.000 1.178 39 A CA -0.708 51.408 52.037 0.133 0.000 0.817 39 A CB 1.033 20.200 19.000 0.278 0.000 1.189 39 A HN 0.597 nan 8.150 nan 0.000 0.489 40 R N 2.252 122.822 120.500 0.117 0.000 2.312 40 R HA 0.393 4.732 4.340 -0.001 0.000 0.310 40 R C -1.148 175.220 176.300 0.114 0.000 1.064 40 R CA -0.283 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 0.517 nan 8.270 nan 0.000 0.536 41 V N 2.841 122.822 119.914 0.112 0.000 2.509 41 V HA 0.172 4.291 4.120 -0.001 0.000 0.284 41 V C 0.240 176.394 176.094 0.100 0.000 1.047 41 V CA -0.771 61.592 62.300 0.105 0.000 0.952 41 V CB 1.306 33.163 31.823 0.055 0.000 0.988 41 V HN 0.601 nan 8.190 nan 0.000 0.469 42 H N 2.544 121.627 119.070 0.021 0.000 2.517 42 H HA 0.662 5.217 4.556 -0.001 0.000 0.317 42 H C 0.380 175.709 175.328 0.002 0.000 1.080 42 H CA 1.081 57.136 56.048 0.012 0.000 1.301 42 H CB 0.899 30.669 29.762 0.014 0.000 1.425 42 H HN 1.069 nan 8.280 nan 0.000 0.471 43 G N 3.033 111.607 108.800 -0.377 0.000 2.443 43 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.209 43 G C -0.161 174.663 174.900 -0.127 0.000 1.176 43 G CA -0.467 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 -0.481 120.694 121.223 -0.080 0.000 3.843 44 L HA -0.205 4.134 4.340 -0.001 0.000 0.411 44 L C 2.277 179.107 176.870 -0.068 0.000 1.205 44 L CA 0.772 55.570 54.840 -0.070 0.000 0.945 44 L CB -0.769 41.247 42.059 -0.070 0.000 1.929 44 L HN 0.643 nan 8.230 nan 0.000 0.934 45 R N 0.530 120.986 120.500 -0.072 0.000 2.170 45 R HA -0.094 4.245 4.340 -0.001 0.000 0.242 45 R C 1.422 177.695 176.300 -0.045 0.000 1.145 45 R CA 1.460 57.522 56.100 -0.063 0.000 0.984 45 R CB -0.281 29.982 30.300 -0.061 0.000 0.869 45 R HN 0.578 nan 8.270 nan 0.000 0.455 46 N N 0.254 118.929 118.700 -0.041 0.000 2.280 46 N HA -0.013 4.726 4.740 -0.001 0.000 0.192 46 N C 0.102 175.593 175.510 -0.032 0.000 1.109 46 N CA 0.129 53.159 53.050 -0.033 0.000 0.855 46 N CB 0.349 38.818 38.487 -0.030 0.000 0.974 46 N HN 0.006 nan 8.380 nan 0.000 0.482 47 V N 0.198 120.090 119.914 -0.037 0.000 2.872 47 V HA 0.041 4.160 4.120 -0.001 0.000 0.307 47 V C 0.410 176.491 176.094 -0.022 0.000 1.072 47 V CA -0.524 61.756 62.300 -0.034 0.000 1.148 47 V CB 0.182 31.982 31.823 -0.039 0.000 0.954 47 V HN 0.100 nan 8.190 nan 0.000 0.490 48 Q N 2.863 122.653 119.800 -0.018 0.000 2.193 48 Q HA 0.727 5.066 4.340 -0.001 0.000 0.246 48 Q C 0.158 176.158 176.000 0.000 0.000 0.959 48 Q CA -0.519 55.279 55.803 -0.008 0.000 0.904 48 Q CB 1.205 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 1.249 124.075 122.820 0.010 0.000 2.540 49 A HA 0.075 4.394 4.320 -0.001 0.000 0.239 49 A C 0.116 177.717 177.584 0.028 0.000 1.061 49 A CA 0.207 52.257 52.037 0.023 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 -0.872 119.354 120.200 0.043 0.000 3.286 50 E HA -0.197 4.152 4.350 -0.001 0.000 0.292 50 E C 0.177 176.798 176.600 0.036 0.000 0.928 50 E CA 1.494 57.929 56.400 0.059 0.000 0.982 50 E CB -1.330 28.401 29.700 0.052 0.000 1.500 50 E HN 0.874 nan 8.360 nan 0.000 0.441 51 E N 0.158 120.364 120.200 0.011 0.000 2.366 51 E HA 0.142 4.492 4.350 -0.001 0.000 0.266 51 E C -0.013 176.563 176.600 -0.040 0.000 1.051 51 E CA -0.421 55.969 56.400 -0.017 0.000 0.884 51 E CB 0.559 30.242 29.700 -0.029 0.000 1.006 51 E HN 0.026 nan 8.360 nan 0.000 0.417 52 M N 4.256 123.814 119.600 -0.071 0.000 2.162 52 M HA 0.145 4.624 4.480 -0.001 0.000 0.356 52 M C -0.079 176.137 176.300 -0.140 0.000 1.303 52 M CA -0.217 55.002 55.300 -0.134 0.000 1.116 52 M CB 0.608 33.116 32.600 -0.153 0.000 1.632 52 M HN 0.427 nan 8.290 nan 0.000 0.469 53 V N 1.253 121.061 119.914 -0.177 0.000 3.155 53 V HA 0.726 4.845 4.120 -0.001 0.000 0.313 53 V C -0.847 175.095 176.094 -0.254 0.000 1.162 53 V CA -0.850 61.323 62.300 -0.211 0.000 1.048 53 V CB 2.367 34.044 31.823 -0.243 0.000 1.092 53 V HN 0.888 nan 8.190 nan 0.000 0.447 54 E N 0.316 120.348 120.200 -0.280 0.000 2.256 54 E HA 0.524 4.873 4.350 -0.001 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 1.896 31.540 29.700 -0.094 0.000 1.183 54 E HN 0.623 nan 8.360 nan 0.000 0.418 55 F N 1.609 121.555 119.950 -0.008 0.000 2.382 55 F HA 0.117 4.643 4.527 -0.001 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 1.242 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 -0.335 4.134 4.470 -0.001 0.000 0.238 56 S C 2.213 176.872 174.600 0.099 0.000 1.055 56 S CA 2.071 60.332 58.200 0.102 0.000 1.174 56 S CB -1.131 62.122 63.200 0.089 0.000 1.087 56 S HN 0.813 nan 8.310 nan 0.000 0.428 57 S N 1.243 117.009 115.700 0.108 0.000 2.462 57 S HA -0.040 4.429 4.470 -0.001 0.000 0.251 57 S C 1.708 176.355 174.600 0.077 0.000 1.018 57 S CA 1.604 59.850 58.200 0.078 0.000 0.988 57 S CB -1.048 62.189 63.200 0.062 0.000 0.766 57 S HN 1.439 nan 8.310 nan 0.000 0.504 58 G N -0.462 108.399 108.800 0.101 0.000 2.218 58 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 58 G C -0.157 174.806 174.900 0.104 0.000 0.994 58 G CA -0.104 45.044 45.100 0.079 0.000 0.637 58 G HN 0.475 nan 8.290 nan 0.000 0.505 59 L N 1.708 123.022 121.223 0.152 0.000 2.456 59 L HA 0.495 4.835 4.340 -0.001 0.000 0.272 59 L C 0.977 178.007 176.870 0.266 0.000 1.189 59 L CA 0.602 55.551 54.840 0.181 0.000 0.846 59 L CB 0.653 42.791 42.059 0.132 0.000 1.111 59 L HN 0.263 nan 8.230 nan 0.000 0.475 60 K N 0.873 121.370 120.400 0.163 0.000 2.148 60 K HA 0.817 5.137 4.320 -0.001 0.000 0.239 60 K C -0.067 176.617 176.600 0.140 0.000 1.018 60 K CA -0.493 55.804 56.287 0.017 0.000 0.923 60 K CB 1.187 33.531 32.500 -0.261 0.000 1.117 60 K HN 0.746 nan 8.250 nan 0.000 0.477 61 G N 0.206 108.983 108.800 -0.038 0.000 2.673 61 G HA2 0.488 4.447 3.960 -0.001 0.000 0.292 61 G HA3 0.488 4.447 3.960 -0.001 0.000 0.292 61 G C -1.892 172.990 174.900 -0.030 0.000 1.450 61 G CA -0.827 44.398 45.100 0.207 0.000 0.837 61 G HN 0.500 nan 8.290 nan 0.000 0.505 62 M N 1.142 120.858 119.600 0.193 0.000 2.321 62 M HA 0.609 5.089 4.480 -0.001 0.000 0.315 62 M C -0.557 175.829 176.300 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 0.320 nan 8.290 nan 0.000 0.433 63 S N 5.916 121.659 115.700 0.071 0.000 2.423 63 S HA 0.262 4.731 4.470 -0.001 0.000 0.302 63 S C 0.858 175.499 174.600 0.068 0.000 1.143 63 S CA -0.480 57.755 58.200 0.058 0.000 1.080 63 S CB -0.032 63.178 63.200 0.017 0.000 1.081 63 S HN 0.751 nan 8.310 nan 0.000 0.522 64 L N 2.143 123.411 121.223 0.075 0.000 2.463 64 L HA 0.226 4.565 4.340 -0.001 0.000 0.219 64 L C 0.099 176.996 176.870 0.045 0.000 1.088 64 L CA 0.449 55.328 54.840 0.064 0.000 0.849 64 L CB 0.010 42.101 42.059 0.054 0.000 1.012 64 L HN 0.400 nan 8.230 nan 0.000 0.468 65 N N 0.565 119.287 118.700 0.037 0.000 2.483 65 N HA 0.386 5.125 4.740 -0.001 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 1.505 40.004 38.487 0.020 0.000 1.215 65 N HN -0.033 nan 8.380 nan 0.000 0.500 66 L N 1.996 123.230 121.223 0.018 0.000 2.272 66 L HA 0.440 4.779 4.340 -0.001 0.000 0.284 66 L C 0.339 177.212 176.870 0.006 0.000 1.045 66 L CA -0.366 54.478 54.840 0.008 0.000 0.842 66 L CB 0.778 42.840 42.059 0.005 0.000 1.224 66 L HN 0.369 nan 8.230 nan 0.000 0.430 67 E N 3.491 123.693 120.200 0.004 0.000 2.232 67 E HA 0.308 4.657 4.350 -0.001 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 31.433 29.700 0.009 0.000 1.198 67 E HN 0.271 nan 8.360 nan 0.000 0.407 68 P HA -0.208 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 1.508 64.605 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 -1.863 118.538 120.400 0.001 0.000 2.368 69 D HA 0.059 4.699 4.640 -0.001 0.000 0.218 69 D C 0.030 176.337 176.300 0.011 0.000 1.112 69 D CA -0.167 53.838 54.000 0.009 0.000 0.834 69 D CB -0.674 40.149 40.800 0.039 0.000 0.953 69 D HN 0.366 nan 8.370 nan 0.000 0.505 70 N N -1.833 116.865 118.700 -0.003 0.000 3.533 70 N HA 0.226 4.965 4.740 -0.001 0.000 0.229 70 N C -2.046 173.467 175.510 0.005 0.000 1.418 70 N CA -0.950 52.105 53.050 0.008 0.000 0.880 70 N CB 1.145 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 2.357 71 V HA 0.767 4.887 4.120 -0.001 0.000 0.284 71 V C 0.659 176.779 176.094 0.045 0.000 1.018 71 V CA -0.511 61.800 62.300 0.018 0.000 0.841 71 V CB 1.031 32.854 31.823 0.001 0.000 0.991 71 V HN 0.891 nan 8.190 nan 0.000 0.437 72 G N 4.071 112.897 108.800 0.044 0.000 2.391 72 G HA2 0.483 4.442 3.960 -0.001 0.000 0.305 72 G HA3 0.483 4.442 3.960 -0.001 0.000 0.305 72 G C -0.508 174.441 174.900 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 3.358 123.350 119.914 0.128 0.000 2.472 73 V HA 0.200 4.319 4.120 -0.001 0.000 0.290 73 V C 0.279 176.499 176.094 0.210 0.000 1.037 73 V CA -0.675 61.735 62.300 0.183 0.000 0.908 73 V CB 1.948 33.923 31.823 0.255 0.000 0.985 73 V HN 0.427 nan 8.190 nan 0.000 0.454 74 V N 6.265 126.312 119.914 0.220 0.000 2.356 74 V HA 0.151 4.270 4.120 -0.001 0.000 0.258 74 V C 0.216 176.515 176.094 0.343 0.000 1.065 74 V CA -0.190 62.238 62.300 0.214 0.000 0.935 74 V CB 1.352 33.287 31.823 0.187 0.000 1.061 74 V HN 0.643 nan 8.190 nan 0.000 0.484 75 V N 6.706 126.761 119.914 0.235 0.000 2.521 75 V HA 0.124 4.243 4.120 -0.001 0.000 0.286 75 V C 0.428 176.704 176.094 0.302 0.000 1.034 75 V CA 0.012 62.455 62.300 0.238 0.000 1.045 75 V CB 0.383 32.178 31.823 -0.047 0.000 0.974 75 V HN 0.669 nan 8.190 nan 0.000 0.480 76 F N 4.868 124.874 119.950 0.093 0.000 2.733 76 F HA 0.588 5.114 4.527 -0.002 0.000 0.344 76 F C 1.069 176.897 175.800 0.047 0.000 1.179 76 F CA 0.302 58.350 58.000 0.080 0.000 1.316 76 F CB -0.128 38.933 39.000 0.102 0.000 1.577 76 F HN 0.733 nan 8.300 nan 0.000 0.591 77 G N 0.322 109.198 108.800 0.127 0.000 2.351 77 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.279 77 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.279 77 G C -1.476 173.432 174.900 0.013 0.000 1.297 77 G CA -1.210 43.930 45.100 0.068 0.000 0.886 77 G HN 0.062 nan 8.290 nan 0.000 0.493 78 N N 1.555 120.255 118.700 0.001 0.000 2.452 78 N HA 0.167 4.906 4.740 -0.001 0.000 0.266 78 N C 0.672 176.151 175.510 -0.052 0.000 1.175 78 N CA 0.229 53.267 53.050 -0.020 0.000 0.945 78 N CB 0.795 39.275 38.487 -0.011 0.000 1.063 78 N HN 0.505 nan 8.380 nan 0.000 0.472 79 D N 2.794 123.155 120.400 -0.065 0.000 2.400 79 D HA -0.078 4.562 4.640 -0.001 0.000 0.243 79 D C 0.929 177.181 176.300 -0.079 0.000 1.184 79 D CA 0.044 53.982 54.000 -0.103 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 1.055 121.422 120.400 -0.055 0.000 2.262 80 K HA -0.023 4.296 4.320 -0.001 0.000 0.200 80 K C 1.488 178.064 176.600 -0.039 0.000 1.049 80 K CA 0.040 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 1.970 123.164 121.223 -0.049 0.000 2.660 81 L HA 0.289 4.628 4.340 -0.001 0.000 0.238 81 L C 0.224 177.057 176.870 -0.061 0.000 1.161 81 L CA 0.028 54.845 54.840 -0.040 0.000 0.937 81 L CB -0.209 41.835 42.059 -0.025 0.000 1.122 81 L HN 0.115 nan 8.230 nan 0.000 0.435 82 I N -0.233 120.281 120.570 -0.094 0.000 2.533 82 I HA 0.348 4.517 4.170 -0.001 0.000 0.290 82 I C -0.346 175.740 176.117 -0.052 0.000 1.056 82 I CA -0.519 60.716 61.300 -0.109 0.000 1.057 82 I CB 2.181 40.000 38.000 -0.302 0.000 1.240 82 I HN -0.006 nan 8.210 nan 0.000 0.423 83 K N 3.620 124.017 120.400 -0.005 0.000 2.395 83 K HA 0.387 4.706 4.320 -0.001 0.000 0.245 83 K C -0.739 175.877 176.600 0.027 0.000 1.017 83 K CA -0.982 55.308 56.287 0.005 0.000 0.852 83 K CB 2.309 34.814 32.500 0.008 0.000 1.311 83 K HN 0.544 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 4.303 4.350 -0.001 0.000 0.262 84 E C 0.569 177.189 176.600 0.034 0.000 1.004 84 E CA 1.453 57.870 56.400 0.028 0.000 0.928 84 E CB 0.199 29.907 29.700 0.015 0.000 0.937 84 E HN 0.748 nan 8.360 nan 0.000 0.446 85 G N 4.014 112.840 108.800 0.044 0.000 2.284 85 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.247 85 G C -0.022 174.915 174.900 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 0.689 121.138 120.400 0.081 0.000 2.548 86 D HA 0.300 4.939 4.640 -0.001 0.000 0.231 86 D C 0.807 177.174 176.300 0.112 0.000 1.142 86 D CA 0.339 54.403 54.000 0.107 0.000 0.866 86 D CB 0.426 41.317 40.800 0.153 0.000 1.190 86 D HN 0.311 nan 8.370 nan 0.000 0.469 87 I N 1.924 122.543 120.570 0.083 0.000 2.395 87 I HA 0.096 4.265 4.170 -0.001 0.000 0.289 87 I C -0.081 176.044 176.117 0.013 0.000 1.023 87 I CA -0.291 61.036 61.300 0.046 0.000 1.350 87 I CB 1.209 39.224 38.000 0.025 0.000 1.409 87 I HN 0.007 nan 8.210 nan 0.000 0.507 88 V N 6.749 126.634 119.914 -0.049 0.000 2.513 88 V HA 0.516 4.636 4.120 -0.001 0.000 0.299 88 V C -0.114 175.887 176.094 -0.156 0.000 1.035 88 V CA -0.946 61.233 62.300 -0.202 0.000 0.889 88 V CB 1.469 33.081 31.823 -0.351 0.000 0.988 88 V HN 0.626 nan 8.190 nan 0.000 0.440 89 K N 3.401 123.700 120.400 -0.169 0.000 2.328 89 K HA 0.692 5.011 4.320 -0.001 0.000 0.246 89 K C -0.631 175.890 176.600 -0.132 0.000 0.955 89 K CA -0.953 55.265 56.287 -0.115 0.000 0.817 89 K CB 2.356 34.809 32.500 -0.077 0.000 1.208 89 K HN 0.516 nan 8.250 nan 0.000 0.432 90 R N 0.150 120.591 120.500 -0.098 0.000 2.615 90 R HA 0.111 4.450 4.340 -0.001 0.000 0.270 90 R C 1.007 177.259 176.300 -0.080 0.000 1.081 90 R CA -0.030 56.014 56.100 -0.092 0.000 1.154 90 R CB 0.590 30.849 30.300 -0.068 0.000 1.063 90 R HN 0.893 nan 8.270 nan 0.000 0.519 91 T N -2.692 111.816 114.554 -0.078 0.000 3.000 91 T HA 0.164 4.514 4.350 -0.001 0.000 0.248 91 T C 1.444 176.115 174.700 -0.049 0.000 1.034 91 T CA 0.502 62.564 62.100 -0.065 0.000 1.060 91 T CB 0.412 69.237 68.868 -0.072 0.000 0.983 91 T HN 0.805 nan 8.240 nan 0.000 0.482 92 G N 1.819 110.590 108.800 -0.049 0.000 2.304 92 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.252 92 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.252 92 G C 0.408 175.288 174.900 -0.033 0.000 1.014 92 G CA 0.069 45.147 45.100 -0.037 0.000 0.619 92 G HN 1.335 nan 8.290 nan 0.000 0.525 93 A N 0.821 123.619 122.820 -0.037 0.000 2.327 93 A HA 0.726 5.045 4.320 -0.001 0.000 0.283 93 A C 0.551 178.115 177.584 -0.034 0.000 1.127 93 A CA 0.114 52.131 52.037 -0.033 0.000 0.810 93 A CB 0.546 19.525 19.000 -0.035 0.000 1.066 93 A HN 1.467 nan 8.150 nan 0.000 0.492 94 I N 2.095 122.651 120.570 -0.024 0.000 2.783 94 I HA 0.475 4.644 4.170 -0.001 0.000 0.312 94 I C -0.293 175.813 176.117 -0.018 0.000 0.988 94 I CA -0.665 60.623 61.300 -0.020 0.000 1.182 94 I CB 1.614 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 5.709 125.618 119.914 -0.009 0.000 2.475 95 V HA 0.030 4.149 4.120 -0.001 0.000 0.292 95 V C 0.008 176.106 176.094 0.005 0.000 1.003 95 V CA 0.192 62.494 62.300 0.003 0.000 1.120 95 V CB -0.705 31.141 31.823 0.037 0.000 0.937 95 V HN 0.816 nan 8.190 nan 0.000 0.476 96 D N 4.632 125.035 120.400 0.006 0.000 2.523 96 D HA 0.722 5.361 4.640 -0.001 0.000 0.236 96 D C -0.569 175.739 176.300 0.013 0.000 1.094 96 D CA -0.570 53.435 54.000 0.008 0.000 0.942 96 D CB 2.429 43.229 40.800 0.000 0.000 1.447 96 D HN 0.454 nan 8.370 nan 0.000 0.479 97 V N -4.699 115.223 119.914 0.012 0.000 3.130 97 V HA 0.702 4.821 4.120 -0.001 0.000 0.310 97 V C -2.913 173.176 176.094 -0.009 0.000 1.158 97 V CA -2.291 60.015 62.300 0.010 0.000 1.029 97 V CB 1.618 33.456 31.823 0.024 0.000 1.057 97 V HN 0.496 nan 8.190 nan 0.000 0.436 98 P HA 0.351 nan 4.420 nan 0.000 0.270 98 P C -0.611 176.641 177.300 -0.080 0.000 1.227 98 P CA 0.199 63.270 63.100 -0.048 0.000 0.788 98 P CB 0.959 32.633 31.700 -0.045 0.000 0.926 99 V N -0.636 119.186 119.914 -0.153 0.000 3.264 99 V HA 0.698 4.817 4.120 -0.001 0.000 0.294 99 V C -0.118 175.628 176.094 -0.581 0.000 1.429 99 V CA 0.473 62.609 62.300 -0.274 0.000 1.053 99 V CB 1.679 33.400 31.823 -0.170 0.000 1.128 99 V HN 1.077 nan 8.190 nan 0.000 0.452 100 G N 2.196 110.314 108.800 -1.137 0.000 2.592 100 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.684 100 G C 0.188 174.556 174.900 -0.886 0.000 1.291 100 G CA 0.151 44.096 45.100 -1.925 0.000 0.891 100 G HN 0.870 nan 8.290 nan 0.000 0.544 101 E N 0.588 120.427 120.200 -0.602 0.000 2.273 101 E HA -0.192 4.157 4.350 -0.001 0.000 0.198 101 E C 2.113 178.668 176.600 -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 1.074 121.201 120.200 -0.122 0.000 2.274 102 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 102 E C 2.154 178.733 176.600 -0.034 0.000 0.996 102 E CA 0.406 56.772 56.400 -0.058 0.000 0.840 102 E CB -0.319 29.344 29.700 -0.063 0.000 0.772 102 E HN 0.349 nan 8.360 nan 0.000 0.491 103 L N 0.945 122.140 121.223 -0.047 0.000 2.362 103 L HA 0.036 4.375 4.340 -0.001 0.000 0.219 103 L C 1.346 178.240 176.870 0.040 0.000 1.134 103 L CA 0.260 55.097 54.840 -0.005 0.000 0.807 103 L CB -0.632 41.422 42.059 -0.008 0.000 0.927 103 L HN 0.069 nan 8.230 nan 0.000 0.447 104 L N 0.556 121.823 121.223 0.072 0.000 2.573 104 L HA -0.025 4.314 4.340 -0.001 0.000 0.290 104 L C 1.447 178.350 176.870 0.055 0.000 1.247 104 L CA 0.780 55.679 54.840 0.099 0.000 0.876 104 L CB -0.322 41.825 42.059 0.146 0.000 1.123 104 L HN 0.392 nan 8.230 nan 0.000 0.505 105 G N 1.534 110.354 108.800 0.034 0.000 2.203 105 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.263 105 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.263 105 G C 0.200 175.102 174.900 0.003 0.000 1.012 105 G CA -0.057 45.043 45.100 0.001 0.000 0.749 105 G HN 0.478 nan 8.290 nan 0.000 0.512 106 R N -1.217 119.291 120.500 0.013 0.000 2.854 106 R HA 0.723 5.063 4.340 -0.001 0.000 0.271 106 R C -0.369 175.940 176.300 0.016 0.000 0.996 106 R CA -1.001 55.106 56.100 0.012 0.000 0.961 106 R CB 1.861 32.169 30.300 0.014 0.000 1.182 106 R HN 0.242 nan 8.270 nan 0.000 0.479 107 V N 2.430 122.353 119.914 0.015 0.000 2.326 107 V HA 0.353 4.472 4.120 -0.001 0.000 0.281 107 V C -0.036 176.073 176.094 0.026 0.000 1.015 107 V CA -0.820 61.493 62.300 0.022 0.000 0.823 107 V CB 1.350 33.183 31.823 0.016 0.000 1.009 107 V HN 0.542 nan 8.190 nan 0.000 0.436 108 V N 1.161 121.095 119.914 0.033 0.000 2.815 108 V HA 0.788 4.908 4.120 -0.001 0.000 0.314 108 V C -0.045 176.073 176.094 0.040 0.000 1.064 108 V CA -0.825 61.495 62.300 0.033 0.000 0.952 108 V CB 1.969 33.811 31.823 0.031 0.000 1.020 108 V HN 0.752 nan 8.190 nan 0.000 0.439 109 D N 3.070 123.495 120.400 0.041 0.000 2.398 109 D HA 0.375 5.014 4.640 -0.001 0.000 0.264 109 D C 1.251 177.581 176.300 0.050 0.000 1.263 109 D CA 0.121 54.149 54.000 0.046 0.000 1.037 109 D CB 0.819 41.649 40.800 0.050 0.000 1.101 109 D HN 0.772 nan 8.370 nan 0.000 0.551 110 A N -0.866 121.986 122.820 0.053 0.000 2.067 110 A HA -0.009 4.311 4.320 -0.001 0.000 0.219 110 A C 2.146 179.775 177.584 0.075 0.000 1.158 110 A CA 0.729 52.798 52.037 0.054 0.000 0.661 110 A CB -0.727 18.298 19.000 0.042 0.000 0.801 110 A HN 0.520 nan 8.150 nan 0.000 0.452 111 L N -1.510 119.766 121.223 0.088 0.000 2.628 111 L HA 0.245 4.584 4.340 -0.001 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 0.092 0.000 0.909 111 L CB -0.054 42.079 42.059 0.122 0.000 1.137 111 L HN 0.545 nan 8.230 nan 0.000 0.470 112 G N -0.267 108.561 108.800 0.047 0.000 2.176 112 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.253 112 G C 0.227 175.143 174.900 0.025 0.000 0.979 112 G CA -0.304 44.813 45.100 0.030 0.000 0.641 112 G HN 0.381 nan 8.290 nan 0.000 0.530 113 N N 1.175 119.895 118.700 0.034 0.000 2.518 113 N HA 0.477 5.216 4.740 -0.001 0.000 0.266 113 N C 0.606 176.131 175.510 0.026 0.000 1.196 113 N CA 0.741 53.808 53.050 0.029 0.000 0.947 113 N CB 1.164 39.674 38.487 0.038 0.000 1.098 113 N HN 0.697 nan 8.380 nan 0.000 0.450 114 A N 2.068 124.899 122.820 0.019 0.000 2.409 114 A HA 0.283 4.602 4.320 -0.001 0.000 0.262 114 A C 1.276 178.871 177.584 0.019 0.000 1.113 114 A CA -0.345 51.702 52.037 0.017 0.000 0.790 114 A CB -0.387 18.619 19.000 0.011 0.000 1.046 114 A HN 0.807 nan 8.150 nan 0.000 0.496 115 I N -0.517 120.065 120.570 0.020 0.000 4.147 115 I HA 0.245 4.414 4.170 -0.001 0.000 0.329 115 I C 0.374 176.500 176.117 0.015 0.000 1.424 115 I CA -0.002 61.310 61.300 0.020 0.000 1.127 115 I CB 0.460 38.475 38.000 0.025 0.000 1.128 115 I HN 0.454 nan 8.210 nan 0.000 0.417 116 D N 1.272 121.678 120.400 0.011 0.000 2.328 116 D HA 0.115 4.755 4.640 -0.001 0.000 0.221 116 D C 1.639 177.942 176.300 0.004 0.000 1.072 116 D CA 0.361 54.364 54.000 0.006 0.000 0.850 116 D CB -0.114 40.687 40.800 0.003 0.000 0.922 116 D HN 0.409 nan 8.370 nan 0.000 0.516 117 G N 1.122 109.926 108.800 0.007 0.000 2.296 117 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.282 117 G HA3 -0.394 3.565 3.960 -0.001 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 0.087 120.489 120.400 0.003 0.000 2.446 118 K HA 0.446 4.766 4.320 -0.001 0.000 0.203 118 K C 1.281 177.883 176.600 0.002 0.000 1.027 118 K CA 0.406 56.694 56.287 0.002 0.000 1.166 118 K CB 0.174 32.675 32.500 0.001 0.000 0.869 118 K HN 1.362 nan 8.250 nan 0.000 0.504 119 G N 2.633 111.435 108.800 0.003 0.000 2.662 119 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.686 119 G C -2.922 171.979 174.900 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 0.364 nan 4.420 nan 0.000 0.269 120 P C 0.711 178.009 177.300 -0.005 0.000 1.209 120 P CA -0.238 62.862 63.100 -0.001 0.000 0.776 120 P CB 0.471 32.170 31.700 -0.002 0.000 0.876 121 I N -0.921 119.644 120.570 -0.007 0.000 2.416 121 I HA 0.272 4.441 4.170 -0.001 0.000 0.288 121 I C 0.889 176.993 176.117 -0.022 0.000 1.051 121 I CA -0.301 60.990 61.300 -0.015 0.000 1.375 121 I CB 0.087 38.076 38.000 -0.018 0.000 1.407 121 I HN 0.407 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 4.129 3.960 -0.001 0.000 0.250 122 G HA3 0.170 4.129 3.960 -0.001 0.000 0.250 122 G C 0.476 175.350 174.900 -0.044 0.000 1.071 122 G CA -0.361 44.722 45.100 -0.028 0.000 1.812 122 G HN 0.848 nan 8.290 nan 0.000 0.643 123 S N -0.433 115.236 115.700 -0.052 0.000 2.481 123 S HA 0.320 4.789 4.470 -0.001 0.000 0.276 123 S C 0.982 175.545 174.600 -0.062 0.000 1.247 123 S CA -0.612 57.543 58.200 -0.075 0.000 1.053 123 S CB 2.319 65.471 63.200 -0.081 0.000 0.925 123 S HN 0.376 nan 8.310 nan 0.000 0.491 124 K N 2.650 123.008 120.400 -0.070 0.000 1.991 124 K HA 0.236 4.555 4.320 -0.001 0.000 0.208 124 K C 1.067 177.641 176.600 -0.043 0.000 1.038 124 K CA 0.987 57.247 56.287 -0.045 0.000 0.943 124 K CB -0.314 32.165 32.500 -0.035 0.000 0.736 124 K HN 0.804 nan 8.250 nan 0.000 0.440 125 A N 1.658 124.445 122.820 -0.055 0.000 2.407 125 A HA 0.267 4.587 4.320 -0.001 0.000 0.248 125 A C -0.501 177.053 177.584 -0.050 0.000 1.082 125 A CA -0.036 51.981 52.037 -0.033 0.000 0.785 125 A CB 0.284 19.285 19.000 0.002 0.000 1.020 125 A HN 0.229 nan 8.150 nan 0.000 0.489 126 R N 1.096 121.582 120.500 -0.023 0.000 2.513 126 R HA 0.458 4.797 4.340 -0.001 0.000 0.301 126 R C -0.476 175.822 176.300 -0.004 0.000 0.968 126 R CA -0.594 55.494 56.100 -0.021 0.000 0.872 126 R CB 2.363 32.654 30.300 -0.016 0.000 1.177 126 R HN 0.869 nan 8.270 nan 0.000 0.444 127 R N 1.529 122.030 120.500 0.001 0.000 2.787 127 R HA 0.397 4.736 4.340 -0.001 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 1.471 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 1.594 122.102 120.500 0.014 0.000 2.390 128 R HA 0.063 4.402 4.340 -0.001 0.000 0.291 128 R C 1.471 177.779 176.300 0.013 0.000 1.070 128 R CA -0.093 56.012 56.100 0.008 0.000 1.014 128 R CB 1.282 31.582 30.300 0.000 0.000 1.007 128 R HN 0.632 nan 8.270 nan 0.000 0.466 129 V N 1.341 121.262 119.914 0.012 0.000 2.295 129 V HA -0.003 4.116 4.120 -0.001 0.000 0.246 129 V C 0.948 177.042 176.094 0.000 0.000 1.049 129 V CA 1.535 63.852 62.300 0.027 0.000 1.024 129 V CB -0.582 31.260 31.823 0.032 0.000 0.648 129 V HN 0.744 nan 8.190 nan 0.000 0.447 130 G N 1.058 109.811 108.800 -0.077 0.000 2.428 130 G HA2 0.639 4.598 3.960 -0.001 0.000 0.320 130 G HA3 0.639 4.598 3.960 -0.001 0.000 0.320 130 G C -0.903 173.957 174.900 -0.066 0.000 1.098 130 G CA -0.424 44.592 45.100 -0.141 0.000 0.984 130 G HN 0.384 nan 8.290 nan 0.000 0.444 131 L N 0.981 122.189 121.223 -0.025 0.000 2.301 131 L HA 0.563 4.902 4.340 -0.001 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 2.435 44.497 42.059 0.005 0.000 1.346 131 L HN 0.335 nan 8.230 nan 0.000 0.429 132 K N 0.772 121.171 120.400 -0.001 0.000 2.237 132 K HA 0.533 4.852 4.320 -0.001 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 33.752 32.500 0.011 0.000 0.976 132 K HN 0.645 nan 8.250 nan 0.000 0.472 133 A N 4.430 127.253 122.820 0.005 0.000 2.448 133 A HA 0.232 4.551 4.320 -0.001 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 18.470 19.000 0.001 0.000 1.026 133 A HN 0.620 nan 8.150 nan 0.000 0.499 134 P HA 0.166 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 0.297 31.892 31.700 -0.175 0.000 0.842 135 G N 1.940 110.681 108.800 -0.098 0.000 2.527 135 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.279 135 G C 0.984 175.850 174.900 -0.057 0.000 1.374 135 G CA -0.536 44.529 45.100 -0.057 0.000 1.053 135 G HN 0.586 nan 8.290 nan 0.000 0.539 136 I N -0.904 119.650 120.570 -0.028 0.000 2.500 136 I HA -0.054 4.115 4.170 -0.001 0.000 0.252 136 I C 2.042 178.152 176.117 -0.012 0.000 1.142 136 I CA 0.542 61.834 61.300 -0.014 0.000 1.451 136 I CB 0.022 38.023 38.000 0.001 0.000 1.093 136 I HN 0.214 nan 8.210 nan 0.000 0.430 137 I N 2.071 122.636 120.570 -0.008 0.000 2.333 137 I HA -0.049 4.120 4.170 -0.001 0.000 0.246 137 I C -0.418 175.713 176.117 0.024 0.000 1.106 137 I CA 1.085 62.398 61.300 0.022 0.000 1.411 137 I CB -2.905 35.126 38.000 0.052 0.000 1.082 137 I HN 0.202 nan 8.210 nan 0.000 0.420 138 P HA -0.033 nan 4.420 nan 0.000 0.244 138 P C 0.335 177.560 177.300 -0.125 0.000 1.211 138 P CA 0.831 63.789 63.100 -0.236 0.000 0.760 138 P CB 0.032 31.198 31.700 -0.890 0.000 0.961 139 R N -0.308 120.166 120.500 -0.044 0.000 2.981 139 R HA 0.818 5.157 4.340 -0.001 0.000 0.228 139 R C -0.308 176.006 176.300 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 -2.058 118.525 120.570 0.023 0.000 2.882 140 I HA 0.211 4.380 4.170 -0.001 0.000 0.298 140 I C -0.988 175.141 176.117 0.021 0.000 1.462 140 I CA -0.331 60.986 61.300 0.028 0.000 1.000 140 I CB 2.512 40.535 38.000 0.039 0.000 1.340 140 I HN 0.474 nan 8.210 nan 0.000 0.462 141 S N 2.709 118.420 115.700 0.017 0.000 2.599 141 S HA 0.124 4.593 4.470 -0.001 0.000 0.303 141 S C -0.089 174.517 174.600 0.011 0.000 1.267 141 S CA -0.266 57.941 58.200 0.012 0.000 1.055 141 S CB 0.202 63.408 63.200 0.010 0.000 0.790 141 S HN 0.487 nan 8.310 nan 0.000 0.500 142 V N 5.286 125.204 119.914 0.007 0.000 2.485 142 V HA 0.084 4.203 4.120 -0.001 0.000 0.287 142 V C 1.149 177.239 176.094 -0.006 0.000 1.022 142 V CA 0.901 63.202 62.300 0.002 0.000 1.067 142 V CB 0.561 32.383 31.823 -0.003 0.000 0.967 142 V HN 0.832 nan 8.190 nan 0.000 0.479 143 R N 2.136 122.630 120.500 -0.011 0.000 2.576 143 R HA 0.219 4.558 4.340 -0.001 0.000 0.237 143 R C 0.080 176.354 176.300 -0.043 0.000 0.917 143 R CA -0.194 55.893 56.100 -0.020 0.000 1.002 143 R CB 0.735 31.029 30.300 -0.010 0.000 1.428 143 R HN 0.685 nan 8.270 nan 0.000 0.603 144 E N 2.592 122.754 120.200 -0.062 0.000 2.229 144 E HA 0.182 4.531 4.350 -0.001 0.000 0.283 144 E C -2.473 174.049 176.600 -0.130 0.000 1.030 144 E CA -2.288 54.043 56.400 -0.114 0.000 0.836 144 E CB 0.859 30.452 29.700 -0.177 0.000 1.068 144 E HN -0.108 nan 8.360 nan 0.000 0.401 145 P HA -0.064 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 0.205 63.226 63.100 -0.132 0.000 0.772 145 P CB 0.451 32.078 31.700 -0.122 0.000 0.855 146 M N 3.300 122.813 119.600 -0.145 0.000 2.018 146 M HA 0.170 4.649 4.480 -0.001 0.000 0.311 146 M C -0.729 175.505 176.300 -0.110 0.000 0.928 146 M CA -0.293 54.915 55.300 -0.153 0.000 0.911 146 M CB 0.674 33.209 32.600 -0.108 0.000 1.447 146 M HN 0.356 nan 8.290 nan 0.000 0.407 147 Q N 2.108 121.835 119.800 -0.121 0.000 2.243 147 Q HA 0.341 4.681 4.340 -0.001 0.000 0.252 147 Q C 0.955 176.967 176.000 0.020 0.000 0.909 147 Q CA -0.192 55.596 55.803 -0.026 0.000 0.922 147 Q CB 1.421 30.175 28.738 0.028 0.000 1.215 147 Q HN 0.761 nan 8.270 nan 0.000 0.427 148 T N -1.977 112.588 114.554 0.018 0.000 3.010 148 T HA 0.200 4.550 4.350 -0.001 0.000 0.252 148 T C 1.243 175.964 174.700 0.035 0.000 1.047 148 T CA 0.673 62.786 62.100 0.022 0.000 1.140 148 T CB 0.107 68.977 68.868 0.003 0.000 0.885 148 T HN 0.913 nan 8.240 nan 0.000 0.464 149 G N 1.349 110.170 108.800 0.035 0.000 2.179 149 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.220 149 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.220 149 G C -0.045 174.863 174.900 0.013 0.000 0.990 149 G CA -0.149 44.968 45.100 0.028 0.000 0.646 149 G HN 0.631 nan 8.290 nan 0.000 0.517 150 I N 2.479 123.054 120.570 0.009 0.000 2.304 150 I HA 0.241 4.410 4.170 -0.001 0.000 0.291 150 I C 1.784 177.906 176.117 0.008 0.000 1.018 150 I CA -0.716 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 5.715 126.121 120.400 0.011 0.000 2.009 151 K HA -0.211 4.108 4.320 -0.001 0.000 0.210 151 K C 1.896 178.504 176.600 0.013 0.000 1.049 151 K CA 1.610 57.906 56.287 0.015 0.000 0.929 151 K CB -0.584 31.927 32.500 0.019 0.000 0.714 151 K HN 0.652 nan 8.250 nan 0.000 0.440 152 A N 1.962 124.790 122.820 0.012 0.000 1.903 152 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 152 A C 2.588 180.180 177.584 0.014 0.000 1.191 152 A CA 2.247 54.293 52.037 0.015 0.000 0.638 152 A CB -0.972 18.039 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 -0.225 3.894 4.120 -0.001 0.000 0.244 153 V C 2.200 178.296 176.094 0.004 0.000 1.042 153 V CA 2.243 64.545 62.300 0.004 0.000 1.006 153 V CB -0.951 30.870 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 4.514 4.640 -0.001 0.000 0.203 154 D C 2.319 178.623 176.300 0.007 0.000 0.988 154 D CA 1.852 55.855 54.000 0.004 0.000 0.864 154 D CB -0.112 40.694 40.800 0.010 0.000 0.928 154 D HN 0.636 nan 8.370 nan 0.000 0.469 155 S N -1.259 114.447 115.700 0.011 0.000 2.492 155 S HA 0.137 4.606 4.470 -0.001 0.000 0.218 155 S C 1.731 176.338 174.600 0.011 0.000 1.016 155 S CA -0.102 58.105 58.200 0.012 0.000 0.916 155 S CB 0.249 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 0.758 121.989 121.223 0.013 0.000 2.920 156 L HA 0.437 4.776 4.340 -0.001 0.000 0.257 156 L C -0.405 176.475 176.870 0.017 0.000 1.150 156 L CA -0.046 54.804 54.840 0.016 0.000 0.959 156 L CB 1.423 43.495 42.059 0.022 0.000 1.321 156 L HN 0.132 nan 8.230 nan 0.000 0.555 157 V N -0.047 119.874 119.914 0.011 0.000 2.719 157 V HA 0.207 4.326 4.120 -0.001 0.000 0.330 157 V C -2.487 173.605 176.094 -0.003 0.000 1.224 157 V CA -1.036 61.269 62.300 0.008 0.000 1.314 157 V CB 0.257 32.086 31.823 0.009 0.000 1.416 157 V HN -0.020 nan 8.190 nan 0.000 0.651 158 P HA 0.102 nan 4.420 nan 0.000 0.261 158 P C -0.550 176.738 177.300 -0.020 0.000 1.173 158 P CA 0.618 63.710 63.100 -0.012 0.000 0.760 158 P CB 0.939 32.633 31.700 -0.011 0.000 0.783 159 I N 2.437 122.990 120.570 -0.029 0.000 2.441 159 I HA 0.514 4.683 4.170 -0.001 0.000 0.295 159 I C 1.060 177.150 176.117 -0.047 0.000 0.994 159 I CA -0.610 60.669 61.300 -0.036 0.000 1.144 159 I CB 1.112 39.088 38.000 -0.040 0.000 1.314 159 I HN 0.341 nan 8.210 nan 0.000 0.445 160 G N 5.275 114.049 108.800 -0.043 0.000 2.489 160 G HA2 0.572 4.531 3.960 -0.001 0.000 0.327 160 G HA3 0.572 4.531 3.960 -0.001 0.000 0.327 160 G C -0.429 174.441 174.900 -0.049 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 -0.127 120.338 120.500 -0.057 0.000 2.347 161 R HA 0.429 4.768 4.340 -0.001 0.000 0.304 161 R C 1.074 177.383 176.300 0.015 0.000 1.072 161 R CA 0.816 56.901 56.100 -0.025 0.000 0.980 161 R CB 0.928 31.206 30.300 -0.037 0.000 0.986 161 R HN 1.132 nan 8.270 nan 0.000 0.448 162 G N 1.705 110.518 108.800 0.022 0.000 2.238 162 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 162 G C 0.238 175.142 174.900 0.006 0.000 0.996 162 G CA -0.056 45.057 45.100 0.022 0.000 0.632 162 G HN 0.591 nan 8.290 nan 0.000 0.503 163 Q N 0.301 120.098 119.800 -0.004 0.000 2.417 163 Q HA 0.602 4.941 4.340 -0.001 0.000 0.241 163 Q C -0.156 175.836 176.000 -0.014 0.000 1.008 163 Q CA -0.165 55.631 55.803 -0.010 0.000 0.901 163 Q CB 0.322 29.049 28.738 -0.018 0.000 1.259 163 Q HN 0.309 nan 8.270 nan 0.000 0.489 164 R N 2.329 122.820 120.500 -0.015 0.000 2.352 164 R HA 0.262 4.601 4.340 -0.001 0.000 0.304 164 R C -1.468 174.811 176.300 -0.034 0.000 1.104 164 R CA -0.473 55.616 56.100 -0.019 0.000 0.991 164 R CB 1.314 31.606 30.300 -0.014 0.000 1.140 164 R HN 0.457 nan 8.270 nan 0.000 0.540 165 E N 2.552 122.725 120.200 -0.045 0.000 2.133 165 E HA 0.315 4.664 4.350 -0.001 0.000 0.274 165 E C -1.259 175.290 176.600 -0.084 0.000 0.930 165 E CA -0.860 55.504 56.400 -0.061 0.000 0.770 165 E CB 0.964 30.631 29.700 -0.055 0.000 1.104 165 E HN 0.388 nan 8.360 nan 0.000 0.403 166 L N 5.294 126.448 121.223 -0.115 0.000 2.350 166 L HA 0.500 4.839 4.340 -0.001 0.000 0.275 166 L C -0.911 175.851 176.870 -0.180 0.000 1.099 166 L CA -0.129 54.624 54.840 -0.144 0.000 0.808 166 L CB 0.687 42.645 42.059 -0.169 0.000 1.149 166 L HN 0.650 nan 8.230 nan 0.000 0.442 167 I N 6.612 127.094 120.570 -0.148 0.000 2.312 167 I HA 0.397 4.566 4.170 -0.001 0.000 0.290 167 I C -0.314 175.707 176.117 -0.159 0.000 1.008 167 I CA -0.109 61.104 61.300 -0.145 0.000 1.226 167 I CB 1.261 39.207 38.000 -0.090 0.000 1.371 167 I HN 0.561 nan 8.210 nan 0.000 0.468 168 I N 5.273 125.716 120.570 -0.213 0.000 2.730 168 I HA 0.928 5.097 4.170 -0.001 0.000 0.298 168 I C -0.228 175.857 176.117 -0.053 0.000 1.089 168 I CA -0.037 61.171 61.300 -0.153 0.000 1.041 168 I CB 2.058 39.910 38.000 -0.246 0.000 1.235 168 I HN 0.680 nan 8.210 nan 0.000 0.423 169 G N 4.744 113.545 108.800 0.002 0.000 2.322 169 G HA2 0.197 4.157 3.960 -0.001 0.000 0.295 169 G HA3 0.197 4.157 3.960 -0.001 0.000 0.295 169 G C -1.908 173.007 174.900 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 4.979 4.640 -0.001 0.000 0.259 170 D C 1.132 177.422 176.300 -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 0.108 120.601 120.500 -0.011 0.000 2.734 171 R HA 0.031 4.370 4.340 -0.001 0.000 0.266 171 R C -0.101 176.157 176.300 -0.069 0.000 1.044 171 R CA -0.326 55.760 56.100 -0.024 0.000 1.128 171 R CB 0.050 30.347 30.300 -0.005 0.000 1.010 171 R HN 0.170 nan 8.270 nan 0.000 0.461 172 Q N 0.249 119.996 119.800 -0.089 0.000 2.423 172 Q HA -0.162 4.177 4.340 -0.001 0.000 0.332 172 Q C -0.086 175.702 176.000 -0.353 0.000 1.355 172 Q CA 1.661 57.361 55.803 -0.171 0.000 0.947 172 Q CB -1.410 27.253 28.738 -0.125 0.000 1.189 172 Q HN 0.990 nan 8.270 nan 0.000 0.418 173 T N -4.988 109.383 114.554 -0.304 0.000 2.985 173 T HA 0.431 4.780 4.350 -0.001 0.000 0.254 173 T C 1.194 175.725 174.700 -0.282 0.000 1.021 173 T CA 0.519 62.385 62.100 -0.390 0.000 0.957 173 T CB 1.186 69.956 68.868 -0.164 0.000 1.047 173 T HN 0.652 nan 8.240 nan 0.000 0.511 174 G N 1.684 110.380 108.800 -0.173 0.000 2.183 174 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.168 174 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.168 174 G C 0.769 175.651 174.900 -0.029 0.000 1.008 174 G CA 0.123 45.194 45.100 -0.048 0.000 0.677 174 G HN 0.417 nan 8.290 nan 0.000 0.498 175 K N 0.095 120.472 120.400 -0.038 0.000 1.987 175 K HA -0.091 4.229 4.320 -0.001 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 0.908 115.471 114.554 0.016 0.000 2.833 176 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 176 T C 2.052 176.769 174.700 0.028 0.000 1.054 176 T CA 1.411 63.550 62.100 0.064 0.000 1.135 176 T CB -0.189 68.739 68.868 0.100 0.000 0.869 176 T HN 0.159 nan 8.240 nan 0.000 0.466 177 S N 1.481 117.172 115.700 -0.015 0.000 2.359 177 S HA -0.085 4.384 4.470 -0.001 0.000 0.224 177 S C 2.037 176.598 174.600 -0.066 0.000 1.035 177 S CA 0.831 58.987 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 0.317 nan 8.310 nan 0.000 0.448 178 I N 2.394 122.942 120.570 -0.036 0.000 2.113 178 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 178 I C 2.767 178.877 176.117 -0.011 0.000 1.064 178 I CA 1.582 62.866 61.300 -0.027 0.000 1.320 178 I CB -1.979 36.008 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 0.013 0.000 1.865 179 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 179 A C 2.304 179.917 177.584 0.047 0.000 1.191 179 A CA 1.678 53.743 52.037 0.046 0.000 0.623 179 A CB -0.742 18.325 19.000 0.112 0.000 0.826 179 A HN 0.309 nan 8.150 nan 0.000 0.444 180 I N 0.446 121.033 120.570 0.028 0.000 2.091 180 I HA -0.251 3.918 4.170 -0.001 0.000 0.239 180 I C 2.040 178.161 176.117 0.006 0.000 1.061 180 I CA 2.059 63.360 61.300 0.001 0.000 1.317 180 I CB -1.776 36.213 38.000 -0.017 0.000 1.031 180 I HN 0.297 nan 8.210 nan 0.000 0.401 181 D N 0.591 120.968 120.400 -0.037 0.000 2.149 181 D HA -0.174 4.466 4.640 -0.001 0.000 0.194 181 D C 2.182 178.494 176.300 0.020 0.000 1.001 181 D CA 1.779 55.764 54.000 -0.026 0.000 0.849 181 D CB -0.348 40.414 40.800 -0.063 0.000 0.939 181 D HN 0.285 nan 8.370 nan 0.000 0.449 182 T N 0.623 115.190 114.554 0.021 0.000 2.684 182 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 182 T C 2.161 176.906 174.700 0.075 0.000 1.036 182 T CA 0.826 62.949 62.100 0.038 0.000 1.148 182 T CB -0.278 68.604 68.868 0.022 0.000 0.863 182 T HN 0.180 nan 8.240 nan 0.000 0.436 183 I N 0.889 121.513 120.570 0.089 0.000 2.142 183 I HA -0.169 4.000 4.170 -0.001 0.000 0.240 183 I C 2.344 178.602 176.117 0.236 0.000 1.078 183 I CA 1.051 62.445 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 1.100 121.757 120.570 0.145 0.000 2.113 184 I HA -0.375 3.794 4.170 -0.001 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 -1.725 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 0.100 0.000 2.184 185 N HA -0.243 4.497 4.740 -0.001 0.000 0.190 185 N C 1.591 177.120 175.510 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 0.108 119.946 119.800 0.065 0.000 2.541 186 Q HA -0.055 4.285 4.340 -0.001 0.000 0.215 186 Q C 1.486 177.278 176.000 -0.345 0.000 0.977 186 Q CA 0.504 56.293 55.803 -0.024 0.000 0.934 186 Q CB -0.125 28.491 28.738 -0.203 0.000 0.988 186 Q HN 0.534 nan 8.270 nan 0.000 0.521 187 K N 1.138 121.390 120.400 -0.247 0.000 2.155 187 K HA -0.080 4.240 4.320 -0.001 0.000 0.203 187 K C 1.732 178.158 176.600 -0.289 0.000 1.052 187 K CA 0.533 56.694 56.287 -0.210 0.000 0.948 187 K CB 0.210 32.753 32.500 0.072 0.000 0.728 187 K HN 0.149 nan 8.250 nan 0.000 0.448 188 R N -0.414 119.807 120.500 -0.465 0.000 2.117 188 R HA -0.155 4.184 4.340 -0.001 0.000 0.243 188 R C 1.870 177.756 176.300 -0.690 0.000 1.143 188 R CA 1.757 57.465 56.100 -0.652 0.000 0.968 188 R CB -0.434 29.278 30.300 -0.981 0.000 0.863 188 R HN 0.206 nan 8.270 nan 0.000 0.444 189 F N 0.289 120.134 119.950 -0.174 0.000 2.530 189 F HA 0.184 4.711 4.527 -0.001 0.000 0.292 189 F C 1.741 177.415 175.800 -0.211 0.000 1.109 189 F CA -0.033 57.860 58.000 -0.178 0.000 1.450 189 F CB -0.276 38.606 39.000 -0.197 0.000 1.114 189 F HN -0.126 nan 8.300 nan 0.000 0.560 190 N N 0.242 118.841 118.700 -0.169 0.000 2.494 190 N HA -0.096 4.644 4.740 -0.001 0.000 0.182 190 N C 0.746 176.202 175.510 -0.089 0.000 1.076 190 N CA 0.886 53.807 53.050 -0.215 0.000 0.908 190 N CB -0.222 37.964 38.487 -0.502 0.000 0.967 190 N HN 0.247 nan 8.380 nan 0.000 0.449 191 D N -0.505 119.844 120.400 -0.084 0.000 2.360 191 D HA 0.108 4.747 4.640 -0.001 0.000 0.210 191 D C 1.087 177.369 176.300 -0.030 0.000 1.047 191 D CA 0.122 54.100 54.000 -0.037 0.000 0.854 191 D CB 0.236 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 -0.161 108.617 108.800 -0.036 0.000 2.616 192 G HA2 0.269 4.228 3.960 -0.001 0.000 0.268 192 G HA3 0.269 4.228 3.960 -0.001 0.000 0.268 192 G C 1.059 175.965 174.900 0.009 0.000 1.213 192 G CA 0.006 45.098 45.100 -0.013 0.000 0.926 192 G HN 0.055 nan 8.290 nan 0.000 0.523 193 T N -1.246 113.316 114.554 0.015 0.000 3.010 193 T HA 0.021 4.370 4.350 -0.001 0.000 0.252 193 T C 0.876 175.594 174.700 0.029 0.000 1.047 193 T CA 0.445 62.559 62.100 0.022 0.000 1.140 193 T CB -0.031 68.846 68.868 0.016 0.000 0.885 193 T HN 0.448 nan 8.240 nan 0.000 0.464 194 D N 2.336 122.753 120.400 0.029 0.000 2.368 194 D HA 0.032 4.671 4.640 -0.001 0.000 0.268 194 D C 0.613 176.933 176.300 0.033 0.000 1.298 194 D CA 0.112 54.129 54.000 0.028 0.000 0.938 194 D CB 0.593 41.408 40.800 0.025 0.000 1.101 194 D HN 0.311 nan 8.370 nan 0.000 0.509 195 E N 2.128 122.356 120.200 0.046 0.000 2.511 195 E HA -0.038 4.311 4.350 -0.001 0.000 0.196 195 E C 0.989 177.637 176.600 0.081 0.000 1.066 195 E CA 0.458 56.899 56.400 0.069 0.000 0.871 195 E CB 0.322 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 -0.001 0.000 0.198 196 K C 1.013 177.570 176.600 -0.070 0.000 1.022 196 K CA 0.198 56.523 56.287 0.062 0.000 1.128 196 K CB 0.522 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 0.244 120.589 120.400 -0.092 0.000 2.380 197 K HA 0.116 4.436 4.320 -0.001 0.000 0.198 197 K C -0.265 176.190 176.600 -0.242 0.000 1.070 197 K CA 0.052 56.200 56.287 -0.231 0.000 1.040 197 K CB 0.773 33.174 32.500 -0.165 0.000 0.903 197 K HN -0.018 nan 8.250 nan 0.000 0.549 198 K N 1.535 121.856 120.400 -0.132 0.000 2.382 198 K HA 0.130 4.449 4.320 -0.001 0.000 0.275 198 K C -0.552 175.848 176.600 -0.335 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 3.959 124.895 121.223 -0.478 0.000 2.415 199 L HA 0.284 4.623 4.340 -0.001 0.000 0.268 199 L C -1.550 174.996 176.870 -0.540 0.000 0.984 199 L CA -0.510 54.094 54.840 -0.393 0.000 0.853 199 L CB 0.636 42.542 42.059 -0.255 0.000 1.215 199 L HN 0.426 nan 8.230 nan 0.000 0.419 200 Y N 3.112 123.278 120.300 -0.223 0.000 2.411 200 Y HA 0.343 4.892 4.550 -0.001 0.000 0.333 200 Y C 0.718 176.517 175.900 -0.167 0.000 1.186 200 Y CA 0.119 58.047 58.100 -0.288 0.000 1.381 200 Y CB 0.666 38.571 38.460 -0.925 0.000 1.273 200 Y HN 0.507 nan 8.280 nan 0.000 0.546 201 C N 4.339 123.707 119.300 0.113 0.000 2.391 201 C HA 0.699 5.158 4.460 -0.001 0.000 0.339 201 C C -0.135 174.892 174.990 0.062 0.000 1.205 201 C CA -0.960 58.108 59.018 0.084 0.000 1.937 201 C CB 0.127 27.962 27.740 0.158 0.000 2.341 201 C HN 0.595 nan 8.230 nan 0.000 0.516 202 I N 2.355 122.943 120.570 0.030 0.000 2.447 202 I HA 0.308 4.477 4.170 -0.001 0.000 0.287 202 I C -0.878 175.251 176.117 0.020 0.000 1.023 202 I CA -0.259 61.058 61.300 0.029 0.000 1.083 202 I CB 1.038 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 6.929 127.193 120.300 -0.061 0.000 2.328 203 Y HA 0.702 5.252 4.550 -0.001 0.000 0.333 203 Y C -0.996 174.873 175.900 -0.051 0.000 0.958 203 Y CA -0.852 57.205 58.100 -0.071 0.000 1.167 203 Y CB 1.246 39.678 38.460 -0.047 0.000 1.151 203 Y HN 0.278 nan 8.280 nan 0.000 0.470 204 V N 5.890 125.539 119.914 -0.440 0.000 2.394 204 V HA 0.728 4.848 4.120 -0.001 0.000 0.282 204 V C -0.105 175.763 176.094 -0.377 0.000 1.031 204 V CA -0.635 61.517 62.300 -0.247 0.000 0.881 204 V CB 0.976 32.740 31.823 -0.098 0.000 0.982 204 V HN 0.908 nan 8.190 nan 0.000 0.451 205 A N 6.946 129.706 122.820 -0.100 0.000 2.267 205 A HA 0.861 5.180 4.320 -0.001 0.000 0.315 205 A C -0.606 176.980 177.584 0.004 0.000 1.297 205 A CA -0.414 51.619 52.037 -0.006 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 2.064 122.624 120.570 -0.016 0.000 2.389 206 I HA 0.569 4.738 4.170 -0.001 0.000 0.288 206 I C 1.167 177.294 176.117 0.015 0.000 0.999 206 I CA -0.100 61.200 61.300 -0.001 0.000 1.129 206 I CB 1.760 39.749 38.000 -0.018 0.000 1.288 206 I HN 0.942 nan 8.210 nan 0.000 0.444 207 G N 3.752 112.567 108.800 0.026 0.000 2.184 207 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.264 207 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.264 207 G C 0.281 175.201 174.900 0.033 0.000 0.975 207 G CA -0.130 44.988 45.100 0.030 0.000 0.642 207 G HN 0.639 nan 8.290 nan 0.000 0.536 208 Q N 0.364 120.188 119.800 0.040 0.000 2.443 208 Q HA 0.443 4.782 4.340 -0.001 0.000 0.232 208 Q C 0.859 176.884 176.000 0.041 0.000 1.026 208 Q CA 0.259 56.090 55.803 0.048 0.000 0.924 208 Q CB 0.477 29.259 28.738 0.072 0.000 1.256 208 Q HN 0.651 nan 8.270 nan 0.000 0.519 209 K N 0.504 120.926 120.400 0.038 0.000 2.118 209 K HA 0.237 4.557 4.320 -0.001 0.000 0.264 209 K C 0.349 176.968 176.600 0.031 0.000 1.000 209 K CA -0.554 55.751 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 0.909 121.425 120.500 0.026 0.000 2.127 210 R HA -0.125 4.214 4.340 -0.001 0.000 0.238 210 R C 1.933 178.245 176.300 0.019 0.000 1.134 210 R CA 1.821 57.936 56.100 0.025 0.000 0.975 210 R CB -0.504 29.808 30.300 0.020 0.000 0.865 210 R HN 0.774 nan 8.270 nan 0.000 0.447 211 S N 0.444 116.154 115.700 0.017 0.000 2.399 211 S HA -0.118 4.352 4.470 -0.001 0.000 0.231 211 S C 1.916 176.522 174.600 0.011 0.000 1.022 211 S CA 1.713 59.920 58.200 0.012 0.000 0.983 211 S CB -0.362 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 2.438 117.004 114.554 0.019 0.000 2.777 212 T HA -0.022 4.327 4.350 -0.001 0.000 0.266 212 T C 1.994 176.700 174.700 0.010 0.000 1.040 212 T CA 1.296 63.409 62.100 0.021 0.000 1.141 212 T CB -0.449 68.442 68.868 0.037 0.000 0.868 212 T HN 0.268 nan 8.240 nan 0.000 0.444 213 V N 1.838 121.764 119.914 0.021 0.000 2.307 213 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 213 V C 2.935 179.017 176.094 -0.021 0.000 1.045 213 V CA 1.544 63.849 62.300 0.008 0.000 1.024 213 V CB -1.335 30.516 31.823 0.046 0.000 0.651 213 V HN 0.504 nan 8.190 nan 0.000 0.449 214 A N -0.556 122.259 122.820 -0.009 0.000 1.892 214 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 214 A C 2.214 179.780 177.584 -0.030 0.000 1.188 214 A CA 1.906 53.933 52.037 -0.017 0.000 0.631 214 A CB -0.528 18.467 19.000 -0.008 0.000 0.822 214 A HN 0.546 nan 8.150 nan 0.000 0.447 215 Q N -0.875 118.911 119.800 -0.024 0.000 2.124 215 Q HA -0.127 4.212 4.340 -0.001 0.000 0.202 215 Q C 2.139 178.109 176.000 -0.049 0.000 0.977 215 Q CA 1.017 56.802 55.803 -0.030 0.000 0.850 215 Q CB -0.514 28.215 28.738 -0.014 0.000 0.901 215 Q HN 0.623 nan 8.270 nan 0.000 0.429 216 L N 1.149 122.333 121.223 -0.066 0.000 1.976 216 L HA -0.135 4.204 4.340 -0.001 0.000 0.209 216 L C 2.500 179.289 176.870 -0.135 0.000 1.071 216 L CA 1.974 56.740 54.840 -0.122 0.000 0.746 216 L CB -1.206 40.734 42.059 -0.198 0.000 0.890 216 L HN 0.187 nan 8.230 nan 0.000 0.432 217 V N -1.598 118.246 119.914 -0.116 0.000 2.469 217 V HA -0.260 3.859 4.120 -0.001 0.000 0.251 217 V C 2.664 178.706 176.094 -0.086 0.000 1.064 217 V CA 2.040 64.279 62.300 -0.102 0.000 1.066 217 V CB -0.994 30.787 31.823 -0.069 0.000 0.667 217 V HN 0.473 nan 8.190 nan 0.000 0.461 218 K N 0.618 120.974 120.400 -0.072 0.000 1.985 218 K HA -0.276 4.044 4.320 -0.001 0.000 0.210 218 K C 2.476 179.027 176.600 -0.083 0.000 1.047 218 K CA 2.140 58.386 56.287 -0.069 0.000 0.932 218 K CB -0.333 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 1.165 121.610 120.500 -0.091 0.000 2.119 219 R HA -0.088 4.251 4.340 -0.001 0.000 0.246 219 R C 2.289 178.541 176.300 -0.079 0.000 1.146 219 R CA 1.472 57.509 56.100 -0.104 0.000 0.962 219 R CB -0.689 29.566 30.300 -0.075 0.000 0.863 219 R HN 0.314 nan 8.270 nan 0.000 0.442 220 L N -0.958 120.213 121.223 -0.087 0.000 2.093 220 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 220 L C 2.133 178.939 176.870 -0.107 0.000 1.085 220 L CA 1.719 56.497 54.840 -0.103 0.000 0.755 220 L CB -0.532 41.441 42.059 -0.143 0.000 0.904 220 L HN 0.262 nan 8.230 nan 0.000 0.435 221 T N -0.994 113.504 114.554 -0.094 0.000 2.708 221 T HA -0.183 4.167 4.350 -0.001 0.000 0.266 221 T C 1.402 176.061 174.700 -0.068 0.000 1.037 221 T CA 1.489 63.541 62.100 -0.080 0.000 1.146 221 T CB -0.286 68.544 68.868 -0.064 0.000 0.865 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 D N 1.443 121.801 120.400 -0.069 0.000 2.228 222 D HA -0.033 4.606 4.640 -0.001 0.000 0.203 222 D C 1.795 178.063 176.300 -0.053 0.000 0.988 222 D CA 1.011 54.973 54.000 -0.064 0.000 0.864 222 D CB -0.222 40.526 40.800 -0.086 0.000 0.928 222 D HN 0.472 nan 8.370 nan 0.000 0.469 223 A N -0.110 122.680 122.820 -0.051 0.000 2.348 223 A HA 0.122 4.441 4.320 -0.001 0.000 0.224 223 A C 0.334 177.905 177.584 -0.021 0.000 1.227 223 A CA 0.230 52.253 52.037 -0.024 0.000 0.885 223 A CB 0.277 19.279 19.000 0.003 0.000 0.933 223 A HN 0.006 nan 8.150 nan 0.000 0.506 224 D N -2.275 118.096 120.400 -0.048 0.000 2.716 224 D HA -0.182 4.457 4.640 -0.001 0.000 0.239 224 D C 0.593 176.838 176.300 -0.092 0.000 1.125 224 D CA 1.014 54.987 54.000 -0.045 0.000 0.681 224 D CB -1.258 39.542 40.800 -0.000 0.000 1.070 224 D HN 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.166 122.508 122.820 -0.243 0.000 2.419 225 A HA 0.195 4.514 4.320 -0.001 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 -0.687 0.000 0.944 225 A CB 0.115 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 1.224 120.608 119.600 -0.360 0.000 2.296 226 M HA -0.125 4.354 4.480 -0.001 0.000 0.265 226 M C 2.020 178.207 176.300 -0.190 0.000 1.064 226 M CA 1.659 56.815 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 0.685 nan 8.290 nan 0.000 0.430 227 K N 0.608 120.909 120.400 -0.165 0.000 2.074 227 K HA -0.196 4.123 4.320 -0.001 0.000 0.209 227 K C 1.137 177.786 176.600 0.081 0.000 1.048 227 K CA 1.920 58.203 56.287 -0.008 0.000 0.926 227 K CB -0.979 31.562 32.500 0.068 0.000 0.713 227 K HN 0.502 nan 8.250 nan 0.000 0.444 228 Y N 0.621 120.965 120.300 0.073 0.000 2.625 228 Y HA 0.464 5.013 4.550 -0.001 0.000 0.285 228 Y C -0.377 175.578 175.900 0.091 0.000 1.168 228 Y CA -0.931 57.239 58.100 0.116 0.000 1.250 228 Y CB 0.060 38.538 38.460 0.031 0.000 1.130 228 Y HN -0.210 nan 8.280 nan 0.000 0.526 229 T N 2.013 116.543 114.554 -0.041 0.000 2.893 229 T HA 0.626 4.975 4.350 -0.001 0.000 0.291 229 T C -0.659 174.059 174.700 0.031 0.000 1.028 229 T CA -0.529 61.564 62.100 -0.012 0.000 0.995 229 T CB 1.958 70.748 68.868 -0.131 0.000 1.051 229 T HN 0.142 nan 8.240 nan 0.000 0.470 230 I N 1.837 122.445 120.570 0.064 0.000 2.474 230 I HA 0.548 4.717 4.170 -0.001 0.000 0.294 230 I C -0.777 175.385 176.117 0.074 0.000 1.005 230 I CA -1.087 60.255 61.300 0.070 0.000 1.113 230 I CB 2.079 40.137 38.000 0.097 0.000 1.289 230 I HN 0.228 nan 8.210 nan 0.000 0.436 231 V N 6.689 126.643 119.914 0.066 0.000 2.378 231 V HA 0.331 4.450 4.120 -0.001 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 1.778 33.650 31.823 0.082 0.000 0.994 231 V HN 0.389 nan 8.190 nan 0.000 0.431 232 V N 3.923 123.890 119.914 0.087 0.000 2.407 232 V HA 0.534 4.653 4.120 -0.001 0.000 0.278 232 V C 0.330 176.463 176.094 0.065 0.000 1.037 232 V CA -0.104 62.231 62.300 0.059 0.000 0.900 232 V CB 1.669 33.517 31.823 0.042 0.000 0.983 232 V HN 0.830 nan 8.190 nan 0.000 0.459 233 S N 3.888 119.623 115.700 0.059 0.000 2.659 233 S HA 0.735 5.204 4.470 -0.001 0.000 0.312 233 S C -0.259 174.367 174.600 0.044 0.000 1.114 233 S CA -0.239 57.998 58.200 0.061 0.000 1.063 233 S CB 1.058 64.299 63.200 0.069 0.000 0.996 233 S HN 1.071 nan 8.310 nan 0.000 0.478 234 A N 4.432 127.272 122.820 0.034 0.000 2.508 234 A HA 0.608 4.927 4.320 -0.001 0.000 0.336 234 A C 0.531 178.132 177.584 0.028 0.000 1.360 234 A CA -0.610 51.442 52.037 0.026 0.000 0.841 234 A CB -0.156 18.853 19.000 0.015 0.000 1.136 234 A HN 0.856 nan 8.150 nan 0.000 0.489 235 T N -1.238 113.335 114.554 0.031 0.000 2.824 235 T HA 0.552 4.901 4.350 -0.001 0.000 0.277 235 T C 1.623 176.338 174.700 0.025 0.000 0.975 235 T CA 0.018 62.137 62.100 0.031 0.000 0.966 235 T CB 1.107 69.995 68.868 0.034 0.000 1.054 235 T HN 1.154 nan 8.240 nan 0.000 0.533 236 A N 1.315 124.151 122.820 0.026 0.000 1.929 236 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 236 A C 2.459 180.053 177.584 0.017 0.000 1.211 236 A CA 2.891 54.941 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 -0.962 114.748 115.700 0.016 0.000 2.593 237 S HA 0.109 4.578 4.470 -0.001 0.000 0.217 237 S C -0.150 174.457 174.600 0.011 0.000 0.966 237 S CA -0.057 58.151 58.200 0.013 0.000 0.914 237 S CB -0.239 62.969 63.200 0.013 0.000 0.776 237 S HN 0.420 nan 8.310 nan 0.000 0.523 238 D N 2.805 123.212 120.400 0.011 0.000 2.256 238 D HA 0.551 5.190 4.640 -0.001 0.000 0.250 238 D C 0.395 176.690 176.300 -0.009 0.000 1.093 238 D CA 0.032 54.036 54.000 0.006 0.000 0.882 238 D CB 1.495 42.300 40.800 0.009 0.000 1.185 238 D HN 0.422 nan 8.370 nan 0.000 0.437 239 A N 1.863 124.670 122.820 -0.022 0.000 2.613 239 A HA 0.195 4.514 4.320 -0.001 0.000 0.230 239 A C 1.570 179.117 177.584 -0.061 0.000 1.051 239 A CA 0.605 52.616 52.037 -0.044 0.000 0.754 239 A CB 0.073 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 3.681 126.474 122.820 -0.045 0.000 1.896 240 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 240 A C 0.218 177.796 177.584 -0.010 0.000 1.206 240 A CA 2.236 54.262 52.037 -0.018 0.000 0.647 240 A CB -1.891 17.098 19.000 -0.020 0.000 0.828 240 A HN 0.716 nan 8.150 nan 0.000 0.455 241 P HA -0.157 nan 4.420 nan 0.000 0.216 241 P C 1.455 178.654 177.300 -0.169 0.000 1.150 241 P CA 1.224 64.248 63.100 -0.127 0.000 0.843 241 P CB -0.259 31.147 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 -0.136 4.203 4.340 -0.001 0.000 0.205 242 L C 2.890 179.742 176.870 -0.031 0.000 1.079 242 L CA 1.435 56.187 54.840 -0.148 0.000 0.752 242 L CB -1.246 40.754 42.059 -0.099 0.000 0.906 242 L HN -0.055 nan 8.230 nan 0.000 0.436 243 Q N -0.886 118.915 119.800 0.002 0.000 2.124 243 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 243 Q C 2.143 178.193 176.000 0.085 0.000 0.977 243 Q CA 1.832 57.658 55.803 0.038 0.000 0.850 243 Q CB -0.426 28.340 28.738 0.047 0.000 0.901 243 Q HN 0.524 nan 8.270 nan 0.000 0.429 244 Y N 1.547 121.852 120.300 0.008 0.000 2.089 244 Y HA -0.225 4.324 4.550 -0.002 0.000 0.282 244 Y C 1.838 177.804 175.900 0.109 0.000 1.139 244 Y CA 1.395 59.537 58.100 0.070 0.000 1.123 244 Y CB -0.589 37.933 38.460 0.104 0.000 0.980 244 Y HN -0.031 nan 8.280 nan 0.000 0.493 245 L N 0.220 121.254 121.223 -0.315 0.000 2.017 245 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 245 L C 2.875 179.693 176.870 -0.086 0.000 1.073 245 L CA 1.247 55.925 54.840 -0.270 0.000 0.745 245 L CB -1.235 40.765 42.059 -0.097 0.000 0.894 245 L HN 0.445 nan 8.230 nan 0.000 0.432 246 A N 0.802 123.587 122.820 -0.058 0.000 1.920 246 A HA -0.276 4.043 4.320 -0.001 0.000 0.229 246 A C -0.068 177.482 177.584 -0.056 0.000 1.516 246 A CA 2.908 54.924 52.037 -0.034 0.000 0.714 246 A CB -2.374 16.615 19.000 -0.018 0.000 0.845 246 A HN 0.371 nan 8.150 nan 0.000 0.493 247 P HA -0.131 nan 4.420 nan 0.000 0.218 247 P C 1.001 178.141 177.300 -0.267 0.000 1.149 247 P CA 1.506 64.467 63.100 -0.231 0.000 0.817 247 P CB -0.273 31.032 31.700 -0.659 0.000 0.785 248 Y N 1.207 121.434 120.300 -0.123 0.000 2.206 248 Y HA -0.115 4.434 4.550 -0.001 0.000 0.292 248 Y C 2.972 178.853 175.900 -0.031 0.000 1.123 248 Y CA 1.731 59.770 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 0.040 nan 8.280 nan 0.000 0.518 249 S N -0.539 115.229 115.700 0.113 0.000 2.419 249 S HA -0.124 4.346 4.470 -0.001 0.000 0.233 249 S C 2.249 176.893 174.600 0.073 0.000 1.016 249 S CA 1.154 59.402 58.200 0.080 0.000 0.974 249 S CB -1.105 62.133 63.200 0.064 0.000 0.786 249 S HN 0.452 nan 8.310 nan 0.000 0.492 250 G N 0.065 108.908 108.800 0.073 0.000 2.430 250 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.216 250 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.216 250 G C 1.639 176.596 174.900 0.095 0.000 1.146 250 G CA 0.599 45.743 45.100 0.073 0.000 0.793 250 G HN 0.602 nan 8.290 nan 0.000 0.537 251 C N 0.510 119.888 119.300 0.130 0.000 2.432 251 C HA -0.031 4.428 4.460 -0.001 0.000 0.277 251 C C 3.260 178.322 174.990 0.120 0.000 1.249 251 C CA 1.716 60.819 59.018 0.142 0.000 1.725 251 C CB -0.911 26.919 27.740 0.149 0.000 2.028 251 C HN 0.371 nan 8.230 nan 0.000 0.477 252 S N 0.325 116.090 115.700 0.107 0.000 2.359 252 S HA -0.267 4.202 4.470 -0.001 0.000 0.223 252 S C 1.754 176.416 174.600 0.104 0.000 1.039 252 S CA 2.291 60.546 58.200 0.091 0.000 1.042 252 S CB -0.467 62.775 63.200 0.070 0.000 0.915 252 S HN 0.649 nan 8.310 nan 0.000 0.439 253 M N 0.609 120.268 119.600 0.097 0.000 2.108 253 M HA -0.147 4.332 4.480 -0.001 0.000 0.257 253 M C 2.240 178.685 176.300 0.242 0.000 1.071 253 M CA 1.695 57.061 55.300 0.110 0.000 1.093 253 M CB -0.643 32.020 32.600 0.104 0.000 1.345 253 M HN 0.470 nan 8.290 nan 0.000 0.403 254 G N -0.957 107.989 108.800 0.243 0.000 2.572 254 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.216 254 G C 1.273 176.355 174.900 0.304 0.000 1.133 254 G CA 0.256 45.559 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 4.236 4.350 -0.001 0.000 0.191 255 E C 1.922 178.585 176.600 0.105 0.000 0.982 255 E CA 0.587 57.064 56.400 0.128 0.000 0.809 255 E CB -0.227 29.523 29.700 0.084 0.000 0.756 255 E HN 0.565 nan 8.360 nan 0.000 0.459 256 Y N 0.913 121.184 120.300 -0.048 0.000 2.151 256 Y HA -0.309 4.240 4.550 -0.002 0.000 0.284 256 Y C 1.673 177.441 175.900 -0.221 0.000 1.166 256 Y CA 1.635 59.622 58.100 -0.188 0.000 1.163 256 Y CB -0.455 37.812 38.460 -0.322 0.000 0.974 256 Y HN -0.074 nan 8.280 nan 0.000 0.511 257 F N 0.346 120.346 119.950 0.083 0.000 2.084 257 F HA -0.098 4.428 4.527 -0.002 0.000 0.296 257 F C 2.841 178.575 175.800 -0.110 0.000 1.111 257 F CA 1.909 59.881 58.000 -0.046 0.000 1.224 257 F CB -0.993 38.077 39.000 0.117 0.000 0.991 257 F HN -0.093 nan 8.300 nan 0.000 0.471 258 R N 0.866 121.454 120.500 0.147 0.000 2.136 258 R HA -0.238 4.102 4.340 -0.001 0.000 0.242 258 R C 1.782 178.056 176.300 -0.044 0.000 1.131 258 R CA 2.489 58.605 56.100 0.028 0.000 0.937 258 R CB -0.756 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 4.521 4.640 -0.001 0.000 0.201 259 D C 0.482 176.718 176.300 -0.106 0.000 0.986 259 D CA 1.088 55.049 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 -0.331 118.247 118.700 -0.204 0.000 2.597 260 N HA 0.282 5.021 4.740 -0.001 0.000 0.269 260 N C 0.920 176.353 175.510 -0.128 0.000 1.204 260 N CA 0.366 53.288 53.050 -0.213 0.000 0.947 260 N CB 0.507 38.746 38.487 -0.415 0.000 1.258 260 N HN 0.105 nan 8.380 nan 0.000 0.508 261 G N -0.255 108.485 108.800 -0.099 0.000 2.186 261 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.266 261 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.266 261 G C 0.289 175.107 174.900 -0.136 0.000 0.982 261 G CA 0.566 45.608 45.100 -0.097 0.000 0.670 261 G HN 0.396 nan 8.290 nan 0.000 0.533 262 K N 0.003 120.342 120.400 -0.102 0.000 2.139 262 K HA 0.572 4.891 4.320 -0.001 0.000 0.243 262 K C -0.083 176.418 176.600 -0.165 0.000 0.983 262 K CA -0.866 55.432 56.287 0.018 0.000 0.890 262 K CB 0.768 33.452 32.500 0.306 0.000 1.090 262 K HN 0.330 nan 8.250 nan 0.000 0.445 263 H N -0.052 119.122 119.070 0.174 0.000 2.457 263 H HA 0.543 5.098 4.556 -0.001 0.000 0.335 263 H C -0.862 174.506 175.328 0.067 0.000 1.115 263 H CA -0.646 55.448 56.048 0.077 0.000 1.219 263 H CB 1.938 31.683 29.762 -0.027 0.000 1.471 263 H HN 0.650 nan 8.280 nan 0.000 0.491 264 A N 3.033 125.935 122.820 0.136 0.000 2.486 264 A HA 0.441 4.761 4.320 -0.001 0.000 0.300 264 A C -1.517 176.078 177.584 0.018 0.000 1.048 264 A CA -0.632 51.429 52.037 0.039 0.000 0.696 264 A CB 1.904 20.953 19.000 0.081 0.000 1.278 264 A HN 0.440 nan 8.150 nan 0.000 0.405 265 L N 2.389 123.597 121.223 -0.025 0.000 2.322 265 L HA 0.827 5.166 4.340 -0.001 0.000 0.281 265 L C -0.854 175.971 176.870 -0.076 0.000 1.014 265 L CA -0.577 54.237 54.840 -0.044 0.000 0.815 265 L CB 1.145 43.182 42.059 -0.037 0.000 1.247 265 L HN 0.681 nan 8.230 nan 0.000 0.421 266 I N 4.983 125.463 120.570 -0.151 0.000 2.533 266 I HA 0.524 4.694 4.170 -0.001 0.000 0.290 266 I C -1.460 174.392 176.117 -0.441 0.000 1.056 266 I CA -0.601 60.517 61.300 -0.302 0.000 1.057 266 I CB 1.693 39.450 38.000 -0.406 0.000 1.240 266 I HN 0.569 nan 8.210 nan 0.000 0.423 267 I N 8.070 128.377 120.570 -0.438 0.000 2.362 267 I HA 0.289 4.458 4.170 -0.001 0.000 0.289 267 I C -1.167 174.589 176.117 -0.601 0.000 0.994 267 I CA -0.212 60.835 61.300 -0.422 0.000 1.158 267 I CB 1.160 39.041 38.000 -0.197 0.000 1.315 267 I HN 0.310 nan 8.210 nan 0.000 0.451 268 Y N 4.146 124.282 120.300 -0.272 0.000 2.434 268 Y HA 0.427 4.976 4.550 -0.001 0.000 0.341 268 Y C -0.021 175.693 175.900 -0.310 0.000 0.965 268 Y CA -0.798 57.120 58.100 -0.302 0.000 1.205 268 Y CB 0.667 38.964 38.460 -0.271 0.000 1.121 268 Y HN 0.404 nan 8.280 nan 0.000 0.507 269 D N 3.508 123.756 120.400 -0.254 0.000 2.454 269 D HA 0.254 4.893 4.640 -0.001 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 -0.190 0.000 0.877 269 D CB 0.695 41.323 40.800 -0.287 0.000 1.082 269 D HN 0.577 nan 8.370 nan 0.000 0.537 270 D N 1.665 122.028 120.400 -0.063 0.000 2.414 270 D HA 0.322 4.961 4.640 -0.001 0.000 0.241 270 D C 1.279 177.523 176.300 -0.093 0.000 1.008 270 D CA -0.712 53.247 54.000 -0.069 0.000 1.001 270 D CB 1.965 42.739 40.800 -0.044 0.000 1.277 270 D HN 0.121 nan 8.370 nan 0.000 0.538 271 L N 0.292 121.424 121.223 -0.153 0.000 2.446 271 L HA -0.002 4.338 4.340 -0.001 0.000 0.219 271 L C 1.753 178.556 176.870 -0.112 0.000 1.116 271 L CA 0.431 55.117 54.840 -0.258 0.000 0.844 271 L CB -0.094 41.626 42.059 -0.565 0.000 0.970 271 L HN 0.351 nan 8.230 nan 0.000 0.457 272 S N 0.287 115.949 115.700 -0.062 0.000 2.345 272 S HA -0.148 4.321 4.470 -0.001 0.000 0.220 272 S C 1.906 176.543 174.600 0.062 0.000 1.031 272 S CA 1.225 59.431 58.200 0.010 0.000 0.996 272 S CB -0.034 63.173 63.200 0.011 0.000 0.882 272 S HN 0.370 nan 8.310 nan 0.000 0.445 273 K N 1.139 121.563 120.400 0.040 0.000 2.097 273 K HA -0.118 4.201 4.320 -0.001 0.000 0.206 273 K C 2.422 179.073 176.600 0.086 0.000 1.049 273 K CA 1.005 57.328 56.287 0.061 0.000 0.933 273 K CB -0.180 32.342 32.500 0.037 0.000 0.717 273 K HN 0.371 nan 8.250 nan 0.000 0.442 274 Q N 0.906 120.750 119.800 0.073 0.000 2.119 274 Q HA -0.137 4.203 4.340 -0.001 0.000 0.201 274 Q C 2.070 178.191 176.000 0.201 0.000 0.972 274 Q CA 1.334 57.207 55.803 0.117 0.000 0.847 274 Q CB -0.062 28.710 28.738 0.057 0.000 0.903 274 Q HN 0.314 nan 8.270 nan 0.000 0.433 275 A N 0.247 123.193 122.820 0.210 0.000 1.908 275 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 275 A C 2.239 180.046 177.584 0.372 0.000 1.181 275 A CA 1.662 53.842 52.037 0.238 0.000 0.627 275 A CB -0.833 18.239 19.000 0.119 0.000 0.818 275 A HN 0.298 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 -0.271 3.849 4.120 -0.001 0.000 0.247 276 V C 3.060 179.239 176.094 0.142 0.000 1.051 276 V CA 1.978 64.405 62.300 0.211 0.000 1.036 276 V CB -1.260 30.645 31.823 0.137 0.000 0.654 276 V HN 0.641 nan 8.190 nan 0.000 0.451 277 A N -0.911 121.998 122.820 0.148 0.000 1.883 277 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 277 A C 2.180 179.832 177.584 0.113 0.000 1.186 277 A CA 2.245 54.354 52.037 0.119 0.000 0.624 277 A CB -0.816 18.274 19.000 0.151 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 -0.208 4.341 4.550 -0.002 0.000 0.286 278 Y C 2.554 178.440 175.900 -0.024 0.000 1.145 278 Y CA 2.082 60.151 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 0.339 120.859 120.500 0.034 0.000 2.083 279 R HA -0.286 4.053 4.340 -0.001 0.000 0.237 279 R C 2.443 178.639 176.300 -0.174 0.000 1.137 279 R CA 2.120 58.164 56.100 -0.094 0.000 0.951 279 R CB -0.545 29.677 30.300 -0.130 0.000 0.851 279 R HN 0.579 nan 8.270 nan 0.000 0.434 280 Q N 0.102 119.835 119.800 -0.111 0.000 2.112 280 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 280 Q C 2.036 177.954 176.000 -0.137 0.000 0.987 280 Q CA 2.299 58.040 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 -0.450 119.036 119.600 -0.190 0.000 2.193 281 M HA -0.087 4.393 4.480 -0.001 0.000 0.265 281 M C 2.319 178.470 176.300 -0.248 0.000 1.071 281 M CA 1.177 56.355 55.300 -0.202 0.000 1.140 281 M CB 0.054 32.510 32.600 -0.240 0.000 1.369 281 M HN 0.121 nan 8.290 nan 0.000 0.423 282 S N 1.524 116.986 115.700 -0.398 0.000 2.351 282 S HA -0.134 4.336 4.470 -0.001 0.000 0.220 282 S C 1.921 176.407 174.600 -0.189 0.000 1.035 282 S CA 1.370 59.358 58.200 -0.355 0.000 1.031 282 S CB -0.688 62.233 63.200 -0.466 0.000 0.928 282 S HN 0.384 nan 8.310 nan 0.000 0.433 283 L N 0.896 122.022 121.223 -0.163 0.000 2.083 283 L HA -0.055 4.284 4.340 -0.001 0.000 0.209 283 L C 2.236 179.055 176.870 -0.084 0.000 1.083 283 L CA 0.941 55.717 54.840 -0.107 0.000 0.752 283 L CB -0.539 41.458 42.059 -0.102 0.000 0.899 283 L HN 0.265 nan 8.230 nan 0.000 0.433 284 L N -0.707 120.463 121.223 -0.089 0.000 2.291 284 L HA -0.151 4.188 4.340 -0.001 0.000 0.214 284 L C 2.017 178.856 176.870 -0.051 0.000 1.120 284 L CA 0.729 55.532 54.840 -0.062 0.000 0.799 284 L CB -0.161 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 -0.868 120.316 121.223 -0.065 0.000 2.591 285 L HA 0.077 4.416 4.340 -0.001 0.000 0.228 285 L C 0.790 177.638 176.870 -0.036 0.000 1.133 285 L CA 0.091 54.905 54.840 -0.044 0.000 0.880 285 L CB -0.084 41.942 42.059 -0.054 0.000 1.033 285 L HN 0.212 nan 8.230 nan 0.000 0.450 286 R N -0.092 120.382 120.500 -0.045 0.000 3.776 286 R HA -0.142 4.198 4.340 -0.001 0.000 0.312 286 R C -0.006 176.274 176.300 -0.032 0.000 1.181 286 R CA 0.368 56.447 56.100 -0.035 0.000 0.836 286 R CB -1.429 28.858 30.300 -0.021 0.000 1.324 286 R HN 0.373 nan 8.270 nan 0.000 0.501 287 R N 1.304 121.778 120.500 -0.044 0.000 2.679 287 R HA 0.191 4.530 4.340 -0.001 0.000 0.269 287 R C -1.938 174.349 176.300 -0.021 0.000 1.076 287 R CA -1.379 54.704 56.100 -0.028 0.000 1.160 287 R CB 0.019 30.297 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 62.003 63.100 0.003 0.000 0.765 288 P CB 0.163 31.870 31.700 0.012 0.000 0.828 289 P HA 0.347 nan 4.420 nan 0.000 0.294 289 P C 0.027 177.343 177.300 0.027 0.000 1.294 289 P CA -0.061 63.047 63.100 0.012 0.000 0.827 289 P CB 1.693 33.382 31.700 -0.018 0.000 0.992 290 G N 2.011 110.849 108.800 0.063 0.000 2.971 290 G HA2 0.380 4.339 3.960 -0.001 0.000 0.235 290 G HA3 0.380 4.339 3.960 -0.001 0.000 0.235 290 G C -0.578 174.335 174.900 0.023 0.000 1.351 290 G CA -1.037 44.087 45.100 0.041 0.000 1.039 290 G HN 0.552 nan 8.290 nan 0.000 0.563 291 R N 0.333 120.791 120.500 -0.070 0.000 2.500 291 R HA -0.037 4.302 4.340 -0.001 0.000 0.281 291 R C 0.223 176.571 176.300 0.080 0.000 0.953 291 R CA 1.370 57.409 56.100 -0.102 0.000 1.108 291 R CB -0.223 29.853 30.300 -0.373 0.000 0.901 291 R HN 0.789 nan 8.270 nan 0.000 0.410 292 E N 1.931 122.184 120.200 0.088 0.000 3.170 292 E HA -0.337 4.012 4.350 -0.001 0.000 0.284 292 E C 0.314 176.875 176.600 -0.065 0.000 0.967 292 E CA 0.545 57.022 56.400 0.127 0.000 0.919 292 E CB -1.349 28.604 29.700 0.422 0.000 1.469 292 E HN 0.890 nan 8.360 nan 0.000 0.444 293 A N -2.006 120.786 122.820 -0.047 0.000 2.979 293 A HA -0.293 4.026 4.320 -0.001 0.000 0.260 293 A C -0.007 177.488 177.584 -0.149 0.000 1.282 293 A CA 1.723 53.691 52.037 -0.115 0.000 0.971 293 A CB -2.057 16.839 19.000 -0.174 0.000 1.124 293 A HN 0.406 nan 8.150 nan 0.000 0.826 294 Y N 0.815 121.212 120.300 0.162 0.000 2.309 294 Y HA 0.449 4.997 4.550 -0.002 0.000 0.327 294 Y C -1.281 174.728 175.900 0.182 0.000 1.172 294 Y CA -1.319 56.902 58.100 0.202 0.000 1.280 294 Y CB 0.422 39.104 38.460 0.371 0.000 1.234 294 Y HN 0.253 nan 8.280 nan 0.000 0.512 295 P HA 0.010 nan 4.420 nan 0.000 0.272 295 P C 0.636 178.103 177.300 0.277 0.000 1.223 295 P CA 0.097 63.319 63.100 0.204 0.000 0.784 295 P CB 0.928 32.708 31.700 0.132 0.000 0.923 296 G N 1.599 110.523 108.800 0.207 0.000 2.501 296 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.220 296 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.220 296 G C 0.710 175.751 174.900 0.235 0.000 1.114 296 G CA 0.553 45.775 45.100 0.203 0.000 0.757 296 G HN 0.662 nan 8.290 nan 0.000 0.559 297 D N 0.098 120.663 120.400 0.275 0.000 2.525 297 D HA 0.103 4.742 4.640 -0.001 0.000 0.229 297 D C 1.631 178.091 176.300 0.268 0.000 1.202 297 D CA -0.428 53.764 54.000 0.320 0.000 0.828 297 D CB 0.234 41.259 40.800 0.375 0.000 1.008 297 D HN 0.094 nan 8.370 nan 0.000 0.493 298 V N -0.201 119.842 119.914 0.215 0.000 2.548 298 V HA -0.082 4.037 4.120 -0.001 0.000 0.249 298 V C 1.761 177.750 176.094 -0.175 0.000 1.055 298 V CA 1.024 63.314 62.300 -0.016 0.000 1.065 298 V CB -0.716 31.101 31.823 -0.011 0.000 0.681 298 V HN 0.228 nan 8.190 nan 0.000 0.462 299 F N 0.023 119.916 119.950 -0.094 0.000 2.146 299 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 299 F C 2.133 177.941 175.800 0.013 0.000 1.096 299 F CA 2.233 60.196 58.000 -0.061 0.000 1.275 299 F CB -0.481 38.541 39.000 0.035 0.000 1.008 299 F HN 0.371 nan 8.300 nan 0.000 0.480 300 Y N 0.458 120.826 120.300 0.113 0.000 2.421 300 Y HA -0.119 4.431 4.550 0.001 0.000 0.292 300 Y C 1.885 177.721 175.900 -0.108 0.000 1.136 300 Y CA 1.234 59.360 58.100 0.044 0.000 1.255 300 Y CB -0.642 37.882 38.460 0.107 0.000 0.991 300 Y HN 0.228 nan 8.280 nan 0.000 0.552 301 L N -0.625 120.412 121.223 -0.311 0.000 2.109 301 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 301 L C 2.098 178.809 176.870 -0.267 0.000 1.086 301 L CA 1.998 56.592 54.840 -0.411 0.000 0.760 301 L CB -0.570 41.134 42.059 -0.592 0.000 0.910 301 L HN 0.288 nan 8.230 nan 0.000 0.437 302 H N -1.958 116.919 119.070 -0.323 0.000 2.431 302 H HA -0.012 4.543 4.556 -0.001 0.000 0.295 302 H C 2.366 177.475 175.328 -0.364 0.000 1.038 302 H CA 0.793 56.616 56.048 -0.375 0.000 1.360 302 H CB 0.161 29.673 29.762 -0.416 0.000 1.433 302 H HN 0.479 nan 8.280 nan 0.000 0.536 303 S N 1.613 117.127 115.700 -0.309 0.000 2.368 303 S HA -0.224 4.245 4.470 -0.001 0.000 0.225 303 S C 2.047 176.594 174.600 -0.089 0.000 1.030 303 S CA 1.253 59.307 58.200 -0.243 0.000 0.999 303 S CB -0.306 62.755 63.200 -0.231 0.000 0.844 303 S HN 0.536 nan 8.310 nan 0.000 0.459 304 R N 0.644 121.090 120.500 -0.091 0.000 2.235 304 R HA 0.184 4.523 4.340 -0.001 0.000 0.213 304 R C 2.144 178.442 176.300 -0.003 0.000 1.059 304 R CA 0.969 57.038 56.100 -0.052 0.000 0.997 304 R CB -0.499 29.699 30.300 -0.169 0.000 0.884 304 R HN 0.472 nan 8.270 nan 0.000 0.462 305 L N 0.651 121.859 121.223 -0.025 0.000 2.121 305 L HA 0.143 4.482 4.340 -0.001 0.000 0.200 305 L C 1.894 178.700 176.870 -0.107 0.000 1.077 305 L CA 1.293 56.082 54.840 -0.085 0.000 0.766 305 L CB -0.268 41.560 42.059 -0.384 0.000 0.931 305 L HN 0.165 nan 8.230 nan 0.000 0.452 306 L N -0.069 121.073 121.223 -0.135 0.000 2.456 306 L HA -0.061 4.278 4.340 -0.001 0.000 0.224 306 L C 2.160 179.014 176.870 -0.027 0.000 1.148 306 L CA 0.418 55.211 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 4.305 4.350 -0.001 0.000 0.192 307 E C 1.957 178.561 176.600 0.007 0.000 0.986 307 E CA 0.359 56.759 56.400 -0.001 0.000 0.849 307 E CB 0.133 29.839 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 0.059 4.398 4.340 -0.001 0.000 0.202 308 R C 0.737 177.055 176.300 0.029 0.000 1.047 308 R CA 0.391 56.505 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 1.054 123.891 122.820 0.029 0.000 2.309 309 A HA 0.730 5.049 4.320 -0.001 0.000 0.298 309 A C -0.266 177.326 177.584 0.013 0.000 1.165 309 A CA -0.151 51.904 52.037 0.029 0.000 0.821 309 A CB 0.908 19.928 19.000 0.033 0.000 1.102 309 A HN 0.252 nan 8.150 nan 0.000 0.500 310 A N 1.780 124.607 122.820 0.011 0.000 2.567 310 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 310 A C -1.067 176.522 177.584 0.009 0.000 1.048 310 A CA -0.713 51.325 52.037 0.002 0.000 0.661 310 A CB 0.743 19.732 19.000 -0.018 0.000 1.288 310 A HN 0.979 nan 8.150 nan 0.000 0.424 311 K N 1.770 122.177 120.400 0.011 0.000 2.253 311 K HA 0.592 4.911 4.320 -0.001 0.000 0.277 311 K C -0.106 176.503 176.600 0.015 0.000 1.053 311 K CA -0.309 55.995 56.287 0.029 0.000 0.892 311 K CB 0.261 32.783 32.500 0.036 0.000 1.102 311 K HN 0.612 nan 8.250 nan 0.000 0.469 312 M N 2.414 122.023 119.600 0.015 0.000 2.163 312 M HA 0.182 4.661 4.480 -0.001 0.000 0.305 312 M C 0.326 176.669 176.300 0.073 0.000 1.166 312 M CA -0.479 54.833 55.300 0.020 0.000 1.132 312 M CB 0.107 32.726 32.600 0.033 0.000 1.413 312 M HN 0.752 nan 8.290 nan 0.000 0.478 313 N N 0.150 118.932 118.700 0.136 0.000 2.492 313 N HA 0.184 4.924 4.740 -0.001 0.000 0.289 313 N C -0.033 175.564 175.510 0.144 0.000 1.133 313 N CA -0.493 52.643 53.050 0.143 0.000 0.961 313 N CB 0.610 39.197 38.487 0.167 0.000 1.186 313 N HN 0.417 nan 8.380 nan 0.000 0.493 314 D N 0.835 121.285 120.400 0.082 0.000 2.172 314 D HA -0.255 4.385 4.640 -0.001 0.000 0.196 314 D C 1.486 177.797 176.300 0.019 0.000 0.999 314 D CA 1.989 56.018 54.000 0.047 0.000 0.856 314 D CB -0.355 40.461 40.800 0.027 0.000 0.934 314 D HN 0.763 nan 8.370 nan 0.000 0.453 315 A N 0.135 122.964 122.820 0.014 0.000 2.024 315 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 315 A C 1.650 179.070 177.584 -0.272 0.000 1.164 315 A CA 1.083 53.052 52.037 -0.113 0.000 0.643 315 A CB -0.597 18.347 19.000 -0.095 0.000 0.806 315 A HN 0.181 nan 8.150 nan 0.000 0.451 316 F N -2.132 117.809 119.950 -0.015 0.000 2.678 316 F HA 0.403 4.929 4.527 -0.001 0.000 0.305 316 F C 1.711 177.489 175.800 -0.035 0.000 1.090 316 F CA 0.641 58.627 58.000 -0.023 0.000 1.272 316 F CB 0.952 39.941 39.000 -0.019 0.000 1.060 316 F HN 0.344 nan 8.300 nan 0.000 0.576 317 G N -0.785 108.069 108.800 0.089 0.000 2.229 317 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.189 317 G C 1.241 176.153 174.900 0.020 0.000 1.000 317 G CA -0.188 44.931 45.100 0.032 0.000 0.663 317 G HN 0.860 nan 8.290 nan 0.000 0.493 318 G N -0.208 108.623 108.800 0.050 0.000 2.186 318 G HA2 0.124 4.083 3.960 -0.001 0.000 0.266 318 G HA3 0.124 4.083 3.960 -0.001 0.000 0.266 318 G C 1.429 176.317 174.900 -0.020 0.000 0.982 318 G CA 1.301 46.429 45.100 0.047 0.000 0.670 318 G HN 2.071 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 0.637 4.596 3.960 -0.001 0.000 0.246 319 G HA3 0.637 4.596 3.960 -0.001 0.000 0.246 319 G C 0.355 175.138 174.900 -0.194 0.000 1.216 319 G CA 1.120 46.025 45.100 -0.324 0.000 0.854 319 G HN 1.743 nan 8.290 nan 0.000 0.572 320 S N -0.977 114.602 115.700 -0.202 0.000 2.661 320 S HA 0.698 5.167 4.470 -0.001 0.000 0.285 320 S C -1.389 173.253 174.600 0.070 0.000 1.138 320 S CA -0.848 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 1.038 nan 8.310 nan 0.000 0.484 321 L N 1.802 123.064 121.223 0.064 0.000 2.471 321 L HA 0.575 4.914 4.340 -0.001 0.000 0.263 321 L C -0.705 176.184 176.870 0.031 0.000 0.985 321 L CA 0.216 55.090 54.840 0.056 0.000 0.868 321 L CB 1.493 43.587 42.059 0.057 0.000 1.203 321 L HN 0.930 nan 8.230 nan 0.000 0.429 322 T N 3.437 117.999 114.554 0.013 0.000 2.882 322 T HA 0.834 5.183 4.350 -0.001 0.000 0.287 322 T C -0.160 174.515 174.700 -0.041 0.000 0.992 322 T CA -0.177 61.915 62.100 -0.013 0.000 1.076 322 T CB 1.449 70.300 68.868 -0.027 0.000 0.961 322 T HN 0.742 nan 8.240 nan 0.000 0.490 323 A N 3.009 125.805 122.820 -0.040 0.000 2.356 323 A HA 0.743 5.062 4.320 -0.001 0.000 0.310 323 A C -0.803 176.738 177.584 -0.072 0.000 1.075 323 A CA -0.757 51.235 52.037 -0.076 0.000 0.746 323 A CB 0.809 19.815 19.000 0.010 0.000 1.221 323 A HN 0.837 nan 8.150 nan 0.000 0.443 324 L N 4.172 125.317 121.223 -0.129 0.000 2.337 324 L HA 0.389 4.729 4.340 -0.001 0.000 0.269 324 L C -2.471 174.343 176.870 -0.093 0.000 1.018 324 L CA -1.783 52.999 54.840 -0.097 0.000 0.876 324 L CB 1.837 43.843 42.059 -0.089 0.000 1.236 324 L HN 0.447 nan 8.230 nan 0.000 0.436 325 P HA 0.293 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 -0.447 62.668 63.100 0.025 0.000 0.835 325 P CB 2.027 33.726 31.700 -0.002 0.000 1.017 326 V N 4.402 124.269 119.914 -0.078 0.000 2.483 326 V HA 0.440 4.559 4.120 -0.001 0.000 0.295 326 V C 0.232 176.263 176.094 -0.105 0.000 1.035 326 V CA -0.571 61.676 62.300 -0.089 0.000 0.896 326 V CB 1.662 33.444 31.823 -0.069 0.000 0.986 326 V HN 0.425 nan 8.190 nan 0.000 0.447 327 I N 3.244 123.754 120.570 -0.099 0.000 2.465 327 I HA 0.416 4.585 4.170 -0.001 0.000 0.291 327 I C 0.009 176.099 176.117 -0.045 0.000 1.014 327 I CA -0.389 60.859 61.300 -0.086 0.000 1.093 327 I CB 2.028 39.970 38.000 -0.096 0.000 1.267 327 I HN 0.804 nan 8.210 nan 0.000 0.431 328 E N 5.283 125.469 120.200 -0.022 0.000 2.115 328 E HA 0.325 4.674 4.350 -0.001 0.000 0.282 328 E C -0.303 176.310 176.600 0.023 0.000 0.987 328 E CA -0.373 56.027 56.400 0.000 0.000 0.797 328 E CB 1.036 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 1.919 116.494 114.554 0.035 0.000 2.824 329 T HA 0.279 4.629 4.350 -0.001 0.000 0.277 329 T C 0.044 174.777 174.700 0.055 0.000 0.975 329 T CA -0.842 61.292 62.100 0.057 0.000 0.966 329 T CB 1.336 70.253 68.868 0.082 0.000 1.054 329 T HN 0.371 nan 8.240 nan 0.000 0.533 330 Q N 0.136 119.973 119.800 0.062 0.000 2.325 330 Q HA 0.539 4.878 4.340 -0.001 0.000 0.270 330 Q C 0.272 176.304 176.000 0.053 0.000 1.020 330 Q CA -0.213 55.623 55.803 0.056 0.000 0.785 330 Q CB 1.473 30.248 28.738 0.061 0.000 1.259 330 Q HN 1.268 nan 8.270 nan 0.000 0.452 331 A N 2.123 124.972 122.820 0.047 0.000 2.783 331 A HA -0.183 4.136 4.320 -0.001 0.000 0.292 331 A C 1.123 178.735 177.584 0.046 0.000 1.495 331 A CA 1.457 53.521 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 1.626 nan 8.150 nan 0.000 0.516 332 G N -1.002 107.830 108.800 0.054 0.000 2.203 332 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.263 332 G C 0.024 174.959 174.900 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 0.317 4.956 4.640 -0.001 0.000 0.224 333 D C 2.007 178.357 176.300 0.085 0.000 1.123 333 D CA 0.272 54.310 54.000 0.064 0.000 1.030 333 D CB 0.076 40.915 40.800 0.066 0.000 1.093 333 D HN 0.545 nan 8.370 nan 0.000 0.497 334 V N 0.527 120.497 119.914 0.092 0.000 2.867 334 V HA -0.101 4.018 4.120 -0.001 0.000 0.260 334 V C 1.596 177.762 176.094 0.119 0.000 1.099 334 V CA 1.150 63.533 62.300 0.138 0.000 1.122 334 V CB -0.482 31.456 31.823 0.192 0.000 0.708 334 V HN 0.259 nan 8.190 nan 0.000 0.490 335 S N 0.439 116.194 115.700 0.092 0.000 2.575 335 S HA 0.585 5.054 4.470 -0.001 0.000 0.215 335 S C 1.217 175.885 174.600 0.113 0.000 0.966 335 S CA 0.289 58.545 58.200 0.094 0.000 0.911 335 S CB -0.151 63.089 63.200 0.067 0.000 0.780 335 S HN 0.902 nan 8.310 nan 0.000 0.514 336 A N 0.829 123.720 122.820 0.118 0.000 2.364 336 A HA 0.307 4.626 4.320 -0.001 0.000 0.258 336 A C 0.998 178.710 177.584 0.213 0.000 1.131 336 A CA -0.065 52.061 52.037 0.149 0.000 0.800 336 A CB -0.256 18.826 19.000 0.136 0.000 1.086 336 A HN 0.305 nan 8.150 nan 0.000 0.508 337 Y N 0.006 120.348 120.300 0.070 0.000 2.036 337 Y HA -0.197 4.352 4.550 -0.002 0.000 0.273 337 Y C 2.012 177.912 175.900 -0.000 0.000 1.135 337 Y CA 2.288 60.415 58.100 0.045 0.000 1.106 337 Y CB -0.796 37.710 38.460 0.077 0.000 0.976 337 Y HN 0.456 nan 8.280 nan 0.000 0.483 338 I N 0.583 121.039 120.570 -0.190 0.000 2.208 338 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 338 I C -0.757 175.313 176.117 -0.078 0.000 1.097 338 I CA 1.626 62.766 61.300 -0.265 0.000 1.363 338 I CB -1.912 35.904 38.000 -0.307 0.000 1.051 338 I HN 0.208 nan 8.210 nan 0.000 0.413 339 P HA -0.112 nan 4.420 nan 0.000 0.216 339 P C 1.724 179.060 177.300 0.060 0.000 1.150 339 P CA 1.554 64.670 63.100 0.027 0.000 0.837 339 P CB -0.214 31.527 31.700 0.068 0.000 0.786 340 T N -0.792 113.820 114.554 0.097 0.000 2.777 340 T HA -0.096 4.253 4.350 -0.001 0.000 0.266 340 T C 1.597 176.386 174.700 0.148 0.000 1.040 340 T CA 1.325 63.505 62.100 0.133 0.000 1.141 340 T CB -0.785 68.190 68.868 0.178 0.000 0.868 340 T HN 0.102 nan 8.240 nan 0.000 0.444 341 N N 1.218 120.001 118.700 0.138 0.000 2.013 341 N HA -0.081 4.658 4.740 -0.001 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 1.745 121.651 119.914 -0.013 0.000 2.469 342 V HA -0.166 3.954 4.120 -0.001 0.000 0.251 342 V C 2.257 178.329 176.094 -0.037 0.000 1.064 342 V CA 1.158 63.406 62.300 -0.086 0.000 1.066 342 V CB -0.543 31.179 31.823 -0.168 0.000 0.667 342 V HN 0.267 nan 8.190 nan 0.000 0.461 343 I N 1.097 121.674 120.570 0.012 0.000 2.252 343 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 343 I C 2.686 178.840 176.117 0.062 0.000 1.102 343 I CA 1.906 63.225 61.300 0.031 0.000 1.385 343 I CB -0.458 37.596 38.000 0.090 0.000 1.064 343 I HN 0.508 nan 8.210 nan 0.000 0.414 344 S N 0.791 116.556 115.700 0.108 0.000 2.474 344 S HA -0.058 4.411 4.470 -0.001 0.000 0.235 344 S C 1.767 176.455 174.600 0.146 0.000 0.997 344 S CA 0.829 59.116 58.200 0.145 0.000 0.949 344 S CB -0.406 62.922 63.200 0.213 0.000 0.766 344 S HN 0.453 nan 8.310 nan 0.000 0.517 345 I N 1.486 122.109 120.570 0.087 0.000 3.081 345 I HA 0.058 4.227 4.170 -0.001 0.000 0.274 345 I C 1.322 177.446 176.117 0.011 0.000 1.178 345 I CA 0.576 61.901 61.300 0.042 0.000 1.460 345 I CB -0.298 37.648 38.000 -0.090 0.000 1.137 345 I HN 0.388 nan 8.210 nan 0.000 0.443 346 T N -2.285 112.263 114.554 -0.010 0.000 2.874 346 T HA 0.136 4.485 4.350 -0.001 0.000 0.281 346 T C 0.570 175.268 174.700 -0.004 0.000 0.994 346 T CA -0.555 61.533 62.100 -0.021 0.000 1.015 346 T CB 1.203 70.041 68.868 -0.051 0.000 1.028 346 T HN 0.030 nan 8.240 nan 0.000 0.523 347 D N 0.405 120.799 120.400 -0.009 0.000 2.349 347 D HA 0.281 4.921 4.640 -0.001 0.000 0.224 347 D C 0.948 177.246 176.300 -0.002 0.000 1.029 347 D CA 0.514 54.514 54.000 -0.000 0.000 0.879 347 D CB 0.110 40.908 40.800 -0.004 0.000 0.906 347 D HN 0.888 nan 8.370 nan 0.000 0.528 348 G N 0.070 108.860 108.800 -0.016 0.000 2.316 348 G HA2 0.319 4.278 3.960 -0.001 0.000 0.296 348 G HA3 0.319 4.278 3.960 -0.001 0.000 0.296 348 G C -1.928 172.927 174.900 -0.076 0.000 1.399 348 G CA -0.808 44.281 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 0.673 5.012 4.340 -0.001 0.000 0.275 349 Q C -0.686 175.135 176.000 -0.298 0.000 1.063 349 Q CA -0.465 55.143 55.803 -0.325 0.000 0.819 349 Q CB 2.792 31.109 28.738 -0.701 0.000 1.356 349 Q HN 0.580 nan 8.270 nan 0.000 0.418 350 I N 2.644 123.019 120.570 -0.325 0.000 2.330 350 I HA 0.339 4.508 4.170 -0.001 0.000 0.286 350 I C -0.896 175.081 176.117 -0.234 0.000 1.025 350 I CA -0.458 60.743 61.300 -0.165 0.000 1.197 350 I CB 0.409 38.351 38.000 -0.096 0.000 1.358 350 I HN 0.466 nan 8.210 nan 0.000 0.467 351 F N 6.829 126.781 119.950 0.004 0.000 2.421 351 F HA 0.378 4.904 4.527 -0.002 0.000 0.358 351 F C 0.258 176.063 175.800 0.009 0.000 1.115 351 F CA -0.244 57.759 58.000 0.005 0.000 1.160 351 F CB 0.627 39.632 39.000 0.008 0.000 1.123 351 F HN 0.208 nan 8.300 nan 0.000 0.508 352 L N 4.001 125.311 121.223 0.145 0.000 2.357 352 L HA 0.489 4.829 4.340 -0.001 0.000 0.273 352 L C -0.263 176.670 176.870 0.105 0.000 1.080 352 L CA -0.524 54.377 54.840 0.100 0.000 0.803 352 L CB 1.306 43.389 42.059 0.039 0.000 1.174 352 L HN 0.543 nan 8.230 nan 0.000 0.443 353 E N 0.532 120.789 120.200 0.094 0.000 2.256 353 E HA 0.223 4.572 4.350 -0.001 0.000 0.268 353 E C -0.087 176.566 176.600 0.088 0.000 0.877 353 E CA -0.442 56.008 56.400 0.084 0.000 0.757 353 E CB 2.219 31.969 29.700 0.084 0.000 1.183 353 E HN 0.587 nan 8.360 nan 0.000 0.418 354 T N 1.344 115.942 114.554 0.073 0.000 2.652 354 T HA -0.262 4.087 4.350 -0.001 0.000 0.267 354 T C 1.613 176.429 174.700 0.194 0.000 1.039 354 T CA 1.783 63.946 62.100 0.105 0.000 1.153 354 T CB -0.081 68.876 68.868 0.150 0.000 0.863 354 T HN 0.644 nan 8.240 nan 0.000 0.428 355 E N 1.017 121.318 120.200 0.169 0.000 2.065 355 E HA -0.192 4.157 4.350 -0.001 0.000 0.201 355 E C 2.186 178.876 176.600 0.150 0.000 1.016 355 E CA 1.292 57.792 56.400 0.167 0.000 0.818 355 E CB -0.366 29.401 29.700 0.111 0.000 0.749 355 E HN 0.466 nan 8.360 nan 0.000 0.453 356 L N -0.176 121.117 121.223 0.116 0.000 1.970 356 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 356 L C 2.546 179.462 176.870 0.076 0.000 1.071 356 L CA 1.595 56.489 54.840 0.090 0.000 0.751 356 L CB -0.740 41.370 42.059 0.084 0.000 0.889 356 L HN 0.232 nan 8.230 nan 0.000 0.432 357 F N 0.285 120.183 119.950 -0.087 0.000 2.032 357 F HA -0.361 4.165 4.527 -0.001 0.000 0.297 357 F C 2.468 178.125 175.800 -0.238 0.000 1.125 357 F CA 1.955 59.824 58.000 -0.218 0.000 1.202 357 F CB -0.626 38.139 39.000 -0.392 0.000 0.958 357 F HN -0.048 nan 8.300 nan 0.000 0.491 358 Y N 0.050 120.493 120.300 0.238 0.000 2.483 358 Y HA -0.132 4.417 4.550 -0.001 0.000 0.291 358 Y C 2.191 178.109 175.900 0.029 0.000 1.143 358 Y CA 1.263 59.432 58.100 0.115 0.000 1.289 358 Y CB -0.776 37.775 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 4.435 4.320 -0.001 0.000 0.192 359 K C 1.360 177.970 176.600 0.016 0.000 1.027 359 K CA 0.677 57.011 56.287 0.077 0.000 1.054 359 K CB -0.085 32.459 32.500 0.073 0.000 0.824 359 K HN 0.446 nan 8.250 nan 0.000 0.510 360 G N 0.868 109.632 108.800 -0.059 0.000 2.201 360 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.212 360 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.212 360 G C 0.039 174.870 174.900 -0.116 0.000 0.994 360 G CA -0.487 44.555 45.100 -0.097 0.000 0.644 360 G HN 0.123 nan 8.290 nan 0.000 0.508 361 I N 2.079 122.595 120.570 -0.090 0.000 2.329 361 I HA 0.390 4.559 4.170 -0.001 0.000 0.295 361 I C 0.605 176.657 176.117 -0.109 0.000 1.109 361 I CA 0.273 61.537 61.300 -0.060 0.000 1.297 361 I CB 0.024 38.024 38.000 -0.000 0.000 1.433 361 I HN 0.134 nan 8.210 nan 0.000 0.509 362 R N 7.641 128.065 120.500 -0.127 0.000 2.502 362 R HA 0.406 4.745 4.340 -0.001 0.000 0.300 362 R C -2.579 173.691 176.300 -0.050 0.000 0.984 362 R CA -1.640 54.383 56.100 -0.128 0.000 0.882 362 R CB 2.557 32.678 30.300 -0.299 0.000 1.180 362 R HN 0.307 nan 8.270 nan 0.000 0.444 363 P HA 0.012 nan 4.420 nan 0.000 0.271 363 P C -0.006 177.329 177.300 0.059 0.000 1.216 363 P CA -0.069 63.055 63.100 0.040 0.000 0.776 363 P CB 1.015 32.732 31.700 0.027 0.000 0.881 364 A N 4.322 127.219 122.820 0.130 0.000 2.176 364 A HA 0.026 4.345 4.320 -0.001 0.000 0.214 364 A C 1.044 178.685 177.584 0.095 0.000 1.327 364 A CA -0.115 52.000 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 1.233 121.847 120.570 0.073 0.000 2.662 365 I HA -0.066 4.103 4.170 -0.001 0.000 0.285 365 I C 0.621 176.789 176.117 0.085 0.000 1.161 365 I CA -0.082 61.264 61.300 0.076 0.000 1.415 365 I CB 0.184 38.217 38.000 0.055 0.000 1.385 365 I HN 0.296 nan 8.210 nan 0.000 0.552 366 N N 7.045 125.814 118.700 0.115 0.000 2.448 366 N HA 0.045 4.784 4.740 -0.001 0.000 0.250 366 N C 0.701 176.268 175.510 0.095 0.000 1.136 366 N CA 0.068 53.175 53.050 0.094 0.000 0.953 366 N CB 1.360 39.902 38.487 0.091 0.000 1.251 366 N HN 0.456 nan 8.380 nan 0.000 0.502 367 V N 3.873 123.828 119.914 0.069 0.000 2.407 367 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 367 V C 2.220 178.347 176.094 0.055 0.000 1.055 367 V CA 2.314 64.652 62.300 0.063 0.000 1.049 367 V CB -0.680 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 -0.624 108.196 108.800 0.033 0.000 2.418 368 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 368 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 368 G C 1.444 176.352 174.900 0.013 0.000 1.158 368 G CA 0.800 45.907 45.100 0.011 0.000 0.771 368 G HN 0.514 nan 8.290 nan 0.000 0.545 369 L N 0.910 122.137 121.223 0.008 0.000 2.567 369 L HA 0.225 4.564 4.340 -0.001 0.000 0.225 369 L C 1.104 178.113 176.870 0.232 0.000 1.119 369 L CA -0.297 54.530 54.840 -0.021 0.000 0.871 369 L CB 0.222 42.096 42.059 -0.307 0.000 1.036 369 L HN 0.001 nan 8.230 nan 0.000 0.459 370 S N -0.340 115.520 115.700 0.266 0.000 2.603 370 S HA 0.521 4.991 4.470 -0.001 0.000 0.268 370 S C -0.128 174.573 174.600 0.167 0.000 1.317 370 S CA -0.456 57.917 58.200 0.288 0.000 1.012 370 S CB 1.654 64.954 63.200 0.166 0.000 0.926 370 S HN -0.010 nan 8.310 nan 0.000 0.539 371 V N 0.280 120.262 119.914 0.114 0.000 3.147 371 V HA 0.748 4.867 4.120 -0.001 0.000 0.306 371 V C -0.610 175.504 176.094 0.033 0.000 1.209 371 V CA -0.883 61.461 62.300 0.074 0.000 1.023 371 V CB 2.020 33.896 31.823 0.088 0.000 1.059 371 V HN 0.706 nan 8.190 nan 0.000 0.435 372 S N 0.154 115.869 115.700 0.025 0.000 2.620 372 S HA 0.420 4.889 4.470 -0.001 0.000 0.244 372 S C 0.709 175.316 174.600 0.012 0.000 1.192 372 S CA -0.632 57.574 58.200 0.010 0.000 1.148 372 S CB 0.946 64.147 63.200 0.002 0.000 1.106 372 S HN 0.740 nan 8.310 nan 0.000 0.474 373 R N 2.043 122.550 120.500 0.013 0.000 2.091 373 R HA -0.089 4.250 4.340 -0.001 0.000 0.238 373 R C 1.834 178.139 176.300 0.009 0.000 1.136 373 R CA 1.858 57.967 56.100 0.014 0.000 0.959 373 R CB -0.517 29.793 30.300 0.016 0.000 0.856 373 R HN 0.560 nan 8.270 nan 0.000 0.437 374 V N 0.412 120.327 119.914 0.003 0.000 2.392 374 V HA -0.186 3.933 4.120 -0.001 0.000 0.249 374 V C 1.717 177.811 176.094 -0.001 0.000 1.059 374 V CA 1.650 63.950 62.300 -0.000 0.000 1.051 374 V CB -1.253 30.566 31.823 -0.007 0.000 0.658 374 V HN 0.764 nan 8.190 nan 0.000 0.455 375 G N 0.041 108.841 108.800 0.000 0.000 2.581 375 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.291 375 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.291 375 G C 0.955 175.853 174.900 -0.003 0.000 1.277 375 G CA 0.479 45.580 45.100 0.001 0.000 0.959 375 G HN 0.387 nan 8.290 nan 0.000 0.554 376 S N 0.641 116.340 115.700 -0.001 0.000 2.440 376 S HA 0.015 4.484 4.470 -0.001 0.000 0.238 376 S C 2.686 177.282 174.600 -0.007 0.000 1.010 376 S CA 1.843 60.041 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 0.478 123.294 122.820 -0.006 0.000 2.245 377 A HA 0.128 4.447 4.320 -0.001 0.000 0.217 377 A C 1.809 179.384 177.584 -0.016 0.000 1.171 377 A CA 1.519 53.551 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 -1.875 120.934 122.820 -0.019 0.000 2.508 378 A HA 0.346 4.665 4.320 -0.001 0.000 0.250 378 A C 0.726 178.291 177.584 -0.032 0.000 1.208 378 A CA -0.265 51.754 52.037 -0.030 0.000 0.960 378 A CB 0.200 19.181 19.000 -0.032 0.000 1.099 378 A HN 0.529 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 4.772 4.340 -0.001 0.000 0.238 379 Q C -0.332 175.658 176.000 -0.017 0.000 0.948 379 Q CA -0.270 55.523 55.803 -0.016 0.000 0.895 379 Q CB 1.052 29.787 28.738 -0.007 0.000 1.218 379 Q HN 0.436 nan 8.270 nan 0.000 0.470 380 T N -0.591 113.954 114.554 -0.014 0.000 2.874 380 T HA 0.192 4.542 4.350 -0.001 0.000 0.281 380 T C 0.846 175.543 174.700 -0.004 0.000 0.994 380 T CA -0.760 61.333 62.100 -0.013 0.000 1.015 380 T CB 1.193 70.055 68.868 -0.010 0.000 1.028 380 T HN 0.612 nan 8.240 nan 0.000 0.523 381 R N 0.320 120.818 120.500 -0.002 0.000 2.148 381 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 381 R C 2.367 178.673 176.300 0.010 0.000 1.103 381 R CA 1.130 57.232 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 0.947 123.772 122.820 0.009 0.000 1.858 382 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 382 A C 2.065 179.663 177.584 0.023 0.000 1.190 382 A CA 1.636 53.681 52.037 0.014 0.000 0.617 382 A CB -0.540 18.465 19.000 0.008 0.000 0.827 382 A HN 0.414 nan 8.150 nan 0.000 0.443 383 M N 0.148 119.759 119.600 0.018 0.000 2.067 383 M HA -0.118 4.361 4.480 -0.001 0.000 0.260 383 M C 1.864 178.177 176.300 0.022 0.000 1.069 383 M CA 2.008 57.321 55.300 0.022 0.000 1.117 383 M CB -0.552 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 -0.512 119.897 120.400 0.016 0.000 2.089 384 K HA -0.285 4.035 4.320 -0.001 0.000 0.210 384 K C 2.161 178.774 176.600 0.020 0.000 1.048 384 K CA 2.084 58.379 56.287 0.014 0.000 0.926 384 K CB -0.483 32.023 32.500 0.009 0.000 0.714 384 K HN 0.574 nan 8.250 nan 0.000 0.448 385 Q N 0.576 120.393 119.800 0.027 0.000 2.248 385 Q HA -0.188 4.152 4.340 -0.001 0.000 0.208 385 Q C 1.712 177.740 176.000 0.048 0.000 0.984 385 Q CA 1.804 57.630 55.803 0.038 0.000 0.875 385 Q CB 0.192 28.958 28.738 0.046 0.000 0.910 385 Q HN 0.341 nan 8.270 nan 0.000 0.433 386 V N -4.477 115.466 119.914 0.047 0.000 2.996 386 V HA 0.291 4.410 4.120 -0.001 0.000 0.235 386 V C 2.078 178.186 176.094 0.024 0.000 1.205 386 V CA 0.518 62.847 62.300 0.048 0.000 1.225 386 V CB -1.108 30.762 31.823 0.079 0.000 0.995 386 V HN 0.199 nan 8.190 nan 0.000 0.484 387 A N 2.007 124.840 122.820 0.023 0.000 1.915 387 A HA -0.198 4.121 4.320 -0.001 0.000 0.220 387 A C 2.340 179.929 177.584 0.008 0.000 1.198 387 A CA 2.964 55.009 52.037 0.014 0.000 0.647 387 A CB -1.612 17.396 19.000 0.014 0.000 0.825 387 A HN 0.778 nan 8.150 nan 0.000 0.456 388 G N -1.022 107.783 108.800 0.007 0.000 2.446 388 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 388 G C 1.703 176.601 174.900 -0.004 0.000 1.168 388 G CA 2.201 47.303 45.100 0.003 0.000 0.771 388 G HN 0.761 nan 8.290 nan 0.000 0.551 389 T N -1.684 112.864 114.554 -0.009 0.000 3.014 389 T HA 0.127 4.476 4.350 -0.001 0.000 0.263 389 T C 2.288 176.974 174.700 -0.025 0.000 1.078 389 T CA 1.012 63.099 62.100 -0.021 0.000 1.135 389 T CB -0.079 68.768 68.868 -0.034 0.000 0.895 389 T HN 0.195 nan 8.240 nan 0.000 0.480 390 M N 1.227 120.814 119.600 -0.021 0.000 2.067 390 M HA -0.071 4.409 4.480 -0.001 0.000 0.260 390 M C 2.548 178.842 176.300 -0.010 0.000 1.069 390 M CA 1.763 57.050 55.300 -0.022 0.000 1.117 390 M CB -0.282 32.309 32.600 -0.015 0.000 1.334 390 M HN 0.200 nan 8.290 nan 0.000 0.407 391 K N 0.166 120.565 120.400 -0.001 0.000 2.089 391 K HA -0.257 4.062 4.320 -0.001 0.000 0.210 391 K C 1.866 178.470 176.600 0.006 0.000 1.048 391 K CA 1.810 58.101 56.287 0.007 0.000 0.926 391 K CB -0.332 32.172 32.500 0.008 0.000 0.714 391 K HN 0.319 nan 8.250 nan 0.000 0.448 392 L N 1.725 122.947 121.223 -0.001 0.000 2.072 392 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 392 L C 1.977 178.846 176.870 -0.000 0.000 1.079 392 L CA 1.670 56.509 54.840 -0.002 0.000 0.752 392 L CB -0.222 41.833 42.059 -0.007 0.000 0.906 392 L HN 0.244 nan 8.230 nan 0.000 0.436 393 E N -0.764 119.430 120.200 -0.009 0.000 2.152 393 E HA -0.194 4.155 4.350 -0.001 0.000 0.192 393 E C 2.305 178.921 176.600 0.027 0.000 0.983 393 E CA 1.011 57.406 56.400 -0.008 0.000 0.818 393 E CB -0.317 29.358 29.700 -0.042 0.000 0.758 393 E HN 0.489 nan 8.360 nan 0.000 0.467 394 L N 1.148 122.388 121.223 0.028 0.000 1.994 394 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 394 L C 2.761 179.688 176.870 0.096 0.000 1.071 394 L CA 1.151 56.041 54.840 0.083 0.000 0.745 394 L CB -0.605 41.489 42.059 0.059 0.000 0.892 394 L HN 0.141 nan 8.230 nan 0.000 0.431 395 A N -0.523 122.323 122.820 0.044 0.000 1.948 395 A HA -0.301 4.018 4.320 -0.001 0.000 0.220 395 A C 2.172 179.763 177.584 0.012 0.000 1.177 395 A CA 1.929 53.977 52.037 0.019 0.000 0.636 395 A CB -0.554 18.450 19.000 0.007 0.000 0.815 395 A HN 0.541 nan 8.150 nan 0.000 0.449 396 Q N -2.284 117.532 119.800 0.027 0.000 2.079 396 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 396 Q C 2.071 178.098 176.000 0.046 0.000 0.974 396 Q CA 1.648 57.463 55.803 0.020 0.000 0.840 396 Q CB -0.350 28.399 28.738 0.019 0.000 0.898 396 Q HN 0.852 nan 8.270 nan 0.000 0.430 397 Y N 1.612 121.876 120.300 -0.060 0.000 2.114 397 Y HA -0.200 4.349 4.550 -0.001 0.000 0.284 397 Y C 2.096 177.942 175.900 -0.090 0.000 1.143 397 Y CA 1.558 59.617 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 0.335 120.761 120.500 -0.124 0.000 2.154 398 R HA -0.217 4.122 4.340 -0.001 0.000 0.248 398 R C 2.275 178.418 176.300 -0.262 0.000 1.155 398 R CA 1.889 57.836 56.100 -0.255 0.000 0.979 398 R CB -0.267 29.965 30.300 -0.113 0.000 0.869 398 R HN 0.549 nan 8.270 nan 0.000 0.452 399 E N -0.445 119.638 120.200 -0.195 0.000 2.072 399 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 399 E C 1.787 178.143 176.600 -0.407 0.000 0.985 399 E CA 1.406 57.669 56.400 -0.228 0.000 0.801 399 E CB 0.206 29.818 29.700 -0.147 0.000 0.750 399 E HN 0.166 nan 8.360 nan 0.000 0.452 400 V N 0.636 120.298 119.914 -0.420 0.000 2.992 400 V HA -0.017 4.103 4.120 -0.001 0.000 0.250 400 V C 2.144 177.911 176.094 -0.546 0.000 1.090 400 V CA 0.870 62.792 62.300 -0.629 0.000 1.101 400 V CB -0.063 31.600 31.823 -0.267 0.000 0.743 400 V HN 0.228 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 -0.410 3.910 4.320 -0.001 0.000 0.224 401 A C 2.435 179.891 177.584 -0.215 0.000 1.366 401 A CA 3.123 54.847 52.037 -0.522 0.000 0.692 401 A CB -1.238 17.281 19.000 -0.802 0.000 0.841 401 A HN 0.723 nan 8.150 nan 0.000 0.480 402 A N -1.736 120.959 122.820 -0.208 0.000 1.997 402 A HA -0.088 4.231 4.320 -0.001 0.000 0.221 402 A C 1.925 179.649 177.584 0.232 0.000 1.172 402 A CA 1.980 54.014 52.037 -0.005 0.000 0.645 402 A CB -0.760 18.230 19.000 -0.016 0.000 0.813 402 A HN 0.542 nan 8.150 nan 0.000 0.454 403 F N -0.052 119.909 119.950 0.018 0.000 2.146 403 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 403 F C 2.771 178.635 175.800 0.106 0.000 1.096 403 F CA -0.006 58.031 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 0.561 123.551 122.820 0.282 0.000 1.883 404 A HA -0.376 3.943 4.320 -0.001 0.000 0.226 404 A C 2.009 179.689 177.584 0.160 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 0.153 0.000 0.848 404 A HN 0.498 nan 8.150 nan 0.000 0.477 405 Q N -2.189 117.705 119.800 0.158 0.000 2.585 405 Q HA -0.064 4.275 4.340 -0.001 0.000 0.219 405 Q C 0.184 176.131 176.000 -0.089 0.000 0.984 405 Q CA 1.063 56.901 55.803 0.059 0.000 0.915 405 Q CB -0.205 28.594 28.738 0.103 0.000 0.967 405 Q HN 0.757 nan 8.270 nan 0.000 0.530 406 F N -2.821 117.158 119.950 0.047 0.000 3.022 406 F HA 0.243 4.769 4.527 -0.001 0.000 0.351 406 F C 1.150 176.949 175.800 -0.002 0.000 1.170 406 F CA -0.541 57.469 58.000 0.016 0.000 1.066 406 F CB 0.820 39.822 39.000 0.003 0.000 1.297 406 F HN -0.116 nan 8.300 nan 0.000 0.519 407 G N 0.344 109.234 108.800 0.149 0.000 2.991 407 G HA2 0.053 4.012 3.960 -0.001 0.000 0.262 407 G HA3 0.053 4.012 3.960 -0.001 0.000 0.262 407 G C 0.899 175.828 174.900 0.048 0.000 0.765 407 G CA 0.402 45.557 45.100 0.093 0.000 2.051 407 G HN 0.228 nan 8.290 nan 0.000 0.602 408 S N -0.143 115.582 115.700 0.041 0.000 2.528 408 S HA -0.056 4.414 4.470 -0.001 0.000 0.244 408 S C 0.747 175.354 174.600 0.012 0.000 0.982 408 S CA 1.084 59.296 58.200 0.020 0.000 0.953 408 S CB 0.102 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 -0.189 120.218 120.400 0.011 0.000 4.135 409 D HA 0.147 4.786 4.640 -0.001 0.000 0.227 409 D C -1.005 175.299 176.300 0.007 0.000 1.501 409 D CA -0.102 53.902 54.000 0.007 0.000 1.027 409 D CB -0.172 40.628 40.800 -0.000 0.000 1.320 409 D HN 0.097 nan 8.370 nan 0.000 0.855 410 L N 0.807 122.044 121.223 0.023 0.000 2.375 410 L HA 0.484 4.823 4.340 -0.001 0.000 0.271 410 L C 0.767 177.657 176.870 0.033 0.000 1.107 410 L CA -1.072 53.789 54.840 0.034 0.000 0.806 410 L CB 0.489 42.594 42.059 0.076 0.000 1.146 410 L HN 0.216 nan 8.230 nan 0.000 0.447 411 D N 1.077 121.497 120.400 0.033 0.000 2.390 411 D HA 0.113 4.752 4.640 -0.001 0.000 0.236 411 D C 0.839 177.157 176.300 0.031 0.000 1.189 411 D CA -0.011 54.005 54.000 0.027 0.000 0.887 411 D CB 0.969 41.786 40.800 0.027 0.000 1.198 411 D HN 0.610 nan 8.370 nan 0.000 0.444 412 A N 1.162 123.994 122.820 0.020 0.000 2.239 412 A HA 0.211 4.530 4.320 -0.001 0.000 0.209 412 A C 2.023 179.617 177.584 0.017 0.000 1.171 412 A CA 1.057 53.103 52.037 0.016 0.000 0.768 412 A CB -0.943 18.061 19.000 0.007 0.000 0.790 412 A HN 0.671 nan 8.150 nan 0.000 0.478 413 A N 0.137 122.970 122.820 0.022 0.000 1.841 413 A HA -0.080 4.239 4.320 -0.001 0.000 0.214 413 A C 2.483 180.086 177.584 0.030 0.000 1.195 413 A CA 2.325 54.374 52.037 0.020 0.000 0.611 413 A CB -1.342 17.671 19.000 0.022 0.000 0.835 413 A HN 0.743 nan 8.150 nan 0.000 0.443 414 T N -2.294 112.291 114.554 0.052 0.000 2.904 414 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 414 T C 1.919 176.665 174.700 0.077 0.000 1.059 414 T CA 1.534 63.678 62.100 0.075 0.000 1.137 414 T CB -0.425 68.516 68.868 0.122 0.000 0.879 414 T HN 0.534 nan 8.240 nan 0.000 0.467 415 Q N 0.262 120.102 119.800 0.065 0.000 2.291 415 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 415 Q C 2.402 178.422 176.000 0.032 0.000 0.976 415 Q CA 1.570 57.407 55.803 0.057 0.000 0.875 415 Q CB -0.154 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 -0.001 0.000 0.198 416 Q C 2.121 178.114 176.000 -0.011 0.000 0.974 416 Q CA 1.979 57.777 55.803 -0.007 0.000 0.829 416 Q CB -0.529 28.200 28.738 -0.016 0.000 0.894 416 Q HN 0.569 nan 8.270 nan 0.000 0.433 417 L N -0.989 120.242 121.223 0.014 0.000 2.187 417 L HA -0.098 4.242 4.340 -0.001 0.000 0.213 417 L C 2.302 179.204 176.870 0.052 0.000 1.100 417 L CA 1.041 55.896 54.840 0.025 0.000 0.765 417 L CB -0.905 41.185 42.059 0.051 0.000 0.904 417 L HN 0.135 nan 8.230 nan 0.000 0.437 418 L N -0.097 121.182 121.223 0.092 0.000 2.056 418 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 418 L C 2.823 179.661 176.870 -0.053 0.000 1.078 418 L CA 1.132 56.057 54.840 0.142 0.000 0.749 418 L CB -0.573 41.587 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 4.324 4.470 -0.001 0.000 0.221 419 S C 2.131 176.626 174.600 -0.175 0.000 1.033 419 S CA 0.932 59.071 58.200 -0.101 0.000 1.010 419 S CB -0.195 62.963 63.200 -0.071 0.000 0.891 419 S HN 0.242 nan 8.310 nan 0.000 0.442 420 R N 1.215 121.617 120.500 -0.163 0.000 2.103 420 R HA -0.055 4.284 4.340 -0.001 0.000 0.242 420 R C 2.395 178.508 176.300 -0.312 0.000 1.142 420 R CA 1.556 57.540 56.100 -0.193 0.000 0.960 420 R CB -1.592 28.621 30.300 -0.146 0.000 0.858 420 R HN 0.490 nan 8.270 nan 0.000 0.439 421 G N 0.195 108.703 108.800 -0.487 0.000 2.553 421 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 421 G C 1.474 175.738 174.900 -1.060 0.000 1.195 421 G CA 1.965 46.361 45.100 -1.172 0.000 0.779 421 G HN 0.356 nan 8.290 nan 0.000 0.577 422 V N -1.109 118.373 119.914 -0.720 0.000 2.515 422 V HA 0.037 4.157 4.120 -0.001 0.000 0.250 422 V C 2.680 178.646 176.094 -0.214 0.000 1.058 422 V CA 2.143 64.240 62.300 -0.337 0.000 1.064 422 V CB -0.559 31.174 31.823 -0.149 0.000 0.675 422 V HN 0.194 nan 8.190 nan 0.000 0.461 423 R N 0.393 120.763 120.500 -0.217 0.000 2.057 423 R HA 0.243 4.582 4.340 -0.001 0.000 0.229 423 R C 2.332 178.539 176.300 -0.154 0.000 1.136 423 R CA 1.759 57.760 56.100 -0.166 0.000 0.952 423 R CB -0.902 29.293 30.300 -0.175 0.000 0.848 423 R HN 0.490 nan 8.270 nan 0.000 0.430 424 L N -0.025 121.090 121.223 -0.180 0.000 2.043 424 L HA -0.255 4.084 4.340 -0.001 0.000 0.212 424 L C 2.071 178.884 176.870 -0.095 0.000 1.075 424 L CA 1.726 56.487 54.840 -0.131 0.000 0.752 424 L CB -0.775 41.205 42.059 -0.131 0.000 0.891 424 L HN 0.314 nan 8.230 nan 0.000 0.432 425 T N -1.088 113.397 114.554 -0.115 0.000 2.788 425 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 425 T C 1.740 176.420 174.700 -0.033 0.000 1.044 425 T CA 1.105 63.176 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 0.881 121.050 120.200 -0.051 0.000 2.268 426 E HA 0.052 4.401 4.350 -0.001 0.000 0.195 426 E C 2.121 178.708 176.600 -0.022 0.000 0.995 426 E CA 0.477 56.858 56.400 -0.031 0.000 0.836 426 E CB -0.191 29.486 29.700 -0.039 0.000 0.763 426 E HN 0.493 nan 8.360 nan 0.000 0.491 427 L N 0.056 121.260 121.223 -0.032 0.000 2.313 427 L HA -0.035 4.304 4.340 -0.001 0.000 0.214 427 L C 2.166 179.035 176.870 -0.000 0.000 1.119 427 L CA 0.351 55.183 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 -0.689 120.531 121.223 -0.005 0.000 2.478 428 L HA -0.023 4.316 4.340 -0.001 0.000 0.223 428 L C 1.115 177.987 176.870 0.003 0.000 1.140 428 L CA 0.329 55.171 54.840 0.003 0.000 0.842 428 L CB -0.330 41.734 42.059 0.007 0.000 0.953 428 L HN 0.104 nan 8.230 nan 0.000 0.452 429 K N 0.817 121.216 120.400 -0.002 0.000 2.336 429 K HA 0.208 4.528 4.320 -0.001 0.000 0.262 429 K C -0.125 176.472 176.600 -0.005 0.000 0.992 429 K CA 0.414 56.696 56.287 -0.009 0.000 0.927 429 K CB 0.457 32.950 32.500 -0.011 0.000 0.956 429 K HN 0.036 nan 8.250 nan 0.000 0.495 430 Q N -0.521 119.271 119.800 -0.015 0.000 2.503 430 Q HA 0.210 4.549 4.340 -0.001 0.000 0.268 430 Q C -0.927 175.061 176.000 -0.021 0.000 0.982 430 Q CA -0.539 55.258 55.803 -0.010 0.000 0.907 430 Q CB 1.966 30.698 28.738 -0.010 0.000 1.467 430 Q HN 0.850 nan 8.270 nan 0.000 0.394 431 G N 1.065 109.861 108.800 -0.008 0.000 2.562 431 G HA2 0.340 4.300 3.960 -0.001 0.000 0.275 431 G HA3 0.340 4.300 3.960 -0.001 0.000 0.275 431 G C -0.533 174.346 174.900 -0.035 0.000 1.196 431 G CA -0.064 45.035 45.100 -0.003 0.000 0.908 431 G HN 0.488 nan 8.290 nan 0.000 0.524 432 Q N -1.542 118.216 119.800 -0.069 0.000 2.256 432 Q HA 0.350 4.689 4.340 -0.001 0.000 0.232 432 Q C -0.338 175.543 176.000 -0.197 0.000 0.965 432 Q CA -0.484 55.138 55.803 -0.301 0.000 0.908 432 Q CB 0.518 28.934 28.738 -0.536 0.000 1.209 432 Q HN 0.565 nan 8.270 nan 0.000 0.489 433 Y N -1.396 118.910 120.300 0.009 0.000 4.538 433 Y HA -0.289 4.260 4.550 -0.001 0.000 0.225 433 Y C -0.178 175.723 175.900 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 36.009 38.460 -0.002 0.000 1.618 433 Y HN 0.403 nan 8.280 nan 0.000 0.642 434 S N -1.505 114.238 115.700 0.071 0.000 2.317 434 S HA 0.536 5.005 4.470 -0.001 0.000 0.144 434 S C -2.642 171.968 174.600 0.017 0.000 1.660 434 S CA -1.206 57.025 58.200 0.051 0.000 1.273 434 S CB 1.723 64.956 63.200 0.054 0.000 1.330 434 S HN 0.025 nan 8.310 nan 0.000 0.395 435 P HA 0.311 nan 4.420 nan 0.000 0.276 435 P C -0.056 177.242 177.300 -0.002 0.000 1.230 435 P CA -0.288 62.815 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 1.019 120.619 119.600 -0.000 0.000 2.528 436 M HA 0.713 5.192 4.480 -0.001 0.000 0.318 436 M C 0.006 176.301 176.300 -0.008 0.000 1.195 436 M CA -1.246 54.049 55.300 -0.009 0.000 1.000 436 M CB 1.428 34.026 32.600 -0.003 0.000 1.615 436 M HN 0.190 nan 8.290 nan 0.000 0.469 437 A N 1.602 124.405 122.820 -0.029 0.000 2.450 437 A HA 0.285 4.604 4.320 -0.001 0.000 0.255 437 A C 0.930 178.516 177.584 0.003 0.000 1.096 437 A CA -0.546 51.473 52.037 -0.029 0.000 0.778 437 A CB -0.061 18.900 19.000 -0.065 0.000 1.031 437 A HN 0.936 nan 8.150 nan 0.000 0.494 438 I N 1.898 122.489 120.570 0.034 0.000 2.290 438 I HA -0.295 3.874 4.170 -0.001 0.000 0.253 438 I C 1.888 178.014 176.117 0.016 0.000 1.112 438 I CA 2.214 63.534 61.300 0.033 0.000 1.377 438 I CB -0.197 37.831 38.000 0.047 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.428 439 E N -0.138 120.063 120.200 0.001 0.000 2.152 439 E HA -0.185 4.164 4.350 -0.001 0.000 0.192 439 E C 2.064 178.653 176.600 -0.018 0.000 0.983 439 E CA 1.261 57.653 56.400 -0.013 0.000 0.818 439 E CB -0.262 29.422 29.700 -0.028 0.000 0.758 439 E HN 0.571 nan 8.360 nan 0.000 0.467 440 E N 0.708 120.897 120.200 -0.019 0.000 2.107 440 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 440 E C 2.044 178.656 176.600 0.021 0.000 0.982 440 E CA 0.832 57.221 56.400 -0.019 0.000 0.809 440 E CB 0.046 29.727 29.700 -0.031 0.000 0.756 440 E HN 0.299 nan 8.360 nan 0.000 0.459 441 Q N 0.192 120.007 119.800 0.024 0.000 2.046 441 Q HA -0.146 4.193 4.340 -0.001 0.000 0.200 441 Q C 2.601 178.635 176.000 0.057 0.000 0.975 441 Q CA 1.831 57.657 55.803 0.039 0.000 0.836 441 Q CB -0.319 28.438 28.738 0.031 0.000 0.896 441 Q HN 0.339 nan 8.270 nan 0.000 0.428 442 V N -0.996 118.946 119.914 0.048 0.000 2.407 442 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 442 V C 2.158 178.311 176.094 0.098 0.000 1.055 442 V CA 1.789 64.129 62.300 0.067 0.000 1.049 442 V CB -1.021 30.831 31.823 0.047 0.000 0.662 442 V HN 0.295 nan 8.190 nan 0.000 0.455 443 A N 1.129 123.992 122.820 0.072 0.000 1.883 443 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 443 A C 2.561 180.298 177.584 0.256 0.000 1.186 443 A CA 3.001 55.106 52.037 0.114 0.000 0.624 443 A CB -1.110 17.932 19.000 0.070 0.000 0.822 443 A HN 1.279 nan 8.150 nan 0.000 0.444 444 V N -1.135 118.915 119.914 0.226 0.000 2.307 444 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 444 V C 2.137 178.311 176.094 0.132 0.000 1.045 444 V CA 1.820 64.248 62.300 0.213 0.000 1.024 444 V CB -0.817 31.117 31.823 0.185 0.000 0.651 444 V HN 0.433 nan 8.190 nan 0.000 0.449 445 I N 0.063 120.701 120.570 0.113 0.000 2.208 445 I HA -0.242 3.927 4.170 -0.001 0.000 0.245 445 I C 2.629 178.807 176.117 0.102 0.000 1.097 445 I CA 2.693 64.039 61.300 0.077 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 2.317 122.629 120.300 0.020 0.000 2.151 446 Y HA -0.311 4.238 4.550 -0.001 0.000 0.284 446 Y C 2.636 178.557 175.900 0.035 0.000 1.166 446 Y CA 1.986 60.104 58.100 0.030 0.000 1.163 446 Y CB -0.441 38.052 38.460 0.055 0.000 0.974 446 Y HN 0.135 nan 8.280 nan 0.000 0.511 447 A N 0.211 123.152 122.820 0.202 0.000 1.884 447 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 447 A C 2.479 180.017 177.584 -0.076 0.000 1.197 447 A CA 2.330 54.401 52.037 0.056 0.000 0.637 447 A CB -1.740 17.177 19.000 -0.139 0.000 0.827 447 A HN 0.637 nan 8.150 nan 0.000 0.450 448 G N -1.597 107.126 108.800 -0.129 0.000 2.411 448 G HA2 0.071 4.030 3.960 -0.001 0.000 0.213 448 G HA3 0.071 4.030 3.960 -0.001 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 0.881 120.697 119.914 -0.163 0.000 2.332 449 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 449 V C 2.925 178.864 176.094 -0.258 0.000 1.055 449 V CA 1.641 63.839 62.300 -0.170 0.000 1.038 449 V CB -0.288 31.469 31.823 -0.110 0.000 0.651 449 V HN 0.195 nan 8.190 nan 0.000 0.450 450 R N -0.428 119.842 120.500 -0.384 0.000 2.280 450 R HA 0.057 4.396 4.340 -0.001 0.000 0.207 450 R C 1.802 177.744 176.300 -0.595 0.000 1.043 450 R CA 0.905 56.678 56.100 -0.544 0.000 1.006 450 R CB -0.589 29.226 30.300 -0.808 0.000 0.885 450 R HN 0.679 nan 8.270 nan 0.000 0.467 451 G N -0.770 107.747 108.800 -0.472 0.000 2.201 451 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.212 451 G C 0.644 175.299 174.900 -0.409 0.000 0.994 451 G CA 0.132 44.982 45.100 -0.416 0.000 0.644 451 G HN 0.280 nan 8.290 nan 0.000 0.508 452 Y N 0.856 121.026 120.300 -0.217 0.000 2.241 452 Y HA 0.043 4.592 4.550 -0.001 0.000 0.286 452 Y C 2.711 178.444 175.900 -0.277 0.000 1.166 452 Y CA 1.800 59.773 58.100 -0.211 0.000 1.203 452 Y CB -0.317 38.023 38.460 -0.202 0.000 0.977 452 Y HN 0.409 nan 8.280 nan 0.000 0.529 453 L N -0.683 120.404 121.223 -0.227 0.000 2.611 453 L HA 0.087 4.426 4.340 -0.001 0.000 0.229 453 L C 0.931 177.677 176.870 -0.206 0.000 1.137 453 L CA 0.016 54.663 54.840 -0.322 0.000 0.901 453 L CB -0.253 41.533 42.059 -0.455 0.000 1.098 453 L HN 0.008 nan 8.230 nan 0.000 0.456 454 D N 1.543 121.842 120.400 -0.167 0.000 2.182 454 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 454 D C 1.733 177.978 176.300 -0.092 0.000 0.986 454 D CA 1.345 55.265 54.000 -0.133 0.000 0.847 454 D CB 0.084 40.804 40.800 -0.133 0.000 0.942 454 D HN 0.314 nan 8.370 nan 0.000 0.467 455 K N -0.539 119.818 120.400 -0.072 0.000 2.374 455 K HA 0.141 4.461 4.320 -0.001 0.000 0.196 455 K C 0.359 176.947 176.600 -0.021 0.000 1.023 455 K CA -0.388 55.878 56.287 -0.035 0.000 1.103 455 K CB 0.567 33.059 32.500 -0.013 0.000 0.848 455 K HN 0.003 nan 8.250 nan 0.000 0.528 456 L N 1.524 122.716 121.223 -0.051 0.000 2.453 456 L HA 0.115 4.455 4.340 -0.001 0.000 0.261 456 L C 0.042 176.903 176.870 -0.015 0.000 1.179 456 L CA 0.072 54.896 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 3.941 124.161 120.200 0.035 0.000 2.259 457 E HA 0.132 4.481 4.350 -0.001 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 1.345 31.082 29.700 0.062 0.000 1.051 457 E HN 0.471 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 1.828 64.922 63.100 -0.011 0.000 0.887 458 P CB 0.072 31.766 31.700 -0.011 0.000 0.792 459 S N -1.476 114.244 115.700 0.035 0.000 2.465 459 S HA -0.160 4.309 4.470 -0.001 0.000 0.241 459 S C 1.569 176.221 174.600 0.087 0.000 1.000 459 S CA 1.371 59.602 58.200 0.053 0.000 0.964 459 S CB -0.741 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 0.641 121.110 120.400 0.114 0.000 2.354 460 K HA 0.430 4.749 4.320 -0.001 0.000 0.194 460 K C 1.731 178.428 176.600 0.162 0.000 1.045 460 K CA 0.148 56.556 56.287 0.201 0.000 1.026 460 K CB -0.206 32.500 32.500 0.343 0.000 0.866 460 K HN 0.289 nan 8.250 nan 0.000 0.530 461 I N 1.286 121.894 120.570 0.063 0.000 2.185 461 I HA -0.324 3.846 4.170 -0.001 0.000 0.246 461 I C 1.365 177.540 176.117 0.096 0.000 1.088 461 I CA 1.683 62.996 61.300 0.023 0.000 1.347 461 I CB -1.508 36.463 38.000 -0.048 0.000 1.041 461 I HN 0.158 nan 8.210 nan 0.000 0.415 462 T N 0.616 115.222 114.554 0.087 0.000 2.788 462 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 462 T C 1.987 176.759 174.700 0.121 0.000 1.044 462 T CA 1.357 63.510 62.100 0.088 0.000 1.139 462 T CB -0.141 68.767 68.868 0.067 0.000 0.867 462 T HN 0.348 nan 8.240 nan 0.000 0.454 463 K N -0.023 120.476 120.400 0.166 0.000 2.116 463 K HA -0.010 4.309 4.320 -0.001 0.000 0.203 463 K C 2.080 178.788 176.600 0.181 0.000 1.052 463 K CA 0.661 57.079 56.287 0.218 0.000 0.952 463 K CB -0.240 32.464 32.500 0.339 0.000 0.729 463 K HN 0.328 nan 8.250 nan 0.000 0.446 464 F N 2.540 122.422 119.950 -0.113 0.000 2.026 464 F HA -0.233 4.293 4.527 -0.001 0.000 0.296 464 F C 2.372 178.095 175.800 -0.127 0.000 1.133 464 F CA 2.144 59.895 58.000 -0.416 0.000 1.188 464 F CB -0.496 38.196 39.000 -0.514 0.000 0.968 464 F HN 0.139 nan 8.300 nan 0.000 0.476 465 E N 0.270 120.604 120.200 0.223 0.000 2.065 465 E HA -0.358 3.992 4.350 -0.001 0.000 0.201 465 E C 2.225 178.851 176.600 0.044 0.000 1.016 465 E CA 1.613 58.120 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 0.224 118.953 118.700 0.048 0.000 2.037 466 N HA -0.221 4.518 4.740 -0.001 0.000 0.196 466 N C 1.709 177.227 175.510 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 0.284 nan 8.380 nan 0.000 0.427 467 A N -0.172 122.669 122.820 0.035 0.000 1.897 467 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 467 A C 2.160 179.725 177.584 -0.032 0.000 1.181 467 A CA 0.840 52.944 52.037 0.111 0.000 0.620 467 A CB -0.925 18.259 19.000 0.306 0.000 0.821 467 A HN 0.429 nan 8.150 nan 0.000 0.443 468 F N 0.202 119.788 119.950 -0.607 0.000 2.134 468 F HA -0.129 4.398 4.527 -0.001 0.000 0.299 468 F C 1.729 177.209 175.800 -0.534 0.000 1.097 468 F CA 1.724 59.000 58.000 -1.207 0.000 1.264 468 F CB -0.282 37.831 39.000 -1.479 0.000 1.001 468 F HN 0.179 nan 8.300 nan 0.000 0.479 469 L N -0.181 120.809 121.223 -0.389 0.000 2.217 469 L HA -0.075 4.264 4.340 -0.001 0.000 0.211 469 L C 2.326 179.040 176.870 -0.261 0.000 1.107 469 L CA 1.573 56.206 54.840 -0.345 0.000 0.783 469 L CB -0.911 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 -1.620 113.988 115.700 -0.153 0.000 2.387 470 S HA -0.208 4.261 4.470 -0.001 0.000 0.226 470 S C 1.875 176.451 174.600 -0.040 0.000 1.026 470 S CA 1.174 59.339 58.200 -0.059 0.000 0.972 470 S CB -0.457 62.755 63.200 0.019 0.000 0.814 470 S HN 0.661 nan 8.310 nan 0.000 0.477 471 H N 2.052 121.022 119.070 -0.167 0.000 2.293 471 H HA -0.045 4.510 4.556 -0.001 0.000 0.300 471 H C 2.161 177.400 175.328 -0.148 0.000 1.082 471 H CA 2.075 58.063 56.048 -0.100 0.000 1.308 471 H CB -0.699 29.062 29.762 -0.002 0.000 1.375 471 H HN 0.217 nan 8.280 nan 0.000 0.495 472 V N -0.827 118.739 119.914 -0.579 0.000 2.809 472 V HA -0.047 4.072 4.120 -0.001 0.000 0.256 472 V C 2.303 178.232 176.094 -0.275 0.000 1.080 472 V CA 1.766 63.769 62.300 -0.495 0.000 1.102 472 V CB -0.762 30.669 31.823 -0.652 0.000 0.705 472 V HN 0.435 nan 8.190 nan 0.000 0.475 473 I N 0.863 121.293 120.570 -0.234 0.000 2.761 473 I HA -0.093 4.076 4.170 -0.001 0.000 0.261 473 I C 2.617 178.664 176.117 -0.117 0.000 1.198 473 I CA 1.386 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 0.069 115.698 115.700 -0.117 0.000 2.324 474 S HA -0.086 4.383 4.470 -0.001 0.000 0.210 474 S C 1.917 176.449 174.600 -0.113 0.000 1.027 474 S CA 0.511 58.665 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 -0.003 119.696 119.800 -0.168 0.000 2.096 475 Q HA 0.017 4.356 4.340 -0.001 0.000 0.197 475 Q C 0.644 176.375 176.000 -0.448 0.000 0.964 475 Q CA 1.133 56.769 55.803 -0.278 0.000 0.838 475 Q CB -0.322 28.233 28.738 -0.305 0.000 0.906 475 Q HN 0.746 nan 8.270 nan 0.000 0.444 476 H N 0.611 119.513 119.070 -0.280 0.000 2.591 476 H HA 0.170 4.725 4.556 -0.001 0.000 0.302 476 H C 0.811 176.036 175.328 -0.173 0.000 1.163 476 H CA -0.105 55.811 56.048 -0.221 0.000 1.049 476 H CB 0.235 29.830 29.762 -0.278 0.000 1.543 476 H HN 0.142 nan 8.280 nan 0.000 0.523 477 Q N 0.085 119.833 119.800 -0.087 0.000 2.541 477 Q HA 0.003 4.343 4.340 -0.001 0.000 0.215 477 Q C 1.610 177.577 176.000 -0.056 0.000 0.977 477 Q CA 0.659 56.419 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 0.094 122.886 122.820 -0.048 0.000 2.044 478 A HA 0.035 4.355 4.320 -0.001 0.000 0.213 478 A C 1.812 179.383 177.584 -0.022 0.000 1.169 478 A CA 0.017 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 4.358 4.340 -0.001 0.000 0.203 479 L C 2.212 179.055 176.870 -0.046 0.000 1.080 479 L CA 0.949 55.777 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 0.044 121.235 121.223 -0.053 0.000 2.083 480 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 480 L C 3.029 179.871 176.870 -0.046 0.000 1.083 480 L CA 1.386 56.189 54.840 -0.061 0.000 0.752 480 L CB -1.026 40.989 42.059 -0.074 0.000 0.899 480 L HN 0.396 nan 8.230 nan 0.000 0.433 481 S N 0.124 115.799 115.700 -0.041 0.000 2.399 481 S HA -0.191 4.278 4.470 -0.001 0.000 0.231 481 S C 2.108 176.692 174.600 -0.027 0.000 1.022 481 S CA 1.380 59.560 58.200 -0.034 0.000 0.983 481 S CB -0.183 nan 63.200 nan 0.000 0.803 481 S HN 0.313 nan 8.310 nan 0.000 0.480 482 K N 0.344 120.727 120.400 -0.028 0.000 1.967 482 K HA 0.074 4.393 4.320 -0.001 0.000 0.212 482 K C 1.882 178.467 176.600 -0.025 0.000 1.044 482 K CA 1.259 57.532 56.287 -0.024 0.000 0.942 482 K CB -0.450 32.035 32.500 -0.025 0.000 0.726 482 K HN 0.405 nan 8.250 nan 0.000 0.440 483 I N 1.173 121.722 120.570 -0.034 0.000 2.121 483 I HA -0.436 3.734 4.170 -0.001 0.000 0.243 483 I C 2.763 178.868 176.117 -0.021 0.000 1.047 483 I CA 1.481 62.761 61.300 -0.034 0.000 1.308 483 I CB -0.304 37.666 38.000 -0.049 0.000 1.015 483 I HN 0.282 nan 8.210 nan 0.000 0.410 484 R N 0.248 120.736 120.500 -0.021 0.000 2.127 484 R HA -0.201 4.139 4.340 -0.001 0.000 0.228 484 R C 2.303 178.598 176.300 -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 1.248 115.796 114.554 -0.010 0.000 2.516 485 T HA -0.186 4.163 4.350 -0.001 0.000 0.261 485 T C 1.302 175.998 174.700 -0.007 0.000 1.130 485 T CA 2.134 64.229 62.100 -0.008 0.000 1.193 485 T CB -0.697 68.165 68.868 -0.010 0.000 0.864 485 T HN 0.399 nan 8.240 nan 0.000 0.410 486 D N 0.338 120.733 120.400 -0.009 0.000 2.357 486 D HA 0.018 4.657 4.640 -0.001 0.000 0.216 486 D C 1.629 177.926 176.300 -0.005 0.000 0.973 486 D CA 1.149 55.145 54.000 -0.007 0.000 0.912 486 D CB -0.804 39.991 40.800 -0.008 0.000 0.900 486 D HN 0.609 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 -0.001 0.000 0.269 487 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.269 487 G C 0.475 175.374 174.900 -0.002 0.000 0.977 487 G CA 1.490 46.587 45.100 -0.004 0.000 0.652 487 G HN 0.629 nan 8.290 nan 0.000 0.539 488 K N -1.763 118.635 120.400 -0.003 0.000 2.305 488 K HA 0.786 5.106 4.320 -0.001 0.000 0.268 488 K C -1.056 175.541 176.600 -0.004 0.000 1.034 488 K CA -1.369 54.919 56.287 0.002 0.000 0.879 488 K CB 0.866 33.370 32.500 0.007 0.000 1.506 488 K HN 0.074 nan 8.250 nan 0.000 0.425 489 I N 2.814 123.387 120.570 0.004 0.000 2.310 489 I HA 0.133 4.302 4.170 -0.001 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 1.285 39.280 38.000 -0.008 0.000 1.415 489 I HN 0.709 nan 8.210 nan 0.000 0.480 490 S N 3.502 119.199 115.700 -0.005 0.000 2.580 490 S HA 0.045 4.514 4.470 -0.001 0.000 0.266 490 S C 1.221 175.830 174.600 0.014 0.000 1.354 490 S CA -0.400 57.802 58.200 0.005 0.000 1.008 490 S CB 0.839 64.039 63.200 -0.000 0.000 0.898 490 S HN 0.713 nan 8.310 nan 0.000 0.555 491 E N 0.573 120.786 120.200 0.021 0.000 2.160 491 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 491 E C 1.707 178.324 176.600 0.029 0.000 0.991 491 E CA 1.279 57.699 56.400 0.032 0.000 0.810 491 E CB -0.018 29.698 29.700 0.028 0.000 0.742 491 E HN 0.797 nan 8.360 nan 0.000 0.466 492 E N -0.102 120.108 120.200 0.016 0.000 1.999 492 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 492 E C 2.166 178.767 176.600 0.001 0.000 0.995 492 E CA 1.069 57.477 56.400 0.012 0.000 0.825 492 E CB -0.093 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 1.298 116.989 115.700 -0.016 0.000 2.423 493 S HA -0.216 4.254 4.470 -0.001 0.000 0.238 493 S C 1.531 176.084 174.600 -0.077 0.000 1.028 493 S CA 1.185 59.356 58.200 -0.048 0.000 1.000 493 S CB -0.350 62.815 63.200 -0.060 0.000 0.797 493 S HN 0.311 nan 8.310 nan 0.000 0.487 494 D N 1.309 121.690 120.400 -0.033 0.000 2.097 494 D HA -0.079 4.560 4.640 -0.001 0.000 0.195 494 D C 2.121 178.454 176.300 0.055 0.000 0.989 494 D CA 1.306 55.309 54.000 0.004 0.000 0.827 494 D CB -0.158 40.700 40.800 0.096 0.000 0.966 494 D HN 0.390 nan 8.370 nan 0.000 0.456 495 A N 0.882 123.735 122.820 0.055 0.000 1.933 495 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 495 A C 2.173 179.780 177.584 0.038 0.000 1.175 495 A CA 1.834 53.910 52.037 0.065 0.000 0.628 495 A CB -0.462 18.568 19.000 0.051 0.000 0.814 495 A HN 0.239 nan 8.150 nan 0.000 0.444 496 K N -0.482 119.921 120.400 0.005 0.000 2.097 496 K HA 0.007 4.326 4.320 -0.001 0.000 0.205 496 K C 1.811 178.381 176.600 -0.051 0.000 1.050 496 K CA 1.130 57.411 56.287 -0.010 0.000 0.938 496 K CB -0.290 32.201 32.500 -0.014 0.000 0.718 496 K HN 0.416 nan 8.250 nan 0.000 0.442 497 L N 1.113 122.280 121.223 -0.093 0.000 2.056 497 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 497 L C 2.585 179.445 176.870 -0.017 0.000 1.078 497 L CA 1.432 56.194 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 0.084 120.526 120.400 0.071 0.000 2.020 498 K HA -0.293 4.026 4.320 -0.001 0.000 0.212 498 K C 1.999 178.561 176.600 -0.063 0.000 1.050 498 K CA 2.089 58.404 56.287 0.048 0.000 0.929 498 K CB -0.012 32.590 32.500 0.169 0.000 0.714 498 K HN 0.117 nan 8.250 nan 0.000 0.443 499 E N 0.702 120.903 120.200 0.003 0.000 2.051 499 E HA -0.132 4.217 4.350 -0.001 0.000 0.192 499 E C 1.921 178.543 176.600 0.035 0.000 0.991 499 E CA 1.486 57.899 56.400 0.021 0.000 0.799 499 E CB -0.140 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 3.884 4.170 -0.001 0.000 0.246 500 I C 2.334 178.561 176.117 0.183 0.000 1.093 500 I CA 1.404 62.738 61.300 0.058 0.000 1.355 500 I CB -0.425 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 -1.825 118.120 119.914 0.053 0.000 2.649 501 V HA -0.095 4.025 4.120 -0.001 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 -1.155 30.473 31.823 -0.325 0.000 0.699 501 V HN 0.545 nan 8.190 nan 0.000 0.463 502 T N -2.466 112.021 114.554 -0.111 0.000 3.055 502 T HA -0.005 4.344 4.350 -0.001 0.000 0.265 502 T C 1.655 176.404 174.700 0.082 0.000 1.111 502 T CA 1.295 63.380 62.100 -0.025 0.000 1.118 502 T CB -0.533 68.316 68.868 -0.030 0.000 0.909 502 T HN 0.501 nan 8.240 nan 0.000 0.501 503 N N -0.040 118.732 118.700 0.120 0.000 2.432 503 N HA 0.199 4.938 4.740 -0.001 0.000 0.174 503 N C 1.198 176.800 175.510 0.152 0.000 1.037 503 N CA 0.288 53.412 53.050 0.122 0.000 0.892 503 N CB -0.249 38.306 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 4.587 4.527 -0.001 0.000 0.298 504 F C 2.156 178.059 175.800 0.171 0.000 1.096 504 F CA 0.807 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 -0.096 nan 8.300 nan 0.000 0.480 505 L N -0.355 121.150 121.223 0.469 0.000 2.017 505 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 505 L C 2.741 179.782 176.870 0.284 0.000 1.073 505 L CA 1.311 56.421 54.840 0.449 0.000 0.745 505 L CB -0.926 41.325 42.059 0.321 0.000 0.894 505 L HN 0.259 nan 8.230 nan 0.000 0.432 506 A N -0.028 122.894 122.820 0.169 0.000 1.865 506 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 506 A C 2.332 179.946 177.584 0.050 0.000 1.191 506 A CA 1.924 54.019 52.037 0.097 0.000 0.623 506 A CB -1.440 17.599 19.000 0.066 0.000 0.826 506 A HN 0.489 nan 8.150 nan 0.000 0.444 507 G N -1.281 107.515 108.800 -0.006 0.000 2.514 507 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.217 507 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.217 507 G C 1.462 176.315 174.900 -0.079 0.000 1.198 507 G CA 1.235 46.269 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 -0.096 4.430 4.527 -0.001 0.000 0.300 508 F C 2.135 177.941 175.800 0.009 0.000 1.092 508 F CA 1.810 59.770 58.000 -0.067 0.000 1.245 508 F CB 0.120 39.201 39.000 0.134 0.000 0.995 508 F HN 0.204 nan 8.300 nan 0.000 0.481 509 E N 0.266 120.518 120.200 0.086 0.000 2.411 509 E HA 0.342 4.691 4.350 -0.001 0.000 0.228 509 E C 0.042 176.620 176.600 -0.037 0.000 1.169 509 E CA -0.285 56.117 56.400 0.003 0.000 1.421 509 E CB 0.036 29.805 29.700 0.115 0.000 1.333 509 E HN 0.312 nan 8.360 nan 0.000 0.434 510 A N 0.000 122.769 122.820 -0.085 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 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