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 2oov_1_D DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.300 177.300 0.000 0.000 1.155 18 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 18 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 19 A N 2.059 124.879 122.820 -0.000 0.000 2.520 19 A HA 0.365 4.688 4.320 0.006 0.000 0.235 19 A C 0.492 178.081 177.584 0.007 0.000 1.065 19 A CA 0.033 52.073 52.037 0.005 0.000 0.764 19 A CB -0.006 18.997 19.000 0.006 0.000 1.002 19 A HN 0.505 nan 8.150 nan 0.000 0.502 20 R N 1.800 122.305 120.500 0.009 0.000 2.594 20 R HA 0.356 4.699 4.340 0.006 0.000 0.272 20 R C -1.874 174.438 176.300 0.021 0.000 1.074 20 R CA -0.957 55.148 56.100 0.008 0.000 1.105 20 R CB 0.116 30.416 30.300 0.000 0.000 1.008 20 R HN 0.673 nan 8.270 nan 0.000 0.472 21 P HA 0.071 nan 4.420 nan 0.000 0.277 21 P C -0.307 177.038 177.300 0.075 0.000 1.271 21 P CA -0.288 62.847 63.100 0.058 0.000 0.795 21 P CB 0.785 32.530 31.700 0.075 0.000 1.101 22 A N -0.418 122.473 122.820 0.118 0.000 2.015 22 A HA -0.098 4.225 4.320 0.006 0.000 0.219 22 A C 1.075 178.788 177.584 0.215 0.000 1.163 22 A CA 1.385 53.514 52.037 0.154 0.000 0.646 22 A CB -0.758 18.342 19.000 0.165 0.000 0.806 22 A HN 0.721 nan 8.150 nan 0.000 0.448 23 H N -2.387 116.730 119.070 0.078 0.000 3.029 23 H HA 0.292 4.851 4.556 0.006 0.000 0.358 23 H C -2.781 172.498 175.328 -0.082 0.000 1.129 23 H CA -1.386 54.700 56.048 0.065 0.000 1.230 23 H CB 1.965 31.858 29.762 0.218 0.000 1.827 23 H HN -0.100 nan 8.280 nan 0.000 0.530 24 P HA -0.027 nan 4.420 nan 0.000 0.221 24 P C 1.235 178.531 177.300 -0.007 0.000 1.145 24 P CA 0.941 63.897 63.100 -0.239 0.000 0.795 24 P CB 0.340 31.745 31.700 -0.492 0.000 0.775 25 L N -1.834 119.487 121.223 0.163 0.000 2.607 25 L HA 0.135 4.479 4.340 0.006 0.000 0.228 25 L C 0.244 177.070 176.870 -0.073 0.000 1.123 25 L CA -0.177 54.557 54.840 -0.176 0.000 0.890 25 L CB -0.514 41.151 42.059 -0.656 0.000 1.103 25 L HN -0.140 nan 8.230 nan 0.000 0.468 26 D N 1.930 122.429 120.400 0.164 0.000 2.455 26 D HA 0.103 4.746 4.640 0.006 0.000 0.241 26 D C -2.011 174.398 176.300 0.181 0.000 1.138 26 D CA -0.990 53.170 54.000 0.265 0.000 0.877 26 D CB 0.608 41.545 40.800 0.229 0.000 1.187 26 D HN -0.060 nan 8.370 nan 0.000 0.451 27 P HA 0.007 nan 4.420 nan 0.000 0.269 27 P C 0.082 177.479 177.300 0.161 0.000 1.217 27 P CA -0.245 62.970 63.100 0.192 0.000 0.783 27 P CB 0.510 32.349 31.700 0.231 0.000 0.898 28 L N 0.722 122.038 121.223 0.155 0.000 2.540 28 L HA 0.031 4.375 4.340 0.006 0.000 0.276 28 L C 1.279 178.201 176.870 0.086 0.000 1.212 28 L CA 0.091 54.998 54.840 0.111 0.000 0.893 28 L CB -0.231 41.895 42.059 0.112 0.000 1.138 28 L HN 0.505 nan 8.230 nan 0.000 0.491 29 S N 0.297 116.010 115.700 0.022 0.000 2.600 29 S HA 0.079 4.553 4.470 0.006 0.000 0.265 29 S C 1.357 175.870 174.600 -0.144 0.000 1.325 29 S CA -0.196 57.955 58.200 -0.081 0.000 1.002 29 S CB 1.267 64.428 63.200 -0.064 0.000 0.921 29 S HN 0.787 nan 8.310 nan 0.000 0.554 30 T N -0.900 113.470 114.554 -0.307 0.000 2.720 30 T HA -0.153 4.201 4.350 0.006 0.000 0.268 30 T C 1.979 176.609 174.700 -0.116 0.000 1.037 30 T CA 1.289 63.255 62.100 -0.222 0.000 1.144 30 T CB -1.184 67.525 68.868 -0.265 0.000 0.864 30 T HN 0.925 nan 8.240 nan 0.000 0.444 31 A N 1.801 124.561 122.820 -0.100 0.000 1.933 31 A HA -0.091 4.233 4.320 0.006 0.000 0.218 31 A C 2.333 179.890 177.584 -0.044 0.000 1.175 31 A CA 1.667 53.667 52.037 -0.062 0.000 0.628 31 A CB -0.697 18.274 19.000 -0.048 0.000 0.814 31 A HN 0.683 nan 8.150 nan 0.000 0.444 32 E N -0.427 119.752 120.200 -0.035 0.000 2.072 32 E HA -0.120 4.233 4.350 0.006 0.000 0.191 32 E C 1.872 178.465 176.600 -0.012 0.000 0.985 32 E CA 1.061 57.454 56.400 -0.011 0.000 0.801 32 E CB -0.258 29.448 29.700 0.010 0.000 0.750 32 E HN 0.697 nan 8.360 nan 0.000 0.452 33 I N 1.067 121.626 120.570 -0.019 0.000 2.179 33 I HA -0.284 3.889 4.170 0.006 0.000 0.242 33 I C 2.463 178.530 176.117 -0.083 0.000 1.088 33 I CA 1.064 62.348 61.300 -0.026 0.000 1.357 33 I CB -0.112 37.886 38.000 -0.005 0.000 1.051 33 I HN -0.022 nan 8.210 nan 0.000 0.409 34 K N 1.427 121.778 120.400 -0.083 0.000 2.097 34 K HA -0.090 4.234 4.320 0.006 0.000 0.205 34 K C 2.025 178.573 176.600 -0.087 0.000 1.050 34 K CA 1.581 57.807 56.287 -0.101 0.000 0.938 34 K CB -0.373 32.081 32.500 -0.076 0.000 0.718 34 K HN 0.280 nan 8.250 nan 0.000 0.442 35 A N 0.518 123.306 122.820 -0.054 0.000 1.902 35 A HA -0.079 4.245 4.320 0.006 0.000 0.217 35 A C 2.368 179.931 177.584 -0.034 0.000 1.181 35 A CA 2.062 54.078 52.037 -0.034 0.000 0.623 35 A CB -1.066 17.924 19.000 -0.017 0.000 0.818 35 A HN 0.413 nan 8.150 nan 0.000 0.443 36 A N -0.281 122.517 122.820 -0.037 0.000 1.877 36 A HA -0.110 4.213 4.320 0.006 0.000 0.216 36 A C 2.482 180.021 177.584 -0.076 0.000 1.186 36 A CA 2.648 54.670 52.037 -0.025 0.000 0.620 36 A CB -1.423 17.584 19.000 0.012 0.000 0.822 36 A HN 0.788 nan 8.150 nan 0.000 0.443 37 T N -2.101 112.333 114.554 -0.200 0.000 2.857 37 T HA -0.130 4.223 4.350 0.006 0.000 0.266 37 T C 1.677 176.307 174.700 -0.116 0.000 1.048 37 T CA 1.361 63.218 62.100 -0.404 0.000 1.139 37 T CB -0.556 67.740 68.868 -0.952 0.000 0.874 37 T HN 0.354 nan 8.240 nan 0.000 0.455 38 N N 1.509 120.160 118.700 -0.081 0.000 2.069 38 N HA -0.077 4.667 4.740 0.006 0.000 0.191 38 N C 2.096 177.626 175.510 0.033 0.000 1.031 38 N CA 1.935 54.980 53.050 -0.009 0.000 0.852 38 N CB -1.114 37.362 38.487 -0.017 0.000 1.018 38 N HN 0.497 nan 8.380 nan 0.000 0.423 39 T N 0.892 115.456 114.554 0.017 0.000 2.746 39 T HA -0.057 4.297 4.350 0.006 0.000 0.267 39 T C 2.137 176.868 174.700 0.052 0.000 1.039 39 T CA 0.959 63.075 62.100 0.027 0.000 1.142 39 T CB -0.321 68.551 68.868 0.007 0.000 0.866 39 T HN -0.015 nan 8.240 nan 0.000 0.444 40 V N 1.476 121.417 119.914 0.046 0.000 2.307 40 V HA -0.147 3.977 4.120 0.006 0.000 0.245 40 V C 2.483 178.744 176.094 0.279 0.000 1.045 40 V CA 1.476 63.819 62.300 0.071 0.000 1.024 40 V CB -0.468 31.309 31.823 -0.077 0.000 0.651 40 V HN 0.460 nan 8.190 nan 0.000 0.449 41 K N 0.152 120.727 120.400 0.290 0.000 2.074 41 K HA -0.182 4.141 4.320 0.006 0.000 0.209 41 K C 2.393 179.098 176.600 0.175 0.000 1.048 41 K CA 1.863 58.300 56.287 0.249 0.000 0.926 41 K CB -0.356 32.273 32.500 0.215 0.000 0.713 41 K HN 0.394 nan 8.250 nan 0.000 0.444 42 S N 0.355 116.131 115.700 0.127 0.000 2.368 42 S HA -0.147 4.327 4.470 0.006 0.000 0.224 42 S C 1.724 176.354 174.600 0.049 0.000 1.029 42 S CA 0.868 59.113 58.200 0.075 0.000 0.988 42 S CB -0.337 62.897 63.200 0.056 0.000 0.838 42 S HN 0.334 nan 8.310 nan 0.000 0.462 43 Y N 1.120 121.366 120.300 -0.090 0.000 2.224 43 Y HA -0.049 4.504 4.550 0.006 0.000 0.289 43 Y C 0.665 176.329 175.900 -0.393 0.000 1.146 43 Y CA 1.229 59.169 58.100 -0.267 0.000 1.182 43 Y CB -0.145 38.078 38.460 -0.394 0.000 0.983 43 Y HN 0.182 nan 8.280 nan 0.000 0.524 44 F N 1.010 121.008 119.950 0.079 0.000 2.974 44 F HA 0.426 4.956 4.527 0.006 0.000 0.292 44 F C 0.868 176.651 175.800 -0.029 0.000 1.209 44 F CA -0.423 57.576 58.000 -0.003 0.000 1.366 44 F CB -0.876 38.144 39.000 0.034 0.000 1.033 44 F HN 0.001 nan 8.300 nan 0.000 0.516 45 A N 0.223 123.063 122.820 0.034 0.000 2.567 45 A HA 0.382 4.705 4.320 0.006 0.000 0.240 45 A C 1.571 179.173 177.584 0.031 0.000 1.053 45 A CA 0.953 53.007 52.037 0.027 0.000 0.755 45 A CB -0.555 18.433 19.000 -0.021 0.000 0.978 45 A HN 1.129 nan 8.150 nan 0.000 0.507 46 G N 1.770 110.592 108.800 0.038 0.000 2.217 46 G HA2 -0.204 3.759 3.960 0.006 0.000 0.246 46 G HA3 -0.204 3.759 3.960 0.006 0.000 0.246 46 G C 0.272 175.193 174.900 0.035 0.000 0.990 46 G CA 0.539 45.655 45.100 0.027 0.000 0.627 46 G HN 0.789 nan 8.290 nan 0.000 0.522 47 K N 0.488 120.924 120.400 0.059 0.000 2.130 47 K HA 0.468 4.791 4.320 0.006 0.000 0.268 47 K C -0.110 176.496 176.600 0.010 0.000 0.983 47 K CA -0.782 55.530 56.287 0.042 0.000 0.893 47 K CB 1.866 34.413 32.500 0.078 0.000 1.066 47 K HN 0.191 nan 8.250 nan 0.000 0.450 48 K N 3.706 124.094 120.400 -0.020 0.000 2.219 48 K HA 0.200 4.524 4.320 0.006 0.000 0.280 48 K C -0.064 176.483 176.600 -0.087 0.000 1.104 48 K CA -0.220 56.046 56.287 -0.034 0.000 0.925 48 K CB -0.205 32.279 32.500 -0.026 0.000 1.261 48 K HN 0.569 nan 8.250 nan 0.000 0.445 49 I N 0.005 120.505 120.570 -0.117 0.000 2.797 49 I HA 0.613 4.787 4.170 0.006 0.000 0.307 49 I C -0.611 175.371 176.117 -0.226 0.000 1.033 49 I CA -0.794 60.361 61.300 -0.241 0.000 1.071 49 I CB 2.258 40.012 38.000 -0.409 0.000 1.255 49 I HN 0.422 nan 8.210 nan 0.000 0.445 50 S N 2.944 118.467 115.700 -0.294 0.000 2.548 50 S HA 0.665 5.139 4.470 0.006 0.000 0.286 50 S C -1.030 173.381 174.600 -0.316 0.000 1.098 50 S CA -0.658 57.431 58.200 -0.185 0.000 0.930 50 S CB 1.273 64.432 63.200 -0.067 0.000 1.070 50 S HN 0.500 nan 8.310 nan 0.000 0.480 51 F N 2.341 122.273 119.950 -0.030 0.000 2.404 51 F HA 0.443 4.973 4.527 0.006 0.000 0.345 51 F C 1.562 177.354 175.800 -0.013 0.000 1.110 51 F CA -0.530 57.459 58.000 -0.018 0.000 1.130 51 F CB 1.330 40.328 39.000 -0.004 0.000 1.129 51 F HN 0.865 nan 8.300 nan 0.000 0.500 52 N N 0.522 119.287 118.700 0.109 0.000 2.499 52 N HA 0.080 4.823 4.740 0.006 0.000 0.182 52 N C -0.473 175.102 175.510 0.109 0.000 1.034 52 N CA 0.581 53.676 53.050 0.075 0.000 0.882 52 N CB 0.578 39.084 38.487 0.031 0.000 1.125 52 N HN 0.530 nan 8.380 nan 0.000 0.436 53 T N 0.172 114.766 114.554 0.067 0.000 3.032 53 T HA 0.509 4.863 4.350 0.006 0.000 0.312 53 T C -1.654 173.043 174.700 -0.005 0.000 1.078 53 T CA -0.575 61.474 62.100 -0.085 0.000 1.028 53 T CB 2.251 70.923 68.868 -0.326 0.000 1.091 53 T HN -0.177 nan 8.240 nan 0.000 0.457 54 V N 2.753 122.680 119.914 0.022 0.000 2.488 54 V HA 0.764 4.887 4.120 0.006 0.000 0.293 54 V C -0.153 176.000 176.094 0.098 0.000 1.027 54 V CA -0.482 61.872 62.300 0.089 0.000 0.862 54 V CB 1.695 33.577 31.823 0.097 0.000 1.008 54 V HN 0.978 nan 8.190 nan 0.000 0.428 55 T N 4.034 118.669 114.554 0.135 0.000 2.883 55 T HA 0.592 4.945 4.350 0.006 0.000 0.301 55 T C -1.133 173.701 174.700 0.224 0.000 1.158 55 T CA -0.538 61.682 62.100 0.199 0.000 1.007 55 T CB 1.600 70.601 68.868 0.222 0.000 1.186 55 T HN 0.567 nan 8.240 nan 0.000 0.499 56 L N 3.267 124.613 121.223 0.204 0.000 2.540 56 L HA 0.470 4.813 4.340 0.006 0.000 0.276 56 L C 0.270 177.233 176.870 0.155 0.000 1.212 56 L CA 0.232 55.168 54.840 0.160 0.000 0.893 56 L CB 0.291 42.428 42.059 0.131 0.000 1.138 56 L HN 0.602 nan 8.230 nan 0.000 0.491 57 R N 4.553 125.132 120.500 0.132 0.000 2.204 57 R HA 0.295 4.639 4.340 0.006 0.000 0.341 57 R C -0.504 175.823 176.300 0.045 0.000 1.035 57 R CA -0.104 56.047 56.100 0.085 0.000 0.887 57 R CB 0.025 30.382 30.300 0.096 0.000 1.114 57 R HN 0.747 nan 8.270 nan 0.000 0.473 58 E N 5.652 125.864 120.200 0.019 0.000 2.415 58 E HA 0.102 4.455 4.350 0.006 0.000 0.262 58 E C -1.864 174.745 176.600 0.015 0.000 1.038 58 E CA -1.453 54.947 56.400 0.001 0.000 0.921 58 E CB 0.332 30.013 29.700 -0.031 0.000 0.950 58 E HN 0.558 nan 8.360 nan 0.000 0.438 59 P HA -0.004 nan 4.420 nan 0.000 0.269 59 P C -0.895 176.457 177.300 0.087 0.000 1.215 59 P CA -0.229 62.903 63.100 0.053 0.000 0.780 59 P CB 0.500 32.245 31.700 0.074 0.000 0.898 60 A N 2.508 125.377 122.820 0.082 0.000 2.565 60 A HA -0.079 4.245 4.320 0.006 0.000 0.237 60 A C 1.862 179.517 177.584 0.118 0.000 1.053 60 A CA 0.092 52.187 52.037 0.096 0.000 0.755 60 A CB -0.453 18.590 19.000 0.072 0.000 0.980 60 A HN 0.687 nan 8.150 nan 0.000 0.506 61 R N 1.570 122.123 120.500 0.089 0.000 2.096 61 R HA -0.198 4.146 4.340 0.006 0.000 0.240 61 R C 1.773 178.031 176.300 -0.071 0.000 1.139 61 R CA 2.342 58.386 56.100 -0.094 0.000 0.952 61 R CB -0.237 29.798 30.300 -0.442 0.000 0.854 61 R HN 0.852 nan 8.270 nan 0.000 0.436 62 K N -0.433 119.942 120.400 -0.042 0.000 2.097 62 K HA -0.099 4.224 4.320 0.006 0.000 0.206 62 K C 2.094 178.721 176.600 0.046 0.000 1.049 62 K CA 1.305 57.583 56.287 -0.015 0.000 0.933 62 K CB -0.125 32.371 32.500 -0.007 0.000 0.717 62 K HN 0.253 nan 8.250 nan 0.000 0.442 63 A N 0.697 123.563 122.820 0.076 0.000 1.902 63 A HA -0.207 4.116 4.320 0.006 0.000 0.217 63 A C 2.057 179.730 177.584 0.148 0.000 1.181 63 A CA 1.278 53.371 52.037 0.092 0.000 0.623 63 A CB -0.727 18.319 19.000 0.076 0.000 0.818 63 A HN 0.421 nan 8.150 nan 0.000 0.443 64 Y N 0.423 120.779 120.300 0.093 0.000 2.145 64 Y HA -0.167 4.386 4.550 0.006 0.000 0.286 64 Y C 2.013 178.062 175.900 0.249 0.000 1.145 64 Y CA 1.875 60.086 58.100 0.185 0.000 1.148 64 Y CB -0.224 38.358 38.460 0.203 0.000 0.981 64 Y HN 0.260 nan 8.280 nan 0.000 0.507 65 I N 0.087 120.777 120.570 0.200 0.000 2.226 65 I HA -0.339 3.834 4.170 0.006 0.000 0.245 65 I C 2.340 178.446 176.117 -0.019 0.000 1.100 65 I CA 1.565 62.915 61.300 0.083 0.000 1.374 65 I CB -0.488 37.544 38.000 0.053 0.000 1.057 65 I HN 0.339 nan 8.210 nan 0.000 0.413 66 Q N -0.429 119.377 119.800 0.010 0.000 2.124 66 Q HA -0.269 4.075 4.340 0.006 0.000 0.202 66 Q C 2.007 177.996 176.000 -0.020 0.000 0.977 66 Q CA 2.062 57.862 55.803 -0.006 0.000 0.850 66 Q CB -0.304 28.445 28.738 0.019 0.000 0.901 66 Q HN 0.631 nan 8.270 nan 0.000 0.429 67 W N 1.746 122.937 121.300 -0.181 0.000 2.355 67 W HA -0.158 4.505 4.660 0.006 0.000 0.309 67 W C 2.023 178.384 176.519 -0.264 0.000 1.206 67 W CA 1.252 58.466 57.345 -0.218 0.000 1.284 67 W CB -0.006 29.298 29.460 -0.261 0.000 1.145 67 W HN -0.147 nan 8.180 nan 0.000 0.502 68 K N 0.145 120.218 120.400 -0.544 0.000 2.103 68 K HA -0.131 4.193 4.320 0.006 0.000 0.204 68 K C 1.290 177.597 176.600 -0.489 0.000 1.052 68 K CA 1.785 57.595 56.287 -0.795 0.000 0.945 68 K CB -0.054 32.142 32.500 -0.507 0.000 0.722 68 K HN 0.322 nan 8.250 nan 0.000 0.443 69 E N -1.194 118.832 120.200 -0.290 0.000 2.541 69 E HA 0.045 4.399 4.350 0.006 0.000 0.219 69 E C 0.425 176.936 176.600 -0.147 0.000 0.922 69 E CA 0.002 56.294 56.400 -0.180 0.000 1.095 69 E CB 0.935 30.577 29.700 -0.096 0.000 1.112 69 E HN 0.197 nan 8.360 nan 0.000 0.516 70 Q N -0.265 119.446 119.800 -0.149 0.000 2.110 70 Q HA 0.211 4.554 4.340 0.006 0.000 0.232 70 Q C 0.348 176.287 176.000 -0.102 0.000 0.810 70 Q CA 0.149 55.892 55.803 -0.100 0.000 1.083 70 Q CB 1.734 30.435 28.738 -0.062 0.000 1.193 70 Q HN 0.284 nan 8.270 nan 0.000 0.471 71 G N 0.929 109.633 108.800 -0.160 0.000 2.258 71 G HA2 -0.287 3.677 3.960 0.006 0.000 0.274 71 G HA3 -0.287 3.677 3.960 0.006 0.000 0.274 71 G C 0.419 175.279 174.900 -0.067 0.000 1.021 71 G CA 0.074 45.091 45.100 -0.139 0.000 0.798 71 G HN 0.485 nan 8.290 nan 0.000 0.507 72 G N -0.095 108.680 108.800 -0.042 0.000 2.599 72 G HA2 0.636 4.600 3.960 0.006 0.000 0.264 72 G HA3 0.636 4.600 3.960 0.006 0.000 0.264 72 G C -1.313 173.673 174.900 0.143 0.000 1.200 72 G CA -0.474 44.653 45.100 0.044 0.000 0.896 72 G HN 0.304 nan 8.290 nan 0.000 0.536 73 P HA 0.096 nan 4.420 nan 0.000 0.269 73 P C -0.265 177.132 177.300 0.162 0.000 1.209 73 P CA -0.620 62.557 63.100 0.129 0.000 0.776 73 P CB 0.942 32.680 31.700 0.063 0.000 0.876 74 L N 5.381 126.662 121.223 0.097 0.000 2.462 74 L HA 0.213 4.557 4.340 0.006 0.000 0.272 74 L C -2.017 174.753 176.870 -0.167 0.000 1.166 74 L CA -1.391 53.340 54.840 -0.181 0.000 0.880 74 L CB -0.958 41.018 42.059 -0.139 0.000 1.142 74 L HN 0.300 nan 8.230 nan 0.000 0.473 75 P HA 0.185 nan 4.420 nan 0.000 0.269 75 P C -2.535 174.703 177.300 -0.103 0.000 1.215 75 P CA -0.846 62.183 63.100 -0.119 0.000 0.780 75 P CB -0.330 31.308 31.700 -0.104 0.000 0.898 76 P HA 0.136 nan 4.420 nan 0.000 0.271 76 P C -0.393 176.892 177.300 -0.027 0.000 1.218 76 P CA -0.146 62.935 63.100 -0.031 0.000 0.780 76 P CB 0.630 32.327 31.700 -0.006 0.000 0.901 77 R N 2.425 122.913 120.500 -0.019 0.000 2.296 77 R HA 0.368 4.711 4.340 0.006 0.000 0.323 77 R C -0.044 176.272 176.300 0.026 0.000 1.067 77 R CA -0.214 55.885 56.100 -0.000 0.000 0.946 77 R CB -0.507 29.794 30.300 0.003 0.000 0.991 77 R HN 0.548 nan 8.270 nan 0.000 0.448 78 L N 1.724 122.972 121.223 0.042 0.000 2.346 78 L HA 0.637 4.980 4.340 0.006 0.000 0.274 78 L C 0.026 176.958 176.870 0.104 0.000 1.007 78 L CA -1.078 53.804 54.840 0.070 0.000 0.818 78 L CB 2.093 44.193 42.059 0.067 0.000 1.284 78 L HN 0.505 nan 8.230 nan 0.000 0.424 79 A N 2.221 125.122 122.820 0.135 0.000 2.303 79 A HA 0.527 4.851 4.320 0.006 0.000 0.320 79 A C -1.446 176.289 177.584 0.252 0.000 1.192 79 A CA -0.374 51.771 52.037 0.180 0.000 0.821 79 A CB 0.816 19.911 19.000 0.157 0.000 1.188 79 A HN 0.594 nan 8.150 nan 0.000 0.492 80 Y N 3.529 123.897 120.300 0.113 0.000 2.313 80 Y HA 0.550 5.104 4.550 0.006 0.000 0.332 80 Y C -0.691 175.288 175.900 0.132 0.000 1.071 80 Y CA -0.741 57.400 58.100 0.069 0.000 1.169 80 Y CB 0.610 39.095 38.460 0.041 0.000 1.192 80 Y HN 0.694 nan 8.280 nan 0.000 0.487 81 Y N 3.347 123.358 120.300 -0.483 0.000 2.536 81 Y HA 0.823 5.377 4.550 0.006 0.000 0.347 81 Y C -1.945 173.588 175.900 -0.612 0.000 1.000 81 Y CA -1.731 56.131 58.100 -0.398 0.000 1.051 81 Y CB 1.146 39.587 38.460 -0.032 0.000 1.259 81 Y HN 0.337 nan 8.280 nan 0.000 0.468 82 V N 4.857 124.647 119.914 -0.206 0.000 2.577 82 V HA 0.557 4.680 4.120 0.006 0.000 0.303 82 V C -0.272 175.803 176.094 -0.031 0.000 1.042 82 V CA -0.759 61.448 62.300 -0.156 0.000 0.872 82 V CB 1.369 33.140 31.823 -0.086 0.000 0.998 82 V HN 0.864 nan 8.190 nan 0.000 0.423 83 I N 2.518 123.033 120.570 -0.092 0.000 2.892 83 I HA 0.712 4.886 4.170 0.006 0.000 0.306 83 I C -1.226 174.749 176.117 -0.237 0.000 1.078 83 I CA -0.949 60.196 61.300 -0.259 0.000 1.032 83 I CB 2.302 40.006 38.000 -0.494 0.000 1.229 83 I HN 0.291 nan 8.210 nan 0.000 0.435 84 L N 2.334 123.409 121.223 -0.247 0.000 2.334 84 L HA 0.587 4.930 4.340 0.006 0.000 0.272 84 L C -0.390 176.338 176.870 -0.236 0.000 1.020 84 L CA -0.467 54.255 54.840 -0.197 0.000 0.812 84 L CB 1.826 43.807 42.059 -0.131 0.000 1.264 84 L HN 0.785 nan 8.230 nan 0.000 0.439 85 E N 1.188 121.273 120.200 -0.193 0.000 2.199 85 E HA 0.513 4.866 4.350 0.006 0.000 0.265 85 E C -0.698 175.839 176.600 -0.106 0.000 0.882 85 E CA -0.774 55.523 56.400 -0.173 0.000 0.759 85 E CB 2.092 31.679 29.700 -0.188 0.000 1.148 85 E HN 0.721 nan 8.360 nan 0.000 0.412 86 A N 2.961 125.731 122.820 -0.084 0.000 2.580 86 A HA 0.344 4.668 4.320 0.006 0.000 0.244 86 A C 1.229 178.787 177.584 -0.043 0.000 1.045 86 A CA 1.062 53.067 52.037 -0.054 0.000 0.761 86 A CB -0.641 18.334 19.000 -0.041 0.000 0.962 86 A HN 1.185 nan 8.150 nan 0.000 0.512 87 G N 1.695 110.474 108.800 -0.034 0.000 2.148 87 G HA2 -0.208 3.755 3.960 0.006 0.000 0.254 87 G HA3 -0.208 3.755 3.960 0.006 0.000 0.254 87 G C 0.127 175.012 174.900 -0.024 0.000 0.981 87 G CA 0.721 45.806 45.100 -0.024 0.000 0.670 87 G HN 0.765 nan 8.290 nan 0.000 0.528 88 K N 0.769 121.147 120.400 -0.037 0.000 2.270 88 K HA 0.540 4.864 4.320 0.006 0.000 0.255 88 K C -2.332 174.246 176.600 -0.037 0.000 0.936 88 K CA -1.804 54.462 56.287 -0.035 0.000 0.809 88 K CB 2.503 34.973 32.500 -0.050 0.000 1.131 88 K HN 0.146 nan 8.250 nan 0.000 0.427 89 P HA 0.209 nan 4.420 nan 0.000 0.278 89 P C 0.568 177.847 177.300 -0.035 0.000 1.238 89 P CA 0.244 63.332 63.100 -0.020 0.000 0.794 89 P CB 0.796 32.495 31.700 -0.003 0.000 0.955 90 G N 1.014 109.791 108.800 -0.038 0.000 2.527 90 G HA2 -0.087 3.877 3.960 0.006 0.000 0.268 90 G HA3 -0.087 3.877 3.960 0.006 0.000 0.268 90 G C -0.322 174.518 174.900 -0.100 0.000 1.175 90 G CA 0.373 45.435 45.100 -0.063 0.000 0.962 90 G HN 0.973 nan 8.290 nan 0.000 0.560 91 V N -3.501 116.332 119.914 -0.135 0.000 3.181 91 V HA 0.943 5.066 4.120 0.006 0.000 0.308 91 V C -0.420 175.589 176.094 -0.142 0.000 1.214 91 V CA -0.682 61.519 62.300 -0.165 0.000 1.053 91 V CB 1.907 33.584 31.823 -0.244 0.000 1.069 91 V HN 1.034 nan 8.190 nan 0.000 0.441 92 K N 0.975 121.289 120.400 -0.142 0.000 2.259 92 K HA 0.716 5.040 4.320 0.006 0.000 0.249 92 K C -0.926 175.612 176.600 -0.103 0.000 0.942 92 K CA -0.569 55.669 56.287 -0.080 0.000 0.816 92 K CB 2.269 34.732 32.500 -0.062 0.000 1.155 92 K HN 1.008 nan 8.250 nan 0.000 0.428 93 E N 0.234 120.351 120.200 -0.138 0.000 2.433 93 E HA 0.801 5.155 4.350 0.006 0.000 0.273 93 E C -0.439 175.812 176.600 -0.583 0.000 0.950 93 E CA -1.276 54.877 56.400 -0.411 0.000 0.796 93 E CB 2.224 31.840 29.700 -0.141 0.000 1.330 93 E HN 0.639 nan 8.360 nan 0.000 0.455 94 G N 0.081 108.224 108.800 -1.095 0.000 2.325 94 G HA2 0.396 4.360 3.960 0.006 0.000 0.295 94 G HA3 0.396 4.360 3.960 0.006 0.000 0.295 94 G C -1.841 172.785 174.900 -0.456 0.000 1.274 94 G CA -1.006 43.711 45.100 -0.639 0.000 0.857 94 G HN 0.411 nan 8.290 nan 0.000 0.499 95 L N -0.064 121.151 121.223 -0.013 0.000 2.381 95 L HA 0.720 5.063 4.340 0.006 0.000 0.268 95 L C -0.541 176.458 176.870 0.214 0.000 0.997 95 L CA -1.179 53.748 54.840 0.144 0.000 0.818 95 L CB 2.309 44.432 42.059 0.106 0.000 1.310 95 L HN 0.345 nan 8.230 nan 0.000 0.416 96 V N 0.941 120.986 119.914 0.219 0.000 2.417 96 V HA 0.183 4.306 4.120 0.006 0.000 0.291 96 V C -0.578 175.570 176.094 0.089 0.000 1.024 96 V CA -0.503 61.878 62.300 0.136 0.000 0.861 96 V CB 1.950 33.847 31.823 0.123 0.000 0.985 96 V HN 0.719 nan 8.190 nan 0.000 0.436 97 D N 3.547 123.981 120.400 0.056 0.000 2.336 97 D HA 0.260 4.903 4.640 0.006 0.000 0.249 97 D C 0.943 177.263 176.300 0.034 0.000 1.213 97 D CA -0.110 53.915 54.000 0.041 0.000 0.870 97 D CB 1.038 41.855 40.800 0.029 0.000 1.076 97 D HN 0.440 nan 8.370 nan 0.000 0.483 98 L N 3.607 124.849 121.223 0.032 0.000 2.156 98 L HA -0.036 4.308 4.340 0.006 0.000 0.208 98 L C 2.348 179.228 176.870 0.016 0.000 1.095 98 L CA 0.962 55.817 54.840 0.025 0.000 0.770 98 L CB -0.284 41.791 42.059 0.025 0.000 0.914 98 L HN 0.582 nan 8.230 nan 0.000 0.439 99 A N -0.147 122.681 122.820 0.013 0.000 1.898 99 A HA -0.186 4.138 4.320 0.006 0.000 0.216 99 A C 2.380 179.971 177.584 0.011 0.000 1.181 99 A CA 1.951 53.994 52.037 0.009 0.000 0.620 99 A CB -0.499 18.505 19.000 0.007 0.000 0.819 99 A HN 0.486 nan 8.150 nan 0.000 0.442 100 S N -1.272 114.436 115.700 0.014 0.000 2.556 100 S HA 0.370 4.843 4.470 0.006 0.000 0.216 100 S C 0.549 175.159 174.600 0.017 0.000 0.970 100 S CA 0.221 58.430 58.200 0.015 0.000 0.912 100 S CB -0.548 62.662 63.200 0.016 0.000 0.790 100 S HN 0.627 nan 8.310 nan 0.000 0.504 101 L N 1.975 123.208 121.223 0.017 0.000 3.762 101 L HA -0.177 4.166 4.340 0.006 0.000 0.460 101 L C 0.031 176.913 176.870 0.020 0.000 1.255 101 L CA 0.474 55.324 54.840 0.017 0.000 0.783 101 L CB -2.458 39.609 42.059 0.014 0.000 1.600 101 L HN 0.695 nan 8.230 nan 0.000 0.862 102 S N -2.335 113.376 115.700 0.019 0.000 2.549 102 S HA 0.756 5.230 4.470 0.006 0.000 0.280 102 S C -0.325 174.270 174.600 -0.008 0.000 1.109 102 S CA -1.016 57.193 58.200 0.015 0.000 0.905 102 S CB 2.611 65.825 63.200 0.023 0.000 1.081 102 S HN -0.010 nan 8.310 nan 0.000 0.477 103 V N 3.323 123.193 119.914 -0.074 0.000 2.470 103 V HA 0.219 4.342 4.120 0.006 0.000 0.276 103 V C 1.117 177.144 176.094 -0.111 0.000 1.040 103 V CA -0.130 62.073 62.300 -0.162 0.000 1.008 103 V CB 0.197 31.656 31.823 -0.606 0.000 0.990 103 V HN 0.915 nan 8.190 nan 0.000 0.477 104 I N 1.178 121.729 120.570 -0.031 0.000 4.070 104 I HA 0.535 4.709 4.170 0.006 0.000 0.328 104 I C 0.573 176.688 176.117 -0.003 0.000 1.298 104 I CA 0.319 61.615 61.300 -0.007 0.000 1.173 104 I CB 0.481 38.492 38.000 0.018 0.000 1.051 104 I HN 0.604 nan 8.210 nan 0.000 0.409 105 E N 0.412 120.607 120.200 -0.009 0.000 2.354 105 E HA 0.487 4.840 4.350 0.006 0.000 0.283 105 E C -1.384 175.214 176.600 -0.003 0.000 0.938 105 E CA -0.483 55.920 56.400 0.004 0.000 0.777 105 E CB 2.390 32.103 29.700 0.021 0.000 1.222 105 E HN 0.093 nan 8.360 nan 0.000 0.423 106 T N 2.440 117.005 114.554 0.018 0.000 2.942 106 T HA 0.662 5.015 4.350 0.006 0.000 0.327 106 T C -2.015 172.733 174.700 0.081 0.000 1.360 106 T CA -0.669 61.468 62.100 0.061 0.000 1.055 106 T CB 0.957 69.884 68.868 0.098 0.000 1.261 106 T HN 0.629 nan 8.240 nan 0.000 0.485 107 R N 1.543 122.095 120.500 0.088 0.000 2.664 107 R HA 0.789 5.132 4.340 0.006 0.000 0.260 107 R C -1.669 174.672 176.300 0.068 0.000 1.062 107 R CA -1.143 55.005 56.100 0.081 0.000 0.902 107 R CB 0.869 31.201 30.300 0.054 0.000 1.258 107 R HN 0.700 nan 8.270 nan 0.000 0.465 108 A N 2.444 125.302 122.820 0.063 0.000 2.301 108 A HA 0.644 4.968 4.320 0.006 0.000 0.312 108 A C -0.964 176.622 177.584 0.004 0.000 1.182 108 A CA -0.669 51.386 52.037 0.029 0.000 0.826 108 A CB 0.815 19.840 19.000 0.042 0.000 1.134 108 A HN 0.418 nan 8.150 nan 0.000 0.501 109 L N 2.788 123.991 121.223 -0.033 0.000 2.384 109 L HA 0.333 4.677 4.340 0.006 0.000 0.261 109 L C 0.940 177.781 176.870 -0.049 0.000 1.024 109 L CA 0.255 55.070 54.840 -0.042 0.000 0.899 109 L CB 0.568 42.577 42.059 -0.084 0.000 1.243 109 L HN 0.928 nan 8.230 nan 0.000 0.449 110 E N 0.368 120.557 120.200 -0.019 0.000 2.347 110 E HA -0.059 4.295 4.350 0.006 0.000 0.196 110 E C 0.563 177.162 176.600 -0.002 0.000 1.008 110 E CA 1.127 57.520 56.400 -0.013 0.000 0.852 110 E CB 0.448 30.149 29.700 0.002 0.000 0.783 110 E HN 0.657 nan 8.360 nan 0.000 0.505 111 T N -1.970 112.588 114.554 0.007 0.000 3.296 111 T HA 0.293 4.647 4.350 0.006 0.000 0.285 111 T C 0.146 174.875 174.700 0.048 0.000 1.014 111 T CA -0.522 61.600 62.100 0.037 0.000 0.920 111 T CB -0.180 68.719 68.868 0.052 0.000 1.143 111 T HN -0.020 nan 8.240 nan 0.000 0.522 112 V N -2.228 117.692 119.914 0.009 0.000 3.113 112 V HA 0.845 4.968 4.120 0.006 0.000 0.316 112 V C -1.517 174.575 176.094 -0.003 0.000 1.125 112 V CA -1.086 61.226 62.300 0.019 0.000 1.026 112 V CB 2.299 34.109 31.823 -0.021 0.000 1.080 112 V HN 0.143 nan 8.190 nan 0.000 0.444 113 Q N 1.822 121.648 119.800 0.043 0.000 2.356 113 Q HA 0.643 4.987 4.340 0.006 0.000 0.270 113 Q C -2.827 173.213 176.000 0.067 0.000 1.058 113 Q CA -1.737 54.085 55.803 0.032 0.000 0.802 113 Q CB 2.766 31.540 28.738 0.060 0.000 1.303 113 Q HN 0.731 nan 8.270 nan 0.000 0.444 114 P HA 0.336 nan 4.420 nan 0.000 0.287 114 P C 0.042 177.415 177.300 0.121 0.000 1.296 114 P CA -0.813 62.382 63.100 0.158 0.000 0.811 114 P CB 1.280 33.049 31.700 0.115 0.000 1.211 115 I N 0.027 120.688 120.570 0.152 0.000 2.948 115 I HA -0.119 4.055 4.170 0.006 0.000 0.303 115 I C -0.005 176.183 176.117 0.118 0.000 1.224 115 I CA 0.218 61.587 61.300 0.114 0.000 1.442 115 I CB 0.033 38.158 38.000 0.208 0.000 1.328 115 I HN 0.113 nan 8.210 nan 0.000 0.578 116 L N 7.689 128.968 121.223 0.094 0.000 2.261 116 L HA 0.241 4.584 4.340 0.006 0.000 0.289 116 L C 0.639 177.581 176.870 0.121 0.000 1.059 116 L CA -0.443 54.469 54.840 0.121 0.000 0.816 116 L CB 0.817 42.983 42.059 0.178 0.000 1.191 116 L HN 0.669 nan 8.230 nan 0.000 0.431 117 T N -0.474 114.068 114.554 -0.020 0.000 2.788 117 T HA 0.188 4.541 4.350 0.006 0.000 0.287 117 T C 1.451 176.053 174.700 -0.163 0.000 1.007 117 T CA -0.868 61.067 62.100 -0.274 0.000 1.005 117 T CB 1.375 70.008 68.868 -0.391 0.000 1.012 117 T HN 0.191 nan 8.240 nan 0.000 0.530 118 V N 1.403 121.177 119.914 -0.233 0.000 2.324 118 V HA -0.180 3.944 4.120 0.006 0.000 0.250 118 V C 2.865 178.925 176.094 -0.056 0.000 1.060 118 V CA 2.258 64.501 62.300 -0.095 0.000 1.042 118 V CB -1.038 30.746 31.823 -0.065 0.000 0.650 118 V HN 0.949 nan 8.190 nan 0.000 0.450 119 E N -0.263 119.891 120.200 -0.077 0.000 2.077 119 E HA -0.243 4.111 4.350 0.006 0.000 0.193 119 E C 2.013 178.603 176.600 -0.017 0.000 0.989 119 E CA 1.435 57.815 56.400 -0.034 0.000 0.800 119 E CB -0.225 29.455 29.700 -0.033 0.000 0.746 119 E HN 0.613 nan 8.360 nan 0.000 0.452 120 D N 0.479 120.865 120.400 -0.024 0.000 2.149 120 D HA -0.143 4.501 4.640 0.006 0.000 0.198 120 D C 1.919 178.235 176.300 0.026 0.000 0.990 120 D CA 0.955 54.957 54.000 0.004 0.000 0.839 120 D CB -0.030 40.778 40.800 0.012 0.000 0.948 120 D HN 0.198 nan 8.370 nan 0.000 0.460 121 L N 0.583 121.824 121.223 0.030 0.000 2.375 121 L HA 0.004 4.347 4.340 0.006 0.000 0.215 121 L C 2.629 179.526 176.870 0.044 0.000 1.108 121 L CA 0.275 55.146 54.840 0.051 0.000 0.830 121 L CB -0.154 41.934 42.059 0.048 0.000 0.959 121 L HN 0.184 nan 8.230 nan 0.000 0.457 122 C N -1.485 117.832 119.300 0.028 0.000 2.432 122 C HA -0.029 4.434 4.460 0.006 0.000 0.282 122 C C 2.753 177.763 174.990 0.032 0.000 1.388 122 C CA 0.455 59.492 59.018 0.031 0.000 1.777 122 C CB -1.140 26.613 27.740 0.022 0.000 1.882 122 C HN 0.556 nan 8.230 nan 0.000 0.520 123 S N -0.322 115.395 115.700 0.028 0.000 2.535 123 S HA 0.013 4.486 4.470 0.006 0.000 0.214 123 S C 1.362 175.978 174.600 0.026 0.000 0.980 123 S CA 0.941 59.155 58.200 0.022 0.000 0.907 123 S CB -0.863 62.346 63.200 0.015 0.000 0.790 123 S HN 0.621 nan 8.310 nan 0.000 0.510 124 T N 2.625 117.203 114.554 0.039 0.000 2.788 124 T HA -0.084 4.270 4.350 0.006 0.000 0.268 124 T C 1.614 176.341 174.700 0.045 0.000 1.044 124 T CA 1.682 63.810 62.100 0.047 0.000 1.139 124 T CB -0.300 68.610 68.868 0.069 0.000 0.867 124 T HN 0.627 nan 8.240 nan 0.000 0.454 125 E N 0.575 120.802 120.200 0.045 0.000 2.051 125 E HA -0.174 4.180 4.350 0.006 0.000 0.192 125 E C 2.282 178.881 176.600 -0.001 0.000 0.991 125 E CA 0.969 57.385 56.400 0.027 0.000 0.799 125 E CB 0.092 29.805 29.700 0.021 0.000 0.748 125 E HN 0.294 nan 8.360 nan 0.000 0.449 126 E N 0.044 120.242 120.200 -0.003 0.000 2.150 126 E HA -0.129 4.224 4.350 0.006 0.000 0.193 126 E C 2.238 178.839 176.600 0.002 0.000 0.985 126 E CA 0.606 57.001 56.400 -0.009 0.000 0.814 126 E CB -0.127 29.569 29.700 -0.007 0.000 0.752 126 E HN 0.185 nan 8.360 nan 0.000 0.466 127 V N 2.263 122.183 119.914 0.011 0.000 2.287 127 V HA -0.276 3.847 4.120 0.006 0.000 0.248 127 V C 2.554 178.660 176.094 0.019 0.000 1.053 127 V CA 2.093 64.400 62.300 0.013 0.000 1.027 127 V CB -0.721 31.111 31.823 0.015 0.000 0.646 127 V HN 0.356 nan 8.190 nan 0.000 0.447 128 I N -1.575 119.014 120.570 0.030 0.000 2.439 128 I HA -0.127 4.047 4.170 0.006 0.000 0.251 128 I C 2.512 178.654 176.117 0.043 0.000 1.139 128 I CA 1.417 62.746 61.300 0.049 0.000 1.438 128 I CB -0.564 37.483 38.000 0.079 0.000 1.085 128 I HN 0.056 nan 8.210 nan 0.000 0.427 129 R N 1.232 121.745 120.500 0.022 0.000 2.152 129 R HA -0.024 4.319 4.340 0.006 0.000 0.232 129 R C 1.238 177.546 176.300 0.014 0.000 1.117 129 R CA 1.311 57.419 56.100 0.013 0.000 0.981 129 R CB -0.394 29.896 30.300 -0.016 0.000 0.870 129 R HN 0.536 nan 8.270 nan 0.000 0.451 130 N N 0.572 119.278 118.700 0.010 0.000 2.236 130 N HA -0.039 4.704 4.740 0.006 0.000 0.196 130 N C -0.623 174.888 175.510 0.003 0.000 1.114 130 N CA 0.174 53.228 53.050 0.005 0.000 0.859 130 N CB 0.448 38.936 38.487 0.002 0.000 0.982 130 N HN 0.169 nan 8.380 nan 0.000 0.493 131 D N 1.087 121.490 120.400 0.005 0.000 2.295 131 D HA 0.168 4.811 4.640 0.006 0.000 0.248 131 D C -1.587 174.704 176.300 -0.015 0.000 1.154 131 D CA -1.918 52.080 54.000 -0.003 0.000 0.857 131 D CB 1.921 42.721 40.800 0.001 0.000 1.117 131 D HN -0.100 nan 8.370 nan 0.000 0.468 132 P HA -0.179 nan 4.420 nan 0.000 0.216 132 P C 0.832 178.099 177.300 -0.056 0.000 1.153 132 P CA 1.292 64.372 63.100 -0.032 0.000 0.858 132 P CB 0.141 31.823 31.700 -0.029 0.000 0.789 133 A N -0.801 121.980 122.820 -0.066 0.000 1.898 133 A HA -0.128 4.195 4.320 0.006 0.000 0.216 133 A C 2.331 179.826 177.584 -0.148 0.000 1.181 133 A CA 1.621 53.594 52.037 -0.107 0.000 0.620 133 A CB -1.622 17.312 19.000 -0.109 0.000 0.819 133 A HN 0.026 nan 8.150 nan 0.000 0.442 134 V N 0.289 120.145 119.914 -0.097 0.000 2.295 134 V HA -0.277 3.847 4.120 0.006 0.000 0.246 134 V C 2.418 178.457 176.094 -0.093 0.000 1.049 134 V CA 2.052 64.300 62.300 -0.086 0.000 1.024 134 V CB -0.742 31.115 31.823 0.055 0.000 0.648 134 V HN 0.575 nan 8.190 nan 0.000 0.447 135 I N 0.212 120.754 120.570 -0.046 0.000 2.151 135 I HA -0.329 3.845 4.170 0.006 0.000 0.243 135 I C 2.614 178.687 176.117 -0.073 0.000 1.080 135 I CA 2.248 63.529 61.300 -0.031 0.000 1.339 135 I CB -0.411 37.580 38.000 -0.016 0.000 1.039 135 I HN 0.447 nan 8.210 nan 0.000 0.409 136 E N 0.524 120.659 120.200 -0.108 0.000 2.085 136 E HA -0.277 4.077 4.350 0.006 0.000 0.194 136 E C 2.190 178.680 176.600 -0.184 0.000 0.994 136 E CA 1.192 57.517 56.400 -0.124 0.000 0.801 136 E CB 0.074 29.700 29.700 -0.123 0.000 0.743 136 E HN 0.420 nan 8.360 nan 0.000 0.453 137 Q N 0.021 119.627 119.800 -0.325 0.000 2.167 137 Q HA -0.113 4.230 4.340 0.006 0.000 0.202 137 Q C 2.389 178.191 176.000 -0.330 0.000 0.970 137 Q CA 1.134 56.611 55.803 -0.543 0.000 0.855 137 Q CB -0.580 27.384 28.738 -1.290 0.000 0.911 137 Q HN 0.448 nan 8.270 nan 0.000 0.438 138 C N -0.265 118.953 119.300 -0.138 0.000 2.432 138 C HA -0.070 4.394 4.460 0.006 0.000 0.277 138 C C 2.854 177.848 174.990 0.007 0.000 1.249 138 C CA 0.425 59.483 59.018 0.067 0.000 1.725 138 C CB -0.977 26.828 27.740 0.108 0.000 2.028 138 C HN 0.251 nan 8.230 nan 0.000 0.477 139 V N 0.783 120.678 119.914 -0.032 0.000 2.255 139 V HA -0.212 3.912 4.120 0.006 0.000 0.247 139 V C 2.422 178.493 176.094 -0.038 0.000 1.051 139 V CA 1.691 63.972 62.300 -0.032 0.000 1.018 139 V CB -0.722 31.079 31.823 -0.036 0.000 0.641 139 V HN 0.389 nan 8.190 nan 0.000 0.445 140 L N 0.184 121.371 121.223 -0.059 0.000 2.127 140 L HA -0.118 4.226 4.340 0.006 0.000 0.211 140 L C 2.325 179.179 176.870 -0.026 0.000 1.089 140 L CA 1.838 56.647 54.840 -0.052 0.000 0.757 140 L CB -1.245 40.765 42.059 -0.082 0.000 0.899 140 L HN 0.323 nan 8.230 nan 0.000 0.434 141 S N -0.900 114.797 115.700 -0.005 0.000 2.593 141 S HA 0.290 4.763 4.470 0.006 0.000 0.217 141 S C 1.411 176.000 174.600 -0.018 0.000 0.966 141 S CA 0.618 58.835 58.200 0.028 0.000 0.914 141 S CB 0.092 63.374 63.200 0.138 0.000 0.776 141 S HN 0.633 nan 8.310 nan 0.000 0.523 142 G N 1.372 110.152 108.800 -0.034 0.000 2.144 142 G HA2 -0.202 3.762 3.960 0.006 0.000 0.218 142 G HA3 -0.202 3.762 3.960 0.006 0.000 0.218 142 G C -0.105 174.745 174.900 -0.084 0.000 0.988 142 G CA -0.436 44.630 45.100 -0.057 0.000 0.659 142 G HN 0.485 nan 8.290 nan 0.000 0.522 143 I N 1.723 122.253 120.570 -0.067 0.000 2.354 143 I HA 0.338 4.511 4.170 0.006 0.000 0.286 143 I C -2.151 173.963 176.117 -0.004 0.000 1.007 143 I CA -2.512 58.753 61.300 -0.058 0.000 1.167 143 I CB 1.994 39.964 38.000 -0.052 0.000 1.320 143 I HN -0.165 nan 8.210 nan 0.000 0.458 144 P HA 0.027 nan 4.420 nan 0.000 0.268 144 P C 0.565 177.884 177.300 0.031 0.000 1.208 144 P CA -0.061 63.050 63.100 0.018 0.000 0.777 144 P CB 0.892 32.608 31.700 0.028 0.000 0.875 145 A N 3.251 126.084 122.820 0.022 0.000 2.024 145 A HA -0.220 4.104 4.320 0.006 0.000 0.220 145 A C 1.549 179.159 177.584 0.044 0.000 1.164 145 A CA 1.916 53.968 52.037 0.025 0.000 0.643 145 A CB -1.431 17.576 19.000 0.012 0.000 0.806 145 A HN 0.809 nan 8.150 nan 0.000 0.451 146 N N -1.142 117.590 118.700 0.053 0.000 2.449 146 N HA 0.005 4.749 4.740 0.006 0.000 0.191 146 N C 0.322 175.914 175.510 0.136 0.000 1.161 146 N CA 0.414 53.511 53.050 0.078 0.000 0.863 146 N CB 0.037 38.560 38.487 0.061 0.000 0.980 146 N HN 0.569 nan 8.380 nan 0.000 0.458 147 E N -0.004 120.260 120.200 0.107 0.000 2.685 147 E HA 0.179 4.533 4.350 0.006 0.000 0.208 147 E C 0.760 177.345 176.600 -0.024 0.000 0.996 147 E CA -0.338 56.101 56.400 0.064 0.000 1.054 147 E CB 0.366 30.101 29.700 0.057 0.000 1.075 147 E HN 0.315 nan 8.360 nan 0.000 0.460 148 M N 0.892 120.525 119.600 0.055 0.000 2.358 148 M HA -0.139 4.345 4.480 0.006 0.000 0.264 148 M C 2.055 178.339 176.300 -0.026 0.000 1.064 148 M CA 1.413 56.730 55.300 0.030 0.000 1.093 148 M CB -1.063 31.564 32.600 0.045 0.000 1.401 148 M HN 0.390 nan 8.290 nan 0.000 0.440 149 H N -0.562 118.490 119.070 -0.030 0.000 2.518 149 H HA -0.031 4.528 4.556 0.006 0.000 0.289 149 H C 1.043 176.297 175.328 -0.123 0.000 1.051 149 H CA 0.908 56.899 56.048 -0.095 0.000 1.280 149 H CB -0.446 29.282 29.762 -0.057 0.000 1.380 149 H HN 0.371 nan 8.280 nan 0.000 0.566 150 K N 0.954 121.056 120.400 -0.497 0.000 2.393 150 K HA 0.197 4.520 4.320 0.006 0.000 0.193 150 K C 0.105 176.720 176.600 0.026 0.000 1.026 150 K CA -0.060 56.067 56.287 -0.267 0.000 1.064 150 K CB 1.042 33.340 32.500 -0.338 0.000 0.833 150 K HN 0.016 nan 8.250 nan 0.000 0.521 151 V N 1.893 121.804 119.914 -0.005 0.000 2.465 151 V HA 0.204 4.328 4.120 0.006 0.000 0.279 151 V C -0.699 175.369 176.094 -0.044 0.000 1.045 151 V CA -0.475 61.902 62.300 0.129 0.000 0.938 151 V CB 0.408 32.304 31.823 0.123 0.000 0.986 151 V HN 0.035 nan 8.190 nan 0.000 0.467 152 Y N 2.762 123.103 120.300 0.068 0.000 2.605 152 Y HA 0.745 5.298 4.550 0.006 0.000 0.343 152 Y C 0.214 176.180 175.900 0.110 0.000 1.036 152 Y CA -0.888 57.252 58.100 0.066 0.000 1.065 152 Y CB 2.075 40.551 38.460 0.026 0.000 1.288 152 Y HN 0.855 nan 8.280 nan 0.000 0.481 153 C N -1.133 118.329 119.300 0.270 0.000 2.994 153 C HA 0.667 5.131 4.460 0.006 0.000 0.305 153 C C -1.417 173.748 174.990 0.292 0.000 1.251 153 C CA -0.980 58.194 59.018 0.260 0.000 1.478 153 C CB 1.647 29.475 27.740 0.146 0.000 1.922 153 C HN 0.740 nan 8.230 nan 0.000 0.472 154 D N 3.969 124.596 120.400 0.378 0.000 2.313 154 D HA 0.432 5.076 4.640 0.006 0.000 0.239 154 D C -2.275 174.288 176.300 0.439 0.000 1.142 154 D CA -1.136 53.113 54.000 0.415 0.000 0.847 154 D CB 1.573 42.735 40.800 0.603 0.000 1.082 154 D HN 0.525 nan 8.370 nan 0.000 0.480 155 P HA 0.165 nan 4.420 nan 0.000 0.280 155 P C -0.770 176.748 177.300 0.363 0.000 1.300 155 P CA -0.479 62.788 63.100 0.279 0.000 0.785 155 P CB 0.249 32.047 31.700 0.163 0.000 0.874 156 W N 2.069 123.443 121.300 0.124 0.000 2.578 156 W HA 0.309 4.972 4.660 0.006 0.000 0.346 156 W C 0.685 177.324 176.519 0.200 0.000 1.075 156 W CA -0.282 57.187 57.345 0.206 0.000 1.233 156 W CB 0.769 30.316 29.460 0.144 0.000 1.358 156 W HN 0.251 nan 8.180 nan 0.000 0.574 157 T N 0.083 114.915 114.554 0.464 0.000 2.939 157 T HA -0.117 4.237 4.350 0.006 0.000 0.312 157 T C 0.972 175.807 174.700 0.225 0.000 1.064 157 T CA -0.189 62.040 62.100 0.214 0.000 1.136 157 T CB 0.528 69.401 68.868 0.008 0.000 1.035 157 T HN 0.529 nan 8.240 nan 0.000 0.538 158 I N 2.344 122.988 120.570 0.123 0.000 2.756 158 I HA 0.070 4.244 4.170 0.006 0.000 0.262 158 I C 1.873 178.024 176.117 0.057 0.000 1.225 158 I CA 1.579 62.926 61.300 0.078 0.000 1.472 158 I CB -0.927 37.097 38.000 0.039 0.000 1.094 158 I HN 1.205 nan 8.210 nan 0.000 0.454 159 G N 0.419 109.249 108.800 0.049 0.000 4.026 159 G HA2 -0.386 3.577 3.960 0.006 0.000 0.309 159 G HA3 -0.386 3.577 3.960 0.006 0.000 0.309 159 G C -0.043 174.952 174.900 0.158 0.000 1.411 159 G CA 0.512 45.596 45.100 -0.027 0.000 1.037 159 G HN 0.438 nan 8.290 nan 0.000 0.687 160 Y N 1.993 122.325 120.300 0.053 0.000 2.442 160 Y HA 0.603 5.157 4.550 0.006 0.000 0.330 160 Y C -2.054 173.902 175.900 0.093 0.000 1.100 160 Y CA -0.616 57.538 58.100 0.092 0.000 1.034 160 Y CB 2.221 40.733 38.460 0.087 0.000 1.285 160 Y HN 0.480 nan 8.280 nan 0.000 0.440 161 D N 5.509 125.510 120.400 -0.666 0.000 2.620 161 D HA 0.115 4.758 4.640 0.006 0.000 0.252 161 D C 0.537 176.382 176.300 -0.758 0.000 1.207 161 D CA -0.241 53.474 54.000 -0.476 0.000 0.884 161 D CB 1.477 42.285 40.800 0.013 0.000 1.262 161 D HN 0.865 nan 8.370 nan 0.000 0.552 162 E N 3.727 123.528 120.200 -0.666 0.000 2.401 162 E HA -0.177 4.176 4.350 0.006 0.000 0.199 162 E C 0.814 177.208 176.600 -0.345 0.000 1.023 162 E CA 0.582 56.753 56.400 -0.383 0.000 0.859 162 E CB 0.022 29.682 29.700 -0.066 0.000 0.780 162 E HN 0.465 nan 8.360 nan 0.000 0.523 163 R N -0.622 119.571 120.500 -0.512 0.000 2.148 163 R HA 0.014 4.358 4.340 0.006 0.000 0.223 163 R C 1.363 177.099 176.300 -0.940 0.000 1.088 163 R CA 1.396 56.960 56.100 -0.893 0.000 0.985 163 R CB 0.026 29.403 30.300 -1.538 0.000 0.880 163 R HN 0.353 nan 8.270 nan 0.000 0.451 164 W N -0.703 120.490 121.300 -0.178 0.000 2.592 164 W HA 0.320 4.984 4.660 0.006 0.000 0.306 164 W C 1.008 177.477 176.519 -0.083 0.000 0.991 164 W CA 0.405 57.680 57.345 -0.117 0.000 1.430 164 W CB -0.018 29.382 29.460 -0.100 0.000 1.017 164 W HN 0.220 nan 8.180 nan 0.000 0.557 165 G N 2.182 111.005 108.800 0.039 0.000 2.611 165 G HA2 -0.425 3.539 3.960 0.006 0.000 0.301 165 G HA3 -0.425 3.539 3.960 0.006 0.000 0.301 165 G C 0.762 175.772 174.900 0.183 0.000 1.233 165 G CA 2.130 47.312 45.100 0.137 0.000 0.993 165 G HN 0.146 nan 8.290 nan 0.000 0.553 166 T N -1.687 112.979 114.554 0.187 0.000 3.145 166 T HA 0.499 4.852 4.350 0.006 0.000 0.255 166 T C 2.009 176.774 174.700 0.107 0.000 1.039 166 T CA 1.045 63.235 62.100 0.150 0.000 0.928 166 T CB 0.663 69.621 68.868 0.150 0.000 1.029 166 T HN 1.557 nan 8.240 nan 0.000 0.554 167 G N 1.477 110.348 108.800 0.119 0.000 2.484 167 G HA2 0.106 4.069 3.960 0.006 0.000 0.218 167 G HA3 0.106 4.069 3.960 0.006 0.000 0.218 167 G C 0.398 175.342 174.900 0.074 0.000 1.130 167 G CA 0.053 45.211 45.100 0.098 0.000 0.784 167 G HN 0.499 nan 8.290 nan 0.000 0.543 168 K N -0.890 119.549 120.400 0.065 0.000 2.435 168 K HA 0.454 4.777 4.320 0.006 0.000 0.251 168 K C -0.813 175.783 176.600 -0.006 0.000 0.954 168 K CA -0.932 55.357 56.287 0.003 0.000 0.820 168 K CB 2.327 34.788 32.500 -0.066 0.000 1.292 168 K HN -0.022 nan 8.250 nan 0.000 0.436 169 R N 3.001 123.488 120.500 -0.021 0.000 2.202 169 R HA 0.336 4.679 4.340 0.006 0.000 0.334 169 R C -1.107 175.171 176.300 -0.037 0.000 1.036 169 R CA -0.200 55.893 56.100 -0.012 0.000 0.878 169 R CB 0.141 30.436 30.300 -0.009 0.000 1.067 169 R HN 0.495 nan 8.270 nan 0.000 0.457 170 L N 3.851 125.055 121.223 -0.030 0.000 2.354 170 L HA 0.468 4.812 4.340 0.006 0.000 0.269 170 L C -0.361 176.506 176.870 -0.004 0.000 1.005 170 L CA -0.984 53.817 54.840 -0.065 0.000 0.819 170 L CB 2.385 44.361 42.059 -0.139 0.000 1.311 170 L HN 0.604 nan 8.230 nan 0.000 0.423 171 Q N 1.574 121.374 119.800 0.001 0.000 2.399 171 Q HA 0.457 4.800 4.340 0.006 0.000 0.276 171 Q C -1.328 174.701 176.000 0.047 0.000 1.098 171 Q CA -0.878 54.965 55.803 0.067 0.000 0.827 171 Q CB 2.943 31.739 28.738 0.097 0.000 1.386 171 Q HN 0.530 nan 8.270 nan 0.000 0.443 172 Q N -0.158 119.700 119.800 0.097 0.000 2.312 172 Q HA 0.775 5.119 4.340 0.006 0.000 0.263 172 Q C -1.407 174.639 176.000 0.075 0.000 0.995 172 Q CA -1.005 54.829 55.803 0.051 0.000 0.853 172 Q CB 1.775 30.513 28.738 -0.001 0.000 1.300 172 Q HN 0.546 nan 8.270 nan 0.000 0.448 173 A N 4.763 127.606 122.820 0.038 0.000 2.253 173 A HA 0.445 4.769 4.320 0.006 0.000 0.316 173 A C -0.378 177.178 177.584 -0.047 0.000 1.327 173 A CA -0.804 51.263 52.037 0.051 0.000 0.917 173 A CB 0.330 19.368 19.000 0.064 0.000 1.162 173 A HN 0.820 nan 8.150 nan 0.000 0.535 174 L N 3.906 125.094 121.223 -0.059 0.000 2.325 174 L HA 0.272 4.616 4.340 0.006 0.000 0.284 174 L C -0.451 176.310 176.870 -0.182 0.000 1.089 174 L CA -0.445 54.284 54.840 -0.185 0.000 0.836 174 L CB 0.840 42.769 42.059 -0.216 0.000 1.184 174 L HN 0.389 nan 8.230 nan 0.000 0.444 175 V N 4.382 124.038 119.914 -0.430 0.000 2.481 175 V HA 0.403 4.527 4.120 0.006 0.000 0.286 175 V C -0.475 175.256 176.094 -0.605 0.000 1.042 175 V CA -0.384 61.688 62.300 -0.379 0.000 0.928 175 V CB 1.268 32.785 31.823 -0.509 0.000 0.986 175 V HN 0.438 nan 8.190 nan 0.000 0.462 176 Y N 2.798 123.100 120.300 0.002 0.000 2.634 176 Y HA 0.640 5.193 4.550 0.006 0.000 0.340 176 Y C -0.811 175.207 175.900 0.196 0.000 1.058 176 Y CA -0.979 57.150 58.100 0.047 0.000 1.081 176 Y CB 1.985 40.394 38.460 -0.085 0.000 1.295 176 Y HN 0.589 nan 8.280 nan 0.000 0.487 177 Y N 1.026 121.492 120.300 0.277 0.000 2.442 177 Y HA 0.679 5.233 4.550 0.006 0.000 0.344 177 Y C -1.214 174.819 175.900 0.220 0.000 0.976 177 Y CA -1.337 56.905 58.100 0.237 0.000 1.040 177 Y CB 1.407 39.987 38.460 0.201 0.000 1.228 177 Y HN 0.544 nan 8.280 nan 0.000 0.451 178 R N 3.624 123.754 120.500 -0.617 0.000 2.437 178 R HA 0.350 4.694 4.340 0.006 0.000 0.310 178 R C 0.359 175.962 176.300 -1.161 0.000 0.955 178 R CA -0.558 55.033 56.100 -0.848 0.000 0.851 178 R CB 1.935 31.829 30.300 -0.676 0.000 1.161 178 R HN 0.819 nan 8.270 nan 0.000 0.446 179 S N 0.913 115.979 115.700 -1.057 0.000 2.428 179 S HA -0.105 4.369 4.470 0.006 0.000 0.230 179 S C 0.269 174.650 174.600 -0.365 0.000 1.014 179 S CA 1.052 58.933 58.200 -0.531 0.000 0.957 179 S CB -0.047 63.018 63.200 -0.226 0.000 0.784 179 S HN 0.658 nan 8.310 nan 0.000 0.499 180 D N -0.713 119.429 120.400 -0.431 0.000 2.756 180 D HA 0.193 4.837 4.640 0.006 0.000 0.226 180 D C 0.598 176.730 176.300 -0.279 0.000 1.186 180 D CA -0.547 53.300 54.000 -0.256 0.000 0.845 180 D CB 1.132 41.817 40.800 -0.192 0.000 1.610 180 D HN 0.059 nan 8.370 nan 0.000 0.465 181 E N 1.265 121.372 120.200 -0.156 0.000 2.265 181 E HA -0.203 4.150 4.350 0.006 0.000 0.196 181 E C 0.148 176.615 176.600 -0.222 0.000 0.996 181 E CA 0.981 57.298 56.400 -0.137 0.000 0.832 181 E CB 0.019 29.707 29.700 -0.021 0.000 0.756 181 E HN 0.370 nan 8.360 nan 0.000 0.491 182 D N 1.219 121.487 120.400 -0.220 0.000 2.340 182 D HA 0.025 4.669 4.640 0.006 0.000 0.220 182 D C -0.230 175.903 176.300 -0.280 0.000 1.039 182 D CA 0.246 54.099 54.000 -0.246 0.000 0.866 182 D CB -0.112 40.560 40.800 -0.215 0.000 0.913 182 D HN 0.148 nan 8.370 nan 0.000 0.523 183 D N 0.240 120.415 120.400 -0.375 0.000 2.400 183 D HA -0.015 4.629 4.640 0.006 0.000 0.238 183 D C 0.201 176.250 176.300 -0.418 0.000 1.157 183 D CA 0.329 54.034 54.000 -0.492 0.000 0.889 183 D CB 0.822 41.174 40.800 -0.746 0.000 1.199 183 D HN -0.198 nan 8.370 nan 0.000 0.436 184 S N 0.332 115.808 115.700 -0.374 0.000 2.465 184 S HA 0.031 4.504 4.470 0.006 0.000 0.279 184 S C 1.188 175.741 174.600 -0.079 0.000 1.201 184 S CA -0.631 57.455 58.200 -0.189 0.000 1.053 184 S CB 0.521 63.652 63.200 -0.114 0.000 0.953 184 S HN 0.383 nan 8.310 nan 0.000 0.488 185 Q N 4.237 123.879 119.800 -0.263 0.000 2.436 185 Q HA -0.113 4.231 4.340 0.006 0.000 0.209 185 Q C 0.323 176.213 176.000 -0.183 0.000 0.965 185 Q CA 1.342 56.980 55.803 -0.275 0.000 0.910 185 Q CB -0.418 27.991 28.738 -0.549 0.000 0.980 185 Q HN 0.899 nan 8.270 nan 0.000 0.491 186 Y N 1.931 122.226 120.300 -0.008 0.000 2.571 186 Y HA -0.051 4.503 4.550 0.006 0.000 0.294 186 Y C 2.511 178.627 175.900 0.361 0.000 1.141 186 Y CA 1.068 59.208 58.100 0.068 0.000 1.308 186 Y CB 0.130 38.621 38.460 0.052 0.000 1.002 186 Y HN 0.329 nan 8.280 nan 0.000 0.551 187 S N -1.603 114.376 115.700 0.465 0.000 2.561 187 S HA -0.075 4.399 4.470 0.006 0.000 0.225 187 S C 0.176 174.843 174.600 0.111 0.000 0.977 187 S CA 0.542 58.960 58.200 0.364 0.000 0.926 187 S CB -0.446 62.876 63.200 0.203 0.000 0.769 187 S HN 0.464 nan 8.310 nan 0.000 0.533 188 H N 1.909 121.070 119.070 0.150 0.000 2.535 188 H HA 0.421 4.980 4.556 0.006 0.000 0.232 188 H C -2.839 172.616 175.328 0.211 0.000 1.405 188 H CA -1.889 54.242 56.048 0.138 0.000 1.224 188 H CB 0.550 30.386 29.762 0.123 0.000 1.763 188 H HN 0.330 nan 8.280 nan 0.000 0.529 189 P HA 0.014 nan 4.420 nan 0.000 0.271 189 P C 0.066 177.221 177.300 -0.242 0.000 1.218 189 P CA 0.029 63.017 63.100 -0.187 0.000 0.780 189 P CB 1.711 33.279 31.700 -0.220 0.000 0.901 190 L N 1.993 123.001 121.223 -0.359 0.000 2.416 190 L HA 0.246 4.589 4.340 0.006 0.000 0.263 190 L C 1.751 178.420 176.870 -0.334 0.000 1.065 190 L CA -0.463 54.186 54.840 -0.319 0.000 0.798 190 L CB 0.532 42.347 42.059 -0.406 0.000 1.267 190 L HN 0.369 nan 8.230 nan 0.000 0.467 191 D N -0.656 119.659 120.400 -0.141 0.000 2.348 191 D HA -0.020 4.624 4.640 0.006 0.000 0.211 191 D C 0.061 176.520 176.300 0.266 0.000 0.998 191 D CA 0.220 54.248 54.000 0.047 0.000 0.873 191 D CB -0.033 40.823 40.800 0.093 0.000 0.925 191 D HN 0.248 nan 8.370 nan 0.000 0.524 192 F N -0.923 119.090 119.950 0.104 0.000 2.575 192 F HA 0.634 5.165 4.527 0.006 0.000 0.330 192 F C -0.732 175.094 175.800 0.043 0.000 1.056 192 F CA -2.034 56.011 58.000 0.076 0.000 0.964 192 F CB 1.435 40.452 39.000 0.029 0.000 1.258 192 F HN -0.138 nan 8.300 nan 0.000 0.484 193 C N 3.769 123.204 119.300 0.225 0.000 2.654 193 C HA 0.584 5.048 4.460 0.006 0.000 0.315 193 C C -2.812 172.283 174.990 0.175 0.000 1.054 193 C CA -2.085 56.980 59.018 0.078 0.000 1.419 193 C CB -0.049 27.679 27.740 -0.020 0.000 1.889 193 C HN 0.663 nan 8.230 nan 0.000 0.447 194 P HA 0.247 nan 4.420 nan 0.000 0.268 194 P C -0.595 176.758 177.300 0.090 0.000 1.205 194 P CA 0.141 63.334 63.100 0.155 0.000 0.771 194 P CB 0.371 32.164 31.700 0.155 0.000 0.858 195 I N 3.595 124.209 120.570 0.073 0.000 2.378 195 I HA 0.289 4.463 4.170 0.006 0.000 0.291 195 I C -0.138 175.933 176.117 -0.077 0.000 0.992 195 I CA -0.657 60.628 61.300 -0.025 0.000 1.154 195 I CB 1.398 39.332 38.000 -0.109 0.000 1.315 195 I HN 0.033 nan 8.210 nan 0.000 0.448 196 V N 4.970 124.836 119.914 -0.080 0.000 2.487 196 V HA 0.275 4.398 4.120 0.006 0.000 0.298 196 V C -0.047 175.990 176.094 -0.094 0.000 1.028 196 V CA -0.811 61.452 62.300 -0.062 0.000 0.860 196 V CB 2.278 34.096 31.823 -0.007 0.000 0.991 196 V HN 0.632 nan 8.190 nan 0.000 0.427 197 D N 3.172 123.513 120.400 -0.099 0.000 2.338 197 D HA 0.098 4.742 4.640 0.006 0.000 0.255 197 D C 1.197 177.469 176.300 -0.047 0.000 1.237 197 D CA 0.197 54.142 54.000 -0.092 0.000 0.883 197 D CB 1.807 42.552 40.800 -0.090 0.000 1.087 197 D HN 0.611 nan 8.370 nan 0.000 0.485 198 T N 3.437 117.970 114.554 -0.034 0.000 2.788 198 T HA -0.128 4.226 4.350 0.006 0.000 0.268 198 T C 1.366 176.058 174.700 -0.013 0.000 1.044 198 T CA 0.953 63.046 62.100 -0.011 0.000 1.139 198 T CB 0.258 69.126 68.868 0.001 0.000 0.867 198 T HN 0.429 nan 8.240 nan 0.000 0.454 199 E N 0.738 120.925 120.200 -0.021 0.000 2.140 199 E HA 0.027 4.380 4.350 0.006 0.000 0.191 199 E C 2.231 178.819 176.600 -0.020 0.000 0.973 199 E CA 0.588 56.975 56.400 -0.021 0.000 0.829 199 E CB -0.074 29.611 29.700 -0.026 0.000 0.781 199 E HN 0.429 nan 8.360 nan 0.000 0.466 200 E N 0.824 121.010 120.200 -0.023 0.000 2.435 200 E HA -0.000 4.353 4.350 0.006 0.000 0.195 200 E C -0.011 176.580 176.600 -0.016 0.000 1.029 200 E CA 0.069 56.457 56.400 -0.020 0.000 0.865 200 E CB 0.014 29.700 29.700 -0.023 0.000 0.833 200 E HN 0.171 nan 8.360 nan 0.000 0.510 201 K N 0.967 121.358 120.400 -0.016 0.000 3.257 201 K HA -0.234 4.089 4.320 0.006 0.000 0.270 201 K C -0.428 176.166 176.600 -0.010 0.000 0.984 201 K CA 0.825 57.106 56.287 -0.009 0.000 0.739 201 K CB -1.503 30.995 32.500 -0.004 0.000 1.351 201 K HN 0.260 nan 8.250 nan 0.000 0.463 202 K N -2.528 117.862 120.400 -0.017 0.000 2.508 202 K HA 0.554 4.878 4.320 0.006 0.000 0.260 202 K C -0.490 176.096 176.600 -0.024 0.000 0.949 202 K CA -1.222 55.055 56.287 -0.016 0.000 0.834 202 K CB 1.741 34.232 32.500 -0.015 0.000 1.365 202 K HN -0.098 nan 8.250 nan 0.000 0.437 203 V N 3.627 123.533 119.914 -0.014 0.000 2.508 203 V HA 0.098 4.221 4.120 0.006 0.000 0.281 203 V C 1.118 177.203 176.094 -0.015 0.000 1.041 203 V CA -0.106 62.186 62.300 -0.013 0.000 1.016 203 V CB 0.321 32.145 31.823 0.002 0.000 0.984 203 V HN 0.885 nan 8.190 nan 0.000 0.478 204 I N 1.500 122.051 120.570 -0.030 0.000 4.035 204 I HA 0.529 4.702 4.170 0.006 0.000 0.321 204 I C 0.166 176.384 176.117 0.168 0.000 1.289 204 I CA 0.518 61.820 61.300 0.004 0.000 1.236 204 I CB 0.461 38.385 38.000 -0.126 0.000 1.076 204 I HN 0.455 nan 8.210 nan 0.000 0.418 205 F N 0.983 120.909 119.950 -0.039 0.000 2.703 205 F HA 0.628 5.159 4.527 0.006 0.000 0.308 205 F C -1.825 174.013 175.800 0.062 0.000 1.126 205 F CA -0.893 57.147 58.000 0.066 0.000 0.959 205 F CB 1.920 41.049 39.000 0.214 0.000 1.297 205 F HN -0.258 nan 8.300 nan 0.000 0.441 206 I N 3.698 124.060 120.570 -0.347 0.000 2.447 206 I HA 0.270 4.444 4.170 0.006 0.000 0.287 206 I C -1.266 174.836 176.117 -0.026 0.000 1.023 206 I CA -0.832 60.424 61.300 -0.073 0.000 1.083 206 I CB 1.677 39.609 38.000 -0.115 0.000 1.245 206 I HN 0.360 nan 8.210 nan 0.000 0.434 207 D N 7.643 128.224 120.400 0.302 0.000 2.358 207 D HA 0.370 5.014 4.640 0.006 0.000 0.258 207 D C -0.248 176.195 176.300 0.239 0.000 1.223 207 D CA 0.473 54.695 54.000 0.370 0.000 0.886 207 D CB 1.365 42.409 40.800 0.406 0.000 1.120 207 D HN 0.294 nan 8.370 nan 0.000 0.482 208 I N 4.692 125.366 120.570 0.172 0.000 2.406 208 I HA 0.222 4.395 4.170 0.006 0.000 0.290 208 I C -1.899 174.300 176.117 0.137 0.000 0.999 208 I CA -1.888 59.493 61.300 0.136 0.000 1.124 208 I CB 2.057 40.072 38.000 0.025 0.000 1.289 208 I HN 0.106 nan 8.210 nan 0.000 0.441 209 P HA 0.218 nan 4.420 nan 0.000 0.274 209 P C -0.139 177.218 177.300 0.096 0.000 1.237 209 P CA -0.344 62.843 63.100 0.146 0.000 0.793 209 P CB 0.955 32.775 31.700 0.199 0.000 0.977 210 N N 0.457 119.203 118.700 0.076 0.000 2.120 210 N HA -0.099 4.645 4.740 0.006 0.000 0.188 210 N C 0.923 176.464 175.510 0.052 0.000 1.024 210 N CA 1.124 54.204 53.050 0.049 0.000 0.852 210 N CB -0.132 38.377 38.487 0.037 0.000 1.003 210 N HN 0.390 nan 8.380 nan 0.000 0.424 211 R N 2.055 122.598 120.500 0.071 0.000 2.207 211 R HA 0.150 4.493 4.340 0.006 0.000 0.334 211 R C -0.608 175.737 176.300 0.075 0.000 1.013 211 R CA -0.469 55.670 56.100 0.065 0.000 0.858 211 R CB 0.534 30.876 30.300 0.071 0.000 1.094 211 R HN -0.026 nan 8.270 nan 0.000 0.457 212 R N 3.267 123.799 120.500 0.054 0.000 2.441 212 R HA 0.261 4.604 4.340 0.006 0.000 0.284 212 R C -0.285 176.038 176.300 0.038 0.000 1.070 212 R CA -0.512 55.621 56.100 0.055 0.000 1.047 212 R CB 0.593 30.915 30.300 0.036 0.000 1.016 212 R HN 0.457 nan 8.270 nan 0.000 0.477 213 R N 1.412 121.931 120.500 0.032 0.000 2.483 213 R HA 0.296 4.639 4.340 0.006 0.000 0.303 213 R C -0.329 175.963 176.300 -0.014 0.000 0.987 213 R CA -0.461 55.635 56.100 -0.007 0.000 0.881 213 R CB 1.752 32.023 30.300 -0.047 0.000 1.177 213 R HN 0.367 nan 8.270 nan 0.000 0.451 214 K N 0.877 121.267 120.400 -0.017 0.000 2.180 214 K HA 0.204 4.528 4.320 0.006 0.000 0.251 214 K C 0.067 176.639 176.600 -0.046 0.000 1.014 214 K CA -0.629 55.645 56.287 -0.021 0.000 0.913 214 K CB 1.066 33.550 32.500 -0.026 0.000 1.008 214 K HN 0.208 nan 8.250 nan 0.000 0.490 215 V N 1.965 121.845 119.914 -0.058 0.000 2.720 215 V HA -0.101 4.023 4.120 0.006 0.000 0.307 215 V C 0.329 176.397 176.094 -0.043 0.000 1.071 215 V CA 0.528 62.786 62.300 -0.070 0.000 1.199 215 V CB 1.121 32.839 31.823 -0.176 0.000 0.900 215 V HN 0.846 nan 8.190 nan 0.000 0.494 216 S N 5.984 121.663 115.700 -0.036 0.000 2.552 216 S HA 0.108 4.582 4.470 0.006 0.000 0.289 216 S C 0.870 175.523 174.600 0.089 0.000 1.304 216 S CA -0.226 57.951 58.200 -0.039 0.000 1.063 216 S CB 0.400 63.439 63.200 -0.269 0.000 0.848 216 S HN 0.809 nan 8.310 nan 0.000 0.499 217 K N 2.951 123.348 120.400 -0.004 0.000 2.404 217 K HA 0.122 4.445 4.320 0.006 0.000 0.194 217 K C 0.378 176.982 176.600 0.006 0.000 1.023 217 K CA 0.126 56.412 56.287 -0.002 0.000 1.094 217 K CB -0.222 32.218 32.500 -0.099 0.000 0.841 217 K HN 0.686 nan 8.250 nan 0.000 0.523 218 H N 1.774 120.938 119.070 0.157 0.000 2.757 218 H HA 0.097 4.656 4.556 0.006 0.000 0.370 218 H C 0.328 175.861 175.328 0.341 0.000 1.172 218 H CA 0.340 56.496 56.048 0.180 0.000 1.426 218 H CB 0.677 30.484 29.762 0.075 0.000 1.438 218 H HN -0.144 nan 8.280 nan 0.000 0.612 219 K N 1.240 121.890 120.400 0.416 0.000 2.440 219 K HA -0.027 4.296 4.320 0.006 0.000 0.270 219 K C -0.080 176.794 176.600 0.457 0.000 0.980 219 K CA 0.121 56.630 56.287 0.370 0.000 0.953 219 K CB 0.181 32.852 32.500 0.285 0.000 0.925 219 K HN 0.469 nan 8.250 nan 0.000 0.497 220 H N 0.095 119.279 119.070 0.189 0.000 2.790 220 H HA 0.111 4.671 4.556 0.006 0.000 0.358 220 H C -0.173 175.138 175.328 -0.028 0.000 1.103 220 H CA 0.346 56.453 56.048 0.097 0.000 1.426 220 H CB 0.716 30.383 29.762 -0.158 0.000 1.424 220 H HN 0.636 nan 8.280 nan 0.000 0.599 221 A N 4.202 126.939 122.820 -0.138 0.000 2.506 221 A HA 0.228 4.552 4.320 0.006 0.000 0.320 221 A C -0.096 177.324 177.584 -0.274 0.000 1.424 221 A CA -0.654 51.173 52.037 -0.350 0.000 1.044 221 A CB -0.462 18.076 19.000 -0.770 0.000 1.140 221 A HN 0.660 nan 8.150 nan 0.000 0.538 222 N N 0.828 119.383 118.700 -0.242 0.000 2.483 222 N HA 0.679 5.423 4.740 0.006 0.000 0.285 222 N C -0.194 175.230 175.510 -0.143 0.000 1.210 222 N CA -0.430 52.360 53.050 -0.433 0.000 0.931 222 N CB 1.307 39.211 38.487 -0.972 0.000 1.220 222 N HN 0.572 nan 8.380 nan 0.000 0.542 223 F N -2.355 117.600 119.950 0.008 0.000 2.974 223 F HA 0.447 4.977 4.527 0.006 0.000 0.357 223 F C -0.442 175.404 175.800 0.077 0.000 1.114 223 F CA -0.749 57.261 58.000 0.016 0.000 1.099 223 F CB -0.567 38.359 39.000 -0.123 0.000 1.205 223 F HN 0.186 nan 8.300 nan 0.000 0.535 224 Y N 2.628 123.069 120.300 0.236 0.000 2.314 224 Y HA 0.355 4.909 4.550 0.006 0.000 0.334 224 Y C -1.065 174.868 175.900 0.054 0.000 1.266 224 Y CA -1.626 56.562 58.100 0.147 0.000 1.391 224 Y CB 0.190 38.638 38.460 -0.020 0.000 1.306 224 Y HN -0.233 nan 8.280 nan 0.000 0.558 225 P HA -0.271 nan 4.420 nan 0.000 0.216 225 P C 1.119 178.429 177.300 0.018 0.000 1.157 225 P CA 2.718 65.862 63.100 0.072 0.000 0.880 225 P CB 0.117 31.852 31.700 0.058 0.000 0.791 226 K N -0.914 119.442 120.400 -0.073 0.000 2.103 226 K HA -0.217 4.107 4.320 0.006 0.000 0.207 226 K C 1.721 178.252 176.600 -0.116 0.000 1.048 226 K CA 1.773 57.972 56.287 -0.147 0.000 0.930 226 K CB -1.200 31.150 32.500 -0.251 0.000 0.716 226 K HN 0.272 nan 8.250 nan 0.000 0.444 227 H N -0.023 119.068 119.070 0.035 0.000 2.363 227 H HA 0.070 4.630 4.556 0.006 0.000 0.301 227 H C 2.131 177.483 175.328 0.040 0.000 1.074 227 H CA 1.383 57.445 56.048 0.022 0.000 1.354 227 H CB 0.064 29.827 29.762 0.001 0.000 1.397 227 H HN 0.082 nan 8.280 nan 0.000 0.516 228 M N 0.191 119.891 119.600 0.165 0.000 2.175 228 M HA -0.092 4.392 4.480 0.006 0.000 0.264 228 M C 2.267 178.615 176.300 0.080 0.000 1.063 228 M CA 1.181 56.550 55.300 0.115 0.000 1.119 228 M CB -0.609 32.050 32.600 0.098 0.000 1.377 228 M HN 0.314 nan 8.290 nan 0.000 0.415 229 I N 0.236 120.842 120.570 0.060 0.000 2.208 229 I HA -0.305 3.869 4.170 0.006 0.000 0.245 229 I C 2.207 178.353 176.117 0.049 0.000 1.097 229 I CA 1.361 62.686 61.300 0.042 0.000 1.363 229 I CB -0.350 37.663 38.000 0.022 0.000 1.051 229 I HN 0.382 nan 8.210 nan 0.000 0.413 230 E N 0.502 120.738 120.200 0.061 0.000 2.106 230 E HA -0.263 4.091 4.350 0.006 0.000 0.192 230 E C 2.101 178.746 176.600 0.075 0.000 0.984 230 E CA 1.083 57.523 56.400 0.067 0.000 0.806 230 E CB -0.040 29.709 29.700 0.081 0.000 0.750 230 E HN 0.397 nan 8.360 nan 0.000 0.458 231 K N 0.820 121.272 120.400 0.088 0.000 2.044 231 K HA -0.074 4.249 4.320 0.006 0.000 0.204 231 K C 1.884 178.529 176.600 0.075 0.000 1.049 231 K CA 1.336 57.677 56.287 0.091 0.000 0.945 231 K CB 0.408 32.970 32.500 0.104 0.000 0.724 231 K HN 0.133 nan 8.250 nan 0.000 0.440 232 V N -3.740 116.214 119.914 0.066 0.000 3.477 232 V HA 0.491 4.615 4.120 0.006 0.000 0.297 232 V C 0.785 176.905 176.094 0.044 0.000 1.433 232 V CA 0.395 62.727 62.300 0.055 0.000 1.052 232 V CB 0.315 32.169 31.823 0.053 0.000 0.895 232 V HN 0.489 nan 8.190 nan 0.000 0.438 233 G N 0.141 108.967 108.800 0.044 0.000 2.345 233 G HA2 0.161 4.124 3.960 0.006 0.000 0.218 233 G HA3 0.161 4.124 3.960 0.006 0.000 0.218 233 G C 0.361 175.279 174.900 0.030 0.000 1.058 233 G CA -0.001 45.120 45.100 0.035 0.000 0.632 233 G HN 2.091 nan 8.290 nan 0.000 0.508 234 A N -0.028 122.810 122.820 0.030 0.000 2.605 234 A HA 0.739 5.062 4.320 0.006 0.000 0.294 234 A C -0.313 177.287 177.584 0.027 0.000 1.062 234 A CA -0.148 51.905 52.037 0.025 0.000 0.682 234 A CB 0.818 19.830 19.000 0.020 0.000 1.278 234 A HN 0.563 nan 8.150 nan 0.000 0.410 235 M N 1.243 120.857 119.600 0.024 0.000 2.228 235 M HA 0.320 4.804 4.480 0.006 0.000 0.326 235 M C 0.749 177.060 176.300 0.018 0.000 1.122 235 M CA 0.072 55.385 55.300 0.023 0.000 1.161 235 M CB 0.221 32.834 32.600 0.021 0.000 1.437 235 M HN 0.776 nan 8.290 nan 0.000 0.465 236 R N 1.067 121.576 120.500 0.015 0.000 2.679 236 R HA 0.238 4.582 4.340 0.006 0.000 0.268 236 R C -2.043 174.263 176.300 0.009 0.000 1.044 236 R CA -1.261 54.846 56.100 0.011 0.000 1.105 236 R CB -0.684 29.622 30.300 0.009 0.000 0.989 236 R HN 0.382 nan 8.270 nan 0.000 0.447 237 P HA -0.051 nan 4.420 nan 0.000 0.267 237 P C -0.568 176.735 177.300 0.005 0.000 1.200 237 P CA -0.142 62.962 63.100 0.007 0.000 0.772 237 P CB 0.458 32.161 31.700 0.006 0.000 0.855 238 E N 1.597 121.800 120.200 0.005 0.000 2.465 238 E HA 0.247 4.600 4.350 0.006 0.000 0.260 238 E C -0.331 176.270 176.600 0.002 0.000 0.980 238 E CA 0.017 56.419 56.400 0.003 0.000 0.927 238 E CB 0.027 29.729 29.700 0.004 0.000 0.934 238 E HN 0.482 nan 8.360 nan 0.000 0.459 239 A N 5.924 128.744 122.820 0.001 0.000 2.351 239 A HA 0.417 4.741 4.320 0.006 0.000 0.257 239 A C -1.971 175.613 177.584 -0.000 0.000 1.087 239 A CA -1.212 50.825 52.037 -0.000 0.000 0.798 239 A CB -0.276 18.723 19.000 -0.002 0.000 1.033 239 A HN 0.683 nan 8.150 nan 0.000 0.488 240 P HA 0.200 nan 4.420 nan 0.000 0.266 240 P C -2.444 174.856 177.300 -0.000 0.000 1.195 240 P CA -0.567 62.533 63.100 0.000 0.000 0.768 240 P CB -0.400 31.300 31.700 0.000 0.000 0.838 241 P HA 0.302 nan 4.420 nan 0.000 0.275 241 P C -0.493 176.807 177.300 -0.000 0.000 1.228 241 P CA -0.059 63.040 63.100 -0.000 0.000 0.786 241 P CB 0.879 32.580 31.700 0.001 0.000 0.927 242 I N 2.800 123.370 120.570 -0.001 0.000 2.359 242 I HA 0.213 4.387 4.170 0.006 0.000 0.284 242 I C 0.096 176.214 176.117 0.001 0.000 1.018 242 I CA -0.567 60.733 61.300 -0.000 0.000 1.173 242 I CB 0.576 38.575 38.000 -0.002 0.000 1.326 242 I HN 0.133 nan 8.210 nan 0.000 0.462 243 N N 6.335 125.037 118.700 0.003 0.000 2.422 243 N HA 0.339 5.083 4.740 0.006 0.000 0.266 243 N C -0.671 174.844 175.510 0.008 0.000 1.007 243 N CA -0.314 52.739 53.050 0.005 0.000 0.941 243 N CB 2.499 40.989 38.487 0.005 0.000 1.115 243 N HN 0.182 nan 8.380 nan 0.000 0.492 244 V N 2.000 121.921 119.914 0.011 0.000 2.370 244 V HA 0.468 4.591 4.120 0.006 0.000 0.283 244 V C 0.415 176.521 176.094 0.020 0.000 1.023 244 V CA -0.612 61.699 62.300 0.017 0.000 0.857 244 V CB 1.151 32.988 31.823 0.023 0.000 0.985 244 V HN 0.753 nan 8.190 nan 0.000 0.443 245 T N 1.985 116.551 114.554 0.021 0.000 2.908 245 T HA 0.671 5.024 4.350 0.006 0.000 0.290 245 T C -0.611 174.104 174.700 0.025 0.000 1.034 245 T CA -0.844 61.268 62.100 0.020 0.000 1.010 245 T CB 2.181 71.056 68.868 0.013 0.000 1.068 245 T HN 0.529 nan 8.240 nan 0.000 0.481 246 Q N 1.576 121.390 119.800 0.023 0.000 2.965 246 Q HA 0.268 4.611 4.340 0.006 0.000 0.288 246 Q C -1.873 174.132 176.000 0.008 0.000 0.974 246 Q CA -1.902 53.914 55.803 0.022 0.000 0.849 246 Q CB 1.423 30.180 28.738 0.032 0.000 1.280 246 Q HN 0.566 nan 8.270 nan 0.000 0.441 247 P HA -0.141 nan 4.420 nan 0.000 0.226 247 P C 0.039 177.337 177.300 -0.004 0.000 1.153 247 P CA 1.024 64.125 63.100 0.002 0.000 0.777 247 P CB 0.475 32.178 31.700 0.004 0.000 0.794 248 E N -0.289 119.908 120.200 -0.005 0.000 2.569 248 E HA 0.368 4.722 4.350 0.006 0.000 0.205 248 E C 0.858 177.442 176.600 -0.026 0.000 1.006 248 E CA -0.092 56.301 56.400 -0.012 0.000 0.985 248 E CB 0.250 29.945 29.700 -0.007 0.000 1.060 248 E HN 0.169 nan 8.360 nan 0.000 0.460 249 G N 0.773 109.555 108.800 -0.031 0.000 2.584 249 G HA2 -0.253 3.711 3.960 0.006 0.000 0.229 249 G HA3 -0.253 3.711 3.960 0.006 0.000 0.229 249 G C -0.149 174.704 174.900 -0.078 0.000 1.320 249 G CA -0.422 44.639 45.100 -0.065 0.000 0.891 249 G HN 0.477 nan 8.290 nan 0.000 0.573 250 V N -3.271 116.542 119.914 -0.170 0.000 3.113 250 V HA 0.899 5.023 4.120 0.006 0.000 0.316 250 V C 1.332 177.324 176.094 -0.170 0.000 1.125 250 V CA 0.843 63.017 62.300 -0.209 0.000 1.026 250 V CB 1.441 32.912 31.823 -0.587 0.000 1.080 250 V HN 2.340 nan 8.190 nan 0.000 0.444 251 S N 0.865 116.565 115.700 -0.001 0.000 2.503 251 S HA 0.194 4.667 4.470 0.006 0.000 0.217 251 S C 0.606 175.314 174.600 0.180 0.000 0.999 251 S CA 0.149 58.405 58.200 0.094 0.000 0.914 251 S CB -0.634 62.672 63.200 0.176 0.000 0.782 251 S HN 1.109 nan 8.310 nan 0.000 0.520 252 F N 1.671 121.780 119.950 0.264 0.000 2.380 252 F HA 0.731 5.262 4.527 0.006 0.000 0.325 252 F C -0.102 175.733 175.800 0.059 0.000 1.136 252 F CA -1.151 56.980 58.000 0.217 0.000 1.171 252 F CB 0.583 39.652 39.000 0.116 0.000 1.230 252 F HN -0.009 nan 8.300 nan 0.000 0.554 253 K N 3.655 124.211 120.400 0.261 0.000 2.535 253 K HA 0.409 4.732 4.320 0.006 0.000 0.250 253 K C -1.655 174.977 176.600 0.052 0.000 0.948 253 K CA -0.827 55.514 56.287 0.091 0.000 0.796 253 K CB 1.312 33.828 32.500 0.026 0.000 1.216 253 K HN 0.739 nan 8.250 nan 0.000 0.432 254 M N 2.605 122.205 119.600 -0.001 0.000 2.336 254 M HA 0.297 4.781 4.480 0.006 0.000 0.342 254 M C -0.751 175.505 176.300 -0.073 0.000 1.128 254 M CA -0.481 54.738 55.300 -0.135 0.000 1.016 254 M CB 1.646 34.015 32.600 -0.386 0.000 1.665 254 M HN 0.553 nan 8.290 nan 0.000 0.445 255 T N 2.202 116.711 114.554 -0.074 0.000 2.991 255 T HA 0.556 4.909 4.350 0.006 0.000 0.347 255 T C 0.750 175.445 174.700 -0.009 0.000 1.122 255 T CA 0.222 62.314 62.100 -0.013 0.000 1.062 255 T CB 1.077 69.952 68.868 0.011 0.000 1.043 255 T HN 1.025 nan 8.240 nan 0.000 0.491 256 G N 4.284 113.091 108.800 0.011 0.000 2.596 256 G HA2 -0.338 3.625 3.960 0.006 0.000 0.304 256 G HA3 -0.338 3.625 3.960 0.006 0.000 0.304 256 G C 0.803 175.662 174.900 -0.068 0.000 1.189 256 G CA 0.286 45.396 45.100 0.018 0.000 0.986 256 G HN 0.592 nan 8.290 nan 0.000 0.548 257 N N 0.569 119.188 118.700 -0.134 0.000 2.280 257 N HA 0.199 4.943 4.740 0.006 0.000 0.192 257 N C 0.410 175.650 175.510 -0.451 0.000 1.109 257 N CA 0.589 53.437 53.050 -0.337 0.000 0.855 257 N CB 0.901 39.065 38.487 -0.539 0.000 0.974 257 N HN 0.359 nan 8.380 nan 0.000 0.482 258 V N 2.414 122.162 119.914 -0.277 0.000 2.461 258 V HA 0.201 4.325 4.120 0.006 0.000 0.275 258 V C 0.302 176.198 176.094 -0.330 0.000 1.047 258 V CA -0.502 61.647 62.300 -0.252 0.000 0.955 258 V CB 1.201 32.997 31.823 -0.045 0.000 0.988 258 V HN 0.099 nan 8.190 nan 0.000 0.471 259 M N 5.335 124.593 119.600 -0.569 0.000 2.318 259 M HA 0.508 4.992 4.480 0.006 0.000 0.347 259 M C -0.516 175.504 176.300 -0.467 0.000 1.175 259 M CA 0.166 55.072 55.300 -0.657 0.000 1.075 259 M CB 1.153 32.983 32.600 -1.283 0.000 1.614 259 M HN 0.659 nan 8.290 nan 0.000 0.456 260 E N 3.643 123.730 120.200 -0.188 0.000 2.241 260 E HA 0.494 4.848 4.350 0.006 0.000 0.263 260 E C -2.219 174.478 176.600 0.162 0.000 0.882 260 E CA -0.295 56.087 56.400 -0.030 0.000 0.769 260 E CB 1.737 31.426 29.700 -0.019 0.000 1.185 260 E HN 0.761 nan 8.360 nan 0.000 0.415 261 W N 2.659 123.960 121.300 0.001 0.000 3.827 261 W HA 0.192 4.855 4.660 0.006 0.000 0.307 261 W C -0.341 176.270 176.519 0.154 0.000 1.204 261 W CA -0.408 56.993 57.345 0.093 0.000 1.250 261 W CB 1.372 30.901 29.460 0.115 0.000 1.281 261 W HN 0.455 nan 8.180 nan 0.000 0.494 262 S N 5.036 120.315 115.700 -0.702 0.000 3.559 262 S HA -0.324 4.149 4.470 0.006 0.000 0.369 262 S C 0.856 175.152 174.600 -0.506 0.000 0.987 262 S CA 1.972 59.696 58.200 -0.793 0.000 1.187 262 S CB -1.396 60.883 63.200 -1.534 0.000 0.914 262 S HN 1.077 nan 8.310 nan 0.000 0.480 263 N N -2.440 115.990 118.700 -0.450 0.000 2.967 263 N HA -0.178 4.565 4.740 0.006 0.000 0.218 263 N C -0.128 175.028 175.510 -0.588 0.000 0.870 263 N CA 1.777 54.419 53.050 -0.681 0.000 1.030 263 N CB -1.594 36.125 38.487 -1.280 0.000 1.027 263 N HN 0.579 nan 8.380 nan 0.000 0.603 264 F N 1.636 121.504 119.950 -0.137 0.000 2.429 264 F HA 0.373 4.903 4.527 0.006 0.000 0.348 264 F C 1.051 176.901 175.800 0.083 0.000 1.109 264 F CA 0.330 58.412 58.000 0.136 0.000 1.232 264 F CB 0.807 40.047 39.000 0.400 0.000 1.157 264 F HN -0.169 nan 8.300 nan 0.000 0.564 265 K N 4.353 124.968 120.400 0.359 0.000 2.482 265 K HA 0.609 4.933 4.320 0.006 0.000 0.251 265 K C -1.757 175.021 176.600 0.296 0.000 0.936 265 K CA -0.512 55.869 56.287 0.156 0.000 0.791 265 K CB 1.621 34.173 32.500 0.087 0.000 1.213 265 K HN 0.545 nan 8.250 nan 0.000 0.428 266 F N -0.322 119.644 119.950 0.027 0.000 2.741 266 F HA 0.386 4.916 4.527 0.006 0.000 0.311 266 F C -1.517 174.278 175.800 -0.008 0.000 1.149 266 F CA -1.173 56.842 58.000 0.026 0.000 0.930 266 F CB 0.979 39.966 39.000 -0.022 0.000 1.312 266 F HN 0.431 nan 8.300 nan 0.000 0.450 267 H N 2.496 121.629 119.070 0.105 0.000 2.488 267 H HA 0.547 5.107 4.556 0.006 0.000 0.322 267 H C -1.142 174.193 175.328 0.012 0.000 1.078 267 H CA -0.604 55.391 56.048 -0.088 0.000 1.260 267 H CB 1.486 31.118 29.762 -0.217 0.000 1.425 267 H HN 0.738 nan 8.280 nan 0.000 0.471 268 I N 5.555 125.867 120.570 -0.431 0.000 2.287 268 I HA 0.228 4.401 4.170 0.006 0.000 0.290 268 I C 1.041 177.005 176.117 -0.255 0.000 1.069 268 I CA -0.296 60.885 61.300 -0.199 0.000 1.237 268 I CB 1.004 38.926 38.000 -0.131 0.000 1.418 268 I HN 0.527 nan 8.210 nan 0.000 0.481 269 G N 5.143 113.961 108.800 0.030 0.000 2.552 269 G HA2 0.714 4.677 3.960 0.006 0.000 0.318 269 G HA3 0.714 4.677 3.960 0.006 0.000 0.318 269 G C -1.514 173.513 174.900 0.212 0.000 1.240 269 G CA -0.362 44.840 45.100 0.170 0.000 1.002 269 G HN 0.392 nan 8.290 nan 0.000 0.493 270 F N 0.631 120.615 119.950 0.057 0.000 2.635 270 F HA 0.459 4.990 4.527 0.006 0.000 0.314 270 F C -0.984 174.892 175.800 0.125 0.000 1.119 270 F CA -0.897 57.144 58.000 0.068 0.000 1.000 270 F CB 2.128 41.165 39.000 0.061 0.000 1.278 270 F HN 0.799 nan 8.300 nan 0.000 0.446 271 N N 2.132 120.680 118.700 -0.254 0.000 2.647 271 N HA 0.232 4.976 4.740 0.006 0.000 0.266 271 N C 0.173 175.590 175.510 -0.156 0.000 1.373 271 N CA -0.528 52.544 53.050 0.036 0.000 0.807 271 N CB 0.327 38.877 38.487 0.106 0.000 1.513 271 N HN 0.522 nan 8.380 nan 0.000 0.505 272 Y N -1.187 118.998 120.300 -0.192 0.000 2.298 272 Y HA 0.003 4.557 4.550 0.006 0.000 0.287 272 Y C 2.048 177.486 175.900 -0.769 0.000 1.164 272 Y CA 1.483 59.087 58.100 -0.826 0.000 1.229 272 Y CB -0.347 37.328 38.460 -1.309 0.000 0.977 272 Y HN 0.658 nan 8.280 nan 0.000 0.538 273 R N 0.198 119.891 120.500 -1.345 0.000 2.076 273 R HA 0.109 4.452 4.340 0.006 0.000 0.203 273 R C 1.972 177.841 176.300 -0.717 0.000 1.229 273 R CA 0.849 56.195 56.100 -1.258 0.000 1.094 273 R CB 0.036 29.324 30.300 -1.686 0.000 0.991 273 R HN 0.364 nan 8.270 nan 0.000 0.471 274 E N -0.031 119.848 120.200 -0.534 0.000 2.358 274 E HA 0.117 4.471 4.350 0.006 0.000 0.195 274 E C 0.896 177.289 176.600 -0.345 0.000 1.010 274 E CA 0.443 56.659 56.400 -0.307 0.000 0.856 274 E CB 0.325 29.937 29.700 -0.147 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.940 110.369 108.800 -0.618 0.000 2.561 275 G HA2 -0.356 3.607 3.960 0.006 0.000 0.289 275 G HA3 -0.356 3.607 3.960 0.006 0.000 0.289 275 G C 0.153 174.536 174.900 -0.861 0.000 1.169 275 G CA -0.047 44.452 45.100 -1.003 0.000 0.980 275 G HN 0.209 nan 8.290 nan 0.000 0.550 276 I N 1.198 121.630 120.570 -0.229 0.000 2.683 276 I HA 0.339 4.512 4.170 0.006 0.000 0.286 276 I C 0.290 176.280 176.117 -0.212 0.000 1.175 276 I CA 0.064 61.353 61.300 -0.018 0.000 1.429 276 I CB 0.886 38.959 38.000 0.120 0.000 1.371 276 I HN 0.324 nan 8.210 nan 0.000 0.569 277 V N 7.918 127.717 119.914 -0.191 0.000 2.443 277 V HA 0.360 4.484 4.120 0.006 0.000 0.293 277 V C -0.098 175.860 176.094 -0.226 0.000 1.021 277 V CA -0.569 61.585 62.300 -0.244 0.000 0.848 277 V CB 1.548 33.286 31.823 -0.141 0.000 0.998 277 V HN 0.447 nan 8.190 nan 0.000 0.424 278 L N 3.991 124.987 121.223 -0.378 0.000 2.275 278 L HA 0.662 5.005 4.340 0.006 0.000 0.288 278 L C 0.220 176.997 176.870 -0.155 0.000 1.046 278 L CA 0.147 54.843 54.840 -0.241 0.000 0.805 278 L CB 1.604 43.415 42.059 -0.412 0.000 1.193 278 L HN 0.610 nan 8.230 nan 0.000 0.426 279 S N 0.826 116.518 115.700 -0.014 0.000 2.599 279 S HA 0.299 4.772 4.470 0.006 0.000 0.294 279 S C -0.448 174.170 174.600 0.030 0.000 1.094 279 S CA -0.518 57.616 58.200 -0.109 0.000 0.931 279 S CB 1.772 64.828 63.200 -0.240 0.000 1.093 279 S HN 0.777 nan 8.310 nan 0.000 0.488 280 D N 1.015 121.386 120.400 -0.049 0.000 2.697 280 D HA -0.150 4.493 4.640 0.006 0.000 0.238 280 D C -0.675 175.775 176.300 0.249 0.000 1.152 280 D CA 0.366 54.458 54.000 0.153 0.000 0.666 280 D CB -1.284 39.676 40.800 0.267 0.000 1.037 280 D HN 0.218 nan 8.370 nan 0.000 0.423 281 V N 1.191 121.244 119.914 0.231 0.000 2.432 281 V HA 0.546 4.670 4.120 0.006 0.000 0.271 281 V C 0.936 177.175 176.094 0.241 0.000 1.046 281 V CA 0.318 62.793 62.300 0.292 0.000 0.945 281 V CB 1.319 33.288 31.823 0.242 0.000 0.992 281 V HN 0.498 nan 8.190 nan 0.000 0.471 282 S N 4.518 120.407 115.700 0.315 0.000 2.632 282 S HA 0.768 5.242 4.470 0.006 0.000 0.289 282 S C -1.320 173.476 174.600 0.326 0.000 1.115 282 S CA -0.799 57.557 58.200 0.260 0.000 0.889 282 S CB 2.028 65.345 63.200 0.196 0.000 1.116 282 S HN 0.571 nan 8.310 nan 0.000 0.486 283 Y N 1.774 122.149 120.300 0.125 0.000 2.350 283 Y HA 0.521 5.075 4.550 0.006 0.000 0.338 283 Y C -0.494 175.443 175.900 0.061 0.000 0.961 283 Y CA -0.791 57.324 58.100 0.026 0.000 1.100 283 Y CB 1.549 40.007 38.460 -0.003 0.000 1.179 283 Y HN 0.859 nan 8.280 nan 0.000 0.454 284 N N 4.772 123.251 118.700 -0.369 0.000 2.448 284 N HA 0.028 4.772 4.740 0.006 0.000 0.250 284 N C -1.226 174.208 175.510 -0.127 0.000 1.136 284 N CA 0.044 52.981 53.050 -0.189 0.000 0.953 284 N CB 0.205 38.555 38.487 -0.229 0.000 1.251 284 N HN 0.650 nan 8.380 nan 0.000 0.502 285 D N 2.655 123.163 120.400 0.180 0.000 2.522 285 D HA 0.093 4.737 4.640 0.006 0.000 0.218 285 D C -0.399 175.987 176.300 0.144 0.000 1.149 285 D CA -0.146 54.026 54.000 0.286 0.000 0.981 285 D CB -0.713 40.347 40.800 0.433 0.000 1.041 285 D HN 0.579 nan 8.370 nan 0.000 0.518 286 H N 1.669 120.795 119.070 0.094 0.000 2.604 286 H HA -0.199 4.360 4.556 0.006 0.000 0.321 286 H C 1.443 176.784 175.328 0.022 0.000 1.132 286 H CA 1.030 57.100 56.048 0.037 0.000 1.129 286 H CB -1.061 28.724 29.762 0.039 0.000 1.526 286 H HN 0.672 nan 8.280 nan 0.000 0.415 287 G N -0.243 108.592 108.800 0.059 0.000 2.232 287 G HA2 -0.336 3.627 3.960 0.006 0.000 0.226 287 G HA3 -0.336 3.627 3.960 0.006 0.000 0.226 287 G C 0.220 175.140 174.900 0.034 0.000 0.996 287 G CA 0.014 45.136 45.100 0.036 0.000 0.626 287 G HN 0.748 nan 8.290 nan 0.000 0.509 288 N N 0.868 119.604 118.700 0.059 0.000 2.469 288 N HA 0.412 5.155 4.740 0.006 0.000 0.239 288 N C 0.104 175.656 175.510 0.069 0.000 1.053 288 N CA -0.330 52.751 53.050 0.052 0.000 0.937 288 N CB 0.689 39.208 38.487 0.053 0.000 1.163 288 N HN 0.058 nan 8.380 nan 0.000 0.509 289 V N 4.677 124.620 119.914 0.048 0.000 2.415 289 V HA 0.171 4.295 4.120 0.006 0.000 0.267 289 V C 0.453 176.602 176.094 0.091 0.000 1.042 289 V CA -0.030 62.310 62.300 0.066 0.000 1.000 289 V CB 0.093 31.939 31.823 0.038 0.000 1.015 289 V HN 0.592 nan 8.190 nan 0.000 0.478 290 R N 5.768 126.363 120.500 0.158 0.000 2.310 290 R HA 0.429 4.772 4.340 0.006 0.000 0.324 290 R C -2.756 173.672 176.300 0.214 0.000 0.955 290 R CA -1.879 54.325 56.100 0.173 0.000 0.830 290 R CB 1.679 32.101 30.300 0.204 0.000 1.154 290 R HN 0.413 nan 8.270 nan 0.000 0.458 291 P HA 0.051 nan 4.420 nan 0.000 0.269 291 P C -0.058 177.291 177.300 0.081 0.000 1.215 291 P CA 0.245 63.420 63.100 0.124 0.000 0.780 291 P CB 0.806 32.567 31.700 0.102 0.000 0.898 292 I N -0.302 120.214 120.570 -0.090 0.000 3.623 292 I HA 0.205 4.379 4.170 0.006 0.000 0.253 292 I C -0.056 175.733 176.117 -0.547 0.000 1.144 292 I CA 0.450 61.444 61.300 -0.510 0.000 1.461 292 I CB 0.204 37.621 38.000 -0.971 0.000 1.575 292 I HN 0.109 nan 8.210 nan 0.000 0.445 293 F N -0.328 119.578 119.950 -0.073 0.000 2.540 293 F HA 0.344 4.874 4.527 0.006 0.000 0.317 293 F C 0.790 176.597 175.800 0.011 0.000 1.104 293 F CA -1.177 56.784 58.000 -0.066 0.000 0.913 293 F CB 0.961 39.878 39.000 -0.139 0.000 1.170 293 F HN -0.079 nan 8.300 nan 0.000 0.450 294 H N 1.407 120.553 119.070 0.127 0.000 2.403 294 H HA 0.259 4.819 4.556 0.006 0.000 0.298 294 H C 0.252 175.566 175.328 -0.024 0.000 1.059 294 H CA 1.500 57.564 56.048 0.027 0.000 1.363 294 H CB 0.455 30.187 29.762 -0.050 0.000 1.410 294 H HN 0.548 nan 8.280 nan 0.000 0.528 295 R N -0.079 120.362 120.500 -0.099 0.000 2.561 295 R HA 0.404 4.748 4.340 0.006 0.000 0.266 295 R C -2.106 174.044 176.300 -0.251 0.000 1.091 295 R CA -0.618 55.349 56.100 -0.222 0.000 0.927 295 R CB 1.372 31.538 30.300 -0.222 0.000 1.240 295 R HN 0.252 nan 8.270 nan 0.000 0.449 296 I N 2.583 122.958 120.570 -0.324 0.000 2.692 296 I HA 0.592 4.766 4.170 0.006 0.000 0.293 296 I C -1.558 174.287 176.117 -0.452 0.000 1.200 296 I CA -0.093 60.963 61.300 -0.406 0.000 1.036 296 I CB 2.096 39.789 38.000 -0.512 0.000 1.258 296 I HN 0.896 nan 8.210 nan 0.000 0.421 297 S N 6.305 121.851 115.700 -0.256 0.000 2.615 297 S HA 0.528 5.002 4.470 0.006 0.000 0.268 297 S C -1.566 173.142 174.600 0.180 0.000 1.146 297 S CA -1.057 57.072 58.200 -0.119 0.000 0.818 297 S CB 1.141 64.250 63.200 -0.152 0.000 1.111 297 S HN 0.593 nan 8.310 nan 0.000 0.465 298 L N 2.710 124.115 121.223 0.302 0.000 2.290 298 L HA 0.456 4.799 4.340 0.006 0.000 0.284 298 L C 1.308 178.238 176.870 0.100 0.000 1.078 298 L CA -0.129 54.849 54.840 0.229 0.000 0.815 298 L CB 1.566 43.792 42.059 0.278 0.000 1.162 298 L HN 1.043 nan 8.230 nan 0.000 0.435 299 S N 0.638 116.379 115.700 0.069 0.000 2.506 299 S HA 0.212 4.685 4.470 0.006 0.000 0.219 299 S C 0.305 174.915 174.600 0.017 0.000 1.031 299 S CA -0.235 58.035 58.200 0.116 0.000 0.911 299 S CB 0.579 63.907 63.200 0.213 0.000 0.812 299 S HN 0.640 nan 8.310 nan 0.000 0.497 300 E N -0.495 119.595 120.200 -0.182 0.000 2.409 300 E HA 0.670 5.023 4.350 0.006 0.000 0.280 300 E C -1.750 174.674 176.600 -0.293 0.000 1.079 300 E CA -0.437 55.792 56.400 -0.285 0.000 0.840 300 E CB 1.353 30.770 29.700 -0.473 0.000 1.309 300 E HN 0.332 nan 8.360 nan 0.000 0.447 301 M N 1.442 120.977 119.600 -0.108 0.000 2.667 301 M HA 0.655 5.138 4.480 0.006 0.000 0.286 301 M C -1.114 175.327 176.300 0.235 0.000 1.270 301 M CA -0.961 54.322 55.300 -0.028 0.000 0.826 301 M CB 2.529 34.967 32.600 -0.271 0.000 1.743 301 M HN 0.566 nan 8.290 nan 0.000 0.460 302 I N 0.522 121.191 120.570 0.165 0.000 2.692 302 I HA 0.482 4.656 4.170 0.006 0.000 0.293 302 I C -1.628 174.468 176.117 -0.035 0.000 1.200 302 I CA -0.695 60.652 61.300 0.079 0.000 1.036 302 I CB 2.093 40.118 38.000 0.042 0.000 1.258 302 I HN 0.430 nan 8.210 nan 0.000 0.421 303 V N 8.395 128.317 119.914 0.013 0.000 2.260 303 V HA 0.346 4.470 4.120 0.006 0.000 0.263 303 V C -2.316 173.802 176.094 0.041 0.000 1.036 303 V CA -1.259 61.021 62.300 -0.034 0.000 0.874 303 V CB 0.558 32.392 31.823 0.018 0.000 1.116 303 V HN 0.514 nan 8.190 nan 0.000 0.454 304 P HA 0.264 nan 4.420 nan 0.000 0.282 304 P C -0.859 176.412 177.300 -0.047 0.000 1.262 304 P CA -0.155 62.973 63.100 0.046 0.000 0.773 304 P CB 0.781 32.447 31.700 -0.057 0.000 0.879 305 Y N 1.294 121.637 120.300 0.071 0.000 2.300 305 Y HA 0.426 4.979 4.550 0.006 0.000 0.328 305 Y C 1.979 177.859 175.900 -0.034 0.000 1.270 305 Y CA 0.633 58.766 58.100 0.056 0.000 1.352 305 Y CB 0.754 39.254 38.460 0.066 0.000 1.286 305 Y HN 0.487 nan 8.280 nan 0.000 0.536 306 G N 0.097 108.933 108.800 0.060 0.000 3.651 306 G HA2 0.057 4.021 3.960 0.006 0.000 0.279 306 G HA3 0.057 4.021 3.960 0.006 0.000 0.279 306 G C -0.255 174.549 174.900 -0.159 0.000 1.024 306 G CA -0.159 44.921 45.100 -0.034 0.000 0.813 306 G HN 0.452 nan 8.290 nan 0.000 0.518 307 S N 1.419 116.966 115.700 -0.256 0.000 2.475 307 S HA 0.464 4.937 4.470 0.006 0.000 0.281 307 S C -0.878 173.428 174.600 -0.490 0.000 1.198 307 S CA -1.409 56.485 58.200 -0.511 0.000 1.063 307 S CB 1.852 64.620 63.200 -0.720 0.000 0.972 307 S HN 0.063 nan 8.310 nan 0.000 0.486 308 P HA 0.051 nan 4.420 nan 0.000 0.236 308 P C -0.267 176.902 177.300 -0.218 0.000 1.177 308 P CA 0.323 63.163 63.100 -0.434 0.000 0.773 308 P CB 0.080 31.465 31.700 -0.526 0.000 0.878 309 E N 0.017 120.126 120.200 -0.152 0.000 2.354 309 E HA 0.153 4.507 4.350 0.006 0.000 0.269 309 E C -0.385 176.155 176.600 -0.099 0.000 1.036 309 E CA -0.785 55.606 56.400 -0.015 0.000 0.876 309 E CB 0.459 30.226 29.700 0.112 0.000 1.009 309 E HN 0.041 nan 8.360 nan 0.000 0.416 310 F N 4.619 124.444 119.950 -0.208 0.000 2.518 310 F HA 0.097 4.627 4.527 0.006 0.000 0.359 310 F C -1.360 174.135 175.800 -0.508 0.000 1.118 310 F CA -1.689 56.145 58.000 -0.276 0.000 1.287 310 F CB 0.843 39.750 39.000 -0.155 0.000 1.132 310 F HN 0.319 nan 8.300 nan 0.000 0.587 311 P HA 0.063 nan 4.420 nan 0.000 0.254 311 P C 0.238 177.034 177.300 -0.840 0.000 1.620 311 P CA 0.292 62.546 63.100 -1.410 0.000 1.050 311 P CB -0.175 30.864 31.700 -1.102 0.000 1.539 312 H N 0.824 119.627 119.070 -0.445 0.000 2.545 312 H HA -0.078 4.481 4.556 0.006 0.000 0.282 312 H C 2.089 177.275 175.328 -0.238 0.000 1.020 312 H CA 0.931 56.766 56.048 -0.354 0.000 1.243 312 H CB -0.244 29.302 29.762 -0.361 0.000 1.377 312 H HN 0.410 nan 8.280 nan 0.000 0.581 313 Q N 1.818 121.518 119.800 -0.166 0.000 2.291 313 Q HA -0.138 4.206 4.340 0.006 0.000 0.206 313 Q C 1.352 177.406 176.000 0.090 0.000 0.976 313 Q CA 0.943 56.709 55.803 -0.062 0.000 0.875 313 Q CB -0.298 28.383 28.738 -0.095 0.000 0.927 313 Q HN 0.413 nan 8.270 nan 0.000 0.450 314 R N 0.843 121.324 120.500 -0.032 0.000 2.313 314 R HA 0.161 4.505 4.340 0.006 0.000 0.199 314 R C 0.149 176.450 176.300 0.002 0.000 0.958 314 R CA 0.110 56.221 56.100 0.019 0.000 1.047 314 R CB 0.244 30.474 30.300 -0.116 0.000 0.955 314 R HN 0.150 nan 8.270 nan 0.000 0.481 315 K N 2.243 122.683 120.400 0.067 0.000 2.244 315 K HA 0.078 4.401 4.320 0.006 0.000 0.263 315 K C -0.304 176.566 176.600 0.450 0.000 1.103 315 K CA -0.059 56.322 56.287 0.158 0.000 0.966 315 K CB 0.395 32.770 32.500 -0.210 0.000 1.429 315 K HN 0.303 nan 8.250 nan 0.000 0.434 316 H N 0.203 119.481 119.070 0.346 0.000 3.080 316 H HA 0.206 4.765 4.556 0.006 0.000 0.211 316 H C -0.693 174.750 175.328 0.191 0.000 1.359 316 H CA -0.721 55.470 56.048 0.238 0.000 1.322 316 H CB -0.521 29.300 29.762 0.099 0.000 2.164 316 H HN 0.364 nan 8.280 nan 0.000 0.526 317 A N 1.970 124.899 122.820 0.181 0.000 2.546 317 A HA 0.276 4.599 4.320 0.006 0.000 0.243 317 A C 0.182 177.776 177.584 0.016 0.000 1.063 317 A CA -0.182 51.870 52.037 0.025 0.000 0.757 317 A CB 0.064 19.032 19.000 -0.053 0.000 0.991 317 A HN 0.479 nan 8.150 nan 0.000 0.503 318 L N 3.565 124.763 121.223 -0.042 0.000 2.353 318 L HA 0.218 4.562 4.340 0.006 0.000 0.269 318 L C 0.704 177.497 176.870 -0.127 0.000 1.085 318 L CA 0.010 54.841 54.840 -0.016 0.000 0.938 318 L CB 0.669 42.762 42.059 0.057 0.000 1.312 318 L HN 0.725 nan 8.230 nan 0.000 0.429 319 D N 1.502 121.844 120.400 -0.096 0.000 2.144 319 D HA -0.166 4.478 4.640 0.006 0.000 0.199 319 D C 2.027 178.213 176.300 -0.190 0.000 0.984 319 D CA 1.557 55.522 54.000 -0.059 0.000 0.834 319 D CB 0.392 41.199 40.800 0.010 0.000 0.955 319 D HN 0.501 nan 8.370 nan 0.000 0.465 320 I N 0.824 121.246 120.570 -0.247 0.000 2.202 320 I HA -0.139 4.034 4.170 0.006 0.000 0.242 320 I C 2.541 178.438 176.117 -0.367 0.000 1.091 320 I CA 1.328 62.425 61.300 -0.339 0.000 1.368 320 I CB -0.296 37.533 38.000 -0.285 0.000 1.058 320 I HN -0.004 nan 8.210 nan 0.000 0.410 321 G N -0.284 108.339 108.800 -0.296 0.000 2.511 321 G HA2 -0.109 3.855 3.960 0.006 0.000 0.217 321 G HA3 -0.109 3.855 3.960 0.006 0.000 0.217 321 G C 1.464 176.218 174.900 -0.244 0.000 1.133 321 G CA 0.245 45.168 45.100 -0.295 0.000 0.792 321 G HN 0.395 nan 8.290 nan 0.000 0.539 322 E N -1.386 118.622 120.200 -0.320 0.000 2.389 322 E HA 0.126 4.479 4.350 0.006 0.000 0.199 322 E C 1.047 177.298 176.600 -0.582 0.000 0.978 322 E CA 0.307 56.423 56.400 -0.473 0.000 0.912 322 E CB 0.332 29.630 29.700 -0.669 0.000 0.907 322 E HN 0.572 nan 8.360 nan 0.000 0.494 323 Y N -0.432 119.814 120.300 -0.090 0.000 2.652 323 Y HA 0.354 4.908 4.550 0.006 0.000 0.274 323 Y C 0.796 176.672 175.900 -0.039 0.000 1.148 323 Y CA 0.211 58.281 58.100 -0.050 0.000 1.219 323 Y CB 1.063 39.467 38.460 -0.093 0.000 1.337 323 Y HN -0.040 nan 8.280 nan 0.000 0.490 324 G N 0.770 109.507 108.800 -0.105 0.000 3.421 324 G HA2 0.147 4.110 3.960 0.006 0.000 0.686 324 G HA3 0.147 4.110 3.960 0.006 0.000 0.686 324 G C 0.597 175.229 174.900 -0.447 0.000 1.056 324 G CA -0.311 44.579 45.100 -0.350 0.000 0.891 324 G HN 0.625 nan 8.290 nan 0.000 0.514 325 A N 1.215 123.644 122.820 -0.653 0.000 2.125 325 A HA 0.335 4.659 4.320 0.006 0.000 0.219 325 A C 2.525 179.910 177.584 -0.333 0.000 1.156 325 A CA 2.452 53.989 52.037 -0.832 0.000 0.671 325 A CB -0.280 18.292 19.000 -0.714 0.000 0.794 325 A HN 2.127 nan 8.150 nan 0.000 0.459 326 G N -1.663 106.940 108.800 -0.329 0.000 2.417 326 G HA2 -0.036 3.927 3.960 0.006 0.000 0.212 326 G HA3 -0.036 3.927 3.960 0.006 0.000 0.212 326 G C 1.373 176.376 174.900 0.172 0.000 1.187 326 G CA 0.730 45.841 45.100 0.019 0.000 0.804 326 G HN 0.405 nan 8.290 nan 0.000 0.534 327 Y N 0.784 120.911 120.300 -0.289 0.000 2.207 327 Y HA 0.030 4.584 4.550 0.006 0.000 0.287 327 Y C 2.837 178.746 175.900 0.014 0.000 1.156 327 Y CA 0.648 58.586 58.100 -0.269 0.000 1.182 327 Y CB -0.336 37.980 38.460 -0.240 0.000 0.979 327 Y HN 0.136 nan 8.280 nan 0.000 0.521 328 M N -1.177 118.522 119.600 0.164 0.000 2.561 328 M HA -0.006 4.477 4.480 0.006 0.000 0.238 328 M C 0.805 177.284 176.300 0.299 0.000 1.131 328 M CA 0.290 55.701 55.300 0.184 0.000 1.046 328 M CB -0.092 32.580 32.600 0.120 0.000 1.532 328 M HN -0.100 nan 8.290 nan 0.000 0.497 329 T N 1.877 116.639 114.554 0.346 0.000 2.919 329 T HA 0.122 4.475 4.350 0.006 0.000 0.302 329 T C 0.098 174.956 174.700 0.263 0.000 1.031 329 T CA -0.057 62.273 62.100 0.384 0.000 1.127 329 T CB 0.205 69.369 68.868 0.494 0.000 0.952 329 T HN 0.370 nan 8.240 nan 0.000 0.540 330 N N 4.908 123.730 118.700 0.204 0.000 2.530 330 N HA 0.252 4.996 4.740 0.006 0.000 0.273 330 N C -2.638 172.909 175.510 0.062 0.000 1.173 330 N CA -1.496 51.626 53.050 0.119 0.000 0.967 330 N CB 0.793 39.332 38.487 0.086 0.000 1.109 330 N HN 0.406 nan 8.380 nan 0.000 0.453 331 P HA 0.034 nan 4.420 nan 0.000 0.271 331 P C 0.139 177.399 177.300 -0.066 0.000 1.226 331 P CA 0.158 63.224 63.100 -0.056 0.000 0.765 331 P CB 0.605 32.272 31.700 -0.056 0.000 0.835 332 L N 1.600 122.749 121.223 -0.124 0.000 2.509 332 L HA -0.041 4.302 4.340 0.006 0.000 0.222 332 L C 2.385 179.216 176.870 -0.066 0.000 1.123 332 L CA 0.594 55.399 54.840 -0.058 0.000 0.856 332 L CB -0.516 41.564 42.059 0.036 0.000 0.985 332 L HN 0.397 nan 8.230 nan 0.000 0.456 333 S N 0.999 116.587 115.700 -0.188 0.000 2.368 333 S HA -0.192 4.281 4.470 0.006 0.000 0.226 333 S C 1.745 176.342 174.600 -0.004 0.000 1.044 333 S CA 1.637 59.769 58.200 -0.115 0.000 1.062 333 S CB -0.122 62.987 63.200 -0.150 0.000 0.931 333 S HN 0.437 nan 8.310 nan 0.000 0.440 334 L N 0.484 121.701 121.223 -0.010 0.000 2.592 334 L HA 0.252 4.596 4.340 0.006 0.000 0.227 334 L C 2.282 179.165 176.870 0.022 0.000 1.127 334 L CA 0.401 55.248 54.840 0.012 0.000 0.884 334 L CB -0.384 41.682 42.059 0.012 0.000 1.065 334 L HN 0.405 nan 8.230 nan 0.000 0.457 335 G N -1.563 107.251 108.800 0.024 0.000 2.848 335 G HA2 -0.100 3.864 3.960 0.006 0.000 0.208 335 G HA3 -0.100 3.864 3.960 0.006 0.000 0.208 335 G C 1.020 175.937 174.900 0.028 0.000 1.152 335 G CA 0.339 45.455 45.100 0.027 0.000 0.789 335 G HN 0.515 nan 8.290 nan 0.000 0.531 336 C N -0.289 119.029 119.300 0.031 0.000 4.259 336 C HA -0.153 4.311 4.460 0.006 0.000 0.294 336 C C 0.899 175.900 174.990 0.018 0.000 1.459 336 C CA 0.882 59.912 59.018 0.021 0.000 2.016 336 C CB -2.085 25.661 27.740 0.010 0.000 1.274 336 C HN 0.608 nan 8.230 nan 0.000 0.792 337 D N -1.500 118.921 120.400 0.034 0.000 2.599 337 D HA 0.308 4.951 4.640 0.006 0.000 0.249 337 D C -0.096 176.204 176.300 -0.000 0.000 1.313 337 D CA -0.002 54.024 54.000 0.044 0.000 0.815 337 D CB 0.302 41.164 40.800 0.104 0.000 1.077 337 D HN 0.518 nan 8.370 nan 0.000 0.492 338 c N 1.523 120.095 118.600 -0.046 0.000 3.445 338 c HA 0.471 5.045 4.570 0.006 0.000 0.213 338 c C -0.262 173.707 174.090 -0.201 0.000 1.319 338 c CA -0.751 55.475 56.329 -0.172 0.000 1.402 338 c CB -1.384 41.129 42.510 0.005 0.000 1.819 338 c HN 0.001 nan 8.230 nan 0.000 0.491 339 K N 1.451 121.694 120.400 -0.261 0.000 2.144 339 K HA 0.740 5.063 4.320 0.006 0.000 0.270 339 K C 0.848 177.380 176.600 -0.113 0.000 1.005 339 K CA 1.750 57.955 56.287 -0.137 0.000 0.932 339 K CB 1.112 33.559 32.500 -0.089 0.000 1.021 339 K HN 0.926 nan 8.250 nan 0.000 0.462 340 G N 0.214 108.989 108.800 -0.043 0.000 2.466 340 G HA2 -0.215 3.748 3.960 0.006 0.000 0.218 340 G HA3 -0.215 3.748 3.960 0.006 0.000 0.218 340 G C -1.206 173.696 174.900 0.003 0.000 1.237 340 G CA -0.514 44.586 45.100 0.000 0.000 0.954 340 G HN 0.488 nan 8.290 nan 0.000 0.580 341 V N 0.916 120.853 119.914 0.039 0.000 2.364 341 V HA 0.677 4.801 4.120 0.006 0.000 0.272 341 V C 0.324 176.483 176.094 0.109 0.000 1.036 341 V CA -0.059 62.262 62.300 0.035 0.000 0.880 341 V CB 0.885 32.713 31.823 0.009 0.000 0.991 341 V HN 0.693 nan 8.190 nan 0.000 0.460 342 I N 3.377 123.979 120.570 0.053 0.000 3.002 342 I HA 0.559 4.732 4.170 0.006 0.000 0.310 342 I C -0.641 175.514 176.117 0.064 0.000 1.087 342 I CA -0.556 60.767 61.300 0.039 0.000 1.017 342 I CB 2.529 40.378 38.000 -0.252 0.000 1.226 342 I HN 0.708 nan 8.210 nan 0.000 0.443 343 H N 2.513 121.561 119.070 -0.037 0.000 2.600 343 H HA 0.607 5.167 4.556 0.006 0.000 0.357 343 H C -1.709 173.514 175.328 -0.175 0.000 1.106 343 H CA -0.319 55.700 56.048 -0.047 0.000 1.193 343 H CB 1.082 30.908 29.762 0.107 0.000 1.594 343 H HN 0.347 nan 8.280 nan 0.000 0.526 344 Y N 3.377 123.600 120.300 -0.128 0.000 2.487 344 Y HA 0.444 4.998 4.550 0.006 0.000 0.337 344 Y C -0.601 175.283 175.900 -0.027 0.000 1.076 344 Y CA -0.933 57.136 58.100 -0.052 0.000 1.115 344 Y CB 1.492 39.893 38.460 -0.098 0.000 1.235 344 Y HN 0.423 nan 8.280 nan 0.000 0.468 345 L N 2.727 124.047 121.223 0.162 0.000 2.362 345 L HA 0.478 4.821 4.340 0.006 0.000 0.271 345 L C -0.846 175.931 176.870 -0.156 0.000 1.002 345 L CA -1.053 53.793 54.840 0.010 0.000 0.818 345 L CB 1.696 43.741 42.059 -0.023 0.000 1.298 345 L HN 0.532 nan 8.230 nan 0.000 0.420 346 D N 1.360 121.634 120.400 -0.210 0.000 2.312 346 D HA 0.586 5.230 4.640 0.006 0.000 0.248 346 D C -0.244 175.689 176.300 -0.612 0.000 1.086 346 D CA -0.104 53.657 54.000 -0.397 0.000 0.948 346 D CB 1.950 42.528 40.800 -0.370 0.000 1.162 346 D HN 0.569 nan 8.370 nan 0.000 0.446 347 A N 1.048 123.405 122.820 -0.772 0.000 2.350 347 A HA 0.629 4.952 4.320 0.006 0.000 0.324 347 A C -1.138 175.788 177.584 -1.096 0.000 1.118 347 A CA -0.587 50.959 52.037 -0.818 0.000 0.783 347 A CB 0.649 19.225 19.000 -0.708 0.000 1.236 347 A HN 0.662 nan 8.150 nan 0.000 0.457 348 H N 0.239 118.999 119.070 -0.516 0.000 2.589 348 H HA 0.685 5.244 4.556 0.006 0.000 0.351 348 H C -1.256 173.854 175.328 -0.363 0.000 1.074 348 H CA -0.230 55.555 56.048 -0.438 0.000 1.203 348 H CB 1.495 31.166 29.762 -0.150 0.000 1.558 348 H HN 0.546 nan 8.280 nan 0.000 0.522 349 F N -0.519 119.593 119.950 0.271 0.000 2.764 349 F HA 0.571 5.102 4.527 0.006 0.000 0.347 349 F C 0.468 176.371 175.800 0.172 0.000 1.151 349 F CA -1.224 56.930 58.000 0.258 0.000 1.021 349 F CB 1.296 40.544 39.000 0.412 0.000 1.438 349 F HN 0.397 nan 8.300 nan 0.000 0.516 350 S N -0.100 115.821 115.700 0.369 0.000 2.549 350 S HA 0.537 5.011 4.470 0.006 0.000 0.297 350 S C -1.042 173.662 174.600 0.174 0.000 1.115 350 S CA -0.753 57.550 58.200 0.171 0.000 1.059 350 S CB 0.568 63.799 63.200 0.052 0.000 1.046 350 S HN 0.612 nan 8.310 nan 0.000 0.506 351 D N 2.118 122.578 120.400 0.100 0.000 2.466 351 D HA 0.251 4.894 4.640 0.006 0.000 0.262 351 D C 1.160 177.522 176.300 0.102 0.000 1.177 351 D CA -0.681 53.367 54.000 0.081 0.000 1.035 351 D CB 0.269 41.106 40.800 0.061 0.000 1.105 351 D HN 0.557 nan 8.370 nan 0.000 0.551 352 R N -0.505 120.051 120.500 0.093 0.000 2.105 352 R HA -0.127 4.217 4.340 0.006 0.000 0.239 352 R C 1.756 178.183 176.300 0.212 0.000 1.135 352 R CA 1.466 57.646 56.100 0.134 0.000 0.967 352 R CB -0.552 29.787 30.300 0.065 0.000 0.861 352 R HN 0.553 nan 8.270 nan 0.000 0.442 353 A N -0.497 122.404 122.820 0.136 0.000 2.206 353 A HA 0.154 4.478 4.320 0.006 0.000 0.211 353 A C 1.417 179.056 177.584 0.092 0.000 1.158 353 A CA 0.934 53.050 52.037 0.132 0.000 0.761 353 A CB -0.201 18.837 19.000 0.064 0.000 0.801 353 A HN 0.604 nan 8.150 nan 0.000 0.473 354 G N -0.741 108.037 108.800 -0.036 0.000 2.141 354 G HA2 -0.171 3.793 3.960 0.006 0.000 0.231 354 G HA3 -0.171 3.793 3.960 0.006 0.000 0.231 354 G C -0.459 174.277 174.900 -0.273 0.000 0.984 354 G CA 0.137 44.944 45.100 -0.487 0.000 0.660 354 G HN 0.482 nan 8.290 nan 0.000 0.525 355 D N 1.164 121.500 120.400 -0.108 0.000 2.210 355 D HA 0.470 5.114 4.640 0.006 0.000 0.249 355 D C -2.388 173.898 176.300 -0.023 0.000 1.062 355 D CA -1.289 52.675 54.000 -0.061 0.000 0.891 355 D CB 1.492 42.278 40.800 -0.023 0.000 1.186 355 D HN 0.052 nan 8.370 nan 0.000 0.432 356 P HA 0.153 nan 4.420 nan 0.000 0.268 356 P C -0.377 176.958 177.300 0.058 0.000 1.204 356 P CA -0.058 63.056 63.100 0.023 0.000 0.768 356 P CB 0.475 32.163 31.700 -0.019 0.000 0.842 357 I N -1.229 119.409 120.570 0.112 0.000 2.740 357 I HA 0.684 4.857 4.170 0.006 0.000 0.303 357 I C -0.773 175.389 176.117 0.075 0.000 1.044 357 I CA -0.674 60.694 61.300 0.113 0.000 1.064 357 I CB 2.518 40.618 38.000 0.167 0.000 1.249 357 I HN 0.048 nan 8.210 nan 0.000 0.433 358 T N 3.902 118.481 114.554 0.041 0.000 2.824 358 T HA 0.486 4.839 4.350 0.006 0.000 0.282 358 T C -0.480 174.158 174.700 -0.104 0.000 0.993 358 T CA -0.435 61.638 62.100 -0.047 0.000 0.967 358 T CB 2.000 70.902 68.868 0.056 0.000 0.960 358 T HN 0.424 nan 8.240 nan 0.000 0.441 359 V N 4.843 124.612 119.914 -0.241 0.000 2.328 359 V HA 0.326 4.450 4.120 0.006 0.000 0.278 359 V C 0.438 176.393 176.094 -0.232 0.000 1.021 359 V CA -0.951 61.258 62.300 -0.152 0.000 0.838 359 V CB 0.949 32.737 31.823 -0.058 0.000 0.999 359 V HN 0.676 nan 8.190 nan 0.000 0.447 360 K N 4.393 124.690 120.400 -0.171 0.000 2.368 360 K HA 0.150 4.473 4.320 0.006 0.000 0.282 360 K C 0.357 176.793 176.600 -0.273 0.000 1.035 360 K CA 0.066 56.232 56.287 -0.202 0.000 0.973 360 K CB 0.225 32.633 32.500 -0.154 0.000 0.957 360 K HN 0.756 nan 8.250 nan 0.000 0.474 361 N N 1.165 119.666 118.700 -0.331 0.000 2.708 361 N HA -0.219 4.525 4.740 0.006 0.000 0.255 361 N C 0.411 175.740 175.510 -0.301 0.000 1.046 361 N CA 0.929 53.694 53.050 -0.474 0.000 0.715 361 N CB -1.274 36.560 38.487 -1.088 0.000 0.895 361 N HN 0.751 nan 8.380 nan 0.000 0.545 362 A N -1.108 121.550 122.820 -0.269 0.000 2.016 362 A HA 0.181 4.504 4.320 0.006 0.000 0.217 362 A C 0.919 178.411 177.584 -0.154 0.000 1.162 362 A CA 1.080 52.960 52.037 -0.261 0.000 0.662 362 A CB 0.671 19.339 19.000 -0.554 0.000 0.812 362 A HN 0.171 nan 8.150 nan 0.000 0.450 363 V N -0.561 119.294 119.914 -0.098 0.000 2.540 363 V HA 0.333 4.456 4.120 0.006 0.000 0.302 363 V C -0.491 175.727 176.094 0.206 0.000 1.035 363 V CA -1.037 61.295 62.300 0.053 0.000 0.873 363 V CB 1.103 32.935 31.823 0.015 0.000 0.992 363 V HN 0.352 nan 8.190 nan 0.000 0.428 364 c N 7.304 126.033 118.600 0.215 0.000 2.295 364 c HA 0.770 5.343 4.570 0.006 0.000 0.331 364 c C -0.249 173.923 174.090 0.137 0.000 1.280 364 c CA -0.372 56.076 56.329 0.200 0.000 1.746 364 c CB -1.101 41.535 42.510 0.211 0.000 2.328 364 c HN 0.783 nan 8.230 nan 0.000 0.521 365 I N 8.421 129.015 120.570 0.040 0.000 2.406 365 I HA 0.561 4.735 4.170 0.006 0.000 0.290 365 I C -0.010 176.055 176.117 -0.087 0.000 0.999 365 I CA 0.072 61.313 61.300 -0.099 0.000 1.124 365 I CB 1.174 39.008 38.000 -0.277 0.000 1.289 365 I HN 0.845 nan 8.210 nan 0.000 0.441 366 H N 4.596 123.494 119.070 -0.288 0.000 2.967 366 H HA 0.517 5.076 4.556 0.006 0.000 0.318 366 H C -1.914 173.339 175.328 -0.125 0.000 1.375 366 H CA -1.100 54.879 56.048 -0.115 0.000 1.132 366 H CB 1.436 31.200 29.762 0.004 0.000 1.848 366 H HN 0.611 nan 8.280 nan 0.000 0.524 367 E N 1.176 121.400 120.200 0.040 0.000 2.227 367 E HA 0.627 4.981 4.350 0.006 0.000 0.268 367 E C -1.083 175.554 176.600 0.061 0.000 0.907 367 E CA -0.902 55.462 56.400 -0.061 0.000 0.786 367 E CB 2.948 32.728 29.700 0.135 0.000 1.191 367 E HN 0.645 nan 8.360 nan 0.000 0.411 368 E N 1.120 121.326 120.200 0.009 0.000 2.383 368 E HA 0.134 4.487 4.350 0.006 0.000 0.275 368 E C -1.347 175.293 176.600 0.068 0.000 0.918 368 E CA -0.943 55.495 56.400 0.064 0.000 0.764 368 E CB 2.052 31.773 29.700 0.034 0.000 1.252 368 E HN 0.562 nan 8.360 nan 0.000 0.449 369 D N 1.108 121.548 120.400 0.067 0.000 2.443 369 D HA -0.056 4.587 4.640 0.006 0.000 0.239 369 D C -0.596 175.725 176.300 0.035 0.000 1.136 369 D CA 0.669 54.702 54.000 0.054 0.000 0.879 369 D CB 0.872 41.695 40.800 0.039 0.000 1.195 369 D HN 0.350 nan 8.370 nan 0.000 0.443 370 D N 1.809 122.231 120.400 0.036 0.000 2.740 370 D HA 0.313 4.956 4.640 0.006 0.000 0.301 370 D C 0.559 176.865 176.300 0.010 0.000 1.408 370 D CA 0.450 54.462 54.000 0.021 0.000 0.808 370 D CB -0.063 40.761 40.800 0.041 0.000 1.128 370 D HN 0.718 nan 8.370 nan 0.000 0.465 371 G N 0.259 109.060 108.800 0.002 0.000 2.553 371 G HA2 -0.248 3.716 3.960 0.006 0.000 0.242 371 G HA3 -0.248 3.716 3.960 0.006 0.000 0.242 371 G C -0.429 174.459 174.900 -0.020 0.000 1.277 371 G CA -0.298 44.797 45.100 -0.008 0.000 0.910 371 G HN 0.273 nan 8.290 nan 0.000 0.576 372 L N 0.515 121.723 121.223 -0.025 0.000 2.349 372 L HA 0.413 4.756 4.340 0.006 0.000 0.275 372 L C 1.704 178.533 176.870 -0.069 0.000 1.115 372 L CA -0.672 54.137 54.840 -0.052 0.000 0.820 372 L CB 1.233 43.276 42.059 -0.026 0.000 1.135 372 L HN 0.588 nan 8.230 nan 0.000 0.445 373 L N 4.074 125.185 121.223 -0.187 0.000 2.145 373 L HA 0.245 4.589 4.340 0.006 0.000 0.201 373 L C -0.151 176.631 176.870 -0.147 0.000 1.075 373 L CA 1.345 56.041 54.840 -0.239 0.000 0.773 373 L CB 0.228 42.000 42.059 -0.477 0.000 0.936 373 L HN 0.558 nan 8.230 nan 0.000 0.451 374 F N -2.556 117.417 119.950 0.037 0.000 2.741 374 F HA 0.588 5.119 4.527 0.006 0.000 0.311 374 F C -0.772 175.059 175.800 0.051 0.000 1.149 374 F CA -1.716 56.307 58.000 0.039 0.000 0.930 374 F CB 0.725 39.744 39.000 0.032 0.000 1.312 374 F HN -0.209 nan 8.300 nan 0.000 0.450 375 K N 0.756 121.356 120.400 0.332 0.000 2.557 375 K HA 0.599 4.923 4.320 0.006 0.000 0.261 375 K C -2.506 174.252 176.600 0.265 0.000 0.932 375 K CA -0.776 55.656 56.287 0.241 0.000 0.829 375 K CB 2.287 34.857 32.500 0.117 0.000 1.358 375 K HN 1.065 nan 8.250 nan 0.000 0.430 376 H N 0.225 119.371 119.070 0.126 0.000 3.029 376 H HA 0.516 5.076 4.556 0.006 0.000 0.358 376 H C -1.852 173.543 175.328 0.110 0.000 1.129 376 H CA -0.248 55.857 56.048 0.095 0.000 1.230 376 H CB 2.054 31.864 29.762 0.081 0.000 1.827 376 H HN 0.517 nan 8.280 nan 0.000 0.530 377 S N 2.939 118.270 115.700 -0.614 0.000 2.568 377 S HA 0.228 4.702 4.470 0.006 0.000 0.293 377 S C -1.262 173.144 174.600 -0.324 0.000 1.089 377 S CA -0.911 57.120 58.200 -0.282 0.000 0.945 377 S CB 1.610 64.805 63.200 -0.008 0.000 1.077 377 S HN 0.676 nan 8.310 nan 0.000 0.485 378 D N 1.538 121.921 120.400 -0.029 0.000 2.280 378 D HA 0.232 4.875 4.640 0.006 0.000 0.243 378 D C 0.903 177.187 176.300 -0.027 0.000 1.129 378 D CA -0.872 53.118 54.000 -0.018 0.000 0.848 378 D CB 0.530 41.281 40.800 -0.081 0.000 1.107 378 D HN 0.455 nan 8.370 nan 0.000 0.471 379 F N 3.519 123.474 119.950 0.009 0.000 2.333 379 F HA -0.010 4.521 4.527 0.006 0.000 0.300 379 F C 1.794 177.417 175.800 -0.295 0.000 1.083 379 F CA 0.469 58.287 58.000 -0.303 0.000 1.395 379 F CB -0.299 38.644 39.000 -0.096 0.000 1.056 379 F HN 0.213 nan 8.300 nan 0.000 0.529 380 R N 0.910 120.855 120.500 -0.926 0.000 2.096 380 R HA -0.134 4.209 4.340 0.006 0.000 0.235 380 R C 0.573 176.684 176.300 -0.314 0.000 1.127 380 R CA 1.562 57.264 56.100 -0.664 0.000 0.968 380 R CB -0.638 29.289 30.300 -0.622 0.000 0.861 380 R HN 0.535 nan 8.270 nan 0.000 0.440 381 D N -1.411 118.829 120.400 -0.266 0.000 2.755 381 D HA -0.007 4.636 4.640 0.006 0.000 0.257 381 D C -0.537 175.657 176.300 -0.178 0.000 1.291 381 D CA -0.454 53.446 54.000 -0.168 0.000 0.836 381 D CB -0.755 39.981 40.800 -0.105 0.000 1.059 381 D HN 0.093 nan 8.370 nan 0.000 0.486 382 N N 1.122 119.633 118.700 -0.314 0.000 2.727 382 N HA -0.288 4.456 4.740 0.006 0.000 0.249 382 N C -0.693 174.621 175.510 -0.326 0.000 1.048 382 N CA 0.451 53.228 53.050 -0.455 0.000 0.714 382 N CB -0.888 37.475 38.487 -0.205 0.000 0.959 382 N HN 0.259 nan 8.380 nan 0.000 0.544 383 F N -4.614 115.338 119.950 0.003 0.000 2.840 383 F HA -0.322 4.209 4.527 0.006 0.000 0.310 383 F C 1.670 177.479 175.800 0.016 0.000 0.688 383 F CA 0.803 58.800 58.000 -0.004 0.000 1.286 383 F CB -2.180 36.822 39.000 0.003 0.000 1.612 383 F HN 0.296 nan 8.300 nan 0.000 0.335 384 A N -0.994 121.896 122.820 0.116 0.000 1.898 384 A HA -0.033 4.291 4.320 0.006 0.000 0.216 384 A C 1.462 179.119 177.584 0.121 0.000 1.181 384 A CA 1.908 54.013 52.037 0.112 0.000 0.620 384 A CB -0.536 18.496 19.000 0.053 0.000 0.819 384 A HN 0.353 nan 8.150 nan 0.000 0.442 385 T N 1.087 115.683 114.554 0.070 0.000 2.751 385 T HA 0.427 4.781 4.350 0.006 0.000 0.290 385 T C -0.227 174.529 174.700 0.093 0.000 0.919 385 T CA 0.668 62.802 62.100 0.057 0.000 1.136 385 T CB 0.132 69.007 68.868 0.012 0.000 0.875 385 T HN 0.322 nan 8.240 nan 0.000 0.532 386 S N 3.411 119.179 115.700 0.113 0.000 2.543 386 S HA 0.680 5.154 4.470 0.006 0.000 0.274 386 S C -1.820 172.864 174.600 0.139 0.000 1.149 386 S CA -0.882 57.407 58.200 0.148 0.000 0.866 386 S CB 1.063 64.408 63.200 0.241 0.000 1.111 386 S HN 0.665 nan 8.310 nan 0.000 0.457 387 L N 4.282 125.598 121.223 0.155 0.000 2.436 387 L HA 0.892 5.235 4.340 0.006 0.000 0.268 387 L C -1.795 175.198 176.870 0.205 0.000 0.974 387 L CA -0.487 54.448 54.840 0.159 0.000 0.826 387 L CB 1.839 43.989 42.059 0.153 0.000 1.291 387 L HN 0.545 nan 8.230 nan 0.000 0.406 388 V N 2.679 122.707 119.914 0.191 0.000 2.623 388 V HA 0.614 4.738 4.120 0.006 0.000 0.304 388 V C -0.542 175.582 176.094 0.051 0.000 1.054 388 V CA -0.419 61.960 62.300 0.133 0.000 0.882 388 V CB 2.049 33.946 31.823 0.122 0.000 1.002 388 V HN 0.782 nan 8.190 nan 0.000 0.424 389 T N 4.568 119.055 114.554 -0.111 0.000 2.879 389 T HA 0.491 4.844 4.350 0.006 0.000 0.290 389 T C -0.208 174.305 174.700 -0.312 0.000 0.993 389 T CA -0.669 61.267 62.100 -0.274 0.000 0.975 389 T CB 1.356 69.891 68.868 -0.555 0.000 0.981 389 T HN 0.544 nan 8.240 nan 0.000 0.439 390 R N 1.432 121.833 120.500 -0.165 0.000 2.490 390 R HA 0.694 5.037 4.340 0.006 0.000 0.278 390 R C 0.117 176.348 176.300 -0.114 0.000 1.069 390 R CA -0.598 55.436 56.100 -0.111 0.000 1.080 390 R CB 0.898 31.173 30.300 -0.041 0.000 1.030 390 R HN 0.689 nan 8.270 nan 0.000 0.491 391 A N 1.591 124.372 122.820 -0.065 0.000 2.310 391 A HA 0.436 4.759 4.320 0.006 0.000 0.299 391 A C -0.367 177.264 177.584 0.078 0.000 1.147 391 A CA -0.289 51.747 52.037 -0.001 0.000 0.818 391 A CB 1.035 20.045 19.000 0.016 0.000 1.096 391 A HN 0.611 nan 8.150 nan 0.000 0.495 392 T N 2.238 116.897 114.554 0.175 0.000 2.841 392 T HA 0.540 4.894 4.350 0.006 0.000 0.283 392 T C -0.375 174.575 174.700 0.418 0.000 1.000 392 T CA -0.665 61.601 62.100 0.276 0.000 0.977 392 T CB 1.255 70.335 68.868 0.354 0.000 0.979 392 T HN 0.762 nan 8.240 nan 0.000 0.446 393 K N 2.365 122.894 120.400 0.214 0.000 2.259 393 K HA 0.682 5.005 4.320 0.006 0.000 0.249 393 K C -1.145 175.249 176.600 -0.343 0.000 0.942 393 K CA -1.072 55.246 56.287 0.052 0.000 0.816 393 K CB 1.810 34.310 32.500 0.001 0.000 1.155 393 K HN 0.361 nan 8.250 nan 0.000 0.428 394 L N 3.418 124.162 121.223 -0.798 0.000 2.296 394 L HA 0.429 4.773 4.340 0.006 0.000 0.286 394 L C -1.321 175.287 176.870 -0.437 0.000 1.023 394 L CA -0.882 53.392 54.840 -0.945 0.000 0.812 394 L CB 1.677 42.778 42.059 -1.596 0.000 1.223 394 L HN 0.585 nan 8.230 nan 0.000 0.421 395 V N 5.619 125.266 119.914 -0.446 0.000 2.487 395 V HA 0.426 4.550 4.120 0.006 0.000 0.298 395 V C -0.207 175.831 176.094 -0.093 0.000 1.028 395 V CA -0.658 61.508 62.300 -0.224 0.000 0.860 395 V CB 2.132 33.758 31.823 -0.328 0.000 0.991 395 V HN 0.486 nan 8.190 nan 0.000 0.427 396 V N 4.421 124.407 119.914 0.121 0.000 2.350 396 V HA 0.699 4.823 4.120 0.006 0.000 0.285 396 V C 0.044 176.312 176.094 0.291 0.000 1.014 396 V CA -0.215 62.193 62.300 0.180 0.000 0.831 396 V CB 1.575 33.525 31.823 0.212 0.000 1.000 396 V HN 1.023 nan 8.190 nan 0.000 0.433 397 S N 4.403 120.238 115.700 0.226 0.000 2.599 397 S HA 0.919 5.392 4.470 0.006 0.000 0.287 397 S C -1.017 173.659 174.600 0.127 0.000 1.105 397 S CA -0.834 57.445 58.200 0.131 0.000 0.899 397 S CB 2.496 65.716 63.200 0.034 0.000 1.100 397 S HN 0.823 nan 8.310 nan 0.000 0.482 398 Q N 0.584 120.422 119.800 0.064 0.000 2.501 398 Q HA 0.787 5.131 4.340 0.006 0.000 0.288 398 Q C -1.656 174.357 176.000 0.021 0.000 1.051 398 Q CA -1.149 54.734 55.803 0.134 0.000 0.788 398 Q CB 1.636 30.581 28.738 0.345 0.000 1.469 398 Q HN 0.743 nan 8.270 nan 0.000 0.416 399 I N 2.157 122.777 120.570 0.082 0.000 2.534 399 I HA 0.490 4.663 4.170 0.006 0.000 0.288 399 I C -1.174 175.044 176.117 0.169 0.000 1.077 399 I CA -0.939 60.376 61.300 0.025 0.000 1.051 399 I CB 1.528 39.516 38.000 -0.021 0.000 1.234 399 I HN 0.684 nan 8.210 nan 0.000 0.425 400 F N 3.087 123.116 119.950 0.132 0.000 2.538 400 F HA 0.805 5.336 4.527 0.006 0.000 0.325 400 F C -0.551 175.344 175.800 0.158 0.000 1.066 400 F CA -0.783 57.306 58.000 0.149 0.000 0.946 400 F CB 1.534 40.625 39.000 0.151 0.000 1.199 400 F HN 0.161 nan 8.300 nan 0.000 0.473 401 T N 2.512 117.295 114.554 0.382 0.000 2.791 401 T HA 0.674 5.027 4.350 0.006 0.000 0.288 401 T C -0.459 174.412 174.700 0.284 0.000 0.999 401 T CA -0.450 61.787 62.100 0.227 0.000 0.952 401 T CB 1.107 70.052 68.868 0.129 0.000 0.938 401 T HN 0.913 nan 8.240 nan 0.000 0.444 402 A N 2.945 125.927 122.820 0.270 0.000 2.690 402 A HA 0.761 5.085 4.320 0.006 0.000 0.342 402 A C 1.211 178.775 177.584 -0.032 0.000 1.410 402 A CA 0.066 52.160 52.037 0.096 0.000 0.958 402 A CB -0.944 18.194 19.000 0.231 0.000 1.153 402 A HN 1.472 nan 8.150 nan 0.000 0.497 403 A N 2.277 125.062 122.820 -0.059 0.000 4.974 403 A HA -0.318 4.006 4.320 0.006 0.000 0.339 403 A C 1.082 178.710 177.584 0.073 0.000 1.785 403 A CA 1.711 53.759 52.037 0.019 0.000 0.707 403 A CB -2.115 16.893 19.000 0.015 0.000 1.430 403 A HN 1.508 nan 8.150 nan 0.000 0.398 407 Y N 1.267 121.240 120.300 -0.545 0.000 2.334 407 Y HA 0.424 4.978 4.550 0.006 0.000 0.336 407 Y C -0.335 175.277 175.900 -0.479 0.000 0.960 407 Y CA -0.769 56.980 58.100 -0.584 0.000 1.164 407 Y CB 1.153 39.005 38.460 -1.015 0.000 1.155 407 Y HN 0.460 nan 8.280 nan 0.000 0.478 408 C N 5.920 125.103 119.300 -0.196 0.000 2.239 408 C HA 0.562 5.026 4.460 0.006 0.000 0.325 408 C C -0.002 174.766 174.990 -0.370 0.000 1.231 408 C CA -1.198 57.662 59.018 -0.263 0.000 1.652 408 C CB -1.226 26.452 27.740 -0.103 0.000 2.284 408 C HN 0.638 nan 8.230 nan 0.000 0.499 409 L N 3.908 124.853 121.223 -0.463 0.000 2.296 409 L HA 0.510 4.853 4.340 0.006 0.000 0.286 409 L C -1.035 175.499 176.870 -0.560 0.000 1.023 409 L CA -0.419 54.190 54.840 -0.385 0.000 0.812 409 L CB 0.665 42.651 42.059 -0.122 0.000 1.223 409 L HN 0.611 nan 8.230 nan 0.000 0.421 410 Y N 0.956 121.104 120.300 -0.255 0.000 2.332 410 Y HA 0.311 4.865 4.550 0.006 0.000 0.326 410 Y C -0.816 174.898 175.900 -0.309 0.000 0.978 410 Y CA -0.660 57.342 58.100 -0.163 0.000 1.205 410 Y CB 1.138 39.532 38.460 -0.110 0.000 1.131 410 Y HN 0.471 nan 8.280 nan 0.000 0.462 411 W N 3.573 124.897 121.300 0.040 0.000 2.338 411 W HA 0.647 5.311 4.660 0.006 0.000 0.307 411 W C -0.918 175.545 176.519 -0.093 0.000 1.167 411 W CA -0.750 56.548 57.345 -0.078 0.000 1.208 411 W CB 1.126 30.545 29.460 -0.069 0.000 1.228 411 W HN 0.117 nan 8.180 nan 0.000 0.499 412 V N 5.013 124.893 119.914 -0.055 0.000 2.531 412 V HA 0.430 4.554 4.120 0.006 0.000 0.301 412 V C -0.709 175.226 176.094 -0.266 0.000 1.034 412 V CA -1.127 61.116 62.300 -0.094 0.000 0.865 412 V CB 0.839 32.604 31.823 -0.097 0.000 0.995 412 V HN 0.215 nan 8.190 nan 0.000 0.424 413 F N 4.505 124.339 119.950 -0.192 0.000 2.443 413 F HA 0.765 5.295 4.527 0.006 0.000 0.335 413 F C 0.292 176.209 175.800 0.195 0.000 1.104 413 F CA -0.553 57.364 58.000 -0.138 0.000 1.013 413 F CB 1.832 40.630 39.000 -0.337 0.000 1.136 413 F HN 0.275 nan 8.300 nan 0.000 0.470 414 M N 1.839 121.790 119.600 0.586 0.000 2.662 414 M HA 0.343 4.827 4.480 0.006 0.000 0.310 414 M C 0.461 177.155 176.300 0.657 0.000 1.204 414 M CA -0.581 55.059 55.300 0.567 0.000 0.891 414 M CB 2.254 35.031 32.600 0.295 0.000 1.732 414 M HN 0.577 nan 8.290 nan 0.000 0.467 415 Q N 0.708 120.770 119.800 0.436 0.000 2.444 415 Q HA -0.082 4.262 4.340 0.006 0.000 0.206 415 Q C 0.317 176.408 176.000 0.151 0.000 0.948 415 Q CA 0.591 56.534 55.803 0.232 0.000 0.946 415 Q CB 0.075 28.878 28.738 0.109 0.000 1.027 415 Q HN 0.659 nan 8.270 nan 0.000 0.513 416 D N -1.289 119.212 120.400 0.168 0.000 2.328 416 D HA 0.046 4.689 4.640 0.006 0.000 0.221 416 D C 1.140 177.453 176.300 0.022 0.000 1.072 416 D CA 0.667 54.706 54.000 0.064 0.000 0.850 416 D CB 0.222 41.074 40.800 0.087 0.000 0.922 416 D HN 0.217 nan 8.370 nan 0.000 0.516 417 G N -0.313 108.591 108.800 0.174 0.000 2.199 417 G HA2 -0.188 3.775 3.960 0.006 0.000 0.254 417 G HA3 -0.188 3.775 3.960 0.006 0.000 0.254 417 G C 0.545 175.762 174.900 0.528 0.000 0.982 417 G CA 0.181 45.436 45.100 0.258 0.000 0.632 417 G HN 0.826 nan 8.290 nan 0.000 0.529 418 A N -0.271 122.759 122.820 0.350 0.000 2.332 418 A HA 0.777 5.100 4.320 0.006 0.000 0.258 418 A C 0.204 177.925 177.584 0.228 0.000 1.087 418 A CA 0.167 52.365 52.037 0.268 0.000 0.802 418 A CB 0.456 19.527 19.000 0.119 0.000 1.042 418 A HN 0.865 nan 8.150 nan 0.000 0.489 419 I N 0.588 121.213 120.570 0.091 0.000 2.498 419 I HA 0.486 4.659 4.170 0.006 0.000 0.290 419 I C 0.147 176.176 176.117 -0.147 0.000 1.032 419 I CA -0.328 60.845 61.300 -0.211 0.000 1.073 419 I CB 2.007 39.785 38.000 -0.370 0.000 1.251 419 I HN 0.748 nan 8.210 nan 0.000 0.426 420 R N 4.538 124.912 120.500 -0.210 0.000 2.670 420 R HA 0.690 5.034 4.340 0.006 0.000 0.289 420 R C -1.727 174.423 176.300 -0.249 0.000 0.965 420 R CA -0.861 55.130 56.100 -0.182 0.000 0.899 420 R CB 2.039 32.257 30.300 -0.136 0.000 1.173 420 R HN 0.496 nan 8.270 nan 0.000 0.456 421 L N 3.308 124.332 121.223 -0.332 0.000 2.305 421 L HA 0.463 4.807 4.340 0.006 0.000 0.284 421 L C -1.502 175.142 176.870 -0.376 0.000 1.013 421 L CA -0.181 54.351 54.840 -0.514 0.000 0.819 421 L CB 1.567 43.145 42.059 -0.802 0.000 1.227 421 L HN 0.561 nan 8.230 nan 0.000 0.417 422 D N 6.072 126.309 120.400 -0.272 0.000 2.278 422 D HA 0.528 5.172 4.640 0.006 0.000 0.245 422 D C -0.437 175.826 176.300 -0.062 0.000 1.052 422 D CA 0.183 54.099 54.000 -0.140 0.000 0.834 422 D CB 2.203 42.942 40.800 -0.102 0.000 1.194 422 D HN 0.435 nan 8.370 nan 0.000 0.481 423 I N 1.610 122.139 120.570 -0.069 0.000 2.569 423 I HA 0.404 4.578 4.170 0.006 0.000 0.296 423 I C 0.081 176.199 176.117 0.000 0.000 1.028 423 I CA -0.810 60.457 61.300 -0.056 0.000 1.082 423 I CB 1.953 39.833 38.000 -0.201 0.000 1.264 423 I HN -0.044 nan 8.210 nan 0.000 0.429 424 R N 4.678 125.204 120.500 0.042 0.000 2.480 424 R HA 0.536 4.879 4.340 0.006 0.000 0.306 424 R C -1.378 174.853 176.300 -0.115 0.000 0.958 424 R CA -0.969 55.123 56.100 -0.013 0.000 0.861 424 R CB 2.522 32.858 30.300 0.060 0.000 1.171 424 R HN 0.339 nan 8.270 nan 0.000 0.445 425 L N 2.056 123.165 121.223 -0.190 0.000 2.275 425 L HA 0.507 4.851 4.340 0.006 0.000 0.288 425 L C -0.165 176.540 176.870 -0.275 0.000 1.046 425 L CA 0.598 55.233 54.840 -0.342 0.000 0.805 425 L CB 1.676 43.468 42.059 -0.444 0.000 1.193 425 L HN 0.716 nan 8.230 nan 0.000 0.426 426 T N 2.416 116.790 114.554 -0.300 0.000 2.587 426 T HA 0.837 5.191 4.350 0.006 0.000 0.282 426 T C -0.078 174.482 174.700 -0.235 0.000 1.018 426 T CA 0.175 62.142 62.100 -0.222 0.000 1.120 426 T CB 0.486 69.247 68.868 -0.179 0.000 1.538 426 T HN 1.413 nan 8.240 nan 0.000 0.480 427 G N 0.603 109.273 108.800 -0.217 0.000 2.484 427 G HA2 -0.025 3.939 3.960 0.006 0.000 0.225 427 G HA3 -0.025 3.939 3.960 0.006 0.000 0.225 427 G C -1.172 173.599 174.900 -0.215 0.000 1.250 427 G CA -0.147 44.824 45.100 -0.215 0.000 0.926 427 G HN 0.898 nan 8.290 nan 0.000 0.581 428 I N 1.076 121.513 120.570 -0.222 0.000 2.474 428 I HA 0.449 4.623 4.170 0.006 0.000 0.294 428 I C 0.980 176.995 176.117 -0.169 0.000 1.005 428 I CA -0.793 60.357 61.300 -0.251 0.000 1.113 428 I CB 1.221 38.918 38.000 -0.504 0.000 1.289 428 I HN 0.599 nan 8.210 nan 0.000 0.436 429 L N 5.056 126.284 121.223 0.008 0.000 2.559 429 L HA -0.024 4.320 4.340 0.006 0.000 0.282 429 L C 1.219 178.093 176.870 0.007 0.000 1.232 429 L CA 0.315 55.204 54.840 0.083 0.000 0.885 429 L CB -0.128 42.045 42.059 0.190 0.000 1.131 429 L HN 0.662 nan 8.230 nan 0.000 0.498 430 N N 2.342 121.076 118.700 0.058 0.000 2.483 430 N HA 0.042 4.785 4.740 0.006 0.000 0.264 430 N C -0.667 174.908 175.510 0.110 0.000 1.197 430 N CA -0.054 53.063 53.050 0.113 0.000 0.927 430 N CB 0.826 39.362 38.487 0.081 0.000 1.065 430 N HN 0.696 nan 8.380 nan 0.000 0.461 431 T N 0.930 115.624 114.554 0.232 0.000 2.907 431 T HA 0.430 4.784 4.350 0.006 0.000 0.292 431 T C -1.029 173.750 174.700 0.131 0.000 1.043 431 T CA -0.764 61.417 62.100 0.135 0.000 1.003 431 T CB 1.568 70.565 68.868 0.215 0.000 1.084 431 T HN 0.505 nan 8.240 nan 0.000 0.483 432 Y N 1.349 121.511 120.300 -0.230 0.000 2.602 432 Y HA 0.685 5.239 4.550 0.006 0.000 0.342 432 Y C -0.532 175.273 175.900 -0.159 0.000 1.029 432 Y CA -2.107 55.850 58.100 -0.239 0.000 1.080 432 Y CB 1.508 39.737 38.460 -0.385 0.000 1.284 432 Y HN 0.988 nan 8.280 nan 0.000 0.485 433 I N 4.283 124.193 120.570 -1.101 0.000 2.696 433 I HA 0.236 4.409 4.170 0.006 0.000 0.284 433 I C -1.282 174.567 176.117 -0.446 0.000 1.129 433 I CA -0.275 60.624 61.300 -0.669 0.000 1.410 433 I CB 0.559 38.184 38.000 -0.624 0.000 1.399 433 I HN 0.605 nan 8.210 nan 0.000 0.579 434 L N 7.159 128.246 121.223 -0.226 0.000 2.381 434 L HA 0.634 4.977 4.340 0.006 0.000 0.274 434 L C 0.037 176.859 176.870 -0.080 0.000 0.988 434 L CA -0.098 54.681 54.840 -0.103 0.000 0.824 434 L CB 1.528 43.542 42.059 -0.075 0.000 1.263 434 L HN 0.622 nan 8.230 nan 0.000 0.410 435 G N 2.292 111.070 108.800 -0.036 0.000 2.594 435 G HA2 0.125 4.089 3.960 0.006 0.000 0.243 435 G HA3 0.125 4.089 3.960 0.006 0.000 0.243 435 G C 0.306 175.195 174.900 -0.018 0.000 1.229 435 G CA -0.217 44.869 45.100 -0.023 0.000 0.843 435 G HN 0.778 nan 8.290 nan 0.000 0.578 436 D N -0.111 120.282 120.400 -0.011 0.000 2.133 436 D HA -0.138 4.506 4.640 0.006 0.000 0.195 436 D C 1.607 177.904 176.300 -0.006 0.000 0.997 436 D CA 1.513 55.510 54.000 -0.004 0.000 0.840 436 D CB 0.103 40.904 40.800 0.001 0.000 0.947 436 D HN 0.517 nan 8.370 nan 0.000 0.452 437 D N -0.021 120.378 120.400 -0.001 0.000 2.339 437 D HA -0.023 4.620 4.640 0.006 0.000 0.217 437 D C 0.061 176.365 176.300 0.006 0.000 1.050 437 D CA -0.005 53.996 54.000 0.002 0.000 0.856 437 D CB 0.216 41.019 40.800 0.006 0.000 0.922 437 D HN 0.130 nan 8.370 nan 0.000 0.518 438 E N 0.739 120.945 120.200 0.009 0.000 2.227 438 E HA 0.124 4.478 4.350 0.006 0.000 0.282 438 E C -0.650 175.960 176.600 0.017 0.000 1.015 438 E CA -0.548 55.866 56.400 0.024 0.000 0.823 438 E CB 0.837 30.561 29.700 0.040 0.000 1.081 438 E HN -0.022 nan 8.360 nan 0.000 0.396 439 E N 3.050 123.263 120.200 0.022 0.000 2.259 439 E HA 0.248 4.601 4.350 0.006 0.000 0.281 439 E C -0.118 176.500 176.600 0.030 0.000 1.027 439 E CA 0.128 56.532 56.400 0.007 0.000 0.838 439 E CB 1.480 31.174 29.700 -0.011 0.000 1.066 439 E HN 0.539 nan 8.360 nan 0.000 0.401 440 A N 4.048 126.883 122.820 0.024 0.000 1.930 440 A HA 0.201 4.525 4.320 0.006 0.000 0.215 440 A C 1.291 178.902 177.584 0.045 0.000 1.176 440 A CA 0.915 52.992 52.037 0.066 0.000 0.632 440 A CB -0.758 18.273 19.000 0.052 0.000 0.819 440 A HN 0.639 nan 8.150 nan 0.000 0.445 441 G N -0.588 108.189 108.800 -0.037 0.000 2.606 441 G HA2 0.405 4.369 3.960 0.006 0.000 0.252 441 G HA3 0.405 4.369 3.960 0.006 0.000 0.252 441 G C -1.253 173.453 174.900 -0.324 0.000 1.206 441 G CA -0.397 44.621 45.100 -0.137 0.000 0.861 441 G HN 0.205 nan 8.290 nan 0.000 0.561 442 P HA 0.067 nan 4.420 nan 0.000 0.255 442 P C 0.412 177.512 177.300 -0.333 0.000 1.248 442 P CA 0.370 63.125 63.100 -0.576 0.000 0.807 442 P CB 0.152 31.357 31.700 -0.824 0.000 1.150 443 W N 0.543 121.902 121.300 0.098 0.000 3.197 443 W HA 0.414 5.078 4.660 0.006 0.000 0.274 443 W C 0.995 177.621 176.519 0.178 0.000 1.297 443 W CA -0.149 57.261 57.345 0.108 0.000 1.662 443 W CB 0.440 29.919 29.460 0.032 0.000 1.106 443 W HN -0.013 nan 8.180 nan 0.000 0.663 444 G N -0.578 108.418 108.800 0.327 0.000 2.550 444 G HA2 0.508 4.471 3.960 0.006 0.000 0.293 444 G HA3 0.508 4.471 3.960 0.006 0.000 0.293 444 G C -1.476 173.521 174.900 0.161 0.000 1.402 444 G CA -0.629 44.649 45.100 0.298 0.000 0.784 444 G HN -0.302 nan 8.290 nan 0.000 0.482 445 T N 0.116 114.737 114.554 0.112 0.000 2.861 445 T HA 0.459 4.813 4.350 0.006 0.000 0.287 445 T C -0.031 174.667 174.700 -0.003 0.000 1.003 445 T CA -0.628 61.504 62.100 0.053 0.000 0.977 445 T CB 1.887 70.795 68.868 0.066 0.000 0.996 445 T HN 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.901 123.389 120.500 -0.021 0.000 2.351 446 R HA 0.254 4.598 4.340 0.006 0.000 0.321 446 R C 1.052 177.309 176.300 -0.073 0.000 1.182 446 R CA -0.142 55.920 56.100 -0.062 0.000 1.011 446 R CB -0.282 29.984 30.300 -0.057 0.000 1.048 446 R HN 0.577 nan 8.270 nan 0.000 0.490 447 V N 2.159 121.991 119.914 -0.138 0.000 3.647 447 V HA 0.276 4.399 4.120 0.006 0.000 0.279 447 V C -0.262 175.805 176.094 -0.045 0.000 1.314 447 V CA -0.020 62.205 62.300 -0.125 0.000 1.125 447 V CB -0.874 30.804 31.823 -0.242 0.000 0.907 447 V HN 0.682 nan 8.190 nan 0.000 0.434 448 Y N -0.826 119.317 120.300 -0.261 0.000 2.638 448 Y HA 0.546 5.099 4.550 0.006 0.000 0.334 448 Y C -3.179 172.579 175.900 -0.237 0.000 1.182 448 Y CA -2.109 55.883 58.100 -0.180 0.000 1.102 448 Y CB 1.522 39.907 38.460 -0.125 0.000 1.343 448 Y HN -0.114 nan 8.280 nan 0.000 0.463 449 P HA 0.173 nan 4.420 nan 0.000 0.262 449 P C -0.677 176.380 177.300 -0.405 0.000 1.182 449 P CA 1.382 64.086 63.100 -0.660 0.000 0.761 449 P CB 0.168 31.099 31.700 -1.282 0.000 0.795 450 N N -0.750 117.820 118.700 -0.217 0.000 2.800 450 N HA -0.138 4.606 4.740 0.006 0.000 0.250 450 N C -0.920 174.502 175.510 -0.147 0.000 1.078 450 N CA 0.291 53.259 53.050 -0.137 0.000 0.804 450 N CB -1.343 37.093 38.487 -0.086 0.000 1.135 450 N HN 0.121 nan 8.380 nan 0.000 0.565 451 V N 0.829 120.656 119.914 -0.146 0.000 2.444 451 V HA 0.296 4.420 4.120 0.006 0.000 0.294 451 V C -0.049 175.938 176.094 -0.178 0.000 1.022 451 V CA -0.700 61.499 62.300 -0.168 0.000 0.850 451 V CB 1.773 33.459 31.823 -0.227 0.000 0.992 451 V HN 0.235 nan 8.190 nan 0.000 0.426 452 N N 3.177 121.777 118.700 -0.165 0.000 2.469 452 N HA 0.629 5.373 4.740 0.006 0.000 0.253 452 N C -0.290 175.098 175.510 -0.205 0.000 0.970 452 N CA -0.423 52.544 53.050 -0.138 0.000 0.940 452 N CB 1.165 39.605 38.487 -0.079 0.000 1.128 452 N HN 0.844 nan 8.380 nan 0.000 0.503 453 A N 3.587 126.334 122.820 -0.122 0.000 2.294 453 A HA 0.241 4.565 4.320 0.006 0.000 0.316 453 A C -0.622 177.019 177.584 0.095 0.000 1.359 453 A CA -0.409 51.596 52.037 -0.053 0.000 0.956 453 A CB -0.145 18.836 19.000 -0.031 0.000 1.155 453 A HN 0.839 nan 8.150 nan 0.000 0.544 454 H N 2.223 121.404 119.070 0.185 0.000 2.707 454 H HA 0.072 4.631 4.556 0.006 0.000 0.359 454 H C 0.215 175.733 175.328 0.317 0.000 1.113 454 H CA -0.479 55.723 56.048 0.257 0.000 1.422 454 H CB 0.673 30.601 29.762 0.278 0.000 1.443 454 H HN 0.664 nan 8.280 nan 0.000 0.591 455 N N 3.037 121.941 118.700 0.341 0.000 2.395 455 N HA -0.014 4.730 4.740 0.006 0.000 0.246 455 N C -0.204 175.260 175.510 -0.076 0.000 1.246 455 N CA 0.535 53.615 53.050 0.051 0.000 0.879 455 N CB 0.346 38.890 38.487 0.095 0.000 1.098 455 N HN 0.697 nan 8.380 nan 0.000 0.444 456 H N -1.844 116.950 119.070 -0.460 0.000 3.037 456 H HA 0.316 4.876 4.556 0.006 0.000 0.336 456 H C -1.355 173.675 175.328 -0.498 0.000 1.323 456 H CA -0.785 54.849 56.048 -0.690 0.000 1.159 456 H CB 0.837 29.686 29.762 -1.521 0.000 1.882 456 H HN 0.399 nan 8.280 nan 0.000 0.535 457 Q N 0.870 120.448 119.800 -0.370 0.000 2.257 457 Q HA 0.360 4.704 4.340 0.006 0.000 0.262 457 Q C -0.684 175.170 176.000 -0.243 0.000 0.997 457 Q CA -0.924 54.725 55.803 -0.255 0.000 0.873 457 Q CB 2.195 30.832 28.738 -0.168 0.000 1.312 457 Q HN 0.525 nan 8.270 nan 0.000 0.450 458 H N 1.938 120.990 119.070 -0.030 0.000 2.638 458 H HA 0.429 4.988 4.556 0.006 0.000 0.317 458 H C -0.845 174.360 175.328 -0.204 0.000 1.006 458 H CA -0.287 55.723 56.048 -0.064 0.000 1.222 458 H CB 0.871 30.710 29.762 0.128 0.000 1.419 458 H HN 0.354 nan 8.280 nan 0.000 0.489 459 L N 3.755 124.809 121.223 -0.281 0.000 2.362 459 L HA 0.492 4.836 4.340 0.006 0.000 0.271 459 L C -0.961 175.667 176.870 -0.402 0.000 1.002 459 L CA -0.812 53.906 54.840 -0.203 0.000 0.818 459 L CB 1.631 43.661 42.059 -0.049 0.000 1.298 459 L HN 0.359 nan 8.230 nan 0.000 0.420 460 F N -0.123 119.713 119.950 -0.191 0.000 2.576 460 F HA 0.422 4.952 4.527 0.006 0.000 0.313 460 F C 0.218 175.921 175.800 -0.163 0.000 1.078 460 F CA -0.767 57.063 58.000 -0.284 0.000 0.921 460 F CB 2.218 40.797 39.000 -0.702 0.000 1.232 460 F HN 0.216 nan 8.300 nan 0.000 0.459 461 S N 3.042 118.668 115.700 -0.124 0.000 2.532 461 S HA 0.481 4.954 4.470 0.006 0.000 0.318 461 S C -1.051 173.628 174.600 0.132 0.000 1.083 461 S CA -0.524 57.596 58.200 -0.132 0.000 1.131 461 S CB -0.003 62.703 63.200 -0.824 0.000 0.973 461 S HN 0.565 nan 8.310 nan 0.000 0.468 462 L N 5.908 127.327 121.223 0.325 0.000 2.360 462 L HA 0.493 4.837 4.340 0.006 0.000 0.276 462 L C 0.273 177.177 176.870 0.056 0.000 1.121 462 L CA 0.294 55.287 54.840 0.255 0.000 0.845 462 L CB 0.524 42.754 42.059 0.284 0.000 1.143 462 L HN 0.668 nan 8.230 nan 0.000 0.452 463 R N 6.363 126.784 120.500 -0.131 0.000 2.246 463 R HA 0.524 4.867 4.340 0.006 0.000 0.332 463 R C -1.333 174.719 176.300 -0.414 0.000 0.974 463 R CA -0.501 55.274 56.100 -0.542 0.000 0.837 463 R CB 0.474 30.413 30.300 -0.603 0.000 1.145 463 R HN 0.767 nan 8.270 nan 0.000 0.467 464 I N 3.669 124.000 120.570 -0.398 0.000 2.339 464 I HA 0.155 4.329 4.170 0.006 0.000 0.290 464 I C -0.466 175.501 176.117 -0.252 0.000 0.994 464 I CA -0.675 60.395 61.300 -0.384 0.000 1.191 464 I CB 1.736 39.473 38.000 -0.438 0.000 1.343 464 I HN 0.502 nan 8.210 nan 0.000 0.458 465 D N 9.770 130.052 120.400 -0.197 0.000 2.467 465 D HA 0.321 4.965 4.640 0.006 0.000 0.220 465 D C -2.514 173.820 176.300 0.056 0.000 1.103 465 D CA -2.107 51.874 54.000 -0.031 0.000 0.886 465 D CB 1.263 42.086 40.800 0.039 0.000 1.025 465 D HN 0.141 nan 8.370 nan 0.000 0.514 466 P HA 0.362 nan 4.420 nan 0.000 0.282 466 P C -0.536 176.849 177.300 0.142 0.000 1.259 466 P CA -0.633 62.609 63.100 0.238 0.000 0.826 466 P CB 1.281 33.102 31.700 0.201 0.000 1.064 467 R N 1.694 122.274 120.500 0.132 0.000 2.570 467 R HA 0.259 4.603 4.340 0.006 0.000 0.246 467 R C -0.376 175.956 176.300 0.053 0.000 1.417 467 R CA -0.341 55.799 56.100 0.066 0.000 1.525 467 R CB -0.106 30.240 30.300 0.076 0.000 1.403 467 R HN 0.289 nan 8.270 nan 0.000 0.754 468 I N 2.699 123.311 120.570 0.070 0.000 2.680 468 I HA -0.011 4.163 4.170 0.006 0.000 0.286 468 I C 0.538 176.755 176.117 0.166 0.000 1.144 468 I CA 0.839 62.218 61.300 0.132 0.000 1.370 468 I CB -0.024 38.090 38.000 0.191 0.000 1.420 468 I HN 0.624 nan 8.210 nan 0.000 0.540 469 D N 5.145 125.684 120.400 0.231 0.000 2.751 469 D HA -0.162 4.481 4.640 0.006 0.000 0.233 469 D C 0.650 176.963 176.300 0.021 0.000 1.149 469 D CA 1.616 55.654 54.000 0.062 0.000 0.682 469 D CB -0.636 40.073 40.800 -0.151 0.000 1.068 469 D HN 1.165 nan 8.370 nan 0.000 0.429 470 G N -0.971 107.855 108.800 0.043 0.000 2.447 470 G HA2 -0.066 3.897 3.960 0.006 0.000 0.220 470 G HA3 -0.066 3.897 3.960 0.006 0.000 0.220 470 G C -1.127 173.778 174.900 0.009 0.000 1.261 470 G CA -0.194 44.918 45.100 0.019 0.000 1.000 470 G HN 0.233 nan 8.290 nan 0.000 0.515 471 D N 1.046 121.441 120.400 -0.008 0.000 2.193 471 D HA 0.558 5.201 4.640 0.006 0.000 0.249 471 D C 0.720 177.008 176.300 -0.020 0.000 1.034 471 D CA 1.315 55.301 54.000 -0.022 0.000 0.902 471 D CB 1.213 41.993 40.800 -0.033 0.000 1.182 471 D HN 2.047 nan 8.370 nan 0.000 0.436 472 G N 1.656 110.440 108.800 -0.026 0.000 2.897 472 G HA2 -0.160 3.804 3.960 0.006 0.000 0.436 472 G HA3 -0.160 3.804 3.960 0.006 0.000 0.436 472 G C -0.713 174.159 174.900 -0.046 0.000 1.079 472 G CA -0.797 44.286 45.100 -0.028 0.000 1.090 472 G HN 0.414 nan 8.290 nan 0.000 0.480 473 N N -0.355 118.307 118.700 -0.064 0.000 2.469 473 N HA 0.882 5.626 4.740 0.006 0.000 0.286 473 N C -0.210 175.169 175.510 -0.219 0.000 1.275 473 N CA -0.350 52.621 53.050 -0.132 0.000 0.790 473 N CB 2.204 40.658 38.487 -0.055 0.000 1.446 473 N HN 0.496 nan 8.380 nan 0.000 0.501 474 S N -0.719 114.691 115.700 -0.483 0.000 2.651 474 S HA 0.921 5.395 4.470 0.006 0.000 0.279 474 S C -1.175 173.173 174.600 -0.419 0.000 1.148 474 S CA -0.710 57.179 58.200 -0.518 0.000 0.837 474 S CB 2.057 64.743 63.200 -0.856 0.000 1.138 474 S HN 0.722 nan 8.310 nan 0.000 0.478 475 A N 0.327 123.140 122.820 -0.012 0.000 2.423 475 A HA 1.013 5.337 4.320 0.006 0.000 0.304 475 A C -0.952 176.634 177.584 0.004 0.000 1.104 475 A CA -0.599 51.598 52.037 0.268 0.000 0.757 475 A CB 1.532 20.903 19.000 0.619 0.000 1.313 475 A HN 1.431 nan 8.150 nan 0.000 0.423 476 A N -0.316 122.445 122.820 -0.097 0.000 2.594 476 A HA 0.844 5.168 4.320 0.006 0.000 0.295 476 A C -0.362 177.046 177.584 -0.293 0.000 1.071 476 A CA 0.043 51.754 52.037 -0.545 0.000 0.685 476 A CB 0.967 19.922 19.000 -0.074 0.000 1.285 476 A HN 2.437 nan 8.150 nan 0.000 0.405 477 A N -0.035 122.594 122.820 -0.317 0.000 2.310 477 A HA 0.602 4.925 4.320 0.006 0.000 0.299 477 A C -0.296 177.201 177.584 -0.146 0.000 1.147 477 A CA -0.295 51.675 52.037 -0.112 0.000 0.818 477 A CB 0.077 19.140 19.000 0.104 0.000 1.096 477 A HN 1.286 nan 8.150 nan 0.000 0.495 478 C N 2.313 121.489 119.300 -0.206 0.000 2.322 478 C HA 0.596 5.059 4.460 0.006 0.000 0.324 478 C C -0.885 174.004 174.990 -0.169 0.000 1.249 478 C CA -0.884 58.051 59.018 -0.138 0.000 1.453 478 C CB 0.360 28.048 27.740 -0.086 0.000 2.145 478 C HN 0.791 nan 8.230 nan 0.000 0.466 479 D N 2.304 122.617 120.400 -0.145 0.000 2.408 479 D HA 0.482 5.125 4.640 0.006 0.000 0.243 479 D C -0.201 175.987 176.300 -0.187 0.000 1.075 479 D CA 0.147 54.048 54.000 -0.165 0.000 0.832 479 D CB 2.136 42.849 40.800 -0.145 0.000 1.162 479 D HN 0.692 nan 8.370 nan 0.000 0.515 480 A N 3.182 125.900 122.820 -0.170 0.000 2.450 480 A HA 0.364 4.688 4.320 0.006 0.000 0.255 480 A C 0.150 177.589 177.584 -0.242 0.000 1.096 480 A CA 0.082 52.010 52.037 -0.182 0.000 0.778 480 A CB 0.360 19.264 19.000 -0.161 0.000 1.031 480 A HN 0.425 nan 8.150 nan 0.000 0.494 481 K N 2.080 122.277 120.400 -0.338 0.000 2.468 481 K HA 0.410 4.733 4.320 0.006 0.000 0.252 481 K C -0.694 175.844 176.600 -0.103 0.000 0.932 481 K CA -0.599 55.507 56.287 -0.301 0.000 0.794 481 K CB 2.206 34.416 32.500 -0.483 0.000 1.241 481 K HN 0.639 nan 8.250 nan 0.000 0.428 482 S N 1.042 116.767 115.700 0.042 0.000 2.568 482 S HA -0.016 4.458 4.470 0.006 0.000 0.282 482 S C 0.418 175.211 174.600 0.321 0.000 1.338 482 S CA -0.217 58.099 58.200 0.193 0.000 1.045 482 S CB 0.989 64.262 63.200 0.122 0.000 0.873 482 S HN 0.597 nan 8.310 nan 0.000 0.516 483 S N 2.812 118.736 115.700 0.374 0.000 2.561 483 S HA 0.035 4.508 4.470 0.006 0.000 0.294 483 S C -1.071 173.665 174.600 0.228 0.000 1.294 483 S CA -1.016 57.387 58.200 0.339 0.000 1.055 483 S CB 0.268 63.633 63.200 0.273 0.000 0.819 483 S HN 0.564 nan 8.310 nan 0.000 0.503 484 P HA 0.011 nan 4.420 nan 0.000 0.229 484 P C -0.344 176.887 177.300 -0.115 0.000 1.160 484 P CA 0.592 63.678 63.100 -0.023 0.000 0.777 484 P CB -0.058 31.560 31.700 -0.136 0.000 0.814 485 Y N 2.578 122.902 120.300 0.040 0.000 2.359 485 Y HA 0.201 4.755 4.550 0.006 0.000 0.330 485 Y C -1.402 174.516 175.900 0.029 0.000 1.143 485 Y CA -2.306 55.808 58.100 0.023 0.000 1.318 485 Y CB -0.373 38.093 38.460 0.010 0.000 1.234 485 Y HN 0.019 nan 8.280 nan 0.000 0.522 486 P HA 0.062 nan 4.420 nan 0.000 0.276 486 P C -0.650 176.701 177.300 0.084 0.000 1.244 486 P CA -0.587 62.568 63.100 0.092 0.000 0.801 486 P CB 1.056 32.791 31.700 0.058 0.000 1.006 487 L N 1.435 122.693 121.223 0.059 0.000 2.593 487 L HA 0.167 4.511 4.340 0.006 0.000 0.287 487 L C 1.469 178.339 176.870 -0.001 0.000 1.243 487 L CA 2.342 57.201 54.840 0.031 0.000 0.890 487 L CB -1.112 40.965 42.059 0.029 0.000 1.134 487 L HN 0.866 nan 8.230 nan 0.000 0.502 488 G N 2.142 110.912 108.800 -0.051 0.000 2.199 488 G HA2 -0.287 3.676 3.960 0.006 0.000 0.254 488 G HA3 -0.287 3.676 3.960 0.006 0.000 0.254 488 G C 0.327 175.193 174.900 -0.058 0.000 0.982 488 G CA 0.455 45.505 45.100 -0.083 0.000 0.632 488 G HN 1.233 nan 8.290 nan 0.000 0.529 489 S N 0.301 115.991 115.700 -0.017 0.000 2.603 489 S HA 0.589 5.062 4.470 0.006 0.000 0.268 489 S C -0.816 173.753 174.600 -0.051 0.000 1.317 489 S CA -0.495 57.704 58.200 -0.002 0.000 1.012 489 S CB 2.019 65.266 63.200 0.078 0.000 0.926 489 S HN -0.001 nan 8.310 nan 0.000 0.539 490 P HA -0.062 nan 4.420 nan 0.000 0.219 490 P C 0.728 177.954 177.300 -0.124 0.000 1.146 490 P CA 1.143 64.191 63.100 -0.087 0.000 0.808 490 P CB 0.004 31.655 31.700 -0.082 0.000 0.779 491 E N -1.871 118.209 120.200 -0.200 0.000 2.371 491 E HA -0.016 4.337 4.350 0.006 0.000 0.194 491 E C 0.704 177.219 176.600 -0.142 0.000 1.012 491 E CA 0.590 56.801 56.400 -0.314 0.000 0.860 491 E CB -0.278 28.899 29.700 -0.872 0.000 0.811 491 E HN 0.082 nan 8.360 nan 0.000 0.502 492 N N -0.386 118.288 118.700 -0.044 0.000 2.639 492 N HA 0.073 4.816 4.740 0.006 0.000 0.265 492 N C 0.157 175.679 175.510 0.021 0.000 1.689 492 N CA -0.010 53.063 53.050 0.038 0.000 0.813 492 N CB 0.049 38.604 38.487 0.113 0.000 1.353 492 N HN -0.055 nan 8.380 nan 0.000 0.510 493 M N 0.263 119.847 119.600 -0.028 0.000 2.106 493 M HA -0.038 4.446 4.480 0.006 0.000 0.259 493 M C 0.188 176.309 176.300 -0.298 0.000 1.068 493 M CA 2.034 57.215 55.300 -0.198 0.000 1.100 493 M CB -0.277 32.138 32.600 -0.308 0.000 1.351 493 M HN 0.353 nan 8.290 nan 0.000 0.404 494 Y N -0.622 119.692 120.300 0.023 0.000 2.485 494 Y HA 0.445 4.999 4.550 0.006 0.000 0.260 494 Y C 1.494 177.420 175.900 0.044 0.000 1.173 494 Y CA 0.108 58.225 58.100 0.029 0.000 1.252 494 Y CB -0.259 38.215 38.460 0.024 0.000 1.123 494 Y HN 0.449 nan 8.280 nan 0.000 0.524 495 G N 1.319 110.208 108.800 0.148 0.000 2.153 495 G HA2 -0.383 3.581 3.960 0.006 0.000 0.252 495 G HA3 -0.383 3.581 3.960 0.006 0.000 0.252 495 G C 0.973 175.964 174.900 0.153 0.000 0.994 495 G CA 0.741 45.919 45.100 0.129 0.000 0.698 495 G HN 0.563 nan 8.290 nan 0.000 0.521 496 N N 0.115 118.919 118.700 0.173 0.000 2.299 496 N HA 0.397 5.141 4.740 0.006 0.000 0.187 496 N C 1.038 176.678 175.510 0.216 0.000 1.099 496 N CA 0.727 53.889 53.050 0.186 0.000 0.867 496 N CB 0.016 38.594 38.487 0.152 0.000 0.974 496 N HN 1.006 nan 8.380 nan 0.000 0.477 497 A N 1.001 123.925 122.820 0.174 0.000 2.520 497 A HA 0.424 4.748 4.320 0.006 0.000 0.245 497 A C -0.393 177.360 177.584 0.281 0.000 1.072 497 A CA -0.204 51.917 52.037 0.140 0.000 0.761 497 A CB -0.533 18.536 19.000 0.114 0.000 1.004 497 A HN 0.484 nan 8.150 nan 0.000 0.499 498 F N 0.713 120.752 119.950 0.149 0.000 2.668 498 F HA 0.788 5.318 4.527 0.005 0.000 0.309 498 F C -1.019 174.923 175.800 0.237 0.000 1.117 498 F CA -1.484 56.625 58.000 0.182 0.000 0.951 498 F CB 0.976 40.016 39.000 0.066 0.000 1.323 498 F HN 0.776 nan 8.300 nan 0.000 0.451 499 Y N -0.818 119.652 120.300 0.284 0.000 2.728 499 Y HA 0.765 5.319 4.550 0.006 0.000 0.330 499 Y C -1.431 174.576 175.900 0.180 0.000 1.234 499 Y CA -1.766 56.414 58.100 0.134 0.000 1.070 499 Y CB 0.996 39.488 38.460 0.053 0.000 1.300 499 Y HN 0.808 nan 8.280 nan 0.000 0.467 500 S N 0.948 116.705 115.700 0.095 0.000 2.438 500 S HA 0.254 4.728 4.470 0.006 0.000 0.316 500 S C -0.899 173.710 174.600 0.013 0.000 1.084 500 S CA -0.611 57.571 58.200 -0.030 0.000 1.107 500 S CB 0.169 63.394 63.200 0.040 0.000 0.981 500 S HN 0.709 nan 8.310 nan 0.000 0.466 501 E N 4.246 124.366 120.200 -0.133 0.000 2.152 501 E HA 0.192 4.545 4.350 0.006 0.000 0.285 501 E C -0.548 176.051 176.600 -0.002 0.000 1.043 501 E CA -0.376 56.044 56.400 0.032 0.000 0.839 501 E CB 0.500 30.198 29.700 -0.004 0.000 1.069 501 E HN 0.512 nan 8.360 nan 0.000 0.399 502 K N 3.638 124.047 120.400 0.016 0.000 2.263 502 K HA 0.218 4.542 4.320 0.006 0.000 0.272 502 K C -1.200 175.390 176.600 -0.017 0.000 1.033 502 K CA -0.384 55.879 56.287 -0.040 0.000 0.884 502 K CB 1.177 33.622 32.500 -0.091 0.000 1.107 502 K HN 0.345 nan 8.250 nan 0.000 0.460 503 T N 3.474 118.012 114.554 -0.026 0.000 2.853 503 T HA 0.140 4.493 4.350 0.006 0.000 0.317 503 T C -0.510 174.154 174.700 -0.061 0.000 1.059 503 T CA -0.445 61.669 62.100 0.024 0.000 0.954 503 T CB 0.982 69.915 68.868 0.108 0.000 0.994 503 T HN 0.486 nan 8.240 nan 0.000 0.479 504 T N 4.489 119.049 114.554 0.011 0.000 2.870 504 T HA 0.275 4.629 4.350 0.006 0.000 0.300 504 T C 0.116 174.905 174.700 0.148 0.000 0.989 504 T CA -0.233 61.894 62.100 0.045 0.000 1.139 504 T CB -0.115 68.875 68.868 0.203 0.000 0.920 504 T HN 0.257 nan 8.240 nan 0.000 0.537 505 F N 3.202 123.282 119.950 0.216 0.000 2.472 505 F HA 0.335 4.865 4.527 0.005 0.000 0.364 505 F C 1.263 177.134 175.800 0.119 0.000 1.090 505 F CA -1.030 57.062 58.000 0.153 0.000 1.188 505 F CB 0.655 39.745 39.000 0.151 0.000 1.105 505 F HN 0.414 nan 8.300 nan 0.000 0.536 506 K N 0.683 121.254 120.400 0.284 0.000 2.141 506 K HA 0.061 4.384 4.320 0.006 0.000 0.202 506 K C 0.812 177.495 176.600 0.138 0.000 1.045 506 K CA 0.902 57.295 56.287 0.176 0.000 0.971 506 K CB 0.008 32.590 32.500 0.136 0.000 0.795 506 K HN 0.736 nan 8.250 nan 0.000 0.459 507 T N -3.443 111.182 114.554 0.119 0.000 2.926 507 T HA 0.306 4.659 4.350 0.006 0.000 0.289 507 T C 1.245 175.967 174.700 0.037 0.000 1.054 507 T CA -0.792 61.351 62.100 0.071 0.000 1.015 507 T CB 1.380 70.276 68.868 0.047 0.000 1.167 507 T HN -0.225 nan 8.240 nan 0.000 0.526 508 V N 1.276 121.198 119.914 0.013 0.000 2.282 508 V HA -0.187 3.936 4.120 0.006 0.000 0.249 508 V C 2.874 178.905 176.094 -0.105 0.000 1.057 508 V CA 2.424 64.704 62.300 -0.032 0.000 1.032 508 V CB -0.897 30.922 31.823 -0.008 0.000 0.645 508 V HN 1.029 nan 8.190 nan 0.000 0.447 509 K N -0.202 120.154 120.400 -0.074 0.000 2.103 509 K HA -0.254 4.069 4.320 0.006 0.000 0.207 509 K C 1.807 178.318 176.600 -0.148 0.000 1.048 509 K CA 1.930 58.156 56.287 -0.103 0.000 0.930 509 K CB -0.270 32.202 32.500 -0.048 0.000 0.716 509 K HN 0.504 nan 8.250 nan 0.000 0.444 510 D N 0.078 120.414 120.400 -0.107 0.000 2.182 510 D HA -0.139 4.505 4.640 0.006 0.000 0.201 510 D C 1.909 177.902 176.300 -0.511 0.000 0.986 510 D CA 1.588 55.527 54.000 -0.101 0.000 0.847 510 D CB -0.131 40.740 40.800 0.118 0.000 0.942 510 D HN 0.365 nan 8.370 nan 0.000 0.467 511 S N -0.003 115.217 115.700 -0.800 0.000 2.489 511 S HA -0.032 4.442 4.470 0.006 0.000 0.228 511 S C 1.212 175.324 174.600 -0.814 0.000 0.995 511 S CA -0.104 57.174 58.200 -1.537 0.000 0.934 511 S CB -0.437 62.246 63.200 -0.861 0.000 0.771 511 S HN 0.163 nan 8.310 nan 0.000 0.522 512 L N 3.736 124.643 121.223 -0.527 0.000 2.536 512 L HA 0.298 4.641 4.340 0.006 0.000 0.282 512 L C 0.164 176.872 176.870 -0.270 0.000 1.174 512 L CA -0.207 54.300 54.840 -0.554 0.000 0.989 512 L CB -0.740 40.812 42.059 -0.844 0.000 1.311 512 L HN 0.381 nan 8.230 nan 0.000 0.455 513 T N -1.165 113.395 114.554 0.009 0.000 2.903 513 T HA 0.519 4.873 4.350 0.006 0.000 0.299 513 T C -0.411 174.574 174.700 0.476 0.000 1.093 513 T CA -1.094 61.191 62.100 0.308 0.000 1.002 513 T CB 2.363 71.529 68.868 0.498 0.000 1.127 513 T HN 0.189 nan 8.240 nan 0.000 0.488 514 N N 0.285 119.275 118.700 0.484 0.000 2.404 514 N HA 0.353 5.097 4.740 0.006 0.000 0.297 514 N C -1.102 174.797 175.510 0.649 0.000 1.163 514 N CA -0.656 52.700 53.050 0.509 0.000 0.864 514 N CB 1.162 39.834 38.487 0.308 0.000 1.247 514 N HN 0.760 nan 8.380 nan 0.000 0.510 515 Y N 1.028 121.701 120.300 0.622 0.000 2.702 515 Y HA -0.017 4.537 4.550 0.006 0.000 0.336 515 Y C -0.184 175.851 175.900 0.225 0.000 1.235 515 Y CA 0.619 59.010 58.100 0.484 0.000 1.492 515 Y CB 0.482 39.239 38.460 0.494 0.000 1.308 515 Y HN 0.307 nan 8.280 nan 0.000 0.589 516 E N 3.651 123.318 120.200 -0.888 0.000 2.255 516 E HA 0.131 4.484 4.350 0.006 0.000 0.256 516 E C 0.401 176.468 176.600 -0.888 0.000 0.887 516 E CA 0.026 56.039 56.400 -0.644 0.000 0.782 516 E CB 1.559 31.081 29.700 -0.298 0.000 1.214 516 E HN 0.788 nan 8.360 nan 0.000 0.417 517 S N 1.549 116.894 115.700 -0.592 0.000 2.399 517 S HA -0.165 4.309 4.470 0.006 0.000 0.231 517 S C 1.829 176.324 174.600 -0.175 0.000 1.022 517 S CA 0.985 59.027 58.200 -0.263 0.000 0.983 517 S CB -0.068 63.124 63.200 -0.014 0.000 0.803 517 S HN 0.476 nan 8.310 nan 0.000 0.480 518 A N 1.788 124.506 122.820 -0.170 0.000 2.067 518 A HA 0.025 4.349 4.320 0.006 0.000 0.219 518 A C 2.253 179.756 177.584 -0.135 0.000 1.158 518 A CA 1.673 53.639 52.037 -0.118 0.000 0.661 518 A CB -0.881 18.064 19.000 -0.091 0.000 0.801 518 A HN 0.772 nan 8.150 nan 0.000 0.452 519 T N -5.262 109.184 114.554 -0.180 0.000 3.091 519 T HA 0.428 4.781 4.350 0.006 0.000 0.277 519 T C 1.060 175.659 174.700 -0.168 0.000 0.996 519 T CA 0.823 62.818 62.100 -0.174 0.000 0.897 519 T CB -0.087 68.676 68.868 -0.175 0.000 1.109 519 T HN 1.567 nan 8.240 nan 0.000 0.534 520 G N 2.857 111.563 108.800 -0.156 0.000 2.412 520 G HA2 -0.345 3.618 3.960 0.006 0.000 0.297 520 G HA3 -0.345 3.618 3.960 0.006 0.000 0.297 520 G C 0.018 174.902 174.900 -0.026 0.000 0.965 520 G CA 0.334 45.413 45.100 -0.034 0.000 1.134 520 G HN 0.927 nan 8.290 nan 0.000 0.511 521 R N 0.071 120.461 120.500 -0.184 0.000 2.538 521 R HA 0.356 4.700 4.340 0.006 0.000 0.282 521 R C 0.918 177.088 176.300 -0.218 0.000 1.009 521 R CA 0.766 56.694 56.100 -0.286 0.000 1.063 521 R CB 0.256 30.256 30.300 -0.500 0.000 0.945 521 R HN 0.589 nan 8.270 nan 0.000 0.414 522 S N 3.943 119.452 115.700 -0.318 0.000 2.715 522 S HA 0.603 5.077 4.470 0.006 0.000 0.307 522 S C -1.066 173.351 174.600 -0.305 0.000 1.119 522 S CA -1.001 57.088 58.200 -0.186 0.000 0.937 522 S CB 1.396 64.602 63.200 0.011 0.000 1.150 522 S HN 0.632 nan 8.310 nan 0.000 0.521 523 W N 0.547 121.956 121.300 0.181 0.000 2.785 523 W HA 0.398 5.061 4.660 0.005 0.000 0.333 523 W C -1.374 175.243 176.519 0.164 0.000 1.062 523 W CA -0.503 56.983 57.345 0.234 0.000 1.233 523 W CB 2.026 31.764 29.460 0.464 0.000 1.413 523 W HN 0.607 nan 8.180 nan 0.000 0.489 524 D N 2.283 122.906 120.400 0.372 0.000 2.168 524 D HA 0.501 5.144 4.640 0.006 0.000 0.246 524 D C -0.308 176.247 176.300 0.425 0.000 1.050 524 D CA -0.264 53.929 54.000 0.322 0.000 0.857 524 D CB 1.998 42.935 40.800 0.229 0.000 1.169 524 D HN 0.094 nan 8.370 nan 0.000 0.453 525 I N 3.228 123.996 120.570 0.330 0.000 2.362 525 I HA 0.418 4.592 4.170 0.006 0.000 0.289 525 I C -0.561 175.771 176.117 0.358 0.000 0.994 525 I CA -0.909 60.558 61.300 0.278 0.000 1.158 525 I CB 0.457 38.523 38.000 0.110 0.000 1.315 525 I HN 0.229 nan 8.210 nan 0.000 0.451 526 F N 3.417 123.454 119.950 0.144 0.000 2.664 526 F HA 0.528 5.058 4.527 0.005 0.000 0.317 526 F C -1.052 174.809 175.800 0.102 0.000 1.108 526 F CA -1.302 56.774 58.000 0.126 0.000 0.957 526 F CB 1.566 40.622 39.000 0.094 0.000 1.365 526 F HN 0.301 nan 8.300 nan 0.000 0.475 527 N N 2.024 120.871 118.700 0.245 0.000 2.564 527 N HA 0.404 5.147 4.740 0.006 0.000 0.248 527 N C -2.198 173.427 175.510 0.192 0.000 0.986 527 N CA -2.131 50.980 53.050 0.103 0.000 0.921 527 N CB 1.539 40.075 38.487 0.081 0.000 1.136 527 N HN 0.396 nan 8.380 nan 0.000 0.509 528 P HA 0.009 nan 4.420 nan 0.000 0.245 528 P C -0.162 177.203 177.300 0.108 0.000 1.212 528 P CA 0.540 63.779 63.100 0.231 0.000 0.774 528 P CB 0.287 32.125 31.700 0.229 0.000 0.999 529 N N 0.079 118.816 118.700 0.062 0.000 2.412 529 N HA 0.054 4.798 4.740 0.006 0.000 0.184 529 N C 0.521 176.040 175.510 0.016 0.000 1.101 529 N CA 0.540 53.608 53.050 0.030 0.000 0.881 529 N CB 0.534 39.029 38.487 0.012 0.000 0.969 529 N HN 0.357 nan 8.380 nan 0.000 0.459 530 K N 0.153 120.566 120.400 0.022 0.000 2.444 530 K HA 0.562 4.886 4.320 0.006 0.000 0.252 530 K C -1.307 175.289 176.600 -0.007 0.000 0.993 530 K CA -0.672 55.609 56.287 -0.011 0.000 0.847 530 K CB 3.320 35.793 32.500 -0.045 0.000 1.340 530 K HN -0.299 nan 8.250 nan 0.000 0.446 531 V N 1.395 121.289 119.914 -0.034 0.000 2.760 531 V HA 0.244 4.368 4.120 0.006 0.000 0.309 531 V C -1.188 174.873 176.094 -0.056 0.000 1.077 531 V CA -0.884 61.395 62.300 -0.034 0.000 0.910 531 V CB 1.996 33.804 31.823 -0.024 0.000 1.008 531 V HN 0.783 nan 8.190 nan 0.000 0.424 532 N N 7.547 126.221 118.700 -0.043 0.000 2.475 532 N HA 0.218 4.962 4.740 0.006 0.000 0.267 532 N C -1.713 173.776 175.510 -0.036 0.000 1.169 532 N CA -1.072 51.951 53.050 -0.045 0.000 0.947 532 N CB 2.004 40.515 38.487 0.040 0.000 1.061 532 N HN 0.482 nan 8.380 nan 0.000 0.466 533 P HA -0.074 nan 4.420 nan 0.000 0.229 533 P C 0.482 177.842 177.300 0.101 0.000 1.160 533 P CA 1.031 64.098 63.100 -0.055 0.000 0.777 533 P CB 0.179 31.791 31.700 -0.147 0.000 0.814 534 Y N 1.222 121.530 120.300 0.013 0.000 2.190 534 Y HA -0.021 4.532 4.550 0.006 0.000 0.290 534 Y C 2.887 178.802 175.900 0.026 0.000 1.115 534 Y CA 1.027 59.137 58.100 0.018 0.000 1.107 534 Y CB -1.464 37.009 38.460 0.021 0.000 1.033 534 Y HN 0.043 nan 8.280 nan 0.000 0.502 535 S N -1.110 114.727 115.700 0.229 0.000 2.461 535 S HA 0.187 4.661 4.470 0.006 0.000 0.228 535 S C 1.911 176.541 174.600 0.050 0.000 1.005 535 S CA 0.725 59.021 58.200 0.160 0.000 0.942 535 S CB -0.379 63.000 63.200 0.299 0.000 0.776 535 S HN 0.669 nan 8.310 nan 0.000 0.514 536 G N 0.955 109.774 108.800 0.031 0.000 2.159 536 G HA2 -0.209 3.755 3.960 0.006 0.000 0.256 536 G HA3 -0.209 3.755 3.960 0.006 0.000 0.256 536 G C -0.040 174.815 174.900 -0.075 0.000 0.977 536 G CA 0.356 45.446 45.100 -0.017 0.000 0.652 536 G HN 0.514 nan 8.290 nan 0.000 0.531 537 K N 0.842 121.159 120.400 -0.138 0.000 2.123 537 K HA 0.571 4.895 4.320 0.006 0.000 0.248 537 K C -2.341 174.170 176.600 -0.148 0.000 0.969 537 K CA -2.348 53.783 56.287 -0.261 0.000 0.882 537 K CB 1.579 33.660 32.500 -0.697 0.000 1.080 537 K HN 0.135 nan 8.250 nan 0.000 0.441 538 P HA 0.159 nan 4.420 nan 0.000 0.274 538 P C -2.519 174.823 177.300 0.069 0.000 1.231 538 P CA -1.433 61.676 63.100 0.015 0.000 0.790 538 P CB -0.284 31.501 31.700 0.141 0.000 0.951 539 P HA 0.034 nan 4.420 nan 0.000 0.268 539 P C -0.230 177.247 177.300 0.295 0.000 1.204 539 P CA 0.492 63.658 63.100 0.110 0.000 0.768 539 P CB 0.406 32.031 31.700 -0.125 0.000 0.842 540 S N 2.278 118.192 115.700 0.355 0.000 2.579 540 S HA 0.594 5.068 4.470 0.006 0.000 0.272 540 S C -1.592 173.181 174.600 0.289 0.000 1.141 540 S CA -0.679 57.739 58.200 0.364 0.000 0.843 540 S CB 1.080 64.453 63.200 0.290 0.000 1.122 540 S HN 0.230 nan 8.310 nan 0.000 0.468 541 Y N 1.052 121.413 120.300 0.101 0.000 2.352 541 Y HA 0.576 5.129 4.550 0.006 0.000 0.339 541 Y C 0.276 176.224 175.900 0.079 0.000 0.992 541 Y CA -0.595 57.522 58.100 0.029 0.000 1.100 541 Y CB 1.817 40.260 38.460 -0.028 0.000 1.192 541 Y HN 0.809 nan 8.280 nan 0.000 0.458 542 K N 4.248 124.706 120.400 0.096 0.000 2.213 542 K HA 0.422 4.745 4.320 0.006 0.000 0.270 542 K C -1.326 175.335 176.600 0.102 0.000 1.002 542 K CA -0.916 55.438 56.287 0.110 0.000 0.868 542 K CB 0.800 33.342 32.500 0.069 0.000 1.093 542 K HN 0.615 nan 8.250 nan 0.000 0.454 543 L N 5.900 127.198 121.223 0.125 0.000 2.315 543 L HA 0.213 4.557 4.340 0.006 0.000 0.283 543 L C -1.293 175.677 176.870 0.167 0.000 1.089 543 L CA 0.074 54.965 54.840 0.086 0.000 0.833 543 L CB 1.020 43.095 42.059 0.027 0.000 1.170 543 L HN 0.355 nan 8.230 nan 0.000 0.442 544 V N 4.953 124.915 119.914 0.080 0.000 2.313 544 V HA 0.602 4.726 4.120 0.006 0.000 0.278 544 V C -0.049 176.067 176.094 0.037 0.000 1.017 544 V CA -0.273 62.073 62.300 0.076 0.000 0.823 544 V CB 0.975 32.820 31.823 0.037 0.000 1.010 544 V HN 0.839 nan 8.190 nan 0.000 0.443 545 S N 2.831 118.575 115.700 0.072 0.000 2.689 545 S HA 0.441 4.915 4.470 0.006 0.000 0.274 545 S C 0.462 174.990 174.600 -0.120 0.000 1.176 545 S CA 0.212 58.442 58.200 0.051 0.000 1.014 545 S CB 1.754 65.066 63.200 0.187 0.000 1.071 545 S HN 0.940 nan 8.310 nan 0.000 0.478 546 T N 1.400 115.815 114.554 -0.232 0.000 2.975 546 T HA 0.291 4.644 4.350 0.006 0.000 0.257 546 T C 0.366 174.944 174.700 -0.203 0.000 1.003 546 T CA -0.054 61.717 62.100 -0.549 0.000 0.932 546 T CB -0.102 68.553 68.868 -0.355 0.000 1.087 546 T HN 0.566 nan 8.240 nan 0.000 0.512 547 Q N 1.075 120.873 119.800 -0.004 0.000 2.844 547 Q HA 0.375 4.718 4.340 0.006 0.000 0.235 547 Q C -0.971 175.146 176.000 0.195 0.000 1.336 547 Q CA -0.487 55.382 55.803 0.109 0.000 1.026 547 Q CB -0.253 28.568 28.738 0.139 0.000 1.513 547 Q HN 0.445 nan 8.270 nan 0.000 0.577 548 C N 2.912 122.322 119.300 0.182 0.000 3.002 548 C HA 0.356 4.819 4.460 0.006 0.000 0.248 548 C C -2.185 172.944 174.990 0.230 0.000 1.153 548 C CA -1.828 57.339 59.018 0.247 0.000 1.502 548 C CB -0.359 27.603 27.740 0.369 0.000 1.805 548 C HN 0.550 nan 8.230 nan 0.000 0.450 549 P HA 0.273 nan 4.420 nan 0.000 0.275 549 P C -2.211 175.147 177.300 0.098 0.000 1.228 549 P CA -0.803 62.372 63.100 0.124 0.000 0.786 549 P CB 0.090 31.836 31.700 0.076 0.000 0.927 550 P HA 0.063 nan 4.420 nan 0.000 0.271 550 P C -0.574 176.717 177.300 -0.016 0.000 1.218 550 P CA -0.326 62.796 63.100 0.036 0.000 0.780 550 P CB 0.546 32.270 31.700 0.040 0.000 0.901 551 L N 3.268 124.447 121.223 -0.072 0.000 2.433 551 L HA 0.044 4.388 4.340 0.006 0.000 0.275 551 L C 1.136 177.949 176.870 -0.095 0.000 1.128 551 L CA 0.397 55.166 54.840 -0.119 0.000 0.875 551 L CB -0.410 41.534 42.059 -0.192 0.000 1.171 551 L HN 0.332 nan 8.230 nan 0.000 0.463 552 L N 4.863 126.037 121.223 -0.081 0.000 2.209 552 L HA 0.191 4.535 4.340 0.006 0.000 0.207 552 L C 1.395 178.220 176.870 -0.074 0.000 1.094 552 L CA 0.395 55.205 54.840 -0.050 0.000 0.790 552 L CB -0.459 41.591 42.059 -0.016 0.000 0.932 552 L HN 0.829 nan 8.230 nan 0.000 0.447 553 A N 0.689 123.441 122.820 -0.114 0.000 2.540 553 A HA 0.120 4.444 4.320 0.006 0.000 0.239 553 A C 0.224 177.728 177.584 -0.135 0.000 1.061 553 A CA -0.052 51.903 52.037 -0.137 0.000 0.758 553 A CB 0.069 18.962 19.000 -0.180 0.000 0.991 553 A HN 0.036 nan 8.150 nan 0.000 0.502 554 K N 1.448 121.774 120.400 -0.123 0.000 2.219 554 K HA 0.196 4.520 4.320 0.006 0.000 0.258 554 K C 0.260 176.783 176.600 -0.128 0.000 1.008 554 K CA 0.213 56.436 56.287 -0.108 0.000 0.928 554 K CB 0.317 32.762 32.500 -0.092 0.000 0.983 554 K HN 0.769 nan 8.250 nan 0.000 0.484 555 E N 0.141 120.273 120.200 -0.113 0.000 2.502 555 E HA 0.060 4.413 4.350 0.006 0.000 0.261 555 E C 0.826 177.353 176.600 -0.121 0.000 0.974 555 E CA 0.993 57.322 56.400 -0.118 0.000 0.936 555 E CB 0.141 29.785 29.700 -0.092 0.000 0.926 555 E HN 0.758 nan 8.360 nan 0.000 0.459 556 G N 2.520 111.236 108.800 -0.140 0.000 2.205 556 G HA2 -0.362 3.602 3.960 0.006 0.000 0.261 556 G HA3 -0.362 3.602 3.960 0.006 0.000 0.261 556 G C 0.429 175.228 174.900 -0.168 0.000 0.980 556 G CA 0.408 45.421 45.100 -0.145 0.000 0.632 556 G HN 0.730 nan 8.290 nan 0.000 0.533 557 S N -0.131 115.460 115.700 -0.180 0.000 2.589 557 S HA 0.564 5.038 4.470 0.006 0.000 0.265 557 S C 1.662 176.103 174.600 -0.264 0.000 1.342 557 S CA 0.051 58.130 58.200 -0.203 0.000 1.005 557 S CB 1.354 64.432 63.200 -0.203 0.000 0.909 557 S HN 0.488 nan 8.310 nan 0.000 0.555 558 L N 1.510 122.563 121.223 -0.283 0.000 2.013 558 L HA -0.145 4.198 4.340 0.006 0.000 0.212 558 L C 2.631 179.228 176.870 -0.456 0.000 1.073 558 L CA 1.488 56.109 54.840 -0.365 0.000 0.753 558 L CB -0.638 41.214 42.059 -0.344 0.000 0.890 558 L HN 0.697 nan 8.230 nan 0.000 0.432 559 V N -0.322 119.299 119.914 -0.488 0.000 2.295 559 V HA -0.321 3.803 4.120 0.006 0.000 0.246 559 V C 2.650 178.530 176.094 -0.356 0.000 1.049 559 V CA 1.922 63.957 62.300 -0.440 0.000 1.024 559 V CB -0.859 30.752 31.823 -0.354 0.000 0.648 559 V HN 0.539 nan 8.190 nan 0.000 0.447 560 A N -0.548 122.079 122.820 -0.323 0.000 1.930 560 A HA -0.206 4.118 4.320 0.006 0.000 0.217 560 A C 2.274 179.670 177.584 -0.313 0.000 1.175 560 A CA 1.830 53.684 52.037 -0.306 0.000 0.627 560 A CB -0.369 18.484 19.000 -0.246 0.000 0.815 560 A HN 0.561 nan 8.150 nan 0.000 0.443 561 K N -0.608 119.587 120.400 -0.341 0.000 2.062 561 K HA -0.034 4.289 4.320 0.006 0.000 0.205 561 K C 2.151 178.442 176.600 -0.516 0.000 1.051 561 K CA 1.248 57.293 56.287 -0.404 0.000 0.941 561 K CB -0.129 32.093 32.500 -0.463 0.000 0.719 561 K HN 0.359 nan 8.250 nan 0.000 0.440 562 R N 0.094 120.304 120.500 -0.484 0.000 2.236 562 R HA 0.070 4.414 4.340 0.006 0.000 0.208 562 R C 0.470 176.743 176.300 -0.045 0.000 1.036 562 R CA 0.686 56.573 56.100 -0.354 0.000 1.001 562 R CB 0.302 30.497 30.300 -0.175 0.000 0.896 562 R HN 0.008 nan 8.270 nan 0.000 0.464 563 A N 1.566 124.242 122.820 -0.240 0.000 3.204 563 A HA 0.293 4.616 4.320 0.006 0.000 0.327 563 A C -2.000 175.185 177.584 -0.665 0.000 0.998 563 A CA -1.283 50.449 52.037 -0.509 0.000 0.891 563 A CB 0.538 19.058 19.000 -0.800 0.000 1.061 563 A HN -0.070 nan 8.150 nan 0.000 0.478 564 P HA -0.168 nan 4.420 nan 0.000 0.219 564 P C 1.413 178.611 177.300 -0.170 0.000 1.146 564 P CA 1.065 64.047 63.100 -0.197 0.000 0.808 564 P CB -0.208 31.456 31.700 -0.061 0.000 0.779 565 W N 0.207 121.466 121.300 -0.069 0.000 2.465 565 W HA 0.205 4.869 4.660 0.005 0.000 0.268 565 W C 1.522 178.043 176.519 0.003 0.000 1.242 565 W CA 0.655 57.976 57.345 -0.040 0.000 1.248 565 W CB -1.733 27.690 29.460 -0.061 0.000 1.118 565 W HN -0.081 nan 8.180 nan 0.000 0.587 566 A N 0.948 123.342 122.820 -0.711 0.000 2.167 566 A HA -0.008 4.316 4.320 0.006 0.000 0.214 566 A C 2.096 179.502 177.584 -0.297 0.000 1.151 566 A CA 1.307 52.961 52.037 -0.638 0.000 0.735 566 A CB -0.713 17.586 19.000 -1.168 0.000 0.802 566 A HN 0.202 nan 8.150 nan 0.000 0.467 567 S N -0.720 114.814 115.700 -0.276 0.000 2.481 567 S HA 0.020 4.493 4.470 0.006 0.000 0.231 567 S C 0.190 174.518 174.600 -0.454 0.000 0.996 567 S CA 0.559 58.559 58.200 -0.333 0.000 0.942 567 S CB -0.234 62.750 63.200 -0.359 0.000 0.768 567 S HN 0.780 nan 8.310 nan 0.000 0.520 568 H N -1.206 117.863 119.070 -0.003 0.000 2.690 568 H HA 0.402 4.962 4.556 0.006 0.000 0.368 568 H C 0.703 176.084 175.328 0.088 0.000 1.150 568 H CA -0.484 55.594 56.048 0.050 0.000 1.174 568 H CB 1.513 31.290 29.762 0.025 0.000 1.684 568 H HN -0.112 nan 8.280 nan 0.000 0.538 569 S N 0.713 116.566 115.700 0.254 0.000 2.402 569 S HA 0.010 4.484 4.470 0.006 0.000 0.229 569 S C 0.442 175.103 174.600 0.101 0.000 1.021 569 S CA 0.590 58.913 58.200 0.204 0.000 0.974 569 S CB 0.302 63.720 63.200 0.363 0.000 0.800 569 S HN 0.247 nan 8.310 nan 0.000 0.484 570 V N 2.636 122.546 119.914 -0.007 0.000 2.709 570 V HA 0.419 4.543 4.120 0.006 0.000 0.308 570 V C -1.097 174.877 176.094 -0.200 0.000 1.062 570 V CA -0.977 61.156 62.300 -0.279 0.000 0.901 570 V CB 2.056 33.437 31.823 -0.737 0.000 1.003 570 V HN 0.255 nan 8.190 nan 0.000 0.425 571 N N 3.153 121.736 118.700 -0.195 0.000 2.410 571 N HA 0.570 5.314 4.740 0.006 0.000 0.287 571 N C -1.414 174.024 175.510 -0.120 0.000 1.044 571 N CA -0.331 52.647 53.050 -0.120 0.000 0.881 571 N CB 2.786 41.301 38.487 0.046 0.000 1.405 571 N HN 0.345 nan 8.380 nan 0.000 0.490 572 V N 2.010 121.837 119.914 -0.145 0.000 2.448 572 V HA 0.525 4.648 4.120 0.006 0.000 0.295 572 V C 0.234 176.367 176.094 0.064 0.000 1.025 572 V CA -0.770 61.521 62.300 -0.015 0.000 0.859 572 V CB 1.588 33.422 31.823 0.019 0.000 0.988 572 V HN 0.492 nan 8.190 nan 0.000 0.431 573 V N 3.204 123.203 119.914 0.141 0.000 3.040 573 V HA 0.781 4.904 4.120 0.006 0.000 0.312 573 V C -2.926 173.223 176.094 0.091 0.000 1.115 573 V CA -3.066 59.303 62.300 0.116 0.000 0.998 573 V CB 2.159 34.077 31.823 0.157 0.000 1.042 573 V HN 0.616 nan 8.190 nan 0.000 0.433 574 P HA 0.134 nan 4.420 nan 0.000 0.267 574 P C -1.044 176.253 177.300 -0.006 0.000 1.200 574 P CA 0.250 63.376 63.100 0.044 0.000 0.772 574 P CB 0.004 31.719 31.700 0.025 0.000 0.855 575 Y N 3.322 123.588 120.300 -0.056 0.000 2.610 575 Y HA 0.174 4.727 4.550 0.006 0.000 0.332 575 Y C 0.245 176.071 175.900 -0.124 0.000 1.201 575 Y CA 0.893 58.932 58.100 -0.101 0.000 1.465 575 Y CB 0.331 38.743 38.460 -0.079 0.000 1.283 575 Y HN 0.244 nan 8.280 nan 0.000 0.563 576 K N 3.885 123.657 120.400 -1.046 0.000 2.508 576 K HA 0.276 4.600 4.320 0.006 0.000 0.260 576 K C -1.476 174.447 176.600 -1.128 0.000 0.949 576 K CA -0.790 55.029 56.287 -0.778 0.000 0.834 576 K CB 1.226 33.463 32.500 -0.438 0.000 1.365 576 K HN 0.565 nan 8.250 nan 0.000 0.437 577 D N 2.043 122.142 120.400 -0.502 0.000 2.423 577 D HA 0.050 4.693 4.640 0.006 0.000 0.238 577 D C 0.002 176.111 176.300 -0.318 0.000 1.142 577 D CA 0.779 54.613 54.000 -0.277 0.000 0.884 577 D CB 0.440 41.224 40.800 -0.026 0.000 1.199 577 D HN 0.540 nan 8.370 nan 0.000 0.438 578 N N 1.005 119.543 118.700 -0.271 0.000 2.800 578 N HA -0.220 4.523 4.740 0.006 0.000 0.250 578 N C -0.434 174.866 175.510 -0.350 0.000 1.078 578 N CA 0.488 53.375 53.050 -0.271 0.000 0.804 578 N CB -0.851 37.518 38.487 -0.197 0.000 1.135 578 N HN 0.469 nan 8.380 nan 0.000 0.565 579 R N 0.981 121.164 120.500 -0.529 0.000 3.235 579 R HA 0.302 4.645 4.340 0.006 0.000 0.232 579 R C 1.250 177.193 176.300 -0.594 0.000 1.475 579 R CA -0.049 55.586 56.100 -0.775 0.000 1.405 579 R CB 0.198 29.736 30.300 -1.271 0.000 1.266 579 R HN 0.252 nan 8.270 nan 0.000 0.650 580 L N 0.675 121.651 121.223 -0.412 0.000 2.433 580 L HA 0.192 4.536 4.340 0.006 0.000 0.200 580 L C -0.127 176.602 176.870 -0.236 0.000 1.059 580 L CA 0.439 54.949 54.840 -0.550 0.000 0.835 580 L CB 0.169 41.455 42.059 -1.289 0.000 1.076 580 L HN 0.329 nan 8.230 nan 0.000 0.481 581 Y N 1.188 121.659 120.300 0.285 0.000 2.417 581 Y HA 0.293 4.846 4.550 0.006 0.000 0.336 581 Y C -1.690 174.230 175.900 0.035 0.000 0.961 581 Y CA -3.345 54.827 58.100 0.121 0.000 1.215 581 Y CB 0.093 38.528 38.460 -0.042 0.000 1.120 581 Y HN -0.056 nan 8.280 nan 0.000 0.499 582 P HA -0.021 nan 4.420 nan 0.000 0.233 582 P C 0.568 177.755 177.300 -0.189 0.000 1.167 582 P CA 0.791 63.632 63.100 -0.432 0.000 0.770 582 P CB 0.571 31.973 31.700 -0.498 0.000 0.837 583 S N -0.703 115.008 115.700 0.018 0.000 2.582 583 S HA 0.474 4.948 4.470 0.006 0.000 0.234 583 S C 0.880 175.400 174.600 -0.134 0.000 0.961 583 S CA 0.342 58.634 58.200 0.153 0.000 0.953 583 S CB -0.258 63.166 63.200 0.375 0.000 0.800 583 S HN 0.492 nan 8.310 nan 0.000 0.471 584 G N 1.395 110.048 108.800 -0.245 0.000 2.662 584 G HA2 -0.140 3.824 3.960 0.006 0.000 0.686 584 G HA3 -0.140 3.824 3.960 0.006 0.000 0.686 584 G C -0.433 174.370 174.900 -0.161 0.000 1.271 584 G CA -0.453 44.455 45.100 -0.321 0.000 0.816 584 G HN 0.190 nan 8.290 nan 0.000 0.608 585 D N -0.054 120.235 120.400 -0.185 0.000 2.183 585 D HA 0.042 4.685 4.640 0.006 0.000 0.203 585 D C 0.818 176.797 176.300 -0.534 0.000 0.969 585 D CA 1.403 55.238 54.000 -0.275 0.000 0.842 585 D CB 0.006 40.608 40.800 -0.329 0.000 0.957 585 D HN 0.503 nan 8.370 nan 0.000 0.484 586 H N 0.240 119.278 119.070 -0.052 0.000 2.792 586 H HA 0.261 4.821 4.556 0.006 0.000 0.298 586 H C 0.829 176.137 175.328 -0.033 0.000 1.042 586 H CA -0.291 55.741 56.048 -0.026 0.000 1.300 586 H CB 1.709 31.467 29.762 -0.006 0.000 1.431 586 H HN -0.205 nan 8.280 nan 0.000 0.496 587 V N 3.856 123.807 119.914 0.063 0.000 2.426 587 V HA 0.010 4.133 4.120 0.006 0.000 0.242 587 V C -1.663 174.527 176.094 0.160 0.000 1.036 587 V CA 0.332 62.690 62.300 0.097 0.000 1.044 587 V CB -0.858 30.987 31.823 0.037 0.000 0.688 587 V HN 0.455 nan 8.190 nan 0.000 0.462 588 P HA 0.012 nan 4.420 nan 0.000 0.261 588 P C 0.279 177.690 177.300 0.185 0.000 1.173 588 P CA 0.939 64.097 63.100 0.096 0.000 0.760 588 P CB 0.062 31.788 31.700 0.044 0.000 0.783 589 Q N -1.560 118.379 119.800 0.232 0.000 2.362 589 Q HA -0.236 4.108 4.340 0.006 0.000 0.220 589 Q C -0.208 176.060 176.000 0.447 0.000 0.713 589 Q CA 0.524 56.528 55.803 0.335 0.000 1.345 589 Q CB -1.853 27.023 28.738 0.230 0.000 1.570 589 Q HN 0.529 nan 8.270 nan 0.000 0.701 590 W N 2.175 123.560 121.300 0.140 0.000 2.251 590 W HA 0.209 4.872 4.660 0.005 0.000 0.327 590 W C 1.312 177.752 176.519 -0.133 0.000 1.361 590 W CA 0.316 57.684 57.345 0.038 0.000 1.234 590 W CB 0.499 29.960 29.460 0.003 0.000 1.212 590 W HN 0.156 nan 8.180 nan 0.000 0.557 591 S N 3.577 118.895 115.700 -0.636 0.000 2.481 591 S HA 0.077 4.550 4.470 0.006 0.000 0.231 591 S C 1.622 175.428 174.600 -1.324 0.000 0.996 591 S CA 0.930 58.314 58.200 -1.360 0.000 0.942 591 S CB -0.410 62.238 63.200 -0.921 0.000 0.768 591 S HN 1.700 nan 8.310 nan 0.000 0.520 592 G N 0.656 108.178 108.800 -2.131 0.000 2.176 592 G HA2 -0.170 3.793 3.960 0.006 0.000 0.232 592 G HA3 -0.170 3.793 3.960 0.006 0.000 0.232 592 G C -0.456 173.779 174.900 -1.107 0.000 0.986 592 G CA 0.082 43.921 45.100 -2.102 0.000 0.643 592 G HN 0.573 nan 8.290 nan 0.000 0.522 593 D N 1.190 121.190 120.400 -0.667 0.000 2.225 593 D HA 0.554 5.198 4.640 0.006 0.000 0.248 593 D C 0.729 177.176 176.300 0.245 0.000 1.096 593 D CA 1.430 55.343 54.000 -0.144 0.000 0.863 593 D CB 1.362 42.091 40.800 -0.117 0.000 1.156 593 D HN 1.359 nan 8.370 nan 0.000 0.450 594 G N 0.174 109.099 108.800 0.209 0.000 2.406 594 G HA2 -0.066 3.898 3.960 0.006 0.000 0.680 594 G HA3 -0.066 3.898 3.960 0.006 0.000 0.680 594 G C -1.112 173.892 174.900 0.173 0.000 1.338 594 G CA -0.991 44.238 45.100 0.215 0.000 0.941 594 G HN 0.337 nan 8.290 nan 0.000 0.633 595 V N 2.275 122.223 119.914 0.057 0.000 2.284 595 V HA 0.660 4.784 4.120 0.006 0.000 0.260 595 V C 0.752 176.794 176.094 -0.086 0.000 1.084 595 V CA 0.478 62.774 62.300 -0.007 0.000 0.894 595 V CB -0.182 31.635 31.823 -0.009 0.000 1.119 595 V HN 1.034 nan 8.190 nan 0.000 0.484 596 R N 2.714 123.112 120.500 -0.170 0.000 2.766 596 R HA 0.842 5.186 4.340 0.006 0.000 0.270 596 R C 0.470 176.468 176.300 -0.505 0.000 1.035 596 R CA -0.158 55.743 56.100 -0.332 0.000 0.911 596 R CB 1.101 31.123 30.300 -0.463 0.000 1.243 596 R HN 0.783 nan 8.270 nan 0.000 0.460 597 G N 1.052 109.445 108.800 -0.678 0.000 2.594 597 G HA2 -0.428 3.535 3.960 0.006 0.000 0.297 597 G HA3 -0.428 3.535 3.960 0.006 0.000 0.297 597 G C 0.559 174.341 174.900 -1.864 0.000 1.273 597 G CA 0.851 45.264 45.100 -1.146 0.000 0.974 597 G HN 0.762 nan 8.290 nan 0.000 0.552 598 M N 0.461 119.205 119.600 -1.427 0.000 2.195 598 M HA -0.027 4.456 4.480 0.006 0.000 0.260 598 M C 2.402 178.427 176.300 -0.457 0.000 1.066 598 M CA 2.802 57.568 55.300 -0.891 0.000 1.089 598 M CB -0.570 31.811 32.600 -0.364 0.000 1.377 598 M HN 0.621 nan 8.290 nan 0.000 0.411 599 R N -0.471 119.823 120.500 -0.344 0.000 2.081 599 R HA -0.190 4.154 4.340 0.006 0.000 0.235 599 R C 2.239 178.443 176.300 -0.160 0.000 1.131 599 R CA 1.942 57.943 56.100 -0.166 0.000 0.960 599 R CB -0.349 29.912 30.300 -0.065 0.000 0.856 599 R HN 0.660 nan 8.270 nan 0.000 0.436 600 E N -0.466 119.574 120.200 -0.266 0.000 2.047 600 E HA -0.191 4.162 4.350 0.006 0.000 0.191 600 E C 1.440 178.055 176.600 0.025 0.000 0.987 600 E CA 1.286 57.606 56.400 -0.134 0.000 0.799 600 E CB -0.083 29.524 29.700 -0.155 0.000 0.752 600 E HN 0.414 nan 8.360 nan 0.000 0.449 601 W N 0.490 121.740 121.300 -0.082 0.000 2.402 601 W HA -0.021 4.642 4.660 0.005 0.000 0.286 601 W C 2.063 178.543 176.519 -0.065 0.000 1.221 601 W CA 0.218 57.511 57.345 -0.086 0.000 1.257 601 W CB -0.830 28.554 29.460 -0.127 0.000 1.120 601 W HN 0.176 nan 8.180 nan 0.000 0.551 602 I N 0.039 120.675 120.570 0.111 0.000 2.353 602 I HA -0.071 4.102 4.170 0.006 0.000 0.248 602 I C 2.178 178.314 176.117 0.031 0.000 1.119 602 I CA 1.341 62.668 61.300 0.045 0.000 1.417 602 I CB -1.064 36.931 38.000 -0.008 0.000 1.078 602 I HN 0.079 nan 8.210 nan 0.000 0.421 603 G N 2.326 111.140 108.800 0.023 0.000 2.622 603 G HA2 -0.434 3.529 3.960 0.006 0.000 0.307 603 G HA3 -0.434 3.529 3.960 0.006 0.000 0.307 603 G C 0.523 175.427 174.900 0.007 0.000 1.226 603 G CA 0.729 45.839 45.100 0.018 0.000 0.997 603 G HN 0.531 nan 8.290 nan 0.000 0.551 604 D N 1.289 121.695 120.400 0.010 0.000 2.328 604 D HA 0.380 5.024 4.640 0.006 0.000 0.226 604 D C 1.805 178.107 176.300 0.002 0.000 1.066 604 D CA 1.191 55.194 54.000 0.005 0.000 0.861 604 D CB -0.361 40.444 40.800 0.008 0.000 0.912 604 D HN 2.175 nan 8.370 nan 0.000 0.521 605 G N 0.306 109.107 108.800 0.002 0.000 2.179 605 G HA2 -0.372 3.592 3.960 0.006 0.000 0.260 605 G HA3 -0.372 3.592 3.960 0.006 0.000 0.260 605 G C 1.156 176.059 174.900 0.004 0.000 0.977 605 G CA 0.845 45.941 45.100 -0.007 0.000 0.641 605 G HN 0.721 nan 8.290 nan 0.000 0.533 606 S N -0.357 115.351 115.700 0.014 0.000 2.528 606 S HA 0.310 4.784 4.470 0.006 0.000 0.219 606 S C 0.658 175.275 174.600 0.029 0.000 0.985 606 S CA 0.748 58.960 58.200 0.021 0.000 0.914 606 S CB 0.314 63.526 63.200 0.020 0.000 0.776 606 S HN 0.619 nan 8.310 nan 0.000 0.526 607 E N 2.394 122.613 120.200 0.030 0.000 2.392 607 E HA 0.166 4.519 4.350 0.006 0.000 0.264 607 E C -0.242 176.385 176.600 0.045 0.000 1.024 607 E CA -0.367 56.055 56.400 0.036 0.000 0.903 607 E CB 0.266 29.988 29.700 0.037 0.000 0.963 607 E HN 0.421 nan 8.360 nan 0.000 0.432 608 N N 2.436 121.164 118.700 0.047 0.000 2.492 608 N HA 0.010 4.754 4.740 0.006 0.000 0.262 608 N C -0.036 175.513 175.510 0.065 0.000 1.202 608 N CA 0.256 53.340 53.050 0.057 0.000 0.926 608 N CB 0.390 38.907 38.487 0.050 0.000 1.078 608 N HN 0.543 nan 8.380 nan 0.000 0.454 609 I N -1.796 118.824 120.570 0.084 0.000 3.994 609 I HA 0.430 4.604 4.170 0.006 0.000 0.323 609 I C -0.460 175.712 176.117 0.091 0.000 1.501 609 I CA -0.547 60.811 61.300 0.097 0.000 1.112 609 I CB 0.315 38.391 38.000 0.126 0.000 1.254 609 I HN 0.242 nan 8.210 nan 0.000 0.495 610 D N 2.472 122.916 120.400 0.074 0.000 2.280 610 D HA 0.207 4.851 4.640 0.006 0.000 0.236 610 D C 0.271 176.579 176.300 0.014 0.000 1.082 610 D CA 0.069 54.097 54.000 0.047 0.000 0.834 610 D CB 0.648 41.496 40.800 0.080 0.000 1.100 610 D HN 0.252 nan 8.370 nan 0.000 0.486 611 N N 2.442 121.119 118.700 -0.038 0.000 2.708 611 N HA -0.217 4.526 4.740 0.006 0.000 0.255 611 N C -1.357 174.146 175.510 -0.011 0.000 1.046 611 N CA 1.226 54.255 53.050 -0.036 0.000 0.715 611 N CB -0.948 37.536 38.487 -0.006 0.000 0.895 611 N HN 0.535 nan 8.380 nan 0.000 0.545 612 T N -0.880 113.668 114.554 -0.010 0.000 2.645 612 T HA 0.327 4.681 4.350 0.006 0.000 0.300 612 T C -1.845 172.861 174.700 0.009 0.000 1.210 612 T CA -0.557 61.548 62.100 0.008 0.000 1.034 612 T CB 0.722 69.606 68.868 0.028 0.000 1.537 612 T HN 0.055 nan 8.240 nan 0.000 0.492 613 D N 2.371 122.785 120.400 0.022 0.000 2.316 613 D HA 0.458 5.102 4.640 0.006 0.000 0.245 613 D C 0.193 176.553 176.300 0.101 0.000 1.171 613 D CA 0.040 54.054 54.000 0.023 0.000 0.856 613 D CB 0.398 41.194 40.800 -0.006 0.000 1.090 613 D HN 0.620 nan 8.370 nan 0.000 0.476 614 I N -1.679 118.952 120.570 0.102 0.000 3.067 614 I HA 0.620 4.794 4.170 0.006 0.000 0.312 614 I C -1.140 175.080 176.117 0.172 0.000 1.073 614 I CA -1.141 60.245 61.300 0.142 0.000 1.016 614 I CB 1.933 40.017 38.000 0.140 0.000 1.227 614 I HN 0.021 nan 8.210 nan 0.000 0.456 615 L N 2.834 124.164 121.223 0.179 0.000 2.410 615 L HA 0.488 4.832 4.340 0.006 0.000 0.270 615 L C -1.506 175.503 176.870 0.230 0.000 0.983 615 L CA -0.468 54.461 54.840 0.148 0.000 0.822 615 L CB 2.375 44.519 42.059 0.141 0.000 1.285 615 L HN 0.537 nan 8.230 nan 0.000 0.409 616 F N 3.721 123.640 119.950 -0.052 0.000 2.403 616 F HA 0.545 5.075 4.527 0.006 0.000 0.355 616 F C -1.125 174.622 175.800 -0.089 0.000 1.119 616 F CA -0.739 57.276 58.000 0.025 0.000 1.007 616 F CB 0.756 39.761 39.000 0.009 0.000 1.194 616 F HN 0.105 nan 8.300 nan 0.000 0.443 617 F N 5.490 125.501 119.950 0.100 0.000 2.388 617 F HA 0.290 4.820 4.527 0.006 0.000 0.358 617 F C -0.293 175.603 175.800 0.160 0.000 1.122 617 F CA -0.634 57.457 58.000 0.152 0.000 1.056 617 F CB 0.809 39.887 39.000 0.131 0.000 1.155 617 F HN 0.442 nan 8.300 nan 0.000 0.461 618 H N 1.613 120.863 119.070 0.299 0.000 2.481 618 H HA 0.446 5.005 4.556 0.006 0.000 0.333 618 H C -0.806 174.753 175.328 0.385 0.000 1.066 618 H CA -0.641 55.560 56.048 0.255 0.000 1.209 618 H CB 1.199 31.117 29.762 0.262 0.000 1.445 618 H HN 0.494 nan 8.280 nan 0.000 0.488 619 T N 7.559 122.119 114.554 0.010 0.000 2.744 619 T HA 0.399 4.753 4.350 0.006 0.000 0.291 619 T C -0.794 173.847 174.700 -0.097 0.000 0.957 619 T CA -0.272 61.898 62.100 0.118 0.000 1.002 619 T CB -0.425 68.595 68.868 0.253 0.000 0.919 619 T HN 0.486 nan 8.240 nan 0.000 0.468 620 F N 0.443 120.333 119.950 -0.101 0.000 2.692 620 F HA 0.965 5.496 4.527 0.006 0.000 0.320 620 F C 0.147 176.089 175.800 0.238 0.000 1.123 620 F CA -0.862 57.120 58.000 -0.030 0.000 0.961 620 F CB 1.096 40.034 39.000 -0.104 0.000 1.383 620 F HN 0.860 nan 8.300 nan 0.000 0.483 621 G N 0.326 109.220 108.800 0.157 0.000 2.356 621 G HA2 0.431 4.395 3.960 0.006 0.000 0.266 621 G HA3 0.431 4.395 3.960 0.006 0.000 0.266 621 G C -2.001 173.010 174.900 0.185 0.000 1.312 621 G CA -0.326 44.883 45.100 0.182 0.000 0.922 621 G HN 1.571 nan 8.290 nan 0.000 0.480 622 I N -2.944 117.729 120.570 0.172 0.000 3.095 622 I HA 0.860 5.034 4.170 0.006 0.000 0.310 622 I C -0.720 175.429 176.117 0.053 0.000 1.196 622 I CA -1.028 60.336 61.300 0.108 0.000 0.985 622 I CB 2.326 40.372 38.000 0.076 0.000 1.250 622 I HN 0.479 nan 8.210 nan 0.000 0.446 623 T N 1.396 115.942 114.554 -0.014 0.000 2.770 623 T HA 0.339 4.693 4.350 0.006 0.000 0.283 623 T C -1.014 173.532 174.700 -0.257 0.000 0.988 623 T CA -0.158 61.837 62.100 -0.174 0.000 0.957 623 T CB 0.199 68.984 68.868 -0.139 0.000 0.930 623 T HN 0.644 nan 8.240 nan 0.000 0.443 624 H N 2.822 121.532 119.070 -0.600 0.000 2.595 624 H HA 0.440 5.000 4.556 0.006 0.000 0.313 624 H C -1.195 173.716 175.328 -0.696 0.000 1.023 624 H CA -1.111 54.611 56.048 -0.542 0.000 1.218 624 H CB 0.339 29.725 29.762 -0.627 0.000 1.403 624 H HN 0.435 nan 8.280 nan 0.000 0.477 625 F N 6.706 126.758 119.950 0.170 0.000 2.308 625 F HA 0.287 4.818 4.527 0.006 0.000 0.370 625 F C -1.993 173.891 175.800 0.139 0.000 1.100 625 F CA -2.429 55.620 58.000 0.081 0.000 1.108 625 F CB 0.857 39.897 39.000 0.067 0.000 1.293 625 F HN 0.520 nan 8.300 nan 0.000 0.478 626 P HA 0.279 nan 4.420 nan 0.000 0.267 626 P C -0.721 176.683 177.300 0.173 0.000 1.200 626 P CA -0.034 63.135 63.100 0.114 0.000 0.772 626 P CB 0.871 32.574 31.700 0.005 0.000 0.855 627 A N 3.672 126.602 122.820 0.183 0.000 2.479 627 A HA 0.623 4.946 4.320 0.006 0.000 0.296 627 A C -2.091 175.575 177.584 0.137 0.000 1.121 627 A CA -1.485 50.634 52.037 0.136 0.000 0.743 627 A CB 0.680 19.757 19.000 0.129 0.000 1.323 627 A HN 0.251 nan 8.150 nan 0.000 0.415 628 P HA -0.136 nan 4.420 nan 0.000 0.218 628 P C 0.754 178.158 177.300 0.173 0.000 1.148 628 P CA 1.464 64.653 63.100 0.149 0.000 0.822 628 P CB 0.239 32.011 31.700 0.120 0.000 0.784 629 E N -0.431 119.847 120.200 0.129 0.000 2.171 629 E HA -0.190 4.163 4.350 0.006 0.000 0.197 629 E C 1.336 178.004 176.600 0.113 0.000 0.997 629 E CA 1.225 57.688 56.400 0.104 0.000 0.810 629 E CB -0.794 28.952 29.700 0.076 0.000 0.738 629 E HN 0.331 nan 8.360 nan 0.000 0.467 630 D N -1.114 119.384 120.400 0.164 0.000 2.363 630 D HA -0.007 4.637 4.640 0.006 0.000 0.220 630 D C -0.324 176.103 176.300 0.212 0.000 0.994 630 D CA 0.453 54.561 54.000 0.180 0.000 0.890 630 D CB 0.090 41.050 40.800 0.266 0.000 0.906 630 D HN 0.056 nan 8.370 nan 0.000 0.530 631 F N 0.706 120.677 119.950 0.035 0.000 2.546 631 F HA 0.323 4.853 4.527 0.006 0.000 0.320 631 F C -1.777 174.036 175.800 0.022 0.000 1.076 631 F CA -2.337 55.678 58.000 0.024 0.000 0.928 631 F CB 2.182 41.210 39.000 0.046 0.000 1.189 631 F HN -0.308 nan 8.300 nan 0.000 0.465 632 P HA 0.069 nan 4.420 nan 0.000 0.241 632 P C -0.730 176.218 177.300 -0.585 0.000 1.191 632 P CA 0.659 62.983 63.100 -1.292 0.000 0.771 632 P CB 0.730 31.949 31.700 -0.802 0.000 0.929 633 L N -0.266 120.723 121.223 -0.389 0.000 2.436 633 L HA 0.505 4.849 4.340 0.006 0.000 0.268 633 L C -0.857 175.860 176.870 -0.255 0.000 0.974 633 L CA -1.309 53.253 54.840 -0.464 0.000 0.826 633 L CB 2.176 43.698 42.059 -0.895 0.000 1.291 633 L HN -0.244 nan 8.230 nan 0.000 0.406 634 M N 6.541 126.029 119.600 -0.186 0.000 2.144 634 M HA 0.505 4.988 4.480 0.006 0.000 0.356 634 M C -2.252 173.979 176.300 -0.114 0.000 1.217 634 M CA -1.484 53.765 55.300 -0.085 0.000 1.087 634 M CB 1.354 33.945 32.600 -0.014 0.000 1.609 634 M HN 0.452 nan 8.290 nan 0.000 0.467 635 P HA 0.084 nan 4.420 nan 0.000 0.269 635 P C -1.227 176.019 177.300 -0.091 0.000 1.209 635 P CA -0.145 62.905 63.100 -0.083 0.000 0.776 635 P CB 0.502 32.169 31.700 -0.054 0.000 0.876 636 A N 2.363 125.126 122.820 -0.095 0.000 2.546 636 A HA 0.029 4.353 4.320 0.006 0.000 0.243 636 A C 0.344 177.868 177.584 -0.100 0.000 1.063 636 A CA 0.348 52.324 52.037 -0.101 0.000 0.757 636 A CB -0.493 18.459 19.000 -0.080 0.000 0.991 636 A HN 0.582 nan 8.150 nan 0.000 0.503 637 E N 3.496 123.620 120.200 -0.127 0.000 2.145 637 E HA 0.445 4.799 4.350 0.006 0.000 0.270 637 E C -2.616 173.921 176.600 -0.105 0.000 0.906 637 E CA -2.239 54.085 56.400 -0.127 0.000 0.761 637 E CB 1.750 31.337 29.700 -0.189 0.000 1.116 637 E HN 0.521 nan 8.360 nan 0.000 0.408 638 P HA 0.362 nan 4.420 nan 0.000 0.286 638 P C -0.723 176.553 177.300 -0.040 0.000 1.261 638 P CA -0.327 62.737 63.100 -0.061 0.000 0.821 638 P CB 1.385 33.050 31.700 -0.060 0.000 1.013 639 I N 0.601 121.153 120.570 -0.031 0.000 2.686 639 I HA 0.542 4.715 4.170 0.006 0.000 0.295 639 I C -0.012 176.088 176.117 -0.027 0.000 1.114 639 I CA -0.528 60.781 61.300 0.013 0.000 1.038 639 I CB 2.611 40.653 38.000 0.070 0.000 1.238 639 I HN 0.268 nan 8.210 nan 0.000 0.420 640 T N 5.558 120.089 114.554 -0.039 0.000 2.853 640 T HA 0.823 5.176 4.350 0.006 0.000 0.311 640 T C -1.824 172.772 174.700 -0.174 0.000 1.307 640 T CA -0.483 61.540 62.100 -0.129 0.000 1.019 640 T CB 1.592 70.396 68.868 -0.107 0.000 1.264 640 T HN 0.551 nan 8.240 nan 0.000 0.497 641 L N 1.094 122.159 121.223 -0.264 0.000 2.469 641 L HA 0.939 5.283 4.340 0.006 0.000 0.256 641 L C -1.154 175.599 176.870 -0.196 0.000 1.006 641 L CA -1.005 53.689 54.840 -0.243 0.000 0.832 641 L CB 2.177 43.993 42.059 -0.406 0.000 1.421 641 L HN 0.823 nan 8.230 nan 0.000 0.410 642 M N 2.166 121.692 119.600 -0.123 0.000 2.501 642 M HA 0.690 5.173 4.480 0.006 0.000 0.293 642 M C -2.155 174.129 176.300 -0.027 0.000 1.192 642 M CA -0.543 54.712 55.300 -0.076 0.000 0.886 642 M CB 2.357 34.931 32.600 -0.043 0.000 1.710 642 M HN 0.736 nan 8.290 nan 0.000 0.457 643 L N 4.639 125.883 121.223 0.035 0.000 2.318 643 L HA 0.574 4.917 4.340 0.006 0.000 0.277 643 L C -0.728 176.264 176.870 0.203 0.000 1.008 643 L CA -0.426 54.515 54.840 0.167 0.000 0.846 643 L CB 1.421 43.657 42.059 0.296 0.000 1.220 643 L HN 0.680 nan 8.230 nan 0.000 0.423 644 R N 4.279 124.793 120.500 0.024 0.000 2.460 644 R HA 0.457 4.800 4.340 0.006 0.000 0.303 644 R C -2.538 173.408 176.300 -0.589 0.000 0.968 644 R CA -1.914 54.081 56.100 -0.175 0.000 0.889 644 R CB 1.531 31.774 30.300 -0.094 0.000 1.123 644 R HN 0.245 nan 8.270 nan 0.000 0.455 645 P HA 0.103 nan 4.420 nan 0.000 0.276 645 P C -0.945 176.143 177.300 -0.353 0.000 1.243 645 P CA -0.156 62.321 63.100 -1.037 0.000 0.768 645 P CB 0.832 32.117 31.700 -0.693 0.000 0.856 646 R N 3.135 123.509 120.500 -0.211 0.000 2.502 646 R HA 0.278 4.621 4.340 0.006 0.000 0.300 646 R C 0.641 176.938 176.300 -0.006 0.000 0.984 646 R CA -0.689 55.327 56.100 -0.139 0.000 0.882 646 R CB 0.368 30.628 30.300 -0.066 0.000 1.180 646 R HN 0.658 nan 8.270 nan 0.000 0.444 647 H N 0.871 119.960 119.070 0.031 0.000 3.395 647 H HA -0.234 4.325 4.556 0.006 0.000 0.222 647 H C 0.795 176.123 175.328 -0.001 0.000 1.099 647 H CA 1.315 57.375 56.048 0.021 0.000 1.182 647 H CB -1.200 28.564 29.762 0.002 0.000 1.188 647 H HN 0.558 nan 8.280 nan 0.000 0.317 648 F N 0.665 120.541 119.950 -0.123 0.000 2.118 648 F HA 0.106 4.636 4.527 0.006 0.000 0.293 648 F C 1.139 176.683 175.800 -0.426 0.000 1.102 648 F CA 0.830 58.643 58.000 -0.312 0.000 1.247 648 F CB 0.129 38.820 39.000 -0.515 0.000 1.017 648 F HN -0.065 nan 8.300 nan 0.000 0.475 649 F N -0.047 119.977 119.950 0.123 0.000 2.380 649 F HA 0.222 4.753 4.527 0.006 0.000 0.321 649 F C 1.761 177.534 175.800 -0.045 0.000 1.103 649 F CA -0.078 57.930 58.000 0.013 0.000 1.067 649 F CB 0.577 39.587 39.000 0.016 0.000 1.265 649 F HN -0.170 nan 8.300 nan 0.000 0.517 650 T N -2.983 111.648 114.554 0.128 0.000 3.081 650 T HA 0.173 4.526 4.350 0.006 0.000 0.255 650 T C -0.017 174.770 174.700 0.145 0.000 1.113 650 T CA 0.393 62.483 62.100 -0.017 0.000 1.082 650 T CB -0.544 68.113 68.868 -0.351 0.000 0.939 650 T HN 0.733 nan 8.240 nan 0.000 0.506 651 E N 0.192 120.475 120.200 0.139 0.000 2.429 651 E HA 0.296 4.649 4.350 0.006 0.000 0.280 651 E C -1.351 175.249 176.600 -0.001 0.000 1.068 651 E CA -1.221 55.227 56.400 0.081 0.000 0.837 651 E CB 0.145 29.887 29.700 0.071 0.000 1.357 651 E HN -0.107 nan 8.360 nan 0.000 0.455 652 N N 2.005 120.664 118.700 -0.068 0.000 2.315 652 N HA -0.023 4.720 4.740 0.006 0.000 0.270 652 N C -1.400 174.000 175.510 -0.184 0.000 1.329 652 N CA -1.067 51.898 53.050 -0.141 0.000 0.860 652 N CB 0.677 39.041 38.487 -0.205 0.000 1.095 652 N HN 0.382 nan 8.380 nan 0.000 0.487 653 P HA 0.072 nan 4.420 nan 0.000 0.241 653 P C 0.824 178.033 177.300 -0.153 0.000 1.191 653 P CA 0.544 63.386 63.100 -0.431 0.000 0.771 653 P CB 0.090 31.085 31.700 -1.176 0.000 0.929 654 G N -0.165 108.617 108.800 -0.029 0.000 3.042 654 G HA2 0.026 3.989 3.960 0.006 0.000 0.212 654 G HA3 0.026 3.989 3.960 0.006 0.000 0.212 654 G C 1.280 176.329 174.900 0.248 0.000 1.166 654 G CA -0.139 45.050 45.100 0.147 0.000 0.767 654 G HN 0.195 nan 8.290 nan 0.000 0.546 655 L N 1.101 122.380 121.223 0.094 0.000 2.362 655 L HA 0.011 4.354 4.340 0.006 0.000 0.219 655 L C 1.935 178.871 176.870 0.111 0.000 1.134 655 L CA 0.961 55.840 54.840 0.064 0.000 0.807 655 L CB -0.053 41.950 42.059 -0.094 0.000 0.927 655 L HN 0.258 nan 8.230 nan 0.000 0.447 656 D N -0.196 120.269 120.400 0.108 0.000 2.328 656 D HA 0.026 4.670 4.640 0.006 0.000 0.221 656 D C 0.661 177.004 176.300 0.071 0.000 1.072 656 D CA -0.057 53.998 54.000 0.092 0.000 0.850 656 D CB -0.161 40.716 40.800 0.128 0.000 0.922 656 D HN 0.203 nan 8.370 nan 0.000 0.516 657 I N 1.612 122.236 120.570 0.090 0.000 2.496 657 I HA -0.021 4.153 4.170 0.006 0.000 0.285 657 I C 0.794 176.945 176.117 0.058 0.000 1.080 657 I CA -0.476 60.853 61.300 0.050 0.000 1.404 657 I CB 0.716 38.734 38.000 0.031 0.000 1.403 657 I HN -0.202 nan 8.210 nan 0.000 0.539 658 Q N 6.972 126.789 119.800 0.027 0.000 2.274 658 Q HA 0.142 4.486 4.340 0.006 0.000 0.280 658 Q C -2.122 173.894 176.000 0.028 0.000 1.047 658 Q CA -1.315 54.504 55.803 0.027 0.000 0.907 658 Q CB 0.058 28.803 28.738 0.013 0.000 1.171 658 Q HN 0.306 nan 8.270 nan 0.000 0.381 659 P HA 0.042 nan 4.420 nan 0.000 0.269 659 P C 0.316 177.637 177.300 0.035 0.000 1.215 659 P CA 0.061 63.187 63.100 0.044 0.000 0.780 659 P CB 0.693 32.428 31.700 0.057 0.000 0.898 660 S N -0.046 115.680 115.700 0.044 0.000 2.406 660 S HA -0.053 4.420 4.470 0.006 0.000 0.228 660 S C 0.165 174.861 174.600 0.159 0.000 1.020 660 S CA 1.179 59.423 58.200 0.073 0.000 0.965 660 S CB -0.433 62.800 63.200 0.053 0.000 0.798 660 S HN 0.605 nan 8.310 nan 0.000 0.488 661 Y N -0.126 120.183 120.300 0.015 0.000 2.482 661 Y HA 0.565 5.119 4.550 0.006 0.000 0.334 661 Y C -1.515 174.406 175.900 0.036 0.000 1.091 661 Y CA -1.169 56.944 58.100 0.022 0.000 1.027 661 Y CB 0.974 39.445 38.460 0.017 0.000 1.306 661 Y HN -0.037 nan 8.280 nan 0.000 0.446 662 A N 6.132 128.537 122.820 -0.692 0.000 2.437 662 A HA 0.765 5.088 4.320 0.006 0.000 0.293 662 A C -1.965 175.256 177.584 -0.605 0.000 1.038 662 A CA -0.528 51.224 52.037 -0.476 0.000 0.708 662 A CB 1.395 20.289 19.000 -0.177 0.000 1.251 662 A HN 0.740 nan 8.150 nan 0.000 0.409 663 M N 2.641 122.007 119.600 -0.389 0.000 2.267 663 M HA 0.535 5.018 4.480 0.006 0.000 0.289 663 M C 0.171 176.430 176.300 -0.069 0.000 1.043 663 M CA 0.022 55.201 55.300 -0.203 0.000 0.928 663 M CB 1.938 34.480 32.600 -0.098 0.000 1.613 663 M HN 0.918 nan 8.290 nan 0.000 0.450 664 T N 0.513 115.035 114.554 -0.053 0.000 2.824 664 T HA 0.364 4.718 4.350 0.006 0.000 0.277 664 T C 0.886 175.577 174.700 -0.015 0.000 0.975 664 T CA -0.184 61.901 62.100 -0.024 0.000 0.966 664 T CB 0.627 69.480 68.868 -0.026 0.000 1.054 664 T HN 0.699 nan 8.240 nan 0.000 0.533 665 T N 1.397 115.942 114.554 -0.014 0.000 2.720 665 T HA -0.146 4.207 4.350 0.006 0.000 0.268 665 T C 2.382 177.069 174.700 -0.021 0.000 1.037 665 T CA 1.933 64.020 62.100 -0.021 0.000 1.144 665 T CB -0.734 68.116 68.868 -0.030 0.000 0.864 665 T HN 0.870 nan 8.240 nan 0.000 0.444 666 S N 1.645 117.333 115.700 -0.020 0.000 2.383 666 S HA -0.095 4.378 4.470 0.006 0.000 0.227 666 S C 1.889 176.480 174.600 -0.015 0.000 1.026 666 S CA 1.027 59.216 58.200 -0.018 0.000 0.981 666 S CB -0.418 62.771 63.200 -0.018 0.000 0.818 666 S HN 0.567 nan 8.310 nan 0.000 0.472 667 E N 1.790 121.980 120.200 -0.017 0.000 2.072 667 E HA 0.007 4.361 4.350 0.006 0.000 0.191 667 E C 2.432 179.030 176.600 -0.003 0.000 0.985 667 E CA 0.968 57.359 56.400 -0.014 0.000 0.801 667 E CB -0.432 29.252 29.700 -0.026 0.000 0.750 667 E HN 0.697 nan 8.360 nan 0.000 0.452 668 A N 1.551 124.371 122.820 -0.000 0.000 1.902 668 A HA -0.239 4.085 4.320 0.006 0.000 0.217 668 A C 1.938 179.523 177.584 0.001 0.000 1.181 668 A CA 1.494 53.537 52.037 0.010 0.000 0.623 668 A CB -0.278 18.728 19.000 0.010 0.000 0.818 668 A HN 0.044 nan 8.150 nan 0.000 0.443 669 K N -0.785 119.610 120.400 -0.008 0.000 2.026 669 K HA -0.093 4.230 4.320 0.006 0.000 0.208 669 K C 2.286 178.883 176.600 -0.006 0.000 1.048 669 K CA 1.361 57.642 56.287 -0.011 0.000 0.929 669 K CB -0.198 32.292 32.500 -0.016 0.000 0.713 669 K HN 0.337 nan 8.250 nan 0.000 0.439 670 R N 0.265 120.762 120.500 -0.005 0.000 2.152 670 R HA -0.054 4.290 4.340 0.006 0.000 0.232 670 R C 1.283 177.584 176.300 0.002 0.000 1.117 670 R CA 0.934 57.032 56.100 -0.003 0.000 0.981 670 R CB -0.081 30.217 30.300 -0.004 0.000 0.870 670 R HN 0.098 nan 8.270 nan 0.000 0.451 671 A N 1.052 123.876 122.820 0.007 0.000 2.648 671 A HA 0.302 4.626 4.320 0.006 0.000 0.269 671 A C 0.142 177.733 177.584 0.011 0.000 1.392 671 A CA -0.191 51.854 52.037 0.013 0.000 1.019 671 A CB -0.273 18.741 19.000 0.025 0.000 1.009 671 A HN 0.050 nan 8.150 nan 0.000 0.565 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.124 4.120 0.006 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.825 31.823 0.004 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556