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 3cp2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFYPDPFDVI IIGGGHAGTE AAMAAARMGQ QTLLLTHNID TLGQMSCNPA DATA SEQUENCE IGGIGKGHLV KEVDALGGLM AKAIDQAGIQ FRILNASKGP AVRATRAQAD DATA SEQUENCE RVLYRQAVRT ALENQPNLMI FQQAVEDLIV ENDRVVGAVT QMGLKFRAKA DATA SEQUENCE VVLTVGTFXX XXXXXXXXXX XXXXXXXXXX IPLSRRLREL PLRVGRLKTG DATA SEQUENCE TPPRIDARTI DFSVLAQQHG DNPMPVFSFM GNASQHPQQV PCYITHTNXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXDR NQHQIFLEPE DATA SEQUENCE GLTSNEIYPN GISTSLPFDV QMQIVRSMQG MENAKIVRPG YAIEYDFFDP DATA SEQUENCE RDLKPTLESK FIQGLFFAGQ INGTTGYEEA AAQGLLAGLN AARLSADKEG DATA SEQUENCE WAPARSQAYL GVLVDDLCTL GTKEPYRMFT SRAEYRLMLR EDNADLRLTE DATA SEQUENCE IGRELGLVDD ERWARFNEKL ENIERERQRL KSTWVTPSAE AAAEVNAHLT DATA SEQUENCE APLSREASGE DLLRRPEMTY EKLTTLTPFA PALTDEQAAE QVEIQVKYEG DATA SEQUENCE YIA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.348 176.300 0.081 0.000 1.140 1 M CA 0.000 55.341 55.300 0.069 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 F N 2.454 122.370 119.950 -0.056 0.000 2.331 2 F HA 0.613 5.141 4.527 0.002 0.000 0.293 2 F C -0.484 175.248 175.800 -0.113 0.000 1.277 2 F CA 0.464 58.421 58.000 -0.071 0.000 1.204 2 F CB 0.609 39.579 39.000 -0.050 0.000 1.374 2 F HN 0.626 nan 8.300 nan 0.000 0.520 3 Y N 2.905 123.023 120.300 -0.303 0.000 2.376 3 Y HA 0.344 4.895 4.550 0.002 0.000 0.340 3 Y C -1.824 174.020 175.900 -0.094 0.000 0.965 3 Y CA -2.295 55.598 58.100 -0.345 0.000 1.078 3 Y CB 1.101 39.051 38.460 -0.850 0.000 1.193 3 Y HN 0.348 nan 8.280 nan 0.000 0.452 4 P HA -0.258 nan 4.420 nan 0.000 0.215 4 P C -0.686 176.520 177.300 -0.157 0.000 0.896 4 P CA 1.837 64.682 63.100 -0.424 0.000 1.030 4 P CB 0.046 31.323 31.700 -0.705 0.000 0.731 5 D N 0.468 120.792 120.400 -0.127 0.000 2.345 5 D HA 0.182 4.823 4.640 0.002 0.000 0.247 5 D C -2.115 174.159 176.300 -0.043 0.000 1.108 5 D CA -1.256 52.710 54.000 -0.057 0.000 0.894 5 D CB -0.349 40.375 40.800 -0.127 0.000 1.203 5 D HN 0.210 nan 8.370 nan 0.000 0.430 6 P HA 0.339 nan 4.420 nan 0.000 0.286 6 P C -0.984 176.200 177.300 -0.193 0.000 1.261 6 P CA -0.524 62.567 63.100 -0.015 0.000 0.821 6 P CB 0.651 32.393 31.700 0.070 0.000 1.013 7 F N 0.777 120.784 119.950 0.096 0.000 2.425 7 F HA 0.233 4.761 4.527 0.002 0.000 0.331 7 F C 1.689 177.508 175.800 0.033 0.000 1.085 7 F CA -0.071 57.955 58.000 0.043 0.000 1.028 7 F CB 0.907 39.904 39.000 -0.004 0.000 1.177 7 F HN 0.241 nan 8.300 nan 0.000 0.487 8 D N 0.767 121.307 120.400 0.232 0.000 2.103 8 D HA 0.000 4.642 4.640 0.002 0.000 0.199 8 D C 0.010 176.374 176.300 0.106 0.000 0.978 8 D CA 1.532 55.612 54.000 0.133 0.000 0.829 8 D CB 0.232 41.084 40.800 0.088 0.000 0.981 8 D HN 0.052 nan 8.370 nan 0.000 0.464 9 V N 1.833 121.799 119.914 0.086 0.000 2.525 9 V HA 0.340 4.461 4.120 0.002 0.000 0.299 9 V C -0.080 175.945 176.094 -0.114 0.000 1.034 9 V CA -0.679 61.612 62.300 -0.014 0.000 0.863 9 V CB 2.321 34.113 31.823 -0.051 0.000 0.999 9 V HN -0.062 nan 8.190 nan 0.000 0.423 10 I N 5.355 125.845 120.570 -0.134 0.000 2.392 10 I HA 0.512 4.684 4.170 0.002 0.000 0.295 10 I C -0.816 175.185 176.117 -0.193 0.000 0.985 10 I CA -0.652 60.501 61.300 -0.245 0.000 1.221 10 I CB 1.778 39.646 38.000 -0.220 0.000 1.366 10 I HN 0.321 nan 8.210 nan 0.000 0.467 11 I N 6.681 127.112 120.570 -0.231 0.000 2.389 11 I HA 0.443 4.614 4.170 0.002 0.000 0.288 11 I C -0.052 175.957 176.117 -0.180 0.000 0.999 11 I CA -0.530 60.666 61.300 -0.172 0.000 1.129 11 I CB 1.461 39.366 38.000 -0.157 0.000 1.288 11 I HN 0.414 nan 8.210 nan 0.000 0.444 12 I N 4.444 124.935 120.570 -0.132 0.000 2.437 12 I HA 0.620 4.791 4.170 0.002 0.000 0.298 12 I C 1.199 177.269 176.117 -0.078 0.000 0.984 12 I CA 0.140 61.370 61.300 -0.118 0.000 1.214 12 I CB 1.642 39.593 38.000 -0.082 0.000 1.365 12 I HN 0.856 nan 8.210 nan 0.000 0.469 13 G N 3.864 112.604 108.800 -0.100 0.000 3.757 13 G HA2 -0.244 3.717 3.960 0.002 0.000 0.215 13 G HA3 -0.244 3.717 3.960 0.002 0.000 0.215 13 G C 0.924 175.792 174.900 -0.055 0.000 1.411 13 G CA 0.170 45.270 45.100 -0.001 0.000 0.896 13 G HN 1.678 nan 8.290 nan 0.000 0.581 14 G N 0.675 109.444 108.800 -0.051 0.000 2.325 14 G HA2 0.232 4.193 3.960 0.002 0.000 0.274 14 G HA3 0.232 4.193 3.960 0.002 0.000 0.274 14 G C 1.363 176.253 174.900 -0.017 0.000 0.921 14 G CA 1.200 46.266 45.100 -0.057 0.000 1.340 14 G HN 2.014 nan 8.290 nan 0.000 0.447 15 G N -0.614 108.197 108.800 0.017 0.000 2.805 15 G HA2 0.335 4.296 3.960 0.002 0.000 0.214 15 G HA3 0.335 4.296 3.960 0.002 0.000 0.214 15 G C 1.024 175.833 174.900 -0.152 0.000 1.220 15 G CA 0.976 46.073 45.100 -0.005 0.000 0.854 15 G HN 0.537 nan 8.290 nan 0.000 0.623 16 H N -0.847 118.247 119.070 0.040 0.000 2.348 16 H HA 0.318 4.875 4.556 0.002 0.000 0.233 16 H C 2.696 178.058 175.328 0.056 0.000 0.889 16 H CA 0.590 56.666 56.048 0.047 0.000 1.034 16 H CB 0.495 30.301 29.762 0.072 0.000 1.393 16 H HN 0.346 nan 8.280 nan 0.000 0.422 17 A N 1.069 124.005 122.820 0.193 0.000 1.872 17 A HA -0.004 4.317 4.320 0.002 0.000 0.214 17 A C 2.511 180.139 177.584 0.074 0.000 1.187 17 A CA 1.622 53.738 52.037 0.131 0.000 0.614 17 A CB -1.189 17.891 19.000 0.133 0.000 0.826 17 A HN 0.405 nan 8.150 nan 0.000 0.442 18 G N -0.457 108.375 108.800 0.052 0.000 2.586 18 G HA2 -0.365 3.596 3.960 0.002 0.000 0.218 18 G HA3 -0.365 3.596 3.960 0.002 0.000 0.218 18 G C 1.831 176.717 174.900 -0.024 0.000 1.216 18 G CA 2.761 47.862 45.100 0.001 0.000 0.786 18 G HN 0.710 nan 8.290 nan 0.000 0.583 19 T N 0.124 114.659 114.554 -0.033 0.000 2.649 19 T HA -0.233 4.118 4.350 0.002 0.000 0.268 19 T C 2.142 176.824 174.700 -0.030 0.000 1.036 19 T CA 2.307 64.375 62.100 -0.053 0.000 1.157 19 T CB -0.411 68.407 68.868 -0.082 0.000 0.861 19 T HN 0.305 nan 8.240 nan 0.000 0.445 20 E N 0.934 121.138 120.200 0.007 0.000 2.110 20 E HA 0.018 4.369 4.350 0.002 0.000 0.193 20 E C 2.563 179.165 176.600 0.004 0.000 0.988 20 E CA 1.235 57.647 56.400 0.020 0.000 0.804 20 E CB -0.710 29.026 29.700 0.060 0.000 0.745 20 E HN 0.753 nan 8.360 nan 0.000 0.458 21 A N 0.945 123.764 122.820 -0.003 0.000 2.066 21 A HA 0.053 4.374 4.320 0.002 0.000 0.218 21 A C 2.216 179.766 177.584 -0.056 0.000 1.157 21 A CA 1.450 53.471 52.037 -0.027 0.000 0.670 21 A CB -0.195 18.788 19.000 -0.029 0.000 0.804 21 A HN 0.244 nan 8.150 nan 0.000 0.453 22 A N -0.393 122.392 122.820 -0.059 0.000 1.832 22 A HA 0.054 4.375 4.320 0.002 0.000 0.214 22 A C 1.991 179.539 177.584 -0.060 0.000 1.242 22 A CA 1.434 53.425 52.037 -0.077 0.000 0.603 22 A CB -0.588 18.357 19.000 -0.090 0.000 0.902 22 A HN 0.326 nan 8.150 nan 0.000 0.455 23 M N 0.184 119.754 119.600 -0.049 0.000 2.252 23 M HA -0.277 4.204 4.480 0.002 0.000 0.255 23 M C 2.239 178.521 176.300 -0.030 0.000 1.085 23 M CA 1.685 56.963 55.300 -0.036 0.000 1.059 23 M CB -1.636 30.947 32.600 -0.028 0.000 1.375 23 M HN 0.561 nan 8.290 nan 0.000 0.409 24 A N 0.171 122.972 122.820 -0.031 0.000 1.826 24 A HA 0.102 4.423 4.320 0.002 0.000 0.214 24 A C 2.451 180.010 177.584 -0.041 0.000 1.212 24 A CA 1.986 54.006 52.037 -0.029 0.000 0.605 24 A CB -1.176 17.810 19.000 -0.024 0.000 0.861 24 A HN 0.457 nan 8.150 nan 0.000 0.447 25 A N -0.164 122.622 122.820 -0.056 0.000 1.948 25 A HA 0.083 4.404 4.320 0.002 0.000 0.220 25 A C 2.460 180.020 177.584 -0.040 0.000 1.177 25 A CA 2.472 54.474 52.037 -0.059 0.000 0.636 25 A CB -1.168 17.786 19.000 -0.076 0.000 0.815 25 A HN 1.110 nan 8.150 nan 0.000 0.449 26 A N 1.053 123.851 122.820 -0.037 0.000 1.829 26 A HA -0.224 4.097 4.320 0.002 0.000 0.216 26 A C 2.184 179.756 177.584 -0.021 0.000 1.207 26 A CA 2.151 54.174 52.037 -0.024 0.000 0.622 26 A CB -0.787 18.197 19.000 -0.026 0.000 0.846 26 A HN 0.703 nan 8.150 nan 0.000 0.447 27 R N -0.801 119.684 120.500 -0.025 0.000 2.316 27 R HA -0.099 4.243 4.340 0.002 0.000 0.232 27 R C 1.507 177.785 176.300 -0.035 0.000 1.137 27 R CA 1.560 57.644 56.100 -0.026 0.000 1.012 27 R CB -0.558 29.727 30.300 -0.025 0.000 0.859 27 R HN 0.394 nan 8.270 nan 0.000 0.474 28 M N 0.208 119.786 119.600 -0.037 0.000 2.358 28 M HA 0.007 4.488 4.480 0.002 0.000 0.264 28 M C 1.604 177.881 176.300 -0.038 0.000 1.064 28 M CA 1.747 57.021 55.300 -0.044 0.000 1.093 28 M CB -0.342 32.232 32.600 -0.043 0.000 1.401 28 M HN 0.674 nan 8.290 nan 0.000 0.440 29 G N -1.413 107.371 108.800 -0.026 0.000 2.561 29 G HA2 -0.161 3.800 3.960 0.002 0.000 0.203 29 G HA3 -0.161 3.800 3.960 0.002 0.000 0.203 29 G C 0.251 175.148 174.900 -0.005 0.000 1.101 29 G CA -0.485 44.604 45.100 -0.018 0.000 0.711 29 G HN 0.371 nan 8.290 nan 0.000 0.511 30 Q N 1.172 120.969 119.800 -0.004 0.000 2.479 30 Q HA 0.341 4.682 4.340 0.002 0.000 0.267 30 Q C 0.166 176.186 176.000 0.034 0.000 1.071 30 Q CA 0.435 56.246 55.803 0.013 0.000 0.935 30 Q CB 0.297 29.038 28.738 0.006 0.000 1.295 30 Q HN 0.532 nan 8.270 nan 0.000 0.476 31 Q N 1.518 121.360 119.800 0.070 0.000 2.360 31 Q HA 0.311 4.652 4.340 0.002 0.000 0.254 31 Q C -0.743 175.393 176.000 0.227 0.000 0.975 31 Q CA -0.077 55.805 55.803 0.132 0.000 0.912 31 Q CB 0.945 29.753 28.738 0.117 0.000 1.212 31 Q HN 0.450 nan 8.270 nan 0.000 0.452 32 T N 2.116 116.753 114.554 0.138 0.000 2.823 32 T HA 0.538 4.889 4.350 0.002 0.000 0.279 32 T C -0.283 174.253 174.700 -0.273 0.000 0.998 32 T CA -0.695 61.387 62.100 -0.030 0.000 0.994 32 T CB 1.328 70.148 68.868 -0.080 0.000 0.960 32 T HN 0.394 nan 8.240 nan 0.000 0.448 33 L N 3.798 124.561 121.223 -0.766 0.000 2.280 33 L HA 0.661 5.002 4.340 0.002 0.000 0.287 33 L C -1.049 175.455 176.870 -0.608 0.000 1.023 33 L CA -0.943 53.263 54.840 -1.056 0.000 0.819 33 L CB 0.877 41.691 42.059 -2.074 0.000 1.212 33 L HN 0.549 nan 8.230 nan 0.000 0.420 34 L N 6.036 127.013 121.223 -0.411 0.000 2.265 34 L HA 0.478 4.819 4.340 0.002 0.000 0.288 34 L C -1.002 175.674 176.870 -0.324 0.000 1.058 34 L CA 0.220 54.874 54.840 -0.310 0.000 0.809 34 L CB 0.848 42.779 42.059 -0.215 0.000 1.179 34 L HN 0.668 nan 8.230 nan 0.000 0.429 35 L N 4.851 125.877 121.223 -0.329 0.000 2.317 35 L HA 0.721 5.062 4.340 0.002 0.000 0.281 35 L C -0.269 176.412 176.870 -0.314 0.000 1.024 35 L CA -0.317 54.347 54.840 -0.294 0.000 0.810 35 L CB 1.918 43.803 42.059 -0.290 0.000 1.240 35 L HN 0.820 nan 8.230 nan 0.000 0.427 36 T N -2.032 112.304 114.554 -0.362 0.000 3.041 36 T HA 0.269 4.620 4.350 0.002 0.000 0.321 36 T C 0.725 175.121 174.700 -0.507 0.000 1.184 36 T CA -0.559 61.163 62.100 -0.631 0.000 1.050 36 T CB 1.051 69.517 68.868 -0.670 0.000 1.159 36 T HN 0.792 nan 8.240 nan 0.000 0.469 37 H N 2.564 121.579 119.070 -0.092 0.000 2.266 37 H HA -0.178 4.379 4.556 0.002 0.000 0.274 37 H C 0.764 176.034 175.328 -0.097 0.000 1.140 37 H CA 2.274 58.272 56.048 -0.084 0.000 1.186 37 H CB -0.438 29.284 29.762 -0.067 0.000 1.412 37 H HN 0.749 nan 8.280 nan 0.000 0.513 38 N N -0.436 118.304 118.700 0.066 0.000 2.503 38 N HA 0.076 4.817 4.740 0.002 0.000 0.287 38 N C 0.151 175.662 175.510 0.003 0.000 1.096 38 N CA -0.161 52.914 53.050 0.041 0.000 0.936 38 N CB 1.287 39.822 38.487 0.081 0.000 1.570 38 N HN 0.473 nan 8.380 nan 0.000 0.504 39 I N -1.132 119.405 120.570 -0.054 0.000 3.860 39 I HA 0.291 4.462 4.170 0.002 0.000 0.319 39 I C 0.113 176.204 176.117 -0.045 0.000 1.279 39 I CA 0.209 61.470 61.300 -0.065 0.000 1.220 39 I CB 0.270 38.217 38.000 -0.088 0.000 1.027 39 I HN 0.183 nan 8.210 nan 0.000 0.428 40 D N 2.528 122.910 120.400 -0.031 0.000 2.312 40 D HA -0.053 4.588 4.640 0.002 0.000 0.211 40 D C 1.140 177.427 176.300 -0.021 0.000 0.964 40 D CA 1.513 55.497 54.000 -0.026 0.000 0.877 40 D CB 0.299 41.087 40.800 -0.021 0.000 0.924 40 D HN 0.511 nan 8.370 nan 0.000 0.515 41 T N -0.462 114.085 114.554 -0.011 0.000 3.377 41 T HA 0.356 4.707 4.350 0.002 0.000 0.270 41 T C -0.132 174.559 174.700 -0.016 0.000 1.586 41 T CA -0.764 61.329 62.100 -0.011 0.000 1.487 41 T CB -0.015 68.849 68.868 -0.007 0.000 0.994 41 T HN -0.279 nan 8.240 nan 0.000 0.689 42 L N 1.547 122.742 121.223 -0.046 0.000 2.309 42 L HA 0.737 5.079 4.340 0.002 0.000 0.282 42 L C 1.449 178.250 176.870 -0.116 0.000 1.036 42 L CA 0.451 55.243 54.840 -0.080 0.000 0.806 42 L CB 0.400 42.402 42.059 -0.095 0.000 1.220 42 L HN 0.788 nan 8.230 nan 0.000 0.429 43 G N 2.340 111.033 108.800 -0.179 0.000 2.168 43 G HA2 -0.312 3.649 3.960 0.002 0.000 0.257 43 G HA3 -0.312 3.649 3.960 0.002 0.000 0.257 43 G C 0.444 175.313 174.900 -0.052 0.000 0.997 43 G CA 0.456 45.449 45.100 -0.178 0.000 0.708 43 G HN 0.634 nan 8.290 nan 0.000 0.520 44 Q N -0.534 119.214 119.800 -0.087 0.000 2.337 44 Q HA 0.615 4.956 4.340 0.002 0.000 0.270 44 Q C 0.614 176.577 176.000 -0.060 0.000 1.002 44 Q CA 0.464 56.243 55.803 -0.041 0.000 0.888 44 Q CB 0.317 29.036 28.738 -0.031 0.000 1.222 44 Q HN 0.418 nan 8.270 nan 0.000 0.400 45 M N 2.952 122.520 119.600 -0.054 0.000 2.047 45 M HA 0.209 4.690 4.480 0.002 0.000 0.342 45 M C 0.448 176.757 176.300 0.014 0.000 1.058 45 M CA -0.093 55.133 55.300 -0.123 0.000 0.991 45 M CB 1.356 33.811 32.600 -0.242 0.000 1.474 45 M HN 0.691 nan 8.290 nan 0.000 0.419 46 S N 0.862 116.623 115.700 0.101 0.000 2.446 46 S HA 0.009 4.480 4.470 0.002 0.000 0.225 46 S C 0.801 175.491 174.600 0.150 0.000 1.016 46 S CA 0.307 58.587 58.200 0.133 0.000 0.943 46 S CB 0.180 63.465 63.200 0.142 0.000 0.786 46 S HN 0.808 nan 8.310 nan 0.000 0.508 47 C N 0.502 119.922 119.300 0.200 0.000 2.057 47 C HA 0.311 4.772 4.460 0.002 0.000 0.076 47 C C 1.053 175.965 174.990 -0.130 0.000 2.621 47 C CA -0.990 58.096 59.018 0.113 0.000 1.872 47 C CB -1.085 26.687 27.740 0.054 0.000 2.708 47 C HN 0.506 nan 8.230 nan 0.000 0.295 48 N N 2.693 121.206 118.700 -0.312 0.000 2.468 48 N HA 0.109 4.850 4.740 0.002 0.000 0.265 48 N C -2.395 172.893 175.510 -0.370 0.000 1.199 48 N CA -0.712 51.885 53.050 -0.755 0.000 0.928 48 N CB 0.668 38.898 38.487 -0.429 0.000 1.059 48 N HN 0.381 nan 8.380 nan 0.000 0.467 49 P HA 0.109 nan 4.420 nan 0.000 0.241 49 P C -1.494 175.684 177.300 -0.203 0.000 1.760 49 P CA 0.136 63.094 63.100 -0.236 0.000 1.081 49 P CB -0.064 31.516 31.700 -0.201 0.000 1.975 50 A N 3.198 125.935 122.820 -0.138 0.000 2.604 50 A HA 0.704 5.025 4.320 0.002 0.000 0.295 50 A C -1.319 176.188 177.584 -0.128 0.000 1.067 50 A CA -0.581 51.355 52.037 -0.169 0.000 0.683 50 A CB 1.458 20.346 19.000 -0.187 0.000 1.281 50 A HN 0.126 nan 8.150 nan 0.000 0.407 51 I N 1.464 121.927 120.570 -0.177 0.000 2.436 51 I HA 0.727 4.898 4.170 0.002 0.000 0.289 51 I C 0.708 176.775 176.117 -0.082 0.000 1.010 51 I CA 0.723 61.918 61.300 -0.176 0.000 1.098 51 I CB 0.730 38.539 38.000 -0.317 0.000 1.266 51 I HN 1.519 nan 8.210 nan 0.000 0.434 52 G N 3.951 112.726 108.800 -0.041 0.000 2.352 52 G HA2 0.446 4.407 3.960 0.002 0.000 0.324 52 G HA3 0.446 4.407 3.960 0.002 0.000 0.324 52 G C -0.300 174.598 174.900 -0.003 0.000 1.249 52 G CA 0.195 45.364 45.100 0.114 0.000 1.053 52 G HN 1.545 nan 8.290 nan 0.000 0.492 53 G N -1.587 107.210 108.800 -0.005 0.000 2.655 53 G HA2 0.365 4.326 3.960 0.002 0.000 0.680 53 G HA3 0.365 4.326 3.960 0.002 0.000 0.680 53 G C 0.077 174.906 174.900 -0.117 0.000 1.302 53 G CA -0.139 44.917 45.100 -0.073 0.000 0.872 53 G HN 2.007 nan 8.290 nan 0.000 0.540 54 I N 1.503 121.991 120.570 -0.138 0.000 3.114 54 I HA 0.149 4.320 4.170 0.002 0.000 0.320 54 I C 2.143 177.913 176.117 -0.579 0.000 1.230 54 I CA 2.227 63.390 61.300 -0.227 0.000 1.440 54 I CB -1.299 36.622 38.000 -0.130 0.000 1.334 54 I HN 2.476 nan 8.210 nan 0.000 0.532 55 G N 6.015 114.377 108.800 -0.729 0.000 2.855 55 G HA2 -0.386 3.575 3.960 0.002 0.000 0.231 55 G HA3 -0.386 3.575 3.960 0.002 0.000 0.231 55 G C 1.397 175.843 174.900 -0.757 0.000 1.242 55 G CA 0.524 44.814 45.100 -1.350 0.000 0.789 55 G HN 0.570 nan 8.290 nan 0.000 0.517 56 K N 0.678 120.766 120.400 -0.520 0.000 1.987 56 K HA -0.140 4.181 4.320 0.002 0.000 0.216 56 K C 2.755 179.341 176.600 -0.023 0.000 1.051 56 K CA 1.917 58.124 56.287 -0.134 0.000 0.942 56 K CB -1.273 31.178 32.500 -0.081 0.000 0.722 56 K HN 0.661 nan 8.250 nan 0.000 0.444 57 G N 1.818 110.635 108.800 0.030 0.000 2.545 57 G HA2 -0.310 3.651 3.960 0.002 0.000 0.222 57 G HA3 -0.310 3.651 3.960 0.002 0.000 0.222 57 G C 1.410 176.359 174.900 0.081 0.000 1.126 57 G CA 1.258 46.459 45.100 0.168 0.000 0.754 57 G HN 0.473 nan 8.290 nan 0.000 0.583 58 H N -1.046 117.907 119.070 -0.195 0.000 2.389 58 H HA 0.021 4.578 4.556 0.002 0.000 0.299 58 H C 2.535 177.805 175.328 -0.097 0.000 1.081 58 H CA 0.991 56.857 56.048 -0.303 0.000 1.345 58 H CB 0.094 29.309 29.762 -0.912 0.000 1.393 58 H HN 0.240 nan 8.280 nan 0.000 0.520 59 L N 0.250 121.547 121.223 0.123 0.000 2.131 59 L HA -0.098 4.243 4.340 0.002 0.000 0.206 59 L C 2.492 179.450 176.870 0.147 0.000 1.087 59 L CA 0.878 55.831 54.840 0.188 0.000 0.767 59 L CB -0.647 41.544 42.059 0.219 0.000 0.917 59 L HN -0.014 nan 8.230 nan 0.000 0.441 60 V N -0.153 119.824 119.914 0.105 0.000 2.214 60 V HA -0.349 3.772 4.120 0.002 0.000 0.245 60 V C 2.631 178.817 176.094 0.153 0.000 1.047 60 V CA 1.767 64.108 62.300 0.069 0.000 0.998 60 V CB -0.535 31.234 31.823 -0.091 0.000 0.633 60 V HN 0.410 nan 8.190 nan 0.000 0.446 61 K N -0.332 120.196 120.400 0.213 0.000 2.077 61 K HA -0.304 4.017 4.320 0.002 0.000 0.213 61 K C 2.069 178.875 176.600 0.343 0.000 1.051 61 K CA 2.261 58.714 56.287 0.276 0.000 0.929 61 K CB -0.461 32.131 32.500 0.152 0.000 0.715 61 K HN 0.600 nan 8.250 nan 0.000 0.451 62 E N 0.299 120.640 120.200 0.236 0.000 2.058 62 E HA -0.166 4.186 4.350 0.002 0.000 0.194 62 E C 2.135 178.844 176.600 0.181 0.000 0.997 62 E CA 1.240 57.765 56.400 0.208 0.000 0.801 62 E CB -0.065 29.756 29.700 0.202 0.000 0.746 62 E HN 0.017 nan 8.360 nan 0.000 0.450 63 V N 1.374 121.390 119.914 0.169 0.000 2.231 63 V HA -0.328 3.793 4.120 0.002 0.000 0.248 63 V C 2.093 178.266 176.094 0.132 0.000 1.054 63 V CA 2.360 64.743 62.300 0.139 0.000 1.015 63 V CB -0.548 31.347 31.823 0.120 0.000 0.638 63 V HN 0.351 nan 8.190 nan 0.000 0.444 64 D N -0.098 120.405 120.400 0.170 0.000 2.158 64 D HA -0.191 4.450 4.640 0.002 0.000 0.197 64 D C 1.982 178.386 176.300 0.173 0.000 0.995 64 D CA 1.529 55.647 54.000 0.196 0.000 0.846 64 D CB -0.183 40.791 40.800 0.289 0.000 0.941 64 D HN 0.431 nan 8.370 nan 0.000 0.456 65 A N -0.372 122.541 122.820 0.155 0.000 2.067 65 A HA 0.019 4.340 4.320 0.002 0.000 0.219 65 A C 2.003 179.535 177.584 -0.086 0.000 1.158 65 A CA 0.610 52.595 52.037 -0.086 0.000 0.661 65 A CB -0.346 18.527 19.000 -0.211 0.000 0.801 65 A HN 0.398 nan 8.150 nan 0.000 0.452 66 L N -1.529 119.696 121.223 0.003 0.000 2.667 66 L HA 0.244 4.585 4.340 0.002 0.000 0.232 66 L C 1.459 178.329 176.870 -0.000 0.000 1.138 66 L CA 0.555 55.389 54.840 -0.009 0.000 0.921 66 L CB 0.002 42.090 42.059 0.049 0.000 1.180 66 L HN 0.563 nan 8.230 nan 0.000 0.487 67 G N -0.005 108.808 108.800 0.022 0.000 2.141 67 G HA2 -0.216 3.745 3.960 0.002 0.000 0.231 67 G HA3 -0.216 3.745 3.960 0.002 0.000 0.231 67 G C 0.603 175.524 174.900 0.036 0.000 0.984 67 G CA -0.114 45.002 45.100 0.027 0.000 0.660 67 G HN 0.487 nan 8.290 nan 0.000 0.525 68 G N -1.096 107.734 108.800 0.051 0.000 2.570 68 G HA2 0.499 4.460 3.960 0.002 0.000 0.276 68 G HA3 0.499 4.460 3.960 0.002 0.000 0.276 68 G C 1.171 176.097 174.900 0.044 0.000 1.346 68 G CA 0.067 45.194 45.100 0.046 0.000 1.034 68 G HN 0.576 nan 8.290 nan 0.000 0.512 69 L N -0.669 120.573 121.223 0.032 0.000 2.221 69 L HA 0.155 4.496 4.340 0.002 0.000 0.202 69 L C 2.827 179.714 176.870 0.027 0.000 1.074 69 L CA 0.551 55.397 54.840 0.011 0.000 0.795 69 L CB -0.126 41.916 42.059 -0.028 0.000 0.960 69 L HN 0.741 nan 8.230 nan 0.000 0.458 70 M N -0.151 119.482 119.600 0.056 0.000 2.082 70 M HA -0.279 4.202 4.480 0.002 0.000 0.258 70 M C 2.222 178.555 176.300 0.056 0.000 1.069 70 M CA 2.356 57.712 55.300 0.094 0.000 1.102 70 M CB -0.161 32.494 32.600 0.092 0.000 1.336 70 M HN 0.306 nan 8.290 nan 0.000 0.404 71 A N 0.281 123.116 122.820 0.025 0.000 1.883 71 A HA -0.234 4.087 4.320 0.002 0.000 0.217 71 A C 2.054 179.715 177.584 0.128 0.000 1.186 71 A CA 2.253 54.313 52.037 0.039 0.000 0.624 71 A CB -0.705 18.372 19.000 0.128 0.000 0.822 71 A HN 0.602 nan 8.150 nan 0.000 0.444 72 K N -0.434 120.029 120.400 0.105 0.000 2.097 72 K HA -0.052 4.269 4.320 0.002 0.000 0.206 72 K C 2.296 178.953 176.600 0.094 0.000 1.049 72 K CA 1.129 57.472 56.287 0.092 0.000 0.933 72 K CB -0.321 32.210 32.500 0.052 0.000 0.717 72 K HN 0.466 nan 8.250 nan 0.000 0.442 73 A N 1.248 124.106 122.820 0.064 0.000 1.858 73 A HA -0.173 4.148 4.320 0.002 0.000 0.216 73 A C 2.126 179.837 177.584 0.210 0.000 1.190 73 A CA 1.408 53.450 52.037 0.009 0.000 0.617 73 A CB -0.525 18.363 19.000 -0.187 0.000 0.827 73 A HN 0.288 nan 8.150 nan 0.000 0.443 74 I N 0.241 120.999 120.570 0.313 0.000 2.361 74 I HA -0.175 3.996 4.170 0.002 0.000 0.251 74 I C 1.211 177.619 176.117 0.485 0.000 1.133 74 I CA 1.614 63.110 61.300 0.327 0.000 1.413 74 I CB -0.379 37.670 38.000 0.081 0.000 1.073 74 I HN 0.240 nan 8.210 nan 0.000 0.424 75 D N 0.018 120.695 120.400 0.462 0.000 2.310 75 D HA -0.136 4.505 4.640 0.002 0.000 0.212 75 D C 1.861 178.415 176.300 0.423 0.000 0.965 75 D CA 0.767 55.083 54.000 0.527 0.000 0.879 75 D CB 0.067 41.023 40.800 0.259 0.000 0.921 75 D HN 0.469 nan 8.370 nan 0.000 0.510 76 Q N -0.955 119.018 119.800 0.290 0.000 2.396 76 Q HA 0.214 4.555 4.340 0.002 0.000 0.209 76 Q C 1.388 177.522 176.000 0.224 0.000 0.906 76 Q CA 0.249 56.169 55.803 0.195 0.000 0.927 76 Q CB 0.956 29.751 28.738 0.096 0.000 1.069 76 Q HN 0.191 nan 8.270 nan 0.000 0.523 77 A N -0.191 122.798 122.820 0.282 0.000 2.259 77 A HA 0.345 4.666 4.320 0.002 0.000 0.213 77 A C 1.125 178.822 177.584 0.188 0.000 1.209 77 A CA 0.412 52.590 52.037 0.234 0.000 0.910 77 A CB 0.252 19.442 19.000 0.316 0.000 0.946 77 A HN 0.183 nan 8.150 nan 0.000 0.497 78 G N 0.938 109.889 108.800 0.251 0.000 2.360 78 G HA2 0.424 4.385 3.960 0.002 0.000 0.279 78 G HA3 0.424 4.385 3.960 0.002 0.000 0.279 78 G C 0.757 175.723 174.900 0.111 0.000 1.189 78 G CA -0.010 45.092 45.100 0.003 0.000 0.941 78 G HN 0.622 nan 8.290 nan 0.000 0.445 79 I N -0.694 119.875 120.570 -0.001 0.000 3.419 79 I HA 0.265 4.436 4.170 0.002 0.000 0.286 79 I C 0.558 176.691 176.117 0.028 0.000 1.268 79 I CA 0.241 61.570 61.300 0.048 0.000 1.414 79 I CB 0.330 38.353 38.000 0.039 0.000 1.074 79 I HN 0.328 nan 8.210 nan 0.000 0.457 80 Q N 1.354 121.103 119.800 -0.084 0.000 2.263 80 Q HA 0.432 4.773 4.340 0.002 0.000 0.266 80 Q C -2.122 173.735 176.000 -0.238 0.000 1.002 80 Q CA -0.555 55.208 55.803 -0.068 0.000 0.790 80 Q CB 2.348 31.049 28.738 -0.060 0.000 1.272 80 Q HN 0.237 nan 8.270 nan 0.000 0.435 81 F N 2.487 122.371 119.950 -0.110 0.000 2.449 81 F HA 0.571 5.099 4.527 0.002 0.000 0.342 81 F C 0.035 175.763 175.800 -0.120 0.000 1.127 81 F CA -0.472 57.446 58.000 -0.138 0.000 0.975 81 F CB 1.755 40.617 39.000 -0.230 0.000 1.146 81 F HN 0.308 nan 8.300 nan 0.000 0.444 82 R N 3.523 124.029 120.500 0.009 0.000 2.621 82 R HA 0.621 4.962 4.340 0.002 0.000 0.284 82 R C -1.351 174.900 176.300 -0.080 0.000 0.998 82 R CA -0.869 55.209 56.100 -0.036 0.000 0.895 82 R CB 2.587 32.851 30.300 -0.060 0.000 1.195 82 R HN 0.585 nan 8.270 nan 0.000 0.450 83 I N 4.365 124.886 120.570 -0.081 0.000 2.312 83 I HA 0.216 4.387 4.170 0.002 0.000 0.290 83 I C -0.146 175.923 176.117 -0.080 0.000 1.008 83 I CA -0.491 60.745 61.300 -0.107 0.000 1.226 83 I CB 0.998 38.930 38.000 -0.113 0.000 1.371 83 I HN 0.348 nan 8.210 nan 0.000 0.468 84 L N 7.421 128.595 121.223 -0.083 0.000 2.360 84 L HA 0.220 4.561 4.340 0.002 0.000 0.276 84 L C 0.533 177.374 176.870 -0.048 0.000 1.121 84 L CA 0.067 54.870 54.840 -0.061 0.000 0.845 84 L CB -0.106 41.915 42.059 -0.063 0.000 1.143 84 L HN 0.769 nan 8.230 nan 0.000 0.452 85 N N 1.301 119.982 118.700 -0.032 0.000 2.815 85 N HA -0.215 4.527 4.740 0.002 0.000 0.248 85 N C 1.041 176.534 175.510 -0.029 0.000 1.110 85 N CA 0.296 53.333 53.050 -0.022 0.000 0.699 85 N CB -0.671 37.806 38.487 -0.016 0.000 1.040 85 N HN 0.850 nan 8.380 nan 0.000 0.555 86 A N 0.299 123.099 122.820 -0.033 0.000 1.892 86 A HA -0.268 4.053 4.320 0.002 0.000 0.218 86 A C 2.294 179.867 177.584 -0.018 0.000 1.188 86 A CA 2.359 54.375 52.037 -0.034 0.000 0.631 86 A CB -0.770 18.211 19.000 -0.031 0.000 0.822 86 A HN 0.559 nan 8.150 nan 0.000 0.447 87 S N -0.498 115.198 115.700 -0.008 0.000 2.427 87 S HA -0.287 4.184 4.470 0.002 0.000 0.261 87 S C 1.402 176.007 174.600 0.010 0.000 1.091 87 S CA 2.182 60.384 58.200 0.004 0.000 1.251 87 S CB -0.411 62.793 63.200 0.006 0.000 1.160 87 S HN 0.679 nan 8.310 nan 0.000 0.436 88 K N -0.099 120.305 120.400 0.006 0.000 2.952 88 K HA 0.501 4.822 4.320 0.002 0.000 0.323 88 K C 0.688 177.292 176.600 0.007 0.000 1.003 88 K CA 0.128 56.425 56.287 0.016 0.000 1.156 88 K CB -0.309 32.201 32.500 0.017 0.000 1.339 88 K HN 0.415 nan 8.250 nan 0.000 0.516 89 G N 0.145 108.946 108.800 0.002 0.000 2.437 89 G HA2 0.222 4.183 3.960 0.002 0.000 0.319 89 G HA3 0.222 4.183 3.960 0.002 0.000 0.319 89 G C -2.063 172.738 174.900 -0.167 0.000 1.158 89 G CA -1.448 43.613 45.100 -0.065 0.000 0.899 89 G HN 0.218 nan 8.290 nan 0.000 0.502 90 P HA -0.314 nan 4.420 nan 0.000 0.225 90 P C 1.945 179.134 177.300 -0.184 0.000 1.154 90 P CA 2.549 65.472 63.100 -0.295 0.000 0.885 90 P CB 0.255 31.660 31.700 -0.493 0.000 0.785 91 A N -1.843 120.888 122.820 -0.149 0.000 2.119 91 A HA -0.015 4.307 4.320 0.002 0.000 0.217 91 A C 2.016 179.620 177.584 0.033 0.000 1.153 91 A CA 1.200 53.221 52.037 -0.027 0.000 0.692 91 A CB -0.711 18.297 19.000 0.014 0.000 0.799 91 A HN 0.158 nan 8.150 nan 0.000 0.458 92 V N -0.723 119.188 119.914 -0.004 0.000 3.528 92 V HA 0.142 4.263 4.120 0.002 0.000 0.294 92 V C 0.769 176.864 176.094 0.001 0.000 1.404 92 V CA -0.021 62.291 62.300 0.020 0.000 1.065 92 V CB -0.278 31.553 31.823 0.014 0.000 0.904 92 V HN 0.404 nan 8.190 nan 0.000 0.435 93 R N 1.068 121.545 120.500 -0.039 0.000 2.490 93 R HA 0.658 4.999 4.340 0.002 0.000 0.278 93 R C -0.187 176.063 176.300 -0.083 0.000 1.069 93 R CA 0.574 56.630 56.100 -0.073 0.000 1.080 93 R CB 1.152 31.385 30.300 -0.112 0.000 1.030 93 R HN 0.344 nan 8.270 nan 0.000 0.491 94 A N 1.631 124.394 122.820 -0.095 0.000 2.459 94 A HA 0.422 4.743 4.320 0.002 0.000 0.296 94 A C -0.866 176.629 177.584 -0.149 0.000 1.039 94 A CA -0.777 51.196 52.037 -0.107 0.000 0.698 94 A CB 1.671 20.644 19.000 -0.044 0.000 1.261 94 A HN 0.608 nan 8.150 nan 0.000 0.405 95 T N 2.108 116.528 114.554 -0.223 0.000 2.845 95 T HA 0.610 4.961 4.350 0.002 0.000 0.288 95 T C 0.099 174.720 174.700 -0.132 0.000 0.980 95 T CA -0.247 61.647 62.100 -0.343 0.000 1.071 95 T CB 0.707 69.045 68.868 -0.883 0.000 0.941 95 T HN 0.689 nan 8.240 nan 0.000 0.487 96 R N 0.842 121.288 120.500 -0.090 0.000 2.651 96 R HA 0.703 5.044 4.340 0.002 0.000 0.278 96 R C -1.972 174.283 176.300 -0.074 0.000 1.010 96 R CA -0.721 55.385 56.100 0.009 0.000 0.896 96 R CB 1.601 31.857 30.300 -0.074 0.000 1.211 96 R HN 0.758 nan 8.270 nan 0.000 0.456 97 A N 3.120 125.871 122.820 -0.115 0.000 2.475 97 A HA 0.452 4.773 4.320 0.002 0.000 0.301 97 A C -1.284 176.081 177.584 -0.365 0.000 1.059 97 A CA -0.803 50.958 52.037 -0.459 0.000 0.710 97 A CB 2.102 20.521 19.000 -0.969 0.000 1.288 97 A HN 0.594 nan 8.150 nan 0.000 0.408 98 Q N 0.402 119.984 119.800 -0.364 0.000 2.293 98 Q HA 0.589 4.930 4.340 0.002 0.000 0.251 98 Q C -0.141 175.723 176.000 -0.228 0.000 0.930 98 Q CA 0.026 55.687 55.803 -0.236 0.000 0.893 98 Q CB 1.734 30.383 28.738 -0.148 0.000 1.215 98 Q HN 0.890 nan 8.270 nan 0.000 0.425 99 A N 2.169 124.886 122.820 -0.171 0.000 2.318 99 A HA 0.246 4.567 4.320 0.002 0.000 0.324 99 A C -0.509 177.042 177.584 -0.055 0.000 1.170 99 A CA -0.698 51.260 52.037 -0.131 0.000 0.810 99 A CB 0.738 19.604 19.000 -0.224 0.000 1.198 99 A HN 0.610 nan 8.150 nan 0.000 0.484 100 D N 2.504 122.908 120.400 0.007 0.000 2.359 100 D HA 0.084 4.725 4.640 0.002 0.000 0.250 100 D C 1.320 177.650 176.300 0.050 0.000 1.264 100 D CA 0.067 54.087 54.000 0.033 0.000 0.911 100 D CB 0.319 41.152 40.800 0.055 0.000 1.056 100 D HN 0.578 nan 8.370 nan 0.000 0.499 101 R N 2.106 122.621 120.500 0.025 0.000 2.162 101 R HA -0.243 4.098 4.340 0.002 0.000 0.245 101 R C 2.143 178.487 176.300 0.074 0.000 1.129 101 R CA 2.485 58.606 56.100 0.034 0.000 0.940 101 R CB -0.536 29.776 30.300 0.020 0.000 0.875 101 R HN 0.552 nan 8.270 nan 0.000 0.437 102 V N -0.598 119.348 119.914 0.055 0.000 2.295 102 V HA -0.177 3.944 4.120 0.002 0.000 0.246 102 V C 2.080 178.206 176.094 0.053 0.000 1.049 102 V CA 1.738 64.065 62.300 0.046 0.000 1.024 102 V CB -0.747 31.095 31.823 0.031 0.000 0.648 102 V HN 0.274 nan 8.190 nan 0.000 0.447 103 L N -1.299 119.964 121.223 0.066 0.000 2.127 103 L HA -0.167 4.174 4.340 0.002 0.000 0.211 103 L C 2.685 179.603 176.870 0.080 0.000 1.089 103 L CA 2.587 57.467 54.840 0.066 0.000 0.757 103 L CB -0.945 41.163 42.059 0.082 0.000 0.899 103 L HN 0.493 nan 8.230 nan 0.000 0.434 104 Y N 0.730 121.023 120.300 -0.012 0.000 2.200 104 Y HA -0.188 4.363 4.550 0.002 0.000 0.290 104 Y C 2.928 178.801 175.900 -0.046 0.000 1.137 104 Y CA 1.387 59.471 58.100 -0.027 0.000 1.163 104 Y CB -0.168 38.264 38.460 -0.046 0.000 0.988 104 Y HN -0.048 nan 8.280 nan 0.000 0.518 105 R N -0.102 120.421 120.500 0.038 0.000 2.080 105 R HA -0.275 4.066 4.340 0.002 0.000 0.236 105 R C 2.325 178.567 176.300 -0.096 0.000 1.137 105 R CA 2.088 58.163 56.100 -0.042 0.000 0.943 105 R CB -0.395 29.906 30.300 0.001 0.000 0.846 105 R HN 0.362 nan 8.270 nan 0.000 0.431 106 Q N -0.078 119.688 119.800 -0.057 0.000 2.062 106 Q HA -0.196 4.145 4.340 0.002 0.000 0.209 106 Q C 1.869 177.811 176.000 -0.096 0.000 0.996 106 Q CA 2.632 58.401 55.803 -0.057 0.000 0.859 106 Q CB -0.360 28.363 28.738 -0.025 0.000 0.920 106 Q HN 0.440 nan 8.270 nan 0.000 0.415 107 A N -1.072 121.669 122.820 -0.132 0.000 1.933 107 A HA -0.111 4.210 4.320 0.002 0.000 0.218 107 A C 2.246 179.699 177.584 -0.217 0.000 1.175 107 A CA 1.569 53.511 52.037 -0.158 0.000 0.628 107 A CB -0.566 18.333 19.000 -0.167 0.000 0.814 107 A HN 0.287 nan 8.150 nan 0.000 0.444 108 V N -0.331 119.393 119.914 -0.316 0.000 2.346 108 V HA -0.169 3.952 4.120 0.002 0.000 0.244 108 V C 2.590 178.573 176.094 -0.185 0.000 1.037 108 V CA 1.982 64.095 62.300 -0.311 0.000 1.029 108 V CB -0.711 30.855 31.823 -0.428 0.000 0.663 108 V HN 0.675 nan 8.190 nan 0.000 0.454 109 R N -0.048 120.361 120.500 -0.152 0.000 2.083 109 R HA -0.193 4.148 4.340 0.002 0.000 0.237 109 R C 2.341 178.590 176.300 -0.085 0.000 1.137 109 R CA 2.378 58.416 56.100 -0.104 0.000 0.951 109 R CB -0.583 29.667 30.300 -0.082 0.000 0.851 109 R HN 0.534 nan 8.270 nan 0.000 0.434 110 T N 0.710 115.216 114.554 -0.080 0.000 2.595 110 T HA -0.175 4.176 4.350 0.002 0.000 0.264 110 T C 1.874 176.539 174.700 -0.057 0.000 1.058 110 T CA 1.663 63.728 62.100 -0.059 0.000 1.166 110 T CB -0.607 68.230 68.868 -0.052 0.000 0.863 110 T HN 0.503 nan 8.240 nan 0.000 0.415 111 A N 1.149 123.928 122.820 -0.068 0.000 1.927 111 A HA -0.124 4.197 4.320 0.002 0.000 0.220 111 A C 2.360 179.912 177.584 -0.053 0.000 1.185 111 A CA 1.608 53.611 52.037 -0.056 0.000 0.639 111 A CB -1.069 17.892 19.000 -0.064 0.000 0.820 111 A HN 0.489 nan 8.150 nan 0.000 0.451 112 L N -1.099 120.085 121.223 -0.066 0.000 1.976 112 L HA -0.211 4.130 4.340 0.002 0.000 0.209 112 L C 2.582 179.424 176.870 -0.048 0.000 1.071 112 L CA 1.801 56.603 54.840 -0.062 0.000 0.746 112 L CB -0.733 41.279 42.059 -0.079 0.000 0.890 112 L HN 0.448 nan 8.230 nan 0.000 0.432 113 E N 0.180 120.352 120.200 -0.046 0.000 2.284 113 E HA -0.212 4.139 4.350 0.002 0.000 0.200 113 E C 0.563 177.152 176.600 -0.019 0.000 1.008 113 E CA 0.963 57.344 56.400 -0.030 0.000 0.829 113 E CB -0.087 29.596 29.700 -0.029 0.000 0.744 113 E HN 0.534 nan 8.360 nan 0.000 0.491 114 N N 0.786 119.473 118.700 -0.021 0.000 2.351 114 N HA 0.005 4.746 4.740 0.002 0.000 0.254 114 N C -0.552 174.950 175.510 -0.013 0.000 1.241 114 N CA -0.011 53.031 53.050 -0.013 0.000 0.883 114 N CB 0.912 39.391 38.487 -0.014 0.000 1.202 114 N HN 0.009 nan 8.380 nan 0.000 0.512 115 Q N 2.221 122.012 119.800 -0.015 0.000 2.360 115 Q HA 0.353 4.694 4.340 0.002 0.000 0.254 115 Q C -2.675 173.321 176.000 -0.005 0.000 0.975 115 Q CA -1.756 54.038 55.803 -0.015 0.000 0.912 115 Q CB 0.974 29.696 28.738 -0.026 0.000 1.212 115 Q HN -0.042 nan 8.270 nan 0.000 0.452 116 P HA -0.034 nan 4.420 nan 0.000 0.263 116 P C -0.585 176.720 177.300 0.009 0.000 1.175 116 P CA 0.619 63.722 63.100 0.005 0.000 0.761 116 P CB 0.452 32.154 31.700 0.002 0.000 0.794 117 N N -1.518 117.195 118.700 0.023 0.000 2.967 117 N HA -0.192 4.549 4.740 0.002 0.000 0.218 117 N C -0.146 175.393 175.510 0.049 0.000 0.870 117 N CA 0.832 53.904 53.050 0.037 0.000 1.030 117 N CB -1.475 37.026 38.487 0.023 0.000 1.027 117 N HN 0.335 nan 8.380 nan 0.000 0.603 118 L N 1.290 122.527 121.223 0.024 0.000 2.295 118 L HA 0.670 5.011 4.340 0.002 0.000 0.285 118 L C 0.042 176.922 176.870 0.017 0.000 1.035 118 L CA -0.122 54.719 54.840 0.002 0.000 0.806 118 L CB 1.254 43.291 42.059 -0.037 0.000 1.214 118 L HN 0.141 nan 8.230 nan 0.000 0.426 119 M N 6.916 126.524 119.600 0.014 0.000 2.456 119 M HA 0.484 4.965 4.480 0.002 0.000 0.324 119 M C -1.498 174.754 176.300 -0.080 0.000 1.124 119 M CA -0.685 54.634 55.300 0.032 0.000 0.959 119 M CB 1.846 34.559 32.600 0.188 0.000 1.692 119 M HN 0.819 nan 8.290 nan 0.000 0.444 120 I N 3.731 124.282 120.570 -0.032 0.000 2.498 120 I HA 0.567 4.738 4.170 0.002 0.000 0.290 120 I C -2.463 173.682 176.117 0.047 0.000 1.032 120 I CA -0.639 60.625 61.300 -0.061 0.000 1.073 120 I CB 2.044 39.999 38.000 -0.074 0.000 1.251 120 I HN 0.792 nan 8.210 nan 0.000 0.426 121 F N 6.555 126.376 119.950 -0.214 0.000 2.557 121 F HA 0.359 4.887 4.527 0.002 0.000 0.316 121 F C -0.470 175.229 175.800 -0.167 0.000 1.141 121 F CA -0.565 57.333 58.000 -0.170 0.000 0.922 121 F CB 1.883 40.738 39.000 -0.242 0.000 1.194 121 F HN 0.570 nan 8.300 nan 0.000 0.443 122 Q N 5.714 125.144 119.800 -0.617 0.000 2.835 122 Q HA 0.227 4.568 4.340 0.002 0.000 0.235 122 Q C -1.303 174.383 176.000 -0.523 0.000 1.313 122 Q CA -0.256 55.272 55.803 -0.458 0.000 1.053 122 Q CB 0.609 29.171 28.738 -0.293 0.000 1.443 122 Q HN 0.742 nan 8.270 nan 0.000 0.576 123 Q N 0.905 120.452 119.800 -0.422 0.000 2.345 123 Q HA 0.615 4.956 4.340 0.002 0.000 0.275 123 Q C -1.223 174.699 176.000 -0.130 0.000 1.063 123 Q CA -0.311 55.343 55.803 -0.249 0.000 0.819 123 Q CB 1.947 30.582 28.738 -0.171 0.000 1.356 123 Q HN 0.598 nan 8.270 nan 0.000 0.418 124 A N 1.603 124.386 122.820 -0.062 0.000 2.325 124 A HA 0.473 4.795 4.320 0.002 0.000 0.283 124 A C -0.167 177.421 177.584 0.006 0.000 1.211 124 A CA 0.434 52.464 52.037 -0.011 0.000 0.850 124 A CB -0.180 18.830 19.000 0.016 0.000 1.122 124 A HN 1.178 nan 8.150 nan 0.000 0.515 125 V N -3.946 115.985 119.914 0.028 0.000 3.078 125 V HA 0.687 4.808 4.120 0.002 0.000 0.311 125 V C 0.340 176.466 176.094 0.054 0.000 1.138 125 V CA 0.081 62.406 62.300 0.041 0.000 1.007 125 V CB 1.753 33.591 31.823 0.026 0.000 1.045 125 V HN 1.057 nan 8.190 nan 0.000 0.432 126 E N 0.667 120.902 120.200 0.058 0.000 2.288 126 E HA 0.210 4.561 4.350 0.002 0.000 0.200 126 E C -0.183 176.453 176.600 0.061 0.000 0.880 126 E CA 0.439 56.876 56.400 0.060 0.000 0.971 126 E CB 0.794 30.529 29.700 0.058 0.000 0.954 126 E HN 0.934 nan 8.360 nan 0.000 0.489 127 D N -0.996 119.437 120.400 0.055 0.000 2.851 127 D HA 0.283 4.925 4.640 0.002 0.000 0.339 127 D C -1.089 175.235 176.300 0.039 0.000 1.347 127 D CA -0.394 53.635 54.000 0.049 0.000 0.888 127 D CB 0.931 41.760 40.800 0.048 0.000 1.431 127 D HN 0.125 nan 8.370 nan 0.000 0.509 128 L N -1.817 119.424 121.223 0.031 0.000 2.260 128 L HA 0.766 5.107 4.340 0.002 0.000 0.265 128 L C -0.573 176.319 176.870 0.035 0.000 1.015 128 L CA -0.895 53.960 54.840 0.025 0.000 0.826 128 L CB 1.667 43.729 42.059 0.005 0.000 1.373 128 L HN 0.203 nan 8.230 nan 0.000 0.450 129 I N 1.892 122.486 120.570 0.040 0.000 2.468 129 I HA 0.432 4.604 4.170 0.002 0.000 0.285 129 I C -0.903 175.248 176.117 0.058 0.000 1.039 129 I CA -0.433 60.900 61.300 0.055 0.000 1.074 129 I CB 1.877 39.919 38.000 0.070 0.000 1.228 129 I HN 0.408 nan 8.210 nan 0.000 0.436 130 V N 6.477 126.424 119.914 0.054 0.000 2.495 130 V HA 0.412 4.533 4.120 0.002 0.000 0.298 130 V C 0.371 176.498 176.094 0.054 0.000 1.031 130 V CA -0.420 61.911 62.300 0.052 0.000 0.871 130 V CB 2.155 34.004 31.823 0.042 0.000 0.988 130 V HN 0.571 nan 8.190 nan 0.000 0.432 131 E N 5.140 125.374 120.200 0.055 0.000 2.323 131 E HA 0.075 4.426 4.350 0.002 0.000 0.313 131 E C 0.346 176.970 176.600 0.040 0.000 1.236 131 E CA 0.145 56.574 56.400 0.049 0.000 1.333 131 E CB -1.065 28.664 29.700 0.050 0.000 1.138 131 E HN 0.906 nan 8.360 nan 0.000 0.492 132 N N 2.121 120.844 118.700 0.038 0.000 2.664 132 N HA -0.280 4.461 4.740 0.002 0.000 0.296 132 N C -0.665 174.865 175.510 0.033 0.000 1.153 132 N CA 0.915 53.985 53.050 0.034 0.000 0.765 132 N CB -0.680 37.824 38.487 0.029 0.000 0.962 132 N HN 0.274 nan 8.380 nan 0.000 0.564 133 D N -2.608 117.815 120.400 0.038 0.000 2.505 133 D HA -0.197 4.444 4.640 0.002 0.000 0.175 133 D C -0.235 176.087 176.300 0.036 0.000 0.932 133 D CA 1.313 55.336 54.000 0.040 0.000 1.006 133 D CB -0.707 40.112 40.800 0.031 0.000 1.060 133 D HN 0.835 nan 8.370 nan 0.000 0.471 134 R N 1.270 121.792 120.500 0.037 0.000 2.467 134 R HA 0.485 4.827 4.340 0.002 0.000 0.299 134 R C -0.746 175.583 176.300 0.048 0.000 1.120 134 R CA -0.471 55.652 56.100 0.039 0.000 0.940 134 R CB 1.534 31.857 30.300 0.037 0.000 1.161 134 R HN -0.027 nan 8.270 nan 0.000 0.506 135 V N 4.869 124.812 119.914 0.048 0.000 2.763 135 V HA 0.033 4.154 4.120 0.002 0.000 0.306 135 V C 0.688 176.822 176.094 0.067 0.000 1.059 135 V CA 0.637 62.968 62.300 0.052 0.000 1.138 135 V CB 1.492 33.338 31.823 0.038 0.000 0.940 135 V HN 0.623 nan 8.190 nan 0.000 0.489 136 V N 3.217 123.176 119.914 0.075 0.000 3.070 136 V HA 0.873 4.994 4.120 0.002 0.000 0.355 136 V C 0.259 176.414 176.094 0.101 0.000 1.400 136 V CA 0.430 62.787 62.300 0.096 0.000 1.170 136 V CB -0.426 31.463 31.823 0.111 0.000 1.169 136 V HN 1.610 nan 8.190 nan 0.000 0.554 137 G N -0.469 108.375 108.800 0.073 0.000 2.334 137 G HA2 0.606 4.567 3.960 0.002 0.000 0.315 137 G HA3 0.606 4.567 3.960 0.002 0.000 0.315 137 G C -0.812 174.112 174.900 0.040 0.000 1.284 137 G CA 0.201 45.336 45.100 0.059 0.000 0.985 137 G HN 1.647 nan 8.290 nan 0.000 0.504 138 A N -1.813 121.032 122.820 0.041 0.000 2.594 138 A HA 0.973 5.294 4.320 0.002 0.000 0.291 138 A C -1.048 176.580 177.584 0.073 0.000 1.105 138 A CA 0.073 52.136 52.037 0.042 0.000 0.694 138 A CB 1.917 20.925 19.000 0.014 0.000 1.291 138 A HN 2.260 nan 8.150 nan 0.000 0.410 139 V N 1.878 121.833 119.914 0.068 0.000 2.378 139 V HA 0.635 4.756 4.120 0.002 0.000 0.288 139 V C 0.502 176.655 176.094 0.099 0.000 1.016 139 V CA 0.392 62.740 62.300 0.080 0.000 0.840 139 V CB 1.229 33.086 31.823 0.056 0.000 0.994 139 V HN 1.490 nan 8.190 nan 0.000 0.431 140 T N 2.809 117.453 114.554 0.151 0.000 2.802 140 T HA 0.098 4.449 4.350 0.002 0.000 0.305 140 T C 1.022 175.784 174.700 0.104 0.000 1.053 140 T CA 0.548 62.736 62.100 0.147 0.000 1.058 140 T CB 1.058 70.075 68.868 0.249 0.000 0.988 140 T HN 0.794 nan 8.240 nan 0.000 0.539 141 Q N 0.880 120.729 119.800 0.081 0.000 2.061 141 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 141 Q C 2.080 178.118 176.000 0.064 0.000 0.984 141 Q CA 2.219 58.059 55.803 0.061 0.000 0.846 141 Q CB -0.394 28.371 28.738 0.044 0.000 0.902 141 Q HN 0.961 nan 8.270 nan 0.000 0.421 142 M N -2.331 117.314 119.600 0.076 0.000 2.748 142 M HA 0.126 4.608 4.480 0.002 0.000 0.241 142 M C 1.071 177.418 176.300 0.078 0.000 1.080 142 M CA 1.615 56.960 55.300 0.075 0.000 1.068 142 M CB -0.111 32.544 32.600 0.091 0.000 1.536 142 M HN 0.307 nan 8.290 nan 0.000 0.540 143 G N 1.489 110.336 108.800 0.077 0.000 2.217 143 G HA2 -0.253 3.708 3.960 0.002 0.000 0.246 143 G HA3 -0.253 3.708 3.960 0.002 0.000 0.246 143 G C -0.054 174.877 174.900 0.053 0.000 0.990 143 G CA 0.168 45.306 45.100 0.062 0.000 0.627 143 G HN 0.527 nan 8.290 nan 0.000 0.522 144 L N 1.448 122.712 121.223 0.069 0.000 2.455 144 L HA 0.382 4.724 4.340 0.002 0.000 0.272 144 L C 0.480 177.308 176.870 -0.070 0.000 1.174 144 L CA 0.129 54.967 54.840 -0.004 0.000 0.869 144 L CB 0.379 42.476 42.059 0.063 0.000 1.130 144 L HN 0.122 nan 8.230 nan 0.000 0.474 145 K N 5.244 125.507 120.400 -0.229 0.000 2.182 145 K HA 0.476 4.797 4.320 0.002 0.000 0.262 145 K C -1.376 174.855 176.600 -0.615 0.000 0.957 145 K CA -0.475 55.647 56.287 -0.275 0.000 0.842 145 K CB 1.845 34.204 32.500 -0.235 0.000 1.099 145 K HN 0.257 nan 8.250 nan 0.000 0.438 146 F N 0.842 120.612 119.950 -0.301 0.000 2.507 146 F HA 0.299 4.827 4.527 0.002 0.000 0.325 146 F C 0.588 176.222 175.800 -0.277 0.000 1.116 146 F CA -0.953 56.878 58.000 -0.282 0.000 0.930 146 F CB 1.646 40.549 39.000 -0.162 0.000 1.146 146 F HN 0.354 nan 8.300 nan 0.000 0.447 147 R N 1.309 121.741 120.500 -0.114 0.000 2.500 147 R HA 0.980 5.322 4.340 0.002 0.000 0.277 147 R C -0.856 175.554 176.300 0.184 0.000 1.026 147 R CA -0.416 55.711 56.100 0.044 0.000 1.058 147 R CB 0.977 31.401 30.300 0.207 0.000 1.078 147 R HN 1.172 nan 8.270 nan 0.000 0.509 148 A N 0.475 123.388 122.820 0.155 0.000 2.599 148 A HA 0.548 4.869 4.320 0.002 0.000 0.290 148 A C -0.089 177.567 177.584 0.120 0.000 1.101 148 A CA -0.814 51.314 52.037 0.152 0.000 0.674 148 A CB 1.432 20.502 19.000 0.117 0.000 1.277 148 A HN 0.822 nan 8.150 nan 0.000 0.419 149 K N -0.247 120.218 120.400 0.110 0.000 2.323 149 K HA 0.460 4.781 4.320 0.002 0.000 0.197 149 K C 0.489 177.151 176.600 0.104 0.000 1.043 149 K CA 1.228 57.574 56.287 0.098 0.000 0.997 149 K CB 0.576 33.128 32.500 0.087 0.000 0.807 149 K HN 0.842 nan 8.250 nan 0.000 0.497 150 A N 0.673 123.551 122.820 0.097 0.000 2.572 150 A HA 0.617 4.938 4.320 0.002 0.000 0.295 150 A C -1.553 176.079 177.584 0.081 0.000 1.072 150 A CA -0.606 51.508 52.037 0.128 0.000 0.691 150 A CB 1.993 21.072 19.000 0.132 0.000 1.291 150 A HN -0.083 nan 8.150 nan 0.000 0.404 151 V N 0.828 120.815 119.914 0.120 0.000 3.040 151 V HA 0.787 4.908 4.120 0.002 0.000 0.312 151 V C -1.262 174.872 176.094 0.066 0.000 1.115 151 V CA -0.450 61.873 62.300 0.038 0.000 0.998 151 V CB 2.290 34.109 31.823 -0.007 0.000 1.042 151 V HN 0.958 nan 8.190 nan 0.000 0.433 152 V N 5.401 125.297 119.914 -0.030 0.000 2.577 152 V HA 0.518 4.639 4.120 0.002 0.000 0.303 152 V C -0.540 175.499 176.094 -0.091 0.000 1.042 152 V CA -0.435 61.844 62.300 -0.034 0.000 0.872 152 V CB 1.673 33.466 31.823 -0.049 0.000 0.998 152 V HN 0.727 nan 8.190 nan 0.000 0.423 153 L N 4.908 126.040 121.223 -0.153 0.000 2.331 153 L HA 0.824 5.165 4.340 0.002 0.000 0.275 153 L C 0.713 177.580 176.870 -0.005 0.000 1.022 153 L CA 0.225 54.985 54.840 -0.133 0.000 0.812 153 L CB 2.289 44.168 42.059 -0.299 0.000 1.257 153 L HN 0.973 nan 8.230 nan 0.000 0.435 154 T N -0.295 114.292 114.554 0.055 0.000 2.227 154 T HA 0.327 4.678 4.350 0.002 0.000 0.178 154 T C 0.124 174.902 174.700 0.130 0.000 0.695 154 T CA 0.095 62.264 62.100 0.116 0.000 1.318 154 T CB -0.118 68.805 68.868 0.092 0.000 2.485 154 T HN 0.316 nan 8.240 nan 0.000 0.424 155 V N 1.037 121.013 119.914 0.102 0.000 2.901 155 V HA 0.559 4.680 4.120 0.002 0.000 0.307 155 V C 1.646 177.798 176.094 0.097 0.000 1.084 155 V CA 0.487 62.825 62.300 0.064 0.000 1.184 155 V CB -0.185 31.651 31.823 0.022 0.000 0.941 155 V HN 1.707 nan 8.190 nan 0.000 0.493 156 G N 1.589 110.429 108.800 0.066 0.000 3.006 156 G HA2 -0.236 3.725 3.960 0.002 0.000 0.195 156 G HA3 -0.236 3.725 3.960 0.002 0.000 0.195 156 G C 0.899 175.869 174.900 0.116 0.000 1.034 156 G CA 0.722 45.876 45.100 0.089 0.000 0.807 156 G HN 1.095 nan 8.290 nan 0.000 0.469 157 T N -0.819 113.841 114.554 0.177 0.000 2.737 157 T HA 0.237 4.588 4.350 0.002 0.000 0.269 157 T C 0.669 175.578 174.700 0.349 0.000 1.040 157 T CA 2.234 64.489 62.100 0.259 0.000 1.142 157 T CB -0.110 68.968 68.868 0.351 0.000 0.861 157 T HN 0.683 nan 8.240 nan 0.000 0.456 182 P HA -0.107 nan 4.420 nan 0.000 0.218 182 P C 2.079 179.421 177.300 0.071 0.000 1.148 182 P CA 1.376 64.517 63.100 0.069 0.000 0.822 182 P CB 0.153 31.889 31.700 0.060 0.000 0.784 183 L N -0.219 121.056 121.223 0.086 0.000 2.017 183 L HA -0.177 4.164 4.340 0.002 0.000 0.208 183 L C 2.415 179.350 176.870 0.108 0.000 1.073 183 L CA 2.354 57.249 54.840 0.092 0.000 0.745 183 L CB -0.757 41.367 42.059 0.108 0.000 0.894 183 L HN 0.130 nan 8.230 nan 0.000 0.432 184 S N -0.351 115.430 115.700 0.135 0.000 2.343 184 S HA -0.321 4.150 4.470 0.002 0.000 0.219 184 S C 2.112 176.760 174.600 0.079 0.000 1.033 184 S CA 1.364 59.648 58.200 0.139 0.000 1.014 184 S CB -0.710 62.563 63.200 0.122 0.000 0.915 184 S HN 0.435 nan 8.310 nan 0.000 0.435 185 R N 1.256 121.786 120.500 0.051 0.000 2.117 185 R HA -0.156 4.185 4.340 0.002 0.000 0.243 185 R C 2.627 178.936 176.300 0.016 0.000 1.143 185 R CA 1.759 57.875 56.100 0.025 0.000 0.968 185 R CB -0.308 30.008 30.300 0.027 0.000 0.863 185 R HN 0.464 nan 8.270 nan 0.000 0.444 186 R N 0.724 121.238 120.500 0.022 0.000 2.105 186 R HA -0.104 4.237 4.340 0.002 0.000 0.239 186 R C 2.077 178.358 176.300 -0.032 0.000 1.135 186 R CA 1.618 57.721 56.100 0.006 0.000 0.967 186 R CB -0.546 29.764 30.300 0.017 0.000 0.861 186 R HN 0.330 nan 8.270 nan 0.000 0.442 187 L N -0.554 120.641 121.223 -0.046 0.000 2.109 187 L HA 0.002 4.343 4.340 0.002 0.000 0.207 187 L C 2.283 179.047 176.870 -0.177 0.000 1.086 187 L CA 1.165 55.906 54.840 -0.166 0.000 0.760 187 L CB -0.249 41.665 42.059 -0.241 0.000 0.910 187 L HN 0.025 nan 8.230 nan 0.000 0.437 188 R N 0.030 120.493 120.500 -0.063 0.000 2.189 188 R HA -0.047 4.295 4.340 0.002 0.000 0.218 188 R C 1.807 178.076 176.300 -0.052 0.000 1.074 188 R CA 0.471 56.542 56.100 -0.048 0.000 0.991 188 R CB -0.353 29.939 30.300 -0.014 0.000 0.883 188 R HN 0.203 nan 8.270 nan 0.000 0.457 189 E N 0.083 120.258 120.200 -0.041 0.000 2.510 189 E HA -0.084 4.267 4.350 0.002 0.000 0.202 189 E C -0.192 176.397 176.600 -0.019 0.000 1.072 189 E CA 0.599 56.987 56.400 -0.019 0.000 0.883 189 E CB 0.075 29.772 29.700 -0.005 0.000 0.818 189 E HN 0.062 nan 8.360 nan 0.000 0.548 190 L N 0.229 121.402 121.223 -0.082 0.000 2.370 190 L HA 0.298 4.639 4.340 0.002 0.000 0.266 190 L C -2.110 174.683 176.870 -0.127 0.000 1.002 190 L CA -2.462 52.321 54.840 -0.095 0.000 0.818 190 L CB 1.473 43.335 42.059 -0.328 0.000 1.325 190 L HN -0.305 nan 8.230 nan 0.000 0.418 191 P HA 0.032 nan 4.420 nan 0.000 0.311 191 P C -0.139 177.164 177.300 0.005 0.000 1.543 191 P CA 0.059 63.253 63.100 0.156 0.000 0.766 191 P CB -0.275 31.641 31.700 0.361 0.000 1.711 192 L N 0.605 121.611 121.223 -0.361 0.000 2.361 192 L HA 0.119 4.460 4.340 0.002 0.000 0.278 192 L C 1.018 177.827 176.870 -0.100 0.000 1.113 192 L CA 0.136 54.747 54.840 -0.383 0.000 0.849 192 L CB 0.151 41.859 42.059 -0.585 0.000 1.155 192 L HN -0.037 nan 8.230 nan 0.000 0.452 193 R N 3.216 123.692 120.500 -0.039 0.000 2.404 193 R HA 0.208 4.549 4.340 0.002 0.000 0.315 193 R C -0.516 175.762 176.300 -0.038 0.000 1.032 193 R CA -0.357 55.725 56.100 -0.030 0.000 0.992 193 R CB 0.155 30.441 30.300 -0.023 0.000 0.959 193 R HN 0.360 nan 8.270 nan 0.000 0.428 194 V N 2.265 122.127 119.914 -0.087 0.000 2.953 194 V HA 0.491 4.612 4.120 0.002 0.000 0.304 194 V C 1.139 176.973 176.094 -0.433 0.000 1.073 194 V CA -0.316 61.849 62.300 -0.225 0.000 1.064 194 V CB 1.560 33.265 31.823 -0.197 0.000 1.047 194 V HN 0.965 nan 8.190 nan 0.000 0.478 195 G N 1.484 109.805 108.800 -0.797 0.000 3.243 195 G HA2 0.782 4.744 3.960 0.002 0.000 0.248 195 G HA3 0.782 4.744 3.960 0.002 0.000 0.248 195 G C -1.084 173.340 174.900 -0.794 0.000 1.267 195 G CA -0.821 43.639 45.100 -1.066 0.000 0.906 195 G HN 0.750 nan 8.290 nan 0.000 0.592 196 R N -1.669 118.456 120.500 -0.624 0.000 2.594 196 R HA 0.619 4.960 4.340 0.002 0.000 0.265 196 R C -2.467 173.870 176.300 0.062 0.000 1.070 196 R CA -0.575 55.398 56.100 -0.213 0.000 0.909 196 R CB 1.691 31.906 30.300 -0.142 0.000 1.243 196 R HN 0.508 nan 8.270 nan 0.000 0.455 197 L N 2.932 124.125 121.223 -0.049 0.000 2.439 197 L HA 0.500 4.841 4.340 0.002 0.000 0.270 197 L C -1.145 175.649 176.870 -0.128 0.000 0.972 197 L CA -0.343 54.421 54.840 -0.127 0.000 0.836 197 L CB 2.022 43.816 42.059 -0.442 0.000 1.255 197 L HN 0.612 nan 8.230 nan 0.000 0.404 198 K N 2.568 122.938 120.400 -0.050 0.000 2.316 198 K HA 0.534 4.855 4.320 0.002 0.000 0.289 198 K C -0.607 175.995 176.600 0.004 0.000 1.070 198 K CA -0.089 56.194 56.287 -0.006 0.000 0.928 198 K CB 0.981 33.482 32.500 0.001 0.000 1.039 198 K HN 0.554 nan 8.250 nan 0.000 0.480 199 T N 1.503 116.091 114.554 0.056 0.000 3.032 199 T HA 0.630 4.981 4.350 0.002 0.000 0.312 199 T C -0.955 173.802 174.700 0.095 0.000 1.078 199 T CA -0.541 61.606 62.100 0.079 0.000 1.028 199 T CB 1.246 70.195 68.868 0.135 0.000 1.091 199 T HN 0.754 nan 8.240 nan 0.000 0.457 200 G N 1.437 110.255 108.800 0.029 0.000 2.649 200 G HA2 0.661 4.622 3.960 0.002 0.000 0.290 200 G HA3 0.661 4.622 3.960 0.002 0.000 0.290 200 G C -1.329 173.491 174.900 -0.134 0.000 1.426 200 G CA -0.461 44.606 45.100 -0.056 0.000 0.794 200 G HN 0.764 nan 8.290 nan 0.000 0.483 201 T N 1.198 115.557 114.554 -0.326 0.000 2.906 201 T HA 0.754 5.105 4.350 0.002 0.000 0.295 201 T C -2.487 172.070 174.700 -0.239 0.000 1.061 201 T CA -1.397 60.566 62.100 -0.229 0.000 1.000 201 T CB 2.270 71.021 68.868 -0.196 0.000 1.103 201 T HN 0.384 nan 8.240 nan 0.000 0.486 202 P HA 0.256 nan 4.420 nan 0.000 0.274 202 P C -2.491 174.715 177.300 -0.157 0.000 1.264 202 P CA -1.043 61.928 63.100 -0.214 0.000 0.795 202 P CB -0.515 30.958 31.700 -0.379 0.000 1.064 203 P HA 0.175 nan 4.420 nan 0.000 0.310 203 P C -0.439 176.843 177.300 -0.030 0.000 1.309 203 P CA 0.267 63.359 63.100 -0.013 0.000 0.753 203 P CB 0.452 32.152 31.700 -0.001 0.000 1.491 204 R N -1.528 118.989 120.500 0.028 0.000 2.563 204 R HA 0.520 4.861 4.340 0.002 0.000 0.262 204 R C -1.146 175.188 176.300 0.057 0.000 1.128 204 R CA -0.429 55.700 56.100 0.048 0.000 0.969 204 R CB 0.956 31.315 30.300 0.098 0.000 1.251 204 R HN 0.333 nan 8.270 nan 0.000 0.442 205 I N 1.289 121.888 120.570 0.049 0.000 2.474 205 I HA 0.220 4.391 4.170 0.002 0.000 0.294 205 I C -0.364 175.785 176.117 0.054 0.000 1.005 205 I CA -0.817 60.505 61.300 0.036 0.000 1.113 205 I CB 1.902 39.899 38.000 -0.004 0.000 1.289 205 I HN 0.461 nan 8.210 nan 0.000 0.436 206 D N 4.999 125.427 120.400 0.048 0.000 2.357 206 D HA 0.125 4.766 4.640 0.002 0.000 0.265 206 D C 1.195 177.535 176.300 0.067 0.000 1.334 206 D CA 0.188 54.220 54.000 0.054 0.000 0.984 206 D CB 1.065 41.891 40.800 0.043 0.000 1.077 206 D HN 0.658 nan 8.370 nan 0.000 0.514 207 A N 4.724 127.610 122.820 0.109 0.000 2.148 207 A HA -0.246 4.075 4.320 0.002 0.000 0.222 207 A C 2.148 179.861 177.584 0.216 0.000 1.161 207 A CA 1.276 53.440 52.037 0.212 0.000 0.662 207 A CB -0.211 18.916 19.000 0.212 0.000 0.799 207 A HN 0.603 nan 8.150 nan 0.000 0.466 208 R N -0.841 119.726 120.500 0.112 0.000 2.148 208 R HA -0.055 4.286 4.340 0.002 0.000 0.223 208 R C 1.671 178.010 176.300 0.066 0.000 1.088 208 R CA 1.513 57.665 56.100 0.087 0.000 0.985 208 R CB -0.231 30.100 30.300 0.051 0.000 0.880 208 R HN 0.673 nan 8.270 nan 0.000 0.451 209 T N -2.082 112.495 114.554 0.037 0.000 3.244 209 T HA 0.344 4.695 4.350 0.002 0.000 0.254 209 T C 0.408 175.073 174.700 -0.058 0.000 1.024 209 T CA -0.189 61.910 62.100 -0.002 0.000 0.920 209 T CB -0.155 68.711 68.868 -0.003 0.000 1.042 209 T HN -0.072 nan 8.240 nan 0.000 0.572 210 I N 1.335 121.851 120.570 -0.090 0.000 2.474 210 I HA 0.399 4.570 4.170 0.002 0.000 0.294 210 I C -0.804 175.119 176.117 -0.322 0.000 1.005 210 I CA -1.085 60.027 61.300 -0.314 0.000 1.113 210 I CB 1.958 39.572 38.000 -0.642 0.000 1.289 210 I HN 0.030 nan 8.210 nan 0.000 0.436 211 D N 4.937 125.146 120.400 -0.318 0.000 2.347 211 D HA 0.235 4.876 4.640 0.002 0.000 0.235 211 D C 0.146 176.276 176.300 -0.283 0.000 1.149 211 D CA 0.043 53.935 54.000 -0.179 0.000 0.850 211 D CB 0.728 41.468 40.800 -0.099 0.000 1.061 211 D HN 0.266 nan 8.370 nan 0.000 0.487 212 F N 1.274 121.140 119.950 -0.141 0.000 2.530 212 F HA -0.047 4.481 4.527 0.002 0.000 0.292 212 F C 2.646 178.447 175.800 0.002 0.000 1.109 212 F CA 0.325 58.208 58.000 -0.195 0.000 1.450 212 F CB -0.207 38.508 39.000 -0.474 0.000 1.114 212 F HN 0.381 nan 8.300 nan 0.000 0.560 213 S N 0.506 116.314 115.700 0.181 0.000 2.374 213 S HA -0.227 4.244 4.470 0.002 0.000 0.227 213 S C 2.027 176.686 174.600 0.099 0.000 1.037 213 S CA 1.531 59.814 58.200 0.139 0.000 1.024 213 S CB -1.532 61.723 63.200 0.091 0.000 0.861 213 S HN 0.321 nan 8.310 nan 0.000 0.456 214 V N -0.800 119.144 119.914 0.049 0.000 3.510 214 V HA 0.385 4.506 4.120 0.002 0.000 0.270 214 V C 0.502 176.605 176.094 0.015 0.000 1.201 214 V CA 0.196 62.508 62.300 0.019 0.000 1.166 214 V CB -1.142 30.671 31.823 -0.016 0.000 0.825 214 V HN 0.451 nan 8.190 nan 0.000 0.484 215 L N 1.155 122.415 121.223 0.061 0.000 2.334 215 L HA 0.838 5.179 4.340 0.002 0.000 0.273 215 L C 0.658 177.607 176.870 0.131 0.000 1.013 215 L CA -0.380 54.501 54.840 0.069 0.000 0.816 215 L CB 1.509 43.623 42.059 0.093 0.000 1.278 215 L HN 0.207 nan 8.230 nan 0.000 0.431 216 A N 2.351 125.196 122.820 0.041 0.000 2.327 216 A HA 0.490 4.811 4.320 0.002 0.000 0.255 216 A C -0.433 177.109 177.584 -0.069 0.000 1.099 216 A CA -0.181 51.853 52.037 -0.004 0.000 0.801 216 A CB 0.540 19.519 19.000 -0.036 0.000 1.062 216 A HN 0.770 nan 8.150 nan 0.000 0.496 217 Q N -0.190 119.479 119.800 -0.219 0.000 2.389 217 Q HA 0.561 4.902 4.340 0.002 0.000 0.277 217 Q C -1.152 174.528 176.000 -0.533 0.000 1.082 217 Q CA -0.790 54.716 55.803 -0.495 0.000 0.810 217 Q CB 1.552 29.824 28.738 -0.777 0.000 1.374 217 Q HN 0.715 nan 8.270 nan 0.000 0.422 218 Q N 2.313 121.828 119.800 -0.476 0.000 2.325 218 Q HA 0.306 4.647 4.340 0.002 0.000 0.262 218 Q C -1.275 174.495 176.000 -0.385 0.000 0.968 218 Q CA -0.266 55.325 55.803 -0.353 0.000 0.877 218 Q CB 0.872 29.561 28.738 -0.081 0.000 1.253 218 Q HN 0.854 nan 8.270 nan 0.000 0.448 219 H N 1.048 120.084 119.070 -0.056 0.000 2.760 219 H HA 0.695 5.252 4.556 0.002 0.000 0.301 219 H C 0.096 175.410 175.328 -0.024 0.000 1.498 219 H CA -0.654 55.367 56.048 -0.045 0.000 1.525 219 H CB 1.009 30.746 29.762 -0.041 0.000 1.771 219 H HN 0.718 nan 8.280 nan 0.000 0.827 220 G N -0.617 108.269 108.800 0.144 0.000 2.417 220 G HA2 0.227 4.188 3.960 0.002 0.000 0.334 220 G HA3 0.227 4.188 3.960 0.002 0.000 0.334 220 G C -0.974 173.959 174.900 0.055 0.000 1.150 220 G CA -0.730 44.415 45.100 0.074 0.000 0.923 220 G HN 0.536 nan 8.290 nan 0.000 0.485 221 D N 0.296 120.715 120.400 0.030 0.000 2.515 221 D HA 0.016 4.657 4.640 0.002 0.000 0.230 221 D C 0.262 176.566 176.300 0.006 0.000 1.181 221 D CA 0.820 54.826 54.000 0.010 0.000 0.875 221 D CB 0.642 41.436 40.800 -0.011 0.000 1.213 221 D HN 0.371 nan 8.370 nan 0.000 0.478 222 N N 1.551 120.248 118.700 -0.005 0.000 2.572 222 N HA 0.140 4.881 4.740 0.002 0.000 0.287 222 N C -2.772 172.727 175.510 -0.018 0.000 1.136 222 N CA -1.072 51.971 53.050 -0.011 0.000 0.900 222 N CB 1.233 39.715 38.487 -0.008 0.000 1.484 222 N HN 0.114 nan 8.380 nan 0.000 0.526 223 P HA 0.152 nan 4.420 nan 0.000 0.265 223 P C 0.228 177.505 177.300 -0.037 0.000 1.193 223 P CA -0.069 63.012 63.100 -0.031 0.000 0.765 223 P CB 0.758 32.435 31.700 -0.038 0.000 0.823 224 M N 4.269 123.848 119.600 -0.035 0.000 2.290 224 M HA 0.018 4.499 4.480 0.002 0.000 0.356 224 M C -1.459 174.783 176.300 -0.098 0.000 1.448 224 M CA -0.702 54.564 55.300 -0.057 0.000 0.993 224 M CB -0.246 32.321 32.600 -0.055 0.000 1.934 224 M HN 0.361 nan 8.290 nan 0.000 0.461 225 P HA 0.204 nan 4.420 nan 0.000 0.274 225 P C -1.136 176.028 177.300 -0.226 0.000 1.260 225 P CA -0.439 62.568 63.100 -0.155 0.000 0.793 225 P CB 0.822 32.438 31.700 -0.140 0.000 1.048 226 V N 0.186 119.982 119.914 -0.197 0.000 2.653 226 V HA 0.217 4.339 4.120 0.002 0.000 0.298 226 V C 0.320 176.365 176.094 -0.082 0.000 1.097 226 V CA -0.494 61.739 62.300 -0.111 0.000 0.908 226 V CB 0.746 32.504 31.823 -0.109 0.000 1.024 226 V HN 0.431 nan 8.190 nan 0.000 0.435 227 F N 3.596 123.579 119.950 0.054 0.000 2.186 227 F HA 0.048 4.576 4.527 0.002 0.000 0.299 227 F C 1.892 177.651 175.800 -0.069 0.000 1.090 227 F CA 2.047 60.071 58.000 0.040 0.000 1.307 227 F CB 0.361 39.474 39.000 0.188 0.000 1.019 227 F HN 0.636 nan 8.300 nan 0.000 0.489 228 S N -0.870 114.943 115.700 0.188 0.000 2.601 228 S HA 0.094 4.565 4.470 0.002 0.000 0.271 228 S C 0.853 175.449 174.600 -0.006 0.000 1.305 228 S CA -0.644 57.626 58.200 0.117 0.000 1.022 228 S CB 0.503 63.786 63.200 0.139 0.000 0.940 228 S HN 0.163 nan 8.310 nan 0.000 0.525 229 F N 1.966 121.962 119.950 0.077 0.000 2.234 229 F HA 0.016 4.544 4.527 0.002 0.000 0.299 229 F C 1.636 177.458 175.800 0.038 0.000 1.087 229 F CA 0.573 58.604 58.000 0.053 0.000 1.340 229 F CB -0.101 38.939 39.000 0.066 0.000 1.031 229 F HN 0.368 nan 8.300 nan 0.000 0.500 230 M N -0.214 119.518 119.600 0.221 0.000 1.855 230 M HA 0.354 4.835 4.480 0.002 0.000 0.221 230 M C 1.097 177.428 176.300 0.052 0.000 1.275 230 M CA 0.288 55.657 55.300 0.115 0.000 0.937 230 M CB -0.834 31.828 32.600 0.103 0.000 1.279 230 M HN 0.223 nan 8.290 nan 0.000 0.490 231 G N 1.786 110.594 108.800 0.013 0.000 2.916 231 G HA2 -0.177 3.784 3.960 0.002 0.000 0.533 231 G HA3 -0.177 3.784 3.960 0.002 0.000 0.533 231 G C -0.559 174.284 174.900 -0.096 0.000 1.516 231 G CA -0.074 45.001 45.100 -0.042 0.000 0.944 231 G HN 1.207 nan 8.290 nan 0.000 0.555 232 N N -1.289 117.301 118.700 -0.183 0.000 3.179 232 N HA 0.580 5.321 4.740 0.002 0.000 0.250 232 N C 1.049 176.315 175.510 -0.407 0.000 1.507 232 N CA -0.129 52.785 53.050 -0.226 0.000 0.883 232 N CB 0.948 39.351 38.487 -0.139 0.000 1.435 232 N HN 1.534 nan 8.380 nan 0.000 0.532 233 A N 0.607 123.239 122.820 -0.314 0.000 1.972 233 A HA -0.056 4.265 4.320 0.002 0.000 0.219 233 A C 1.967 179.400 177.584 -0.251 0.000 1.169 233 A CA 1.911 53.765 52.037 -0.305 0.000 0.635 233 A CB -0.877 18.067 19.000 -0.093 0.000 0.810 233 A HN 0.641 nan 8.150 nan 0.000 0.446 234 S N -0.287 115.306 115.700 -0.179 0.000 2.442 234 S HA -0.184 4.287 4.470 0.002 0.000 0.236 234 S C 1.958 176.483 174.600 -0.125 0.000 1.007 234 S CA 1.390 59.523 58.200 -0.112 0.000 0.965 234 S CB -0.259 62.893 63.200 -0.081 0.000 0.773 234 S HN 0.734 nan 8.310 nan 0.000 0.504 235 Q N 0.097 119.759 119.800 -0.229 0.000 2.123 235 Q HA -0.030 4.311 4.340 0.002 0.000 0.199 235 Q C 0.026 175.970 176.000 -0.094 0.000 0.966 235 Q CA 0.630 56.326 55.803 -0.178 0.000 0.845 235 Q CB -0.114 28.492 28.738 -0.220 0.000 0.907 235 Q HN 0.577 nan 8.270 nan 0.000 0.439 236 H N 1.578 120.630 119.070 -0.031 0.000 2.928 236 H HA 0.061 4.619 4.556 0.002 0.000 0.338 236 H C -1.786 173.570 175.328 0.046 0.000 1.047 236 H CA -1.451 54.608 56.048 0.019 0.000 1.435 236 H CB -0.285 29.442 29.762 -0.057 0.000 1.428 236 H HN 0.187 nan 8.280 nan 0.000 0.590 237 P HA 0.009 nan 4.420 nan 0.000 0.293 237 P C -0.012 177.364 177.300 0.128 0.000 1.298 237 P CA -0.591 62.592 63.100 0.138 0.000 0.757 237 P CB 0.612 32.389 31.700 0.127 0.000 1.262 238 Q N 0.170 120.022 119.800 0.087 0.000 2.286 238 Q HA -0.038 4.303 4.340 0.002 0.000 0.290 238 Q C -0.267 175.780 176.000 0.078 0.000 1.049 238 Q CA 0.080 55.925 55.803 0.069 0.000 0.923 238 Q CB 0.257 29.024 28.738 0.048 0.000 1.183 238 Q HN 0.212 nan 8.270 nan 0.000 0.383 239 Q N 1.927 121.770 119.800 0.071 0.000 2.306 239 Q HA 0.470 4.811 4.340 0.002 0.000 0.241 239 Q C -0.831 175.204 176.000 0.058 0.000 0.948 239 Q CA -0.276 55.572 55.803 0.074 0.000 0.886 239 Q CB 1.863 30.644 28.738 0.071 0.000 1.227 239 Q HN 0.542 nan 8.270 nan 0.000 0.457 240 V N 2.411 122.363 119.914 0.064 0.000 3.087 240 V HA 0.554 4.675 4.120 0.002 0.000 0.306 240 V C -2.503 173.637 176.094 0.077 0.000 1.187 240 V CA -1.863 60.477 62.300 0.067 0.000 0.999 240 V CB 2.946 34.804 31.823 0.059 0.000 1.049 240 V HN 0.693 nan 8.190 nan 0.000 0.431 241 P HA 0.525 nan 4.420 nan 0.000 0.287 241 P C -0.823 176.462 177.300 -0.026 0.000 1.279 241 P CA -0.452 62.639 63.100 -0.014 0.000 0.867 241 P CB 1.278 32.893 31.700 -0.141 0.000 1.127 242 C N 0.768 120.040 119.300 -0.047 0.000 2.480 242 C HA 0.465 4.926 4.460 0.002 0.000 0.344 242 C C -0.239 174.717 174.990 -0.057 0.000 1.380 242 C CA 0.189 59.262 59.018 0.092 0.000 2.386 242 C CB -0.689 27.127 27.740 0.127 0.000 2.210 242 C HN 0.478 nan 8.230 nan 0.000 0.640 243 Y N 0.478 120.853 120.300 0.125 0.000 2.421 243 Y HA 0.538 5.089 4.550 0.002 0.000 0.339 243 Y C 0.152 176.048 175.900 -0.006 0.000 0.996 243 Y CA -0.791 57.361 58.100 0.087 0.000 1.046 243 Y CB 0.758 39.342 38.460 0.207 0.000 1.226 243 Y HN 0.303 nan 8.280 nan 0.000 0.445 244 I N 2.374 122.954 120.570 0.018 0.000 2.396 244 I HA 0.514 4.685 4.170 0.002 0.000 0.292 244 I C 0.300 176.261 176.117 -0.260 0.000 0.999 244 I CA -0.139 61.053 61.300 -0.181 0.000 1.310 244 I CB 1.281 39.141 38.000 -0.233 0.000 1.404 244 I HN 0.638 nan 8.210 nan 0.000 0.496 245 T N 5.132 119.447 114.554 -0.398 0.000 2.792 245 T HA 0.623 4.974 4.350 0.002 0.000 0.303 245 T C -1.116 173.234 174.700 -0.582 0.000 1.310 245 T CA -0.383 61.376 62.100 -0.567 0.000 1.007 245 T CB 1.672 70.339 68.868 -0.335 0.000 1.335 245 T HN 0.908 nan 8.240 nan 0.000 0.504 246 H N -1.284 117.698 119.070 -0.145 0.000 2.902 246 H HA 0.456 5.013 4.556 0.002 0.000 0.297 246 H C 0.013 175.289 175.328 -0.086 0.000 1.406 246 H CA -0.584 55.383 56.048 -0.135 0.000 1.134 246 H CB 0.314 29.998 29.762 -0.130 0.000 1.833 246 H HN 0.810 nan 8.280 nan 0.000 0.527 247 T N -0.730 113.908 114.554 0.139 0.000 2.887 247 T HA 0.199 4.550 4.350 0.002 0.000 0.371 247 T C 0.230 174.971 174.700 0.068 0.000 1.126 247 T CA -0.076 62.062 62.100 0.064 0.000 1.043 247 T CB 0.139 69.031 68.868 0.041 0.000 1.362 247 T HN 0.661 nan 8.240 nan 0.000 0.525 290 R N 2.881 123.313 120.500 -0.114 0.000 4.263 290 R HA 0.336 4.677 4.340 0.002 0.000 0.248 290 R C 0.920 177.172 176.300 -0.079 0.000 1.796 290 R CA 0.267 56.318 56.100 -0.083 0.000 1.518 290 R CB -1.337 28.913 30.300 -0.082 0.000 1.342 290 R HN 0.558 nan 8.270 nan 0.000 0.706 291 N N 0.343 119.000 118.700 -0.071 0.000 2.714 291 N HA -0.223 4.518 4.740 0.002 0.000 0.252 291 N C -0.512 174.964 175.510 -0.057 0.000 1.014 291 N CA 1.338 54.357 53.050 -0.052 0.000 0.735 291 N CB -1.033 37.438 38.487 -0.027 0.000 0.924 291 N HN 0.868 nan 8.380 nan 0.000 0.540 292 Q N -0.304 119.428 119.800 -0.113 0.000 2.316 292 Q HA 0.267 4.609 4.340 0.002 0.000 0.215 292 Q C 0.215 176.209 176.000 -0.009 0.000 1.020 292 Q CA -0.441 55.305 55.803 -0.095 0.000 0.970 292 Q CB 0.327 28.924 28.738 -0.234 0.000 1.187 292 Q HN 0.496 nan 8.270 nan 0.000 0.546 293 H N 1.021 120.062 119.070 -0.048 0.000 2.934 293 H HA 0.095 4.652 4.556 0.002 0.000 0.273 293 H C -0.925 174.396 175.328 -0.011 0.000 1.121 293 H CA -0.380 55.654 56.048 -0.022 0.000 1.451 293 H CB 0.126 29.879 29.762 -0.016 0.000 1.469 293 H HN 0.389 nan 8.280 nan 0.000 0.476 294 Q N 6.147 125.707 119.800 -0.399 0.000 2.279 294 Q HA 0.277 4.618 4.340 0.002 0.000 0.256 294 Q C -0.410 175.184 176.000 -0.677 0.000 0.937 294 Q CA -0.888 54.651 55.803 -0.440 0.000 0.933 294 Q CB 1.575 30.078 28.738 -0.392 0.000 1.189 294 Q HN 0.629 nan 8.270 nan 0.000 0.417 295 I N 0.010 120.263 120.570 -0.528 0.000 2.328 295 I HA 0.384 4.555 4.170 0.002 0.000 0.287 295 I C -1.129 174.830 176.117 -0.263 0.000 1.012 295 I CA -1.007 60.086 61.300 -0.344 0.000 1.195 295 I CB -0.159 37.719 38.000 -0.203 0.000 1.350 295 I HN 0.519 nan 8.210 nan 0.000 0.464 296 F N 6.079 125.990 119.950 -0.064 0.000 2.543 296 F HA 0.275 4.803 4.527 0.002 0.000 0.375 296 F C 0.587 176.405 175.800 0.030 0.000 1.075 296 F CA -0.193 57.803 58.000 -0.008 0.000 1.225 296 F CB 0.562 39.570 39.000 0.013 0.000 1.099 296 F HN 0.338 nan 8.300 nan 0.000 0.561 297 L N 4.597 125.956 121.223 0.226 0.000 2.259 297 L HA 0.340 4.681 4.340 0.002 0.000 0.288 297 L C -0.310 176.727 176.870 0.279 0.000 1.051 297 L CA -0.416 54.547 54.840 0.206 0.000 0.824 297 L CB 0.535 42.682 42.059 0.147 0.000 1.206 297 L HN 0.616 nan 8.230 nan 0.000 0.429 298 E N 5.267 125.623 120.200 0.259 0.000 2.216 298 E HA 0.327 4.678 4.350 0.002 0.000 0.279 298 E C -2.350 174.369 176.600 0.199 0.000 0.997 298 E CA -1.909 54.621 56.400 0.217 0.000 0.817 298 E CB 1.142 30.943 29.700 0.168 0.000 1.096 298 E HN 0.292 nan 8.360 nan 0.000 0.393 299 P HA 0.034 nan 4.420 nan 0.000 0.280 299 P C -0.052 177.298 177.300 0.084 0.000 1.244 299 P CA -0.073 63.101 63.100 0.123 0.000 0.784 299 P CB 1.168 32.927 31.700 0.097 0.000 0.913 300 E N 1.415 121.665 120.200 0.083 0.000 2.152 300 E HA 0.038 4.389 4.350 0.002 0.000 0.192 300 E C 1.141 177.762 176.600 0.034 0.000 0.983 300 E CA 1.090 57.523 56.400 0.056 0.000 0.818 300 E CB 0.012 29.755 29.700 0.072 0.000 0.758 300 E HN 0.733 nan 8.360 nan 0.000 0.467 301 G N -0.895 107.930 108.800 0.041 0.000 2.441 301 G HA2 0.248 4.209 3.960 0.002 0.000 0.294 301 G HA3 0.248 4.209 3.960 0.002 0.000 0.294 301 G C 0.028 174.949 174.900 0.035 0.000 1.393 301 G CA -0.769 44.353 45.100 0.035 0.000 0.796 301 G HN 0.005 nan 8.290 nan 0.000 0.494 302 L N 0.032 121.276 121.223 0.035 0.000 2.291 302 L HA 0.087 4.428 4.340 0.002 0.000 0.214 302 L C 2.034 178.918 176.870 0.023 0.000 1.120 302 L CA 1.841 56.699 54.840 0.030 0.000 0.799 302 L CB -0.110 41.970 42.059 0.035 0.000 0.925 302 L HN 0.694 nan 8.230 nan 0.000 0.446 303 T N -5.125 109.444 114.554 0.025 0.000 3.380 303 T HA 0.226 4.577 4.350 0.002 0.000 0.289 303 T C 0.165 174.879 174.700 0.024 0.000 1.012 303 T CA -0.263 61.850 62.100 0.021 0.000 0.944 303 T CB 0.585 69.466 68.868 0.021 0.000 1.172 303 T HN -0.025 nan 8.240 nan 0.000 0.502 304 S N 0.601 116.318 115.700 0.027 0.000 2.600 304 S HA 0.573 5.044 4.470 0.002 0.000 0.300 304 S C -0.044 174.577 174.600 0.034 0.000 1.087 304 S CA -0.724 57.496 58.200 0.034 0.000 0.965 304 S CB 1.118 64.344 63.200 0.042 0.000 1.089 304 S HN 0.227 nan 8.310 nan 0.000 0.496 305 N N 1.708 120.433 118.700 0.042 0.000 2.234 305 N HA 0.233 4.975 4.740 0.002 0.000 0.227 305 N C -0.837 174.715 175.510 0.070 0.000 1.151 305 N CA 0.046 53.126 53.050 0.049 0.000 0.865 305 N CB 0.636 39.149 38.487 0.044 0.000 1.066 305 N HN 0.602 nan 8.380 nan 0.000 0.515 306 E N 0.396 120.641 120.200 0.075 0.000 2.204 306 E HA 0.388 4.739 4.350 0.002 0.000 0.276 306 E C -0.321 176.349 176.600 0.116 0.000 0.974 306 E CA -0.471 55.983 56.400 0.092 0.000 0.815 306 E CB 1.942 31.696 29.700 0.090 0.000 1.119 306 E HN -0.040 nan 8.360 nan 0.000 0.393 307 I N 3.152 123.798 120.570 0.127 0.000 2.418 307 I HA 0.130 4.302 4.170 0.002 0.000 0.287 307 I C -0.940 175.273 176.117 0.160 0.000 1.008 307 I CA -0.688 60.704 61.300 0.153 0.000 1.104 307 I CB 1.025 39.110 38.000 0.141 0.000 1.264 307 I HN 0.601 nan 8.210 nan 0.000 0.438 308 Y N 9.627 129.964 120.300 0.061 0.000 2.486 308 Y HA 0.321 4.873 4.550 0.002 0.000 0.348 308 Y C -1.895 174.037 175.900 0.054 0.000 1.000 308 Y CA -1.894 56.234 58.100 0.047 0.000 1.253 308 Y CB 0.971 39.454 38.460 0.039 0.000 1.140 308 Y HN 0.299 nan 8.280 nan 0.000 0.526 309 P HA 0.061 nan 4.420 nan 0.000 0.251 309 P C -0.864 176.315 177.300 -0.200 0.000 1.718 309 P CA -0.118 62.899 63.100 -0.138 0.000 1.119 309 P CB -0.069 31.547 31.700 -0.141 0.000 1.762 310 N N 2.289 121.003 118.700 0.023 0.000 2.411 310 N HA 0.155 4.896 4.740 0.002 0.000 0.261 310 N C 1.342 176.926 175.510 0.123 0.000 1.248 310 N CA 1.202 54.335 53.050 0.139 0.000 0.885 310 N CB -0.036 38.632 38.487 0.301 0.000 1.062 310 N HN 0.519 nan 8.380 nan 0.000 0.471 311 G N 3.225 112.081 108.800 0.094 0.000 2.391 311 G HA2 -0.239 3.722 3.960 0.002 0.000 0.204 311 G HA3 -0.239 3.722 3.960 0.002 0.000 0.204 311 G C 0.263 175.239 174.900 0.126 0.000 1.012 311 G CA 0.049 45.235 45.100 0.143 0.000 0.651 311 G HN 0.746 nan 8.290 nan 0.000 0.494 312 I N 2.104 122.688 120.570 0.024 0.000 2.581 312 I HA 0.682 4.853 4.170 0.002 0.000 0.288 312 I C 0.882 176.979 176.117 -0.033 0.000 1.047 312 I CA 0.101 61.403 61.300 0.004 0.000 1.374 312 I CB 1.470 39.445 38.000 -0.042 0.000 1.423 312 I HN 0.549 nan 8.210 nan 0.000 0.549 313 S N 3.631 119.316 115.700 -0.025 0.000 2.552 313 S HA 0.016 4.487 4.470 0.002 0.000 0.289 313 S C 1.206 175.777 174.600 -0.048 0.000 1.304 313 S CA 0.050 58.232 58.200 -0.031 0.000 1.063 313 S CB 0.953 64.135 63.200 -0.029 0.000 0.848 313 S HN 0.942 nan 8.310 nan 0.000 0.499 314 T N 2.001 116.529 114.554 -0.043 0.000 2.668 314 T HA 0.014 4.365 4.350 0.002 0.000 0.258 314 T C 0.881 175.562 174.700 -0.033 0.000 1.051 314 T CA 0.902 62.970 62.100 -0.054 0.000 1.155 314 T CB -0.965 67.876 68.868 -0.046 0.000 0.864 314 T HN 0.574 nan 8.240 nan 0.000 0.413 315 S N 2.235 117.928 115.700 -0.012 0.000 2.465 315 S HA 0.604 5.075 4.470 0.002 0.000 0.280 315 S C -0.694 173.910 174.600 0.007 0.000 1.232 315 S CA -0.512 57.693 58.200 0.009 0.000 1.066 315 S CB 0.088 63.294 63.200 0.011 0.000 0.929 315 S HN 0.502 nan 8.310 nan 0.000 0.494 316 L N 5.399 126.637 121.223 0.025 0.000 2.781 316 L HA 0.371 4.712 4.340 0.002 0.000 0.256 316 L C -2.672 174.228 176.870 0.050 0.000 0.930 316 L CA -1.002 53.849 54.840 0.019 0.000 0.967 316 L CB 1.414 43.468 42.059 -0.008 0.000 1.551 316 L HN 0.361 nan 8.230 nan 0.000 0.445 317 P HA 0.199 nan 4.420 nan 0.000 0.269 317 P C 0.415 177.772 177.300 0.096 0.000 1.215 317 P CA -0.134 63.014 63.100 0.080 0.000 0.780 317 P CB 0.368 32.100 31.700 0.054 0.000 0.898 318 F N 1.303 121.264 119.950 0.018 0.000 2.216 318 F HA -0.194 4.334 4.527 0.002 0.000 0.300 318 F C 1.856 177.660 175.800 0.006 0.000 1.085 318 F CA 1.556 59.565 58.000 0.015 0.000 1.326 318 F CB -0.310 38.701 39.000 0.018 0.000 1.027 318 F HN 0.268 nan 8.300 nan 0.000 0.497 319 D N 0.166 120.608 120.400 0.069 0.000 2.421 319 D HA -0.282 4.359 4.640 0.002 0.000 0.195 319 D C 2.508 178.735 176.300 -0.121 0.000 1.022 319 D CA 2.469 56.466 54.000 -0.005 0.000 0.871 319 D CB -0.890 39.925 40.800 0.025 0.000 1.026 319 D HN 0.267 nan 8.370 nan 0.000 0.462 320 V N 0.478 120.334 119.914 -0.096 0.000 2.427 320 V HA -0.220 3.901 4.120 0.002 0.000 0.248 320 V C 2.368 178.355 176.094 -0.178 0.000 1.051 320 V CA 2.199 64.434 62.300 -0.109 0.000 1.048 320 V CB -0.415 31.369 31.823 -0.064 0.000 0.666 320 V HN 0.272 nan 8.190 nan 0.000 0.456 321 Q N -0.908 118.752 119.800 -0.232 0.000 2.197 321 Q HA -0.314 4.027 4.340 0.002 0.000 0.211 321 Q C 2.212 177.988 176.000 -0.373 0.000 0.993 321 Q CA 2.721 58.350 55.803 -0.290 0.000 0.883 321 Q CB -0.231 28.315 28.738 -0.319 0.000 0.916 321 Q HN 0.702 nan 8.270 nan 0.000 0.418 322 M N -0.443 118.841 119.600 -0.526 0.000 2.506 322 M HA -0.136 4.345 4.480 0.002 0.000 0.260 322 M C 1.468 177.641 176.300 -0.211 0.000 1.104 322 M CA 0.992 56.051 55.300 -0.400 0.000 1.112 322 M CB 0.308 32.629 32.600 -0.464 0.000 1.401 322 M HN 0.179 nan 8.290 nan 0.000 0.473 323 Q N 0.036 119.730 119.800 -0.176 0.000 2.061 323 Q HA -0.065 4.276 4.340 0.002 0.000 0.195 323 Q C 1.967 177.911 176.000 -0.094 0.000 0.967 323 Q CA 1.316 57.052 55.803 -0.111 0.000 0.829 323 Q CB -0.132 28.553 28.738 -0.087 0.000 0.900 323 Q HN 0.525 nan 8.270 nan 0.000 0.450 324 I N 0.482 120.994 120.570 -0.096 0.000 2.399 324 I HA -0.251 3.920 4.170 0.002 0.000 0.254 324 I C 2.046 178.117 176.117 -0.076 0.000 1.146 324 I CA 0.903 62.159 61.300 -0.073 0.000 1.412 324 I CB 0.109 38.068 38.000 -0.068 0.000 1.076 324 I HN 0.121 nan 8.210 nan 0.000 0.432 325 V N 0.699 120.553 119.914 -0.100 0.000 2.500 325 V HA -0.087 4.034 4.120 0.002 0.000 0.243 325 V C 2.451 178.489 176.094 -0.093 0.000 1.039 325 V CA 1.218 63.459 62.300 -0.098 0.000 1.053 325 V CB -0.405 31.353 31.823 -0.108 0.000 0.695 325 V HN 0.376 nan 8.190 nan 0.000 0.463 326 R N 1.141 121.587 120.500 -0.091 0.000 2.115 326 R HA -0.002 4.339 4.340 0.002 0.000 0.226 326 R C 1.563 177.823 176.300 -0.068 0.000 1.100 326 R CA 1.236 57.288 56.100 -0.079 0.000 0.980 326 R CB -0.401 29.856 30.300 -0.072 0.000 0.875 326 R HN 0.654 nan 8.270 nan 0.000 0.445 327 S N 0.627 116.290 115.700 -0.061 0.000 4.085 327 S HA 0.268 4.740 4.470 0.002 0.000 0.189 327 S C -0.041 174.532 174.600 -0.044 0.000 1.392 327 S CA -0.265 57.907 58.200 -0.046 0.000 0.972 327 S CB -0.095 63.082 63.200 -0.038 0.000 1.482 327 S HN 0.021 nan 8.310 nan 0.000 0.446 328 M N 1.295 120.859 119.600 -0.059 0.000 2.520 328 M HA 0.346 4.827 4.480 0.002 0.000 0.283 328 M C -0.765 175.484 176.300 -0.086 0.000 1.237 328 M CA -0.241 55.017 55.300 -0.069 0.000 0.885 328 M CB 2.403 34.945 32.600 -0.097 0.000 1.727 328 M HN 0.431 nan 8.290 nan 0.000 0.468 329 Q N 0.946 120.689 119.800 -0.095 0.000 2.311 329 Q HA 0.382 4.723 4.340 0.002 0.000 0.272 329 Q C 0.886 176.797 176.000 -0.149 0.000 1.012 329 Q CA 1.721 57.463 55.803 -0.101 0.000 0.891 329 Q CB 0.353 29.031 28.738 -0.100 0.000 1.201 329 Q HN 1.040 nan 8.270 nan 0.000 0.391 330 G N 3.601 112.323 108.800 -0.130 0.000 2.267 330 G HA2 -0.289 3.672 3.960 0.002 0.000 0.257 330 G HA3 -0.289 3.672 3.960 0.002 0.000 0.257 330 G C 0.550 175.335 174.900 -0.192 0.000 0.998 330 G CA 0.496 45.494 45.100 -0.170 0.000 0.620 330 G HN 0.634 nan 8.290 nan 0.000 0.529 331 M N 0.551 120.049 119.600 -0.171 0.000 2.756 331 M HA 0.286 4.767 4.480 0.002 0.000 0.320 331 M C 1.480 177.714 176.300 -0.109 0.000 1.245 331 M CA 0.002 55.206 55.300 -0.160 0.000 0.972 331 M CB 0.449 32.952 32.600 -0.163 0.000 1.327 331 M HN 0.193 nan 8.290 nan 0.000 0.505 332 E N 2.115 122.261 120.200 -0.090 0.000 2.031 332 E HA -0.140 4.211 4.350 0.002 0.000 0.193 332 E C 0.785 177.351 176.600 -0.056 0.000 0.994 332 E CA 1.332 57.693 56.400 -0.065 0.000 0.800 332 E CB -0.021 29.648 29.700 -0.052 0.000 0.752 332 E HN 0.622 nan 8.360 nan 0.000 0.447 333 N N 0.060 118.728 118.700 -0.054 0.000 2.458 333 N HA 0.394 5.135 4.740 0.002 0.000 0.274 333 N C -0.648 174.839 175.510 -0.040 0.000 1.242 333 N CA -0.297 52.730 53.050 -0.039 0.000 0.904 333 N CB 0.991 39.461 38.487 -0.027 0.000 1.206 333 N HN -0.023 nan 8.380 nan 0.000 0.510 334 A N 1.518 124.304 122.820 -0.057 0.000 2.462 334 A HA 0.185 4.506 4.320 0.002 0.000 0.243 334 A C 0.184 177.754 177.584 -0.024 0.000 1.076 334 A CA 0.111 52.116 52.037 -0.054 0.000 0.773 334 A CB 0.521 19.472 19.000 -0.082 0.000 1.010 334 A HN 0.327 nan 8.150 nan 0.000 0.493 335 K N 0.975 121.375 120.400 -0.001 0.000 2.267 335 K HA 0.586 4.907 4.320 0.002 0.000 0.246 335 K C -1.047 175.582 176.600 0.048 0.000 0.954 335 K CA -0.509 55.797 56.287 0.031 0.000 0.824 335 K CB 2.457 34.980 32.500 0.037 0.000 1.167 335 K HN 0.647 nan 8.250 nan 0.000 0.431 336 I N 3.058 123.685 120.570 0.094 0.000 2.460 336 I HA 0.059 4.230 4.170 0.002 0.000 0.277 336 I C 0.501 176.698 176.117 0.132 0.000 1.057 336 I CA -0.463 60.908 61.300 0.118 0.000 1.179 336 I CB 0.751 38.844 38.000 0.155 0.000 1.329 336 I HN 0.417 nan 8.210 nan 0.000 0.478 337 V N 6.650 126.618 119.914 0.091 0.000 2.295 337 V HA -0.088 4.033 4.120 0.002 0.000 0.246 337 V C 1.151 177.292 176.094 0.079 0.000 1.049 337 V CA 1.629 63.974 62.300 0.075 0.000 1.024 337 V CB -0.542 31.319 31.823 0.064 0.000 0.648 337 V HN 0.648 nan 8.190 nan 0.000 0.447 338 R N 0.050 120.610 120.500 0.101 0.000 2.445 338 R HA 0.425 4.766 4.340 0.002 0.000 0.308 338 R C -2.687 173.709 176.300 0.161 0.000 0.961 338 R CA -1.918 54.254 56.100 0.120 0.000 0.862 338 R CB 1.220 31.603 30.300 0.140 0.000 1.144 338 R HN 0.181 nan 8.270 nan 0.000 0.447 339 P HA 0.066 nan 4.420 nan 0.000 0.272 339 P C -0.023 177.442 177.300 0.275 0.000 1.230 339 P CA -0.246 63.015 63.100 0.268 0.000 0.788 339 P CB 0.710 32.523 31.700 0.189 0.000 0.949 340 G N 0.408 109.342 108.800 0.222 0.000 2.580 340 G HA2 0.580 4.541 3.960 0.002 0.000 0.278 340 G HA3 0.580 4.541 3.960 0.002 0.000 0.278 340 G C -1.268 173.770 174.900 0.230 0.000 1.212 340 G CA -0.232 44.923 45.100 0.092 0.000 0.939 340 G HN 0.634 nan 8.290 nan 0.000 0.513 341 Y N -3.859 116.479 120.300 0.063 0.000 2.852 341 Y HA 0.675 5.226 4.550 0.002 0.000 0.350 341 Y C -0.647 175.286 175.900 0.055 0.000 1.272 341 Y CA -1.411 56.724 58.100 0.058 0.000 1.086 341 Y CB 0.773 39.264 38.460 0.052 0.000 1.408 341 Y HN 1.085 nan 8.280 nan 0.000 0.447 342 A N 1.353 124.348 122.820 0.293 0.000 2.408 342 A HA 0.756 5.077 4.320 0.002 0.000 0.295 342 A C -1.603 176.141 177.584 0.267 0.000 1.040 342 A CA -0.683 51.472 52.037 0.197 0.000 0.707 342 A CB 0.569 19.630 19.000 0.101 0.000 1.235 342 A HN 0.994 nan 8.150 nan 0.000 0.418 343 I N -0.234 120.504 120.570 0.280 0.000 2.321 343 I HA 0.512 4.683 4.170 0.002 0.000 0.291 343 I C 0.041 176.289 176.117 0.218 0.000 0.998 343 I CA -0.263 61.180 61.300 0.238 0.000 1.227 343 I CB 1.266 39.416 38.000 0.251 0.000 1.368 343 I HN 0.549 nan 8.210 nan 0.000 0.466 344 E N 5.850 126.147 120.200 0.162 0.000 2.259 344 E HA 0.373 4.724 4.350 0.002 0.000 0.281 344 E C -1.422 175.304 176.600 0.210 0.000 1.027 344 E CA -0.492 55.981 56.400 0.122 0.000 0.838 344 E CB 1.167 30.910 29.700 0.071 0.000 1.066 344 E HN 0.708 nan 8.360 nan 0.000 0.401 345 Y N 0.174 120.547 120.300 0.122 0.000 2.492 345 Y HA 0.328 4.879 4.550 0.002 0.000 0.346 345 Y C -0.770 175.223 175.900 0.154 0.000 0.997 345 Y CA -1.563 56.625 58.100 0.148 0.000 1.025 345 Y CB 0.998 39.539 38.460 0.136 0.000 1.263 345 Y HN 0.308 nan 8.280 nan 0.000 0.454 346 D N 3.331 123.827 120.400 0.161 0.000 2.329 346 D HA 0.384 5.025 4.640 0.002 0.000 0.246 346 D C -0.415 175.888 176.300 0.005 0.000 1.111 346 D CA -0.076 53.874 54.000 -0.083 0.000 0.941 346 D CB 1.726 42.398 40.800 -0.215 0.000 1.169 346 D HN 0.640 nan 8.370 nan 0.000 0.441 347 F N -2.257 117.505 119.950 -0.313 0.000 2.894 347 F HA 0.741 5.269 4.527 0.002 0.000 0.332 347 F C -1.298 174.124 175.800 -0.631 0.000 1.192 347 F CA -1.512 56.254 58.000 -0.391 0.000 0.980 347 F CB 0.817 39.762 39.000 -0.091 0.000 1.448 347 F HN 0.086 nan 8.300 nan 0.000 0.514 348 F N 0.132 120.176 119.950 0.158 0.000 2.523 348 F HA 0.355 4.883 4.527 0.001 0.000 0.329 348 F C -0.010 175.817 175.800 0.046 0.000 1.061 348 F CA -0.978 56.973 58.000 -0.081 0.000 0.967 348 F CB 0.881 39.745 39.000 -0.227 0.000 1.218 348 F HN 0.451 nan 8.300 nan 0.000 0.480 349 D N 2.400 122.873 120.400 0.122 0.000 2.317 349 D HA 0.188 4.829 4.640 0.002 0.000 0.252 349 D C -1.945 174.395 176.300 0.066 0.000 1.174 349 D CA -1.716 52.351 54.000 0.112 0.000 0.866 349 D CB 1.798 42.621 40.800 0.038 0.000 1.127 349 D HN 0.157 nan 8.370 nan 0.000 0.467 350 P HA 0.001 nan 4.420 nan 0.000 0.231 350 P C 0.906 178.220 177.300 0.023 0.000 1.158 350 P CA 0.591 63.714 63.100 0.038 0.000 0.763 350 P CB 0.245 31.976 31.700 0.052 0.000 0.805 351 R N -0.225 120.292 120.500 0.028 0.000 2.189 351 R HA -0.035 4.306 4.340 0.002 0.000 0.223 351 R C 0.751 177.070 176.300 0.033 0.000 1.092 351 R CA 0.853 56.965 56.100 0.021 0.000 0.989 351 R CB -0.440 29.872 30.300 0.019 0.000 0.876 351 R HN 0.249 nan 8.270 nan 0.000 0.457 352 D N 0.743 121.175 120.400 0.052 0.000 2.413 352 D HA 0.065 4.706 4.640 0.002 0.000 0.237 352 D C -0.241 176.103 176.300 0.073 0.000 1.171 352 D CA 0.555 54.626 54.000 0.117 0.000 0.839 352 D CB 0.167 41.096 40.800 0.214 0.000 0.950 352 D HN 0.180 nan 8.370 nan 0.000 0.499 353 L N 0.371 121.614 121.223 0.033 0.000 2.385 353 L HA 0.328 4.669 4.340 0.002 0.000 0.273 353 L C 0.330 177.211 176.870 0.018 0.000 0.990 353 L CA -1.132 53.729 54.840 0.035 0.000 0.821 353 L CB 2.176 44.265 42.059 0.051 0.000 1.279 353 L HN -0.376 nan 8.230 nan 0.000 0.412 354 K N 3.276 123.678 120.400 0.003 0.000 2.397 354 K HA 0.056 4.378 4.320 0.002 0.000 0.265 354 K C -1.593 175.012 176.600 0.009 0.000 0.982 354 K CA -0.752 55.532 56.287 -0.006 0.000 0.931 354 K CB 0.484 32.970 32.500 -0.024 0.000 0.943 354 K HN 0.178 nan 8.250 nan 0.000 0.501 355 P HA -0.190 nan 4.420 nan 0.000 0.219 355 P C 0.175 177.473 177.300 -0.002 0.000 1.145 355 P CA 1.491 64.578 63.100 -0.022 0.000 0.813 355 P CB 0.058 31.731 31.700 -0.044 0.000 0.771 356 T N -5.441 109.147 114.554 0.056 0.000 3.105 356 T HA 0.225 4.576 4.350 0.002 0.000 0.253 356 T C 0.671 175.533 174.700 0.270 0.000 1.047 356 T CA -0.366 61.825 62.100 0.152 0.000 0.944 356 T CB -0.494 68.517 68.868 0.239 0.000 1.016 356 T HN -0.199 nan 8.240 nan 0.000 0.544 357 L N 0.039 121.368 121.223 0.177 0.000 4.496 357 L HA -0.138 4.203 4.340 0.002 0.000 0.419 357 L C 0.355 177.327 176.870 0.169 0.000 1.139 357 L CA 0.699 55.674 54.840 0.225 0.000 0.975 357 L CB -2.328 39.908 42.059 0.296 0.000 2.099 357 L HN 0.671 nan 8.230 nan 0.000 0.818 358 E N -0.035 120.075 120.200 -0.150 0.000 2.289 358 E HA 0.368 4.719 4.350 0.002 0.000 0.278 358 E C 0.471 176.965 176.600 -0.177 0.000 1.032 358 E CA 0.166 56.190 56.400 -0.627 0.000 0.854 358 E CB 0.999 30.140 29.700 -0.932 0.000 1.046 358 E HN 0.198 nan 8.360 nan 0.000 0.409 359 S N 3.364 119.042 115.700 -0.037 0.000 2.558 359 S HA -0.032 4.440 4.470 0.002 0.000 0.293 359 S C 0.859 175.500 174.600 0.067 0.000 1.292 359 S CA 0.145 58.420 58.200 0.126 0.000 1.063 359 S CB 0.534 63.898 63.200 0.273 0.000 0.831 359 S HN 0.576 nan 8.310 nan 0.000 0.499 360 K N 3.386 123.856 120.400 0.117 0.000 2.296 360 K HA -0.010 4.311 4.320 0.002 0.000 0.200 360 K C 1.086 177.659 176.600 -0.046 0.000 1.048 360 K CA 1.016 57.303 56.287 0.002 0.000 0.966 360 K CB -0.071 32.395 32.500 -0.058 0.000 0.754 360 K HN 0.606 nan 8.250 nan 0.000 0.466 361 F N 1.609 121.533 119.950 -0.042 0.000 2.061 361 F HA 0.058 4.586 4.527 0.002 0.000 0.283 361 F C 1.247 177.030 175.800 -0.027 0.000 1.218 361 F CA -0.037 57.943 58.000 -0.034 0.000 1.123 361 F CB -0.165 38.812 39.000 -0.038 0.000 1.004 361 F HN -0.221 nan 8.300 nan 0.000 0.493 362 I N 1.382 122.086 120.570 0.223 0.000 2.396 362 I HA 0.075 4.246 4.170 0.002 0.000 0.289 362 I C 0.051 176.190 176.117 0.037 0.000 1.056 362 I CA -0.161 61.200 61.300 0.102 0.000 1.365 362 I CB 0.553 38.601 38.000 0.081 0.000 1.407 362 I HN 0.282 nan 8.210 nan 0.000 0.509 363 Q N 4.715 124.525 119.800 0.016 0.000 2.332 363 Q HA 0.322 4.663 4.340 0.002 0.000 0.263 363 Q C 1.101 177.098 176.000 -0.006 0.000 0.979 363 Q CA 0.931 56.725 55.803 -0.015 0.000 0.885 363 Q CB 0.845 29.584 28.738 0.003 0.000 1.218 363 Q HN 0.959 nan 8.270 nan 0.000 0.405 364 G N 2.977 111.757 108.800 -0.034 0.000 2.258 364 G HA2 -0.269 3.692 3.960 0.002 0.000 0.233 364 G HA3 -0.269 3.692 3.960 0.002 0.000 0.233 364 G C -0.096 174.866 174.900 0.103 0.000 1.006 364 G CA -0.009 45.137 45.100 0.076 0.000 0.620 364 G HN 0.573 nan 8.290 nan 0.000 0.511 365 L N 0.940 122.136 121.223 -0.044 0.000 2.349 365 L HA 0.688 5.029 4.340 0.002 0.000 0.275 365 L C -0.332 176.436 176.870 -0.168 0.000 1.115 365 L CA -0.594 54.215 54.840 -0.052 0.000 0.820 365 L CB 0.438 42.440 42.059 -0.096 0.000 1.135 365 L HN 0.138 nan 8.230 nan 0.000 0.445 366 F N 3.347 123.235 119.950 -0.102 0.000 2.551 366 F HA 0.448 4.976 4.527 0.002 0.000 0.316 366 F C -0.442 175.292 175.800 -0.111 0.000 1.089 366 F CA -0.515 57.482 58.000 -0.005 0.000 0.915 366 F CB 1.716 40.728 39.000 0.019 0.000 1.186 366 F HN 0.177 nan 8.300 nan 0.000 0.456 367 F N 1.911 121.986 119.950 0.208 0.000 2.480 367 F HA 0.794 5.322 4.527 0.002 0.000 0.329 367 F C -0.016 175.886 175.800 0.169 0.000 1.091 367 F CA -0.717 57.384 58.000 0.168 0.000 0.972 367 F CB 1.987 41.074 39.000 0.144 0.000 1.150 367 F HN 0.498 nan 8.300 nan 0.000 0.467 368 A N 2.133 125.144 122.820 0.319 0.000 2.540 368 A HA 0.755 5.076 4.320 0.002 0.000 0.297 368 A C -0.084 177.622 177.584 0.203 0.000 1.056 368 A CA 0.000 52.175 52.037 0.229 0.000 0.700 368 A CB 1.043 20.143 19.000 0.168 0.000 1.280 368 A HN 1.544 nan 8.150 nan 0.000 0.398 369 G N 0.886 109.791 108.800 0.175 0.000 2.662 369 G HA2 -0.209 3.752 3.960 0.002 0.000 0.236 369 G HA3 -0.209 3.752 3.960 0.002 0.000 0.236 369 G C 0.846 175.834 174.900 0.147 0.000 1.212 369 G CA 0.511 45.702 45.100 0.152 0.000 0.968 369 G HN 0.866 nan 8.290 nan 0.000 0.576 370 Q N 0.331 120.225 119.800 0.157 0.000 2.084 370 Q HA -0.103 4.238 4.340 0.002 0.000 0.202 370 Q C 2.688 178.856 176.000 0.280 0.000 0.978 370 Q CA 1.969 57.889 55.803 0.194 0.000 0.844 370 Q CB -0.242 28.534 28.738 0.063 0.000 0.898 370 Q HN 0.793 nan 8.270 nan 0.000 0.426 371 I N -1.377 119.386 120.570 0.321 0.000 2.953 371 I HA -0.194 3.977 4.170 0.002 0.000 0.271 371 I C 0.591 176.934 176.117 0.377 0.000 1.286 371 I CA 1.400 62.965 61.300 0.442 0.000 1.449 371 I CB -1.241 37.157 38.000 0.663 0.000 1.086 371 I HN 0.162 nan 8.210 nan 0.000 0.483 372 N N 0.901 119.728 118.700 0.211 0.000 2.205 372 N HA 0.260 5.001 4.740 0.002 0.000 0.201 372 N C 1.289 176.683 175.510 -0.192 0.000 1.128 372 N CA 0.462 53.577 53.050 0.108 0.000 0.867 372 N CB 0.625 39.178 38.487 0.110 0.000 0.996 372 N HN 0.572 nan 8.380 nan 0.000 0.503 373 G N 1.499 109.952 108.800 -0.578 0.000 2.179 373 G HA2 -0.323 3.638 3.960 0.002 0.000 0.260 373 G HA3 -0.323 3.638 3.960 0.002 0.000 0.260 373 G C 0.396 174.935 174.900 -0.602 0.000 0.977 373 G CA 0.735 44.977 45.100 -1.430 0.000 0.641 373 G HN 0.427 nan 8.290 nan 0.000 0.533 374 T N 0.518 114.917 114.554 -0.258 0.000 2.884 374 T HA 0.558 4.909 4.350 0.002 0.000 0.298 374 T C 0.486 175.152 174.700 -0.058 0.000 0.998 374 T CA 0.624 62.649 62.100 -0.126 0.000 1.124 374 T CB 1.498 70.343 68.868 -0.038 0.000 0.931 374 T HN 0.937 nan 8.240 nan 0.000 0.531 375 T N -0.031 114.488 114.554 -0.058 0.000 2.929 375 T HA 0.755 5.106 4.350 0.002 0.000 0.284 375 T C 0.441 175.105 174.700 -0.060 0.000 1.014 375 T CA -0.454 61.635 62.100 -0.019 0.000 1.051 375 T CB 1.274 70.129 68.868 -0.022 0.000 1.028 375 T HN 1.701 nan 8.240 nan 0.000 0.485 376 G N 0.750 109.491 108.800 -0.098 0.000 3.239 376 G HA2 0.038 4.000 3.960 0.002 0.000 0.666 376 G HA3 0.038 4.000 3.960 0.002 0.000 0.666 376 G C -0.248 174.580 174.900 -0.119 0.000 1.313 376 G CA -0.803 44.173 45.100 -0.207 0.000 1.001 376 G HN 0.591 nan 8.290 nan 0.000 0.573 377 Y N 1.393 121.541 120.300 -0.254 0.000 2.053 377 Y HA -0.110 4.441 4.550 0.002 0.000 0.277 377 Y C 2.687 178.482 175.900 -0.175 0.000 1.159 377 Y CA 2.098 59.932 58.100 -0.444 0.000 1.125 377 Y CB -0.778 37.258 38.460 -0.705 0.000 0.969 377 Y HN 0.714 nan 8.280 nan 0.000 0.492 378 E N 0.111 120.332 120.200 0.036 0.000 2.160 378 E HA -0.187 4.164 4.350 0.002 0.000 0.195 378 E C 1.949 178.609 176.600 0.100 0.000 0.991 378 E CA 1.573 58.008 56.400 0.059 0.000 0.810 378 E CB -0.220 29.499 29.700 0.033 0.000 0.742 378 E HN 0.485 nan 8.360 nan 0.000 0.466 379 E N 0.014 120.268 120.200 0.089 0.000 2.076 379 E HA 0.033 4.384 4.350 0.002 0.000 0.190 379 E C 1.878 178.546 176.600 0.113 0.000 0.979 379 E CA 1.003 57.471 56.400 0.115 0.000 0.807 379 E CB -0.331 29.419 29.700 0.084 0.000 0.761 379 E HN 0.269 nan 8.360 nan 0.000 0.454 380 A N 1.435 124.320 122.820 0.107 0.000 1.841 380 A HA -0.172 4.149 4.320 0.002 0.000 0.216 380 A C 2.431 180.101 177.584 0.144 0.000 1.199 380 A CA 2.309 54.427 52.037 0.134 0.000 0.621 380 A CB -1.301 17.799 19.000 0.166 0.000 0.835 380 A HN 0.285 nan 8.150 nan 0.000 0.445 381 A N -0.255 122.658 122.820 0.155 0.000 1.909 381 A HA -0.095 4.226 4.320 0.002 0.000 0.221 381 A C 2.555 180.215 177.584 0.127 0.000 1.223 381 A CA 3.267 55.393 52.037 0.148 0.000 0.658 381 A CB -1.319 17.769 19.000 0.146 0.000 0.831 381 A HN 1.344 nan 8.150 nan 0.000 0.462 382 A N -1.264 121.636 122.820 0.132 0.000 1.877 382 A HA -0.214 4.107 4.320 0.002 0.000 0.216 382 A C 2.127 179.786 177.584 0.125 0.000 1.186 382 A CA 1.818 53.938 52.037 0.137 0.000 0.620 382 A CB -0.663 18.434 19.000 0.161 0.000 0.822 382 A HN 0.680 nan 8.150 nan 0.000 0.443 383 Q N -0.486 119.388 119.800 0.123 0.000 2.061 383 Q HA -0.101 4.241 4.340 0.002 0.000 0.204 383 Q C 2.226 178.294 176.000 0.112 0.000 0.984 383 Q CA 1.332 57.207 55.803 0.120 0.000 0.846 383 Q CB -0.649 28.166 28.738 0.129 0.000 0.902 383 Q HN 0.679 nan 8.270 nan 0.000 0.421 384 G N 1.867 110.731 108.800 0.106 0.000 2.721 384 G HA2 -0.346 3.615 3.960 0.002 0.000 0.218 384 G HA3 -0.346 3.615 3.960 0.002 0.000 0.218 384 G C 1.274 176.208 174.900 0.057 0.000 1.265 384 G CA 1.007 46.154 45.100 0.079 0.000 0.796 384 G HN 0.271 nan 8.290 nan 0.000 0.620 385 L N 0.323 121.586 121.223 0.067 0.000 2.077 385 L HA -0.170 4.171 4.340 0.002 0.000 0.231 385 L C 2.724 179.636 176.870 0.069 0.000 1.100 385 L CA 2.079 56.958 54.840 0.066 0.000 0.819 385 L CB -1.089 41.027 42.059 0.096 0.000 0.913 385 L HN 0.265 nan 8.230 nan 0.000 0.446 386 L N -0.672 120.607 121.223 0.093 0.000 1.994 386 L HA -0.183 4.158 4.340 0.002 0.000 0.208 386 L C 2.684 179.589 176.870 0.059 0.000 1.071 386 L CA 2.289 57.191 54.840 0.104 0.000 0.745 386 L CB -1.258 40.857 42.059 0.093 0.000 0.892 386 L HN 0.424 nan 8.230 nan 0.000 0.431 387 A N -0.297 122.554 122.820 0.052 0.000 1.883 387 A HA -0.171 4.150 4.320 0.002 0.000 0.217 387 A C 2.353 179.788 177.584 -0.247 0.000 1.186 387 A CA 1.844 53.867 52.037 -0.025 0.000 0.624 387 A CB -1.348 17.700 19.000 0.081 0.000 0.822 387 A HN 0.524 nan 8.150 nan 0.000 0.444 388 G N 0.645 109.370 108.800 -0.126 0.000 2.514 388 G HA2 -0.235 3.726 3.960 0.002 0.000 0.217 388 G HA3 -0.235 3.726 3.960 0.002 0.000 0.217 388 G C 1.543 176.345 174.900 -0.163 0.000 1.198 388 G CA 1.518 46.533 45.100 -0.142 0.000 0.780 388 G HN 1.053 nan 8.290 nan 0.000 0.565 389 L N -0.720 120.456 121.223 -0.079 0.000 2.191 389 L HA 0.130 4.471 4.340 0.002 0.000 0.212 389 L C 1.978 178.808 176.870 -0.067 0.000 1.103 389 L CA 2.272 57.086 54.840 -0.042 0.000 0.769 389 L CB -0.597 41.487 42.059 0.042 0.000 0.908 389 L HN 0.223 nan 8.230 nan 0.000 0.438 390 N N 0.492 119.107 118.700 -0.142 0.000 2.336 390 N HA 0.093 4.834 4.740 0.002 0.000 0.177 390 N C 2.020 177.296 175.510 -0.390 0.000 1.018 390 N CA 0.768 53.734 53.050 -0.140 0.000 0.878 390 N CB -0.253 38.256 38.487 0.037 0.000 0.997 390 N HN 0.453 nan 8.380 nan 0.000 0.433 391 A N 1.411 123.693 122.820 -0.897 0.000 1.940 391 A HA -0.091 4.230 4.320 0.002 0.000 0.219 391 A C 2.309 179.740 177.584 -0.256 0.000 1.176 391 A CA 1.793 53.364 52.037 -0.777 0.000 0.631 391 A CB -0.867 17.706 19.000 -0.711 0.000 0.814 391 A HN 0.346 nan 8.150 nan 0.000 0.446 392 A N -0.300 122.401 122.820 -0.198 0.000 1.858 392 A HA -0.178 4.143 4.320 0.002 0.000 0.216 392 A C 2.245 179.804 177.584 -0.042 0.000 1.190 392 A CA 1.569 53.552 52.037 -0.089 0.000 0.617 392 A CB -0.511 18.444 19.000 -0.075 0.000 0.827 392 A HN 0.517 nan 8.150 nan 0.000 0.443 393 R N -0.885 119.597 120.500 -0.031 0.000 2.193 393 R HA 0.013 4.354 4.340 0.002 0.000 0.229 393 R C 2.070 178.399 176.300 0.049 0.000 1.110 393 R CA 0.918 57.028 56.100 0.016 0.000 0.988 393 R CB -0.400 29.926 30.300 0.043 0.000 0.871 393 R HN 0.580 nan 8.270 nan 0.000 0.458 394 L N 0.675 121.939 121.223 0.068 0.000 2.056 394 L HA -0.174 4.167 4.340 0.002 0.000 0.207 394 L C 2.331 179.251 176.870 0.083 0.000 1.078 394 L CA 1.692 56.604 54.840 0.120 0.000 0.749 394 L CB -0.274 41.919 42.059 0.223 0.000 0.901 394 L HN 0.274 nan 8.230 nan 0.000 0.433 395 S N -0.236 115.498 115.700 0.058 0.000 2.383 395 S HA -0.095 4.376 4.470 0.002 0.000 0.227 395 S C 1.893 176.516 174.600 0.039 0.000 1.026 395 S CA 0.719 58.949 58.200 0.051 0.000 0.981 395 S CB -0.498 62.727 63.200 0.042 0.000 0.818 395 S HN 0.405 nan 8.310 nan 0.000 0.472 396 A N 1.341 124.178 122.820 0.029 0.000 2.239 396 A HA 0.115 4.436 4.320 0.002 0.000 0.209 396 A C 0.589 178.190 177.584 0.027 0.000 1.171 396 A CA 0.553 52.603 52.037 0.021 0.000 0.768 396 A CB -0.777 18.228 19.000 0.009 0.000 0.790 396 A HN 0.476 nan 8.150 nan 0.000 0.478 397 D N -0.585 119.839 120.400 0.039 0.000 2.751 397 D HA -0.148 4.493 4.640 0.002 0.000 0.233 397 D C -0.001 176.323 176.300 0.040 0.000 1.149 397 D CA 1.417 55.442 54.000 0.043 0.000 0.682 397 D CB -0.883 39.939 40.800 0.036 0.000 1.068 397 D HN 0.669 nan 8.370 nan 0.000 0.429 398 K N 0.381 120.807 120.400 0.044 0.000 2.245 398 K HA 0.490 4.811 4.320 0.002 0.000 0.234 398 K C 0.596 177.237 176.600 0.067 0.000 1.021 398 K CA -0.830 55.484 56.287 0.044 0.000 0.898 398 K CB 1.320 33.838 32.500 0.030 0.000 1.163 398 K HN 0.060 nan 8.250 nan 0.000 0.459 399 E N 0.173 120.417 120.200 0.073 0.000 2.191 399 E HA 0.343 4.695 4.350 0.002 0.000 0.278 399 E C 0.058 176.737 176.600 0.132 0.000 0.972 399 E CA -1.078 55.382 56.400 0.099 0.000 0.804 399 E CB 1.073 30.825 29.700 0.086 0.000 1.110 399 E HN 0.644 nan 8.360 nan 0.000 0.394 400 G N 1.807 110.707 108.800 0.168 0.000 2.664 400 G HA2 0.101 4.062 3.960 0.002 0.000 0.242 400 G HA3 0.101 4.062 3.960 0.002 0.000 0.242 400 G C -1.429 173.628 174.900 0.262 0.000 1.225 400 G CA -0.455 44.773 45.100 0.213 0.000 0.849 400 G HN 0.634 nan 8.290 nan 0.000 0.581 401 W N 0.406 121.744 121.300 0.063 0.000 2.689 401 W HA 0.665 5.327 4.660 0.002 0.000 0.340 401 W C -0.533 176.023 176.519 0.060 0.000 1.060 401 W CA -0.995 56.380 57.345 0.050 0.000 1.218 401 W CB 1.927 31.405 29.460 0.030 0.000 1.410 401 W HN 0.738 nan 8.180 nan 0.000 0.528 402 A N 6.895 129.238 122.820 -0.795 0.000 2.446 402 A HA 0.544 4.865 4.320 0.002 0.000 0.282 402 A C -2.684 174.217 177.584 -1.138 0.000 1.102 402 A CA -1.396 50.151 52.037 -0.815 0.000 0.737 402 A CB 0.863 19.666 19.000 -0.327 0.000 1.212 402 A HN 0.396 nan 8.150 nan 0.000 0.434 403 P HA 0.332 nan 4.420 nan 0.000 0.268 403 P C 0.152 177.269 177.300 -0.307 0.000 1.204 403 P CA 0.278 62.932 63.100 -0.742 0.000 0.768 403 P CB 1.034 32.451 31.700 -0.471 0.000 0.842 404 A N 4.062 126.807 122.820 -0.125 0.000 2.322 404 A HA 0.182 4.504 4.320 0.002 0.000 0.269 404 A C 1.635 179.191 177.584 -0.046 0.000 1.094 404 A CA -0.496 51.499 52.037 -0.071 0.000 0.807 404 A CB 0.130 19.125 19.000 -0.008 0.000 1.047 404 A HN 0.504 nan 8.150 nan 0.000 0.487 405 R N 0.750 121.199 120.500 -0.086 0.000 2.153 405 R HA -0.205 4.136 4.340 0.002 0.000 0.252 405 R C 2.241 178.490 176.300 -0.085 0.000 1.158 405 R CA 2.045 58.073 56.100 -0.120 0.000 0.975 405 R CB -0.366 29.820 30.300 -0.190 0.000 0.871 405 R HN 0.909 nan 8.270 nan 0.000 0.450 406 S N -0.113 115.566 115.700 -0.036 0.000 2.481 406 S HA -0.125 4.346 4.470 0.002 0.000 0.231 406 S C 1.763 176.490 174.600 0.212 0.000 0.996 406 S CA 0.688 58.949 58.200 0.102 0.000 0.942 406 S CB 0.072 63.408 63.200 0.226 0.000 0.768 406 S HN 0.351 nan 8.310 nan 0.000 0.520 407 Q N 0.911 120.807 119.800 0.161 0.000 2.089 407 Q HA 0.477 4.818 4.340 0.002 0.000 0.195 407 Q C 0.774 176.907 176.000 0.222 0.000 0.963 407 Q CA 1.068 56.988 55.803 0.196 0.000 0.834 407 Q CB 0.154 29.014 28.738 0.204 0.000 0.906 407 Q HN 0.722 nan 8.270 nan 0.000 0.452 408 A N -2.047 120.902 122.820 0.215 0.000 2.588 408 A HA 0.365 4.687 4.320 0.002 0.000 0.290 408 A C -0.970 176.833 177.584 0.365 0.000 1.136 408 A CA -0.693 51.518 52.037 0.291 0.000 0.681 408 A CB -0.131 19.023 19.000 0.256 0.000 1.282 408 A HN 0.114 nan 8.150 nan 0.000 0.421 409 Y N 0.018 120.460 120.300 0.236 0.000 2.114 409 Y HA -0.131 4.420 4.550 0.002 0.000 0.284 409 Y C 2.323 178.367 175.900 0.240 0.000 1.143 409 Y CA 2.271 60.565 58.100 0.324 0.000 1.135 409 Y CB -0.373 38.326 38.460 0.399 0.000 0.980 409 Y HN 0.623 nan 8.280 nan 0.000 0.499 410 L N 0.325 121.765 121.223 0.362 0.000 2.151 410 L HA -0.202 4.139 4.340 0.002 0.000 0.215 410 L C 2.221 179.134 176.870 0.071 0.000 1.084 410 L CA 2.134 57.095 54.840 0.201 0.000 0.764 410 L CB -1.268 40.894 42.059 0.173 0.000 0.891 410 L HN 0.237 nan 8.230 nan 0.000 0.435 411 G N -0.739 108.097 108.800 0.059 0.000 2.587 411 G HA2 -0.312 3.649 3.960 0.002 0.000 0.217 411 G HA3 -0.312 3.649 3.960 0.002 0.000 0.217 411 G C 1.644 176.479 174.900 -0.109 0.000 1.240 411 G CA 2.095 47.167 45.100 -0.046 0.000 0.794 411 G HN 0.536 nan 8.290 nan 0.000 0.580 412 V N 0.418 120.234 119.914 -0.163 0.000 2.295 412 V HA -0.106 4.015 4.120 0.002 0.000 0.246 412 V C 2.658 178.556 176.094 -0.327 0.000 1.049 412 V CA 2.156 64.247 62.300 -0.348 0.000 1.024 412 V CB -0.674 30.756 31.823 -0.655 0.000 0.648 412 V HN 0.285 nan 8.190 nan 0.000 0.447 413 L N 1.359 122.453 121.223 -0.216 0.000 2.034 413 L HA -0.174 4.167 4.340 0.002 0.000 0.217 413 L C 2.561 179.392 176.870 -0.065 0.000 1.077 413 L CA 3.238 58.037 54.840 -0.069 0.000 0.769 413 L CB -0.807 41.349 42.059 0.162 0.000 0.890 413 L HN 0.528 nan 8.230 nan 0.000 0.435 414 V N -3.436 116.445 119.914 -0.055 0.000 2.346 414 V HA -0.124 3.997 4.120 0.002 0.000 0.244 414 V C 2.340 178.389 176.094 -0.075 0.000 1.037 414 V CA 1.593 63.866 62.300 -0.045 0.000 1.029 414 V CB -1.155 30.646 31.823 -0.037 0.000 0.663 414 V HN 0.514 nan 8.190 nan 0.000 0.454 415 D N 1.039 121.371 120.400 -0.113 0.000 2.103 415 D HA -0.251 4.390 4.640 0.002 0.000 0.190 415 D C 1.755 177.985 176.300 -0.117 0.000 0.997 415 D CA 2.271 56.200 54.000 -0.117 0.000 0.833 415 D CB -0.515 40.199 40.800 -0.144 0.000 0.961 415 D HN 0.513 nan 8.370 nan 0.000 0.447 416 D N -0.504 119.798 120.400 -0.163 0.000 2.321 416 D HA -0.208 4.433 4.640 0.002 0.000 0.194 416 D C 2.208 178.451 176.300 -0.095 0.000 1.013 416 D CA 1.124 55.029 54.000 -0.158 0.000 0.863 416 D CB -0.727 39.938 40.800 -0.225 0.000 1.011 416 D HN 0.193 nan 8.370 nan 0.000 0.457 417 L N -0.020 121.160 121.223 -0.073 0.000 2.089 417 L HA -0.256 4.086 4.340 0.002 0.000 0.213 417 L C 2.669 179.528 176.870 -0.018 0.000 1.079 417 L CA 1.361 56.182 54.840 -0.031 0.000 0.758 417 L CB -0.343 41.712 42.059 -0.007 0.000 0.891 417 L HN 0.250 nan 8.230 nan 0.000 0.433 418 C N -1.444 117.840 119.300 -0.027 0.000 2.473 418 C HA -0.163 4.298 4.460 0.002 0.000 0.279 418 C C 2.837 177.813 174.990 -0.024 0.000 1.250 418 C CA 1.429 60.435 59.018 -0.019 0.000 1.713 418 C CB -1.124 26.599 27.740 -0.028 0.000 2.066 418 C HN 0.732 nan 8.230 nan 0.000 0.474 419 T N -0.131 114.398 114.554 -0.041 0.000 2.673 419 T HA -0.031 4.320 4.350 0.002 0.000 0.248 419 T C 1.768 176.446 174.700 -0.036 0.000 1.080 419 T CA 0.706 62.781 62.100 -0.041 0.000 1.203 419 T CB -0.808 68.027 68.868 -0.055 0.000 0.893 419 T HN 0.180 nan 8.240 nan 0.000 0.404 420 L N 1.793 122.986 121.223 -0.049 0.000 2.137 420 L HA -0.076 4.265 4.340 0.002 0.000 0.213 420 L C 2.401 179.258 176.870 -0.021 0.000 1.085 420 L CA 2.236 57.050 54.840 -0.043 0.000 0.760 420 L CB -2.051 39.970 42.059 -0.064 0.000 0.893 420 L HN 0.982 nan 8.230 nan 0.000 0.434 421 G N -0.436 108.356 108.800 -0.013 0.000 2.155 421 G HA2 -0.295 3.666 3.960 0.002 0.000 0.257 421 G HA3 -0.295 3.666 3.960 0.002 0.000 0.257 421 G C 0.431 175.342 174.900 0.019 0.000 0.983 421 G CA 0.825 45.935 45.100 0.016 0.000 0.676 421 G HN 0.553 nan 8.290 nan 0.000 0.528 422 T N -1.684 112.860 114.554 -0.017 0.000 2.786 422 T HA 0.491 4.842 4.350 0.002 0.000 0.316 422 T C -1.334 173.330 174.700 -0.060 0.000 1.503 422 T CA -0.279 61.800 62.100 -0.034 0.000 1.019 422 T CB 1.444 70.297 68.868 -0.025 0.000 1.415 422 T HN 0.215 nan 8.240 nan 0.000 0.496 423 K N 3.038 123.400 120.400 -0.064 0.000 2.349 423 K HA 0.194 4.515 4.320 0.002 0.000 0.289 423 K C 0.460 177.019 176.600 -0.068 0.000 1.064 423 K CA -0.183 56.068 56.287 -0.060 0.000 0.947 423 K CB 0.466 32.930 32.500 -0.059 0.000 1.007 423 K HN 0.793 nan 8.250 nan 0.000 0.478 424 E N 5.771 125.930 120.200 -0.068 0.000 2.373 424 E HA 0.286 4.638 4.350 0.002 0.000 0.263 424 E C -2.191 174.420 176.600 0.018 0.000 1.073 424 E CA -1.862 54.510 56.400 -0.047 0.000 0.894 424 E CB 0.410 30.059 29.700 -0.085 0.000 1.008 424 E HN 0.261 nan 8.360 nan 0.000 0.420 425 P HA -0.125 nan 4.420 nan 0.000 0.270 425 P C -0.182 177.103 177.300 -0.024 0.000 1.227 425 P CA 0.077 63.117 63.100 -0.101 0.000 0.788 425 P CB 0.327 32.001 31.700 -0.043 0.000 0.926 426 Y N 0.804 121.053 120.300 -0.084 0.000 2.242 426 Y HA -0.180 4.372 4.550 0.002 0.000 0.291 426 Y C 3.023 178.884 175.900 -0.065 0.000 1.137 426 Y CA 2.254 60.170 58.100 -0.305 0.000 1.181 426 Y CB -1.809 36.417 38.460 -0.390 0.000 0.989 426 Y HN 0.326 nan 8.280 nan 0.000 0.527 427 R N 0.405 120.983 120.500 0.130 0.000 2.276 427 R HA -0.162 4.179 4.340 0.002 0.000 0.243 427 R C 1.730 178.096 176.300 0.110 0.000 1.161 427 R CA 2.095 58.254 56.100 0.099 0.000 1.007 427 R CB -1.362 28.977 30.300 0.065 0.000 0.867 427 R HN 0.507 nan 8.270 nan 0.000 0.472 428 M N -1.803 117.889 119.600 0.153 0.000 2.308 428 M HA 0.270 4.751 4.480 0.002 0.000 0.269 428 M C 1.014 177.379 176.300 0.108 0.000 1.040 428 M CA -0.033 55.331 55.300 0.107 0.000 1.024 428 M CB 0.544 33.176 32.600 0.053 0.000 1.465 428 M HN 0.247 nan 8.290 nan 0.000 0.517 429 F N 1.610 121.476 119.950 -0.141 0.000 2.154 429 F HA -0.133 4.396 4.527 0.002 0.000 0.301 429 F C 1.813 177.477 175.800 -0.226 0.000 1.087 429 F CA 1.137 58.964 58.000 -0.288 0.000 1.274 429 F CB -0.512 38.122 39.000 -0.610 0.000 1.009 429 F HN 0.068 nan 8.300 nan 0.000 0.485 430 T N -2.744 111.857 114.554 0.078 0.000 2.791 430 T HA 0.393 4.744 4.350 0.002 0.000 0.288 430 T C 0.970 175.716 174.700 0.077 0.000 0.999 430 T CA -0.101 62.050 62.100 0.084 0.000 0.952 430 T CB 1.571 70.564 68.868 0.208 0.000 0.938 430 T HN 0.122 nan 8.240 nan 0.000 0.444 431 S N 4.424 120.143 115.700 0.032 0.000 2.345 431 S HA 0.010 4.481 4.470 0.002 0.000 0.219 431 S C 1.434 176.093 174.600 0.099 0.000 1.031 431 S CA -0.021 58.205 58.200 0.043 0.000 0.984 431 S CB -0.213 62.986 63.200 -0.002 0.000 0.874 431 S HN 0.677 nan 8.310 nan 0.000 0.451 432 R N 1.468 122.072 120.500 0.173 0.000 1.364 432 R HA 0.725 5.066 4.340 0.002 0.000 0.097 432 R C 1.842 178.232 176.300 0.149 0.000 0.962 432 R CA 0.467 56.664 56.100 0.161 0.000 1.960 432 R CB -1.009 29.402 30.300 0.185 0.000 1.053 432 R HN 0.468 nan 8.270 nan 0.000 0.714 433 A N -0.049 122.849 122.820 0.131 0.000 2.048 433 A HA 0.146 4.467 4.320 0.002 0.000 0.197 433 A C 1.756 179.398 177.584 0.096 0.000 1.486 433 A CA 0.028 52.129 52.037 0.107 0.000 1.029 433 A CB 0.092 19.139 19.000 0.079 0.000 1.101 433 A HN 0.434 nan 8.150 nan 0.000 0.470 434 E N -0.135 120.095 120.200 0.050 0.000 2.051 434 E HA -0.152 4.199 4.350 0.002 0.000 0.192 434 E C 1.334 177.932 176.600 -0.003 0.000 0.991 434 E CA 1.684 58.068 56.400 -0.027 0.000 0.799 434 E CB -0.462 29.145 29.700 -0.156 0.000 0.748 434 E HN 0.686 nan 8.360 nan 0.000 0.449 435 Y N 0.441 120.795 120.300 0.091 0.000 2.403 435 Y HA -0.101 4.450 4.550 0.002 0.000 0.291 435 Y C 2.297 178.287 175.900 0.150 0.000 1.143 435 Y CA 1.046 59.214 58.100 0.113 0.000 1.257 435 Y CB -0.093 38.427 38.460 0.100 0.000 0.984 435 Y HN -0.056 nan 8.280 nan 0.000 0.550 436 R N -0.205 120.460 120.500 0.275 0.000 2.090 436 R HA -0.108 4.234 4.340 0.002 0.000 0.228 436 R C 2.194 178.608 176.300 0.190 0.000 1.110 436 R CA 0.797 57.040 56.100 0.237 0.000 0.973 436 R CB -0.312 30.094 30.300 0.176 0.000 0.869 436 R HN 0.324 nan 8.270 nan 0.000 0.440 437 L N 0.088 121.391 121.223 0.134 0.000 2.095 437 L HA -0.055 4.286 4.340 0.002 0.000 0.204 437 L C 1.599 178.521 176.870 0.087 0.000 1.080 437 L CA 1.365 56.252 54.840 0.080 0.000 0.759 437 L CB -0.184 41.912 42.059 0.062 0.000 0.914 437 L HN 0.274 nan 8.230 nan 0.000 0.439 438 M N -0.481 119.183 119.600 0.108 0.000 2.630 438 M HA -0.047 4.434 4.480 0.002 0.000 0.254 438 M C 1.003 177.410 176.300 0.177 0.000 1.092 438 M CA 0.845 56.212 55.300 0.113 0.000 1.087 438 M CB -0.571 32.071 32.600 0.071 0.000 1.453 438 M HN 0.169 nan 8.290 nan 0.000 0.509 439 L N -0.362 121.001 121.223 0.234 0.000 3.122 439 L HA 0.215 4.556 4.340 0.002 0.000 0.274 439 L C 0.905 177.919 176.870 0.241 0.000 1.222 439 L CA -0.087 54.926 54.840 0.289 0.000 1.028 439 L CB -0.214 42.114 42.059 0.447 0.000 1.386 439 L HN 0.213 nan 8.230 nan 0.000 0.578 440 R N -0.062 120.522 120.500 0.140 0.000 2.971 440 R HA -0.011 4.331 4.340 0.002 0.000 0.278 440 R C 1.055 177.211 176.300 -0.241 0.000 1.022 440 R CA 0.604 56.709 56.100 0.008 0.000 1.187 440 R CB 0.155 30.433 30.300 -0.037 0.000 1.126 440 R HN 0.393 nan 8.270 nan 0.000 0.510 441 E N 0.552 120.414 120.200 -0.564 0.000 2.076 441 E HA -0.150 4.201 4.350 0.002 0.000 0.190 441 E C -0.048 176.455 176.600 -0.163 0.000 0.979 441 E CA 0.837 56.920 56.400 -0.528 0.000 0.807 441 E CB -0.216 29.048 29.700 -0.726 0.000 0.761 441 E HN 0.784 nan 8.360 nan 0.000 0.454 442 D N 1.982 122.289 120.400 -0.154 0.000 2.885 442 D HA -0.042 4.599 4.640 0.002 0.000 0.234 442 D C 0.054 176.411 176.300 0.095 0.000 1.129 442 D CA -0.021 53.944 54.000 -0.059 0.000 0.991 442 D CB -0.384 40.338 40.800 -0.130 0.000 1.137 442 D HN 0.342 nan 8.370 nan 0.000 0.459 443 N N -1.050 117.777 118.700 0.212 0.000 2.174 443 N HA -0.024 4.717 4.740 0.002 0.000 0.225 443 N C 0.618 176.227 175.510 0.166 0.000 1.409 443 N CA 0.084 53.251 53.050 0.195 0.000 0.934 443 N CB -0.544 38.004 38.487 0.101 0.000 1.228 443 N HN 0.086 nan 8.380 nan 0.000 0.552 444 A N 1.579 124.552 122.820 0.256 0.000 1.855 444 A HA -0.164 4.157 4.320 0.002 0.000 0.215 444 A C 1.894 179.400 177.584 -0.131 0.000 1.191 444 A CA 2.138 54.245 52.037 0.117 0.000 0.613 444 A CB -0.721 18.429 19.000 0.250 0.000 0.829 444 A HN 0.532 nan 8.150 nan 0.000 0.442 445 D N 1.123 121.166 120.400 -0.596 0.000 2.154 445 D HA -0.263 4.378 4.640 0.002 0.000 0.190 445 D C 1.717 177.918 176.300 -0.166 0.000 1.003 445 D CA 1.943 55.553 54.000 -0.650 0.000 0.849 445 D CB -1.121 39.097 40.800 -0.970 0.000 0.942 445 D HN 0.458 nan 8.370 nan 0.000 0.446 446 L N 0.020 121.300 121.223 0.095 0.000 2.261 446 L HA -0.085 4.256 4.340 0.002 0.000 0.216 446 L C 2.646 179.618 176.870 0.170 0.000 1.114 446 L CA 1.710 56.705 54.840 0.257 0.000 0.777 446 L CB -0.603 41.549 42.059 0.155 0.000 0.910 446 L HN 0.297 nan 8.230 nan 0.000 0.440 447 R N -1.929 118.623 120.500 0.086 0.000 2.316 447 R HA 0.102 4.444 4.340 0.002 0.000 0.201 447 R C 1.645 177.986 176.300 0.068 0.000 0.888 447 R CA -0.111 56.047 56.100 0.097 0.000 1.041 447 R CB 0.073 30.447 30.300 0.123 0.000 1.115 447 R HN 0.113 nan 8.270 nan 0.000 0.559 448 L N 0.863 122.084 121.223 -0.003 0.000 2.519 448 L HA 0.259 4.600 4.340 0.002 0.000 0.194 448 L C 1.945 178.724 176.870 -0.153 0.000 1.072 448 L CA 1.534 56.365 54.840 -0.015 0.000 0.845 448 L CB -0.282 41.801 42.059 0.041 0.000 1.138 448 L HN 0.011 nan 8.230 nan 0.000 0.487 449 T N -0.126 114.240 114.554 -0.313 0.000 2.620 449 T HA -0.332 4.019 4.350 0.002 0.000 0.267 449 T C 1.703 176.178 174.700 -0.375 0.000 1.044 449 T CA 2.252 64.077 62.100 -0.458 0.000 1.161 449 T CB -0.132 68.208 68.868 -0.880 0.000 0.862 449 T HN 0.404 nan 8.240 nan 0.000 0.438 450 E N 0.218 120.207 120.200 -0.351 0.000 2.077 450 E HA -0.141 4.210 4.350 0.002 0.000 0.193 450 E C 2.204 178.709 176.600 -0.160 0.000 0.989 450 E CA 1.166 57.519 56.400 -0.078 0.000 0.800 450 E CB -0.114 29.679 29.700 0.155 0.000 0.746 450 E HN 0.452 nan 8.360 nan 0.000 0.452 451 I N 0.690 121.148 120.570 -0.187 0.000 2.335 451 I HA -0.149 4.022 4.170 0.002 0.000 0.251 451 I C 2.505 178.381 176.117 -0.402 0.000 1.129 451 I CA 1.419 62.539 61.300 -0.300 0.000 1.402 451 I CB -1.801 35.985 38.000 -0.356 0.000 1.069 451 I HN 0.191 nan 8.210 nan 0.000 0.424 452 G N 1.344 109.946 108.800 -0.330 0.000 2.394 452 G HA2 -0.263 3.698 3.960 0.002 0.000 0.214 452 G HA3 -0.263 3.698 3.960 0.002 0.000 0.214 452 G C 1.813 176.552 174.900 -0.270 0.000 1.176 452 G CA 0.848 45.774 45.100 -0.289 0.000 0.786 452 G HN 0.278 nan 8.290 nan 0.000 0.533 453 R N 1.123 121.451 120.500 -0.286 0.000 2.115 453 R HA -0.155 4.186 4.340 0.002 0.000 0.239 453 R C 2.243 178.299 176.300 -0.406 0.000 1.133 453 R CA 2.349 58.213 56.100 -0.394 0.000 0.935 453 R CB -1.180 28.736 30.300 -0.640 0.000 0.853 453 R HN 0.430 nan 8.270 nan 0.000 0.433 454 E N -0.255 119.718 120.200 -0.378 0.000 2.284 454 E HA -0.179 4.172 4.350 0.002 0.000 0.200 454 E C 0.026 176.470 176.600 -0.259 0.000 1.008 454 E CA 1.563 57.782 56.400 -0.303 0.000 0.829 454 E CB -0.037 29.514 29.700 -0.248 0.000 0.744 454 E HN 0.476 nan 8.360 nan 0.000 0.491 455 L N -3.896 117.167 121.223 -0.268 0.000 3.193 455 L HA 0.585 4.926 4.340 0.002 0.000 0.305 455 L C 0.633 177.400 176.870 -0.172 0.000 1.299 455 L CA 0.183 54.895 54.840 -0.213 0.000 0.904 455 L CB 0.799 42.720 42.059 -0.231 0.000 1.331 455 L HN 0.031 nan 8.230 nan 0.000 0.588 456 G N 0.141 108.835 108.800 -0.178 0.000 2.527 456 G HA2 -0.252 3.709 3.960 0.002 0.000 0.218 456 G HA3 -0.252 3.709 3.960 0.002 0.000 0.218 456 G C 0.207 175.036 174.900 -0.118 0.000 1.177 456 G CA -0.011 45.009 45.100 -0.135 0.000 0.695 456 G HN 0.350 nan 8.290 nan 0.000 0.517 457 L N 1.524 122.679 121.223 -0.112 0.000 2.525 457 L HA 0.469 4.810 4.340 0.002 0.000 0.278 457 L C 0.795 177.603 176.870 -0.102 0.000 1.218 457 L CA 0.294 55.082 54.840 -0.086 0.000 0.878 457 L CB 0.733 42.748 42.059 -0.074 0.000 1.127 457 L HN 0.817 nan 8.230 nan 0.000 0.492 458 V N 1.269 121.144 119.914 -0.064 0.000 3.161 458 V HA -0.176 3.945 4.120 0.002 0.000 0.456 458 V C -0.120 175.953 176.094 -0.034 0.000 0.682 458 V CA 0.251 62.526 62.300 -0.043 0.000 1.992 458 V CB -1.176 30.607 31.823 -0.067 0.000 2.464 458 V HN 1.089 nan 8.190 nan 0.000 0.494 459 D N 3.475 123.884 120.400 0.015 0.000 2.342 459 D HA 0.343 4.984 4.640 0.002 0.000 0.284 459 D C 0.822 177.179 176.300 0.095 0.000 1.198 459 D CA 0.728 54.744 54.000 0.026 0.000 1.061 459 D CB 0.422 41.240 40.800 0.031 0.000 1.130 459 D HN 0.401 nan 8.370 nan 0.000 0.541 460 D N -1.304 119.159 120.400 0.105 0.000 2.259 460 D HA -0.030 4.611 4.640 0.002 0.000 0.216 460 D C 1.836 178.238 176.300 0.171 0.000 0.961 460 D CA 0.598 54.705 54.000 0.177 0.000 0.878 460 D CB -0.232 40.641 40.800 0.121 0.000 1.009 460 D HN 0.480 nan 8.370 nan 0.000 0.490 461 E N 0.822 121.086 120.200 0.107 0.000 2.049 461 E HA -0.237 4.114 4.350 0.002 0.000 0.198 461 E C 2.134 178.793 176.600 0.099 0.000 1.007 461 E CA 0.948 57.398 56.400 0.083 0.000 0.809 461 E CB -0.011 29.724 29.700 0.059 0.000 0.749 461 E HN 0.146 nan 8.360 nan 0.000 0.450 462 R N 0.430 121.000 120.500 0.117 0.000 2.066 462 R HA -0.143 4.198 4.340 0.002 0.000 0.232 462 R C 2.271 178.687 176.300 0.194 0.000 1.131 462 R CA 1.348 57.526 56.100 0.131 0.000 0.955 462 R CB -0.399 29.965 30.300 0.106 0.000 0.851 462 R HN 0.412 nan 8.270 nan 0.000 0.432 463 W N 1.069 122.389 121.300 0.033 0.000 2.421 463 W HA -0.168 4.493 4.660 0.002 0.000 0.270 463 W C 1.339 177.922 176.519 0.107 0.000 1.233 463 W CA 1.301 58.685 57.345 0.066 0.000 1.226 463 W CB 0.030 29.505 29.460 0.024 0.000 1.121 463 W HN 0.271 nan 8.180 nan 0.000 0.579 464 A N 0.524 123.357 122.820 0.022 0.000 1.935 464 A HA -0.073 4.248 4.320 0.002 0.000 0.214 464 A C 2.068 179.595 177.584 -0.094 0.000 1.178 464 A CA 0.625 52.605 52.037 -0.095 0.000 0.640 464 A CB -0.780 18.219 19.000 -0.001 0.000 0.825 464 A HN 0.099 nan 8.150 nan 0.000 0.447 465 R N -1.269 119.228 120.500 -0.006 0.000 2.096 465 R HA -0.125 4.216 4.340 0.002 0.000 0.235 465 R C 1.836 178.138 176.300 0.004 0.000 1.127 465 R CA 1.463 57.569 56.100 0.009 0.000 0.968 465 R CB -0.718 29.619 30.300 0.061 0.000 0.861 465 R HN 0.553 nan 8.270 nan 0.000 0.440 466 F N 1.744 121.595 119.950 -0.166 0.000 2.051 466 F HA -0.203 4.325 4.527 0.002 0.000 0.296 466 F C 1.711 177.346 175.800 -0.274 0.000 1.122 466 F CA 2.078 59.953 58.000 -0.209 0.000 1.201 466 F CB -0.722 38.139 39.000 -0.231 0.000 0.978 466 F HN 0.059 nan 8.300 nan 0.000 0.472 467 N N -0.047 118.355 118.700 -0.497 0.000 2.223 467 N HA -0.184 4.558 4.740 0.002 0.000 0.185 467 N C 1.866 177.156 175.510 -0.368 0.000 1.016 467 N CA 1.097 53.806 53.050 -0.569 0.000 0.863 467 N CB -0.300 37.828 38.487 -0.598 0.000 0.983 467 N HN 0.462 nan 8.380 nan 0.000 0.429 468 E N 1.341 121.385 120.200 -0.259 0.000 2.033 468 E HA -0.309 4.042 4.350 0.002 0.000 0.199 468 E C 1.831 178.324 176.600 -0.179 0.000 1.011 468 E CA 1.485 57.782 56.400 -0.172 0.000 0.815 468 E CB 0.023 29.657 29.700 -0.110 0.000 0.755 468 E HN 0.418 nan 8.360 nan 0.000 0.451 469 K N 0.385 120.667 120.400 -0.196 0.000 2.228 469 K HA -0.067 4.254 4.320 0.002 0.000 0.202 469 K C 2.267 178.723 176.600 -0.240 0.000 1.051 469 K CA 0.664 56.847 56.287 -0.173 0.000 0.960 469 K CB -0.223 32.211 32.500 -0.110 0.000 0.743 469 K HN 0.191 nan 8.250 nan 0.000 0.458 470 L N 1.077 122.062 121.223 -0.398 0.000 2.191 470 L HA -0.158 4.183 4.340 0.002 0.000 0.212 470 L C 1.901 178.617 176.870 -0.258 0.000 1.103 470 L CA 1.247 55.834 54.840 -0.422 0.000 0.769 470 L CB -0.082 41.572 42.059 -0.674 0.000 0.908 470 L HN 0.274 nan 8.230 nan 0.000 0.438 471 E N 0.088 120.155 120.200 -0.221 0.000 2.028 471 E HA -0.152 4.199 4.350 0.002 0.000 0.190 471 E C 1.815 178.352 176.600 -0.105 0.000 0.984 471 E CA 1.371 57.685 56.400 -0.144 0.000 0.800 471 E CB -0.325 29.299 29.700 -0.128 0.000 0.758 471 E HN 0.536 nan 8.360 nan 0.000 0.448 472 N N 0.513 119.151 118.700 -0.103 0.000 2.149 472 N HA -0.133 4.608 4.740 0.002 0.000 0.188 472 N C 2.013 177.484 175.510 -0.065 0.000 1.019 472 N CA 1.510 54.517 53.050 -0.071 0.000 0.857 472 N CB -0.399 38.045 38.487 -0.071 0.000 0.997 472 N HN 0.317 nan 8.380 nan 0.000 0.426 473 I N -0.340 120.177 120.570 -0.088 0.000 2.133 473 I HA -0.138 4.033 4.170 0.002 0.000 0.238 473 I C 2.035 178.120 176.117 -0.053 0.000 1.074 473 I CA 1.422 62.678 61.300 -0.074 0.000 1.342 473 I CB -0.479 37.469 38.000 -0.087 0.000 1.053 473 I HN -0.100 nan 8.210 nan 0.000 0.404 474 E N 0.891 121.051 120.200 -0.066 0.000 2.086 474 E HA -0.300 4.051 4.350 0.002 0.000 0.205 474 E C 2.365 178.949 176.600 -0.026 0.000 1.027 474 E CA 2.284 58.656 56.400 -0.047 0.000 0.830 474 E CB -0.237 29.428 29.700 -0.058 0.000 0.751 474 E HN 0.423 nan 8.360 nan 0.000 0.456 475 R N 0.132 120.616 120.500 -0.027 0.000 2.075 475 R HA -0.209 4.132 4.340 0.002 0.000 0.230 475 R C 2.313 178.619 176.300 0.009 0.000 1.140 475 R CA 1.876 57.971 56.100 -0.008 0.000 0.928 475 R CB -0.269 30.024 30.300 -0.011 0.000 0.834 475 R HN 0.049 nan 8.270 nan 0.000 0.429 476 E N 0.331 120.541 120.200 0.017 0.000 2.049 476 E HA -0.231 4.120 4.350 0.002 0.000 0.198 476 E C 2.031 178.654 176.600 0.038 0.000 1.007 476 E CA 1.645 58.075 56.400 0.050 0.000 0.809 476 E CB -0.051 29.702 29.700 0.088 0.000 0.749 476 E HN 0.165 nan 8.360 nan 0.000 0.450 477 R N 0.070 120.581 120.500 0.019 0.000 2.103 477 R HA -0.216 4.125 4.340 0.002 0.000 0.234 477 R C 2.399 178.697 176.300 -0.003 0.000 1.132 477 R CA 1.945 58.047 56.100 0.004 0.000 0.925 477 R CB -1.343 28.954 30.300 -0.006 0.000 0.842 477 R HN 0.352 nan 8.270 nan 0.000 0.430 478 Q N 0.947 120.750 119.800 0.005 0.000 2.133 478 Q HA -0.188 4.153 4.340 0.002 0.000 0.208 478 Q C 2.078 178.095 176.000 0.028 0.000 0.991 478 Q CA 1.842 57.655 55.803 0.016 0.000 0.867 478 Q CB -0.343 28.405 28.738 0.017 0.000 0.911 478 Q HN 0.152 nan 8.270 nan 0.000 0.417 479 R N -0.277 120.240 120.500 0.029 0.000 2.081 479 R HA -0.074 4.267 4.340 0.002 0.000 0.235 479 R C 2.209 178.532 176.300 0.038 0.000 1.131 479 R CA 1.538 57.665 56.100 0.045 0.000 0.960 479 R CB -0.400 29.928 30.300 0.047 0.000 0.856 479 R HN 0.459 nan 8.270 nan 0.000 0.436 480 L N 0.320 121.538 121.223 -0.008 0.000 2.217 480 L HA -0.060 4.281 4.340 0.002 0.000 0.211 480 L C 2.584 179.374 176.870 -0.133 0.000 1.107 480 L CA 0.961 55.751 54.840 -0.084 0.000 0.783 480 L CB -0.247 41.733 42.059 -0.130 0.000 0.919 480 L HN 0.114 nan 8.230 nan 0.000 0.442 481 K N -0.392 119.956 120.400 -0.087 0.000 2.155 481 K HA -0.079 4.242 4.320 0.002 0.000 0.203 481 K C 2.042 178.610 176.600 -0.054 0.000 1.052 481 K CA 1.238 57.459 56.287 -0.109 0.000 0.948 481 K CB 0.192 32.678 32.500 -0.025 0.000 0.728 481 K HN 0.151 nan 8.250 nan 0.000 0.448 482 S N -0.680 115.061 115.700 0.068 0.000 2.456 482 S HA -0.039 4.432 4.470 0.002 0.000 0.224 482 S C 0.864 175.665 174.600 0.336 0.000 1.035 482 S CA 0.381 58.726 58.200 0.241 0.000 0.940 482 S CB 0.565 63.867 63.200 0.171 0.000 0.799 482 S HN 0.265 nan 8.310 nan 0.000 0.508 483 T N 2.839 117.513 114.554 0.200 0.000 2.992 483 T HA 0.270 4.621 4.350 0.002 0.000 0.299 483 T C -1.116 173.783 174.700 0.330 0.000 1.027 483 T CA -0.522 61.744 62.100 0.276 0.000 1.001 483 T CB -0.478 68.544 68.868 0.258 0.000 1.005 483 T HN 0.181 nan 8.240 nan 0.000 0.599 484 W N 3.542 124.920 121.300 0.131 0.000 2.376 484 W HA 0.581 5.242 4.660 0.002 0.000 0.322 484 W C -0.401 176.146 176.519 0.048 0.000 1.160 484 W CA -0.682 56.735 57.345 0.120 0.000 1.218 484 W CB 0.957 30.454 29.460 0.062 0.000 1.205 484 W HN 0.202 nan 8.180 nan 0.000 0.559 485 V N 2.765 122.848 119.914 0.282 0.000 2.483 485 V HA 0.345 4.466 4.120 0.002 0.000 0.297 485 V C -0.015 176.164 176.094 0.142 0.000 1.027 485 V CA -0.771 61.594 62.300 0.108 0.000 0.855 485 V CB 1.731 33.496 31.823 -0.096 0.000 0.995 485 V HN 0.541 nan 8.190 nan 0.000 0.424 486 T N 6.724 121.336 114.554 0.098 0.000 2.918 486 T HA 0.439 4.791 4.350 0.002 0.000 0.283 486 T C -2.606 172.126 174.700 0.053 0.000 1.001 486 T CA -1.850 60.304 62.100 0.090 0.000 1.041 486 T CB 1.454 70.357 68.868 0.058 0.000 1.028 486 T HN 0.454 nan 8.240 nan 0.000 0.511 487 P HA -0.037 nan 4.420 nan 0.000 0.249 487 P C 0.090 177.399 177.300 0.015 0.000 1.140 487 P CA 0.616 63.734 63.100 0.029 0.000 0.803 487 P CB -0.821 30.895 31.700 0.027 0.000 0.745 488 S N 1.697 117.402 115.700 0.008 0.000 3.552 488 S HA -0.213 4.258 4.470 0.002 0.000 0.351 488 S C 0.740 175.337 174.600 -0.005 0.000 0.819 488 S CA 0.099 58.297 58.200 -0.003 0.000 1.345 488 S CB -1.549 61.648 63.200 -0.005 0.000 1.425 488 S HN 0.695 nan 8.310 nan 0.000 0.546 489 A N 3.349 126.162 122.820 -0.012 0.000 2.503 489 A HA 0.487 4.808 4.320 0.002 0.000 0.263 489 A C 1.302 178.869 177.584 -0.029 0.000 1.360 489 A CA 0.576 52.600 52.037 -0.021 0.000 0.969 489 A CB -1.093 17.889 19.000 -0.032 0.000 1.000 489 A HN 2.030 nan 8.150 nan 0.000 0.530 490 E N -2.941 117.246 120.200 -0.022 0.000 2.808 490 E HA -0.329 4.022 4.350 0.002 0.000 0.263 490 E C 0.657 177.239 176.600 -0.030 0.000 1.151 490 E CA 1.848 58.234 56.400 -0.023 0.000 0.750 490 E CB -2.306 27.382 29.700 -0.020 0.000 1.357 490 E HN 0.833 nan 8.360 nan 0.000 0.439 491 A N 0.115 122.910 122.820 -0.042 0.000 2.095 491 A HA 0.590 4.911 4.320 0.002 0.000 0.212 491 A C 2.384 179.944 177.584 -0.041 0.000 1.162 491 A CA 0.744 52.748 52.037 -0.055 0.000 0.753 491 A CB -0.212 18.727 19.000 -0.101 0.000 0.840 491 A HN 0.803 nan 8.150 nan 0.000 0.468 492 A N 0.121 122.925 122.820 -0.028 0.000 2.178 492 A HA 0.227 4.549 4.320 0.002 0.000 0.218 492 A C 2.223 179.797 177.584 -0.016 0.000 1.157 492 A CA 1.571 53.600 52.037 -0.012 0.000 0.689 492 A CB -0.685 18.313 19.000 -0.002 0.000 0.787 492 A HN 0.862 nan 8.150 nan 0.000 0.465 493 A N 1.263 124.070 122.820 -0.022 0.000 1.834 493 A HA -0.218 4.103 4.320 0.002 0.000 0.216 493 A C 1.926 179.486 177.584 -0.041 0.000 1.203 493 A CA 1.724 53.744 52.037 -0.027 0.000 0.621 493 A CB -0.719 18.267 19.000 -0.023 0.000 0.841 493 A HN 0.761 nan 8.150 nan 0.000 0.446 494 E N -0.307 119.875 120.200 -0.030 0.000 2.482 494 E HA 0.028 4.380 4.350 0.002 0.000 0.196 494 E C 1.422 177.998 176.600 -0.041 0.000 1.047 494 E CA 0.850 57.228 56.400 -0.035 0.000 0.869 494 E CB -0.253 29.462 29.700 0.026 0.000 0.836 494 E HN 0.279 nan 8.360 nan 0.000 0.520 495 V N 2.273 122.183 119.914 -0.007 0.000 2.244 495 V HA -0.264 3.858 4.120 0.002 0.000 0.244 495 V C 1.995 178.075 176.094 -0.024 0.000 1.042 495 V CA 1.979 64.304 62.300 0.041 0.000 1.006 495 V CB -0.676 31.181 31.823 0.058 0.000 0.641 495 V HN 0.436 nan 8.190 nan 0.000 0.446 496 N N 0.359 119.027 118.700 -0.053 0.000 2.585 496 N HA -0.091 4.650 4.740 0.002 0.000 0.188 496 N C 1.723 177.144 175.510 -0.150 0.000 1.102 496 N CA 1.048 54.058 53.050 -0.068 0.000 0.920 496 N CB -0.044 38.417 38.487 -0.043 0.000 0.963 496 N HN 0.518 nan 8.380 nan 0.000 0.447 497 A N 0.655 123.285 122.820 -0.316 0.000 2.015 497 A HA -0.138 4.184 4.320 0.002 0.000 0.219 497 A C 0.989 178.243 177.584 -0.550 0.000 1.163 497 A CA 1.238 52.970 52.037 -0.509 0.000 0.646 497 A CB -0.303 18.259 19.000 -0.730 0.000 0.806 497 A HN 0.450 nan 8.150 nan 0.000 0.448 498 H N -3.236 115.841 119.070 0.010 0.000 3.233 498 H HA 0.446 5.003 4.556 0.002 0.000 0.263 498 H C -0.396 174.935 175.328 0.006 0.000 1.168 498 H CA -0.642 55.410 56.048 0.008 0.000 1.159 498 H CB 0.336 30.103 29.762 0.009 0.000 1.593 498 H HN 0.309 nan 8.280 nan 0.000 0.580 499 L N 1.182 122.434 121.223 0.049 0.000 2.307 499 L HA 0.250 4.592 4.340 0.002 0.000 0.282 499 L C 1.425 178.303 176.870 0.012 0.000 1.051 499 L CA 0.124 54.985 54.840 0.035 0.000 0.804 499 L CB 1.529 43.606 42.059 0.030 0.000 1.197 499 L HN 0.092 nan 8.230 nan 0.000 0.431 500 T N 3.126 117.688 114.554 0.013 0.000 2.542 500 T HA 0.067 4.418 4.350 0.002 0.000 0.257 500 T C 0.669 175.370 174.700 0.001 0.000 1.111 500 T CA 0.988 63.092 62.100 0.006 0.000 1.203 500 T CB -0.050 68.821 68.868 0.005 0.000 0.866 500 T HN 0.740 nan 8.240 nan 0.000 0.399 501 A N 2.300 125.121 122.820 0.001 0.000 2.388 501 A HA 0.546 4.867 4.320 0.002 0.000 0.257 501 A C -2.273 175.312 177.584 0.002 0.000 1.095 501 A CA -1.285 50.752 52.037 0.001 0.000 0.791 501 A CB -0.220 18.780 19.000 0.001 0.000 1.029 501 A HN 0.436 nan 8.150 nan 0.000 0.489 502 P HA -0.005 nan 4.420 nan 0.000 0.267 502 P C 1.032 178.337 177.300 0.009 0.000 1.201 502 P CA -0.338 62.763 63.100 0.001 0.000 0.775 502 P CB 0.379 32.079 31.700 0.000 0.000 0.854 503 L N 2.867 124.097 121.223 0.013 0.000 1.932 503 L HA -0.082 4.259 4.340 0.002 0.000 0.217 503 L C 0.987 177.874 176.870 0.028 0.000 1.077 503 L CA 1.785 56.640 54.840 0.024 0.000 0.765 503 L CB -1.439 40.639 42.059 0.032 0.000 0.888 503 L HN 0.370 nan 8.230 nan 0.000 0.433 504 S N -0.243 115.474 115.700 0.029 0.000 2.558 504 S HA 0.073 4.544 4.470 0.002 0.000 0.293 504 S C 1.063 175.689 174.600 0.043 0.000 1.292 504 S CA 0.674 58.897 58.200 0.039 0.000 1.063 504 S CB -0.050 63.169 63.200 0.031 0.000 0.831 504 S HN 0.566 nan 8.310 nan 0.000 0.499 505 R N 1.990 122.527 120.500 0.062 0.000 2.119 505 R HA 0.018 4.359 4.340 0.002 0.000 0.121 505 R C -1.061 175.309 176.300 0.118 0.000 0.669 505 R CA 0.433 56.577 56.100 0.073 0.000 1.447 505 R CB -0.237 30.102 30.300 0.065 0.000 1.293 505 R HN 0.883 nan 8.270 nan 0.000 0.471 506 E N 0.746 121.027 120.200 0.135 0.000 5.234 506 E HA -0.158 4.193 4.350 0.002 0.000 0.170 506 E C -1.961 174.863 176.600 0.375 0.000 1.556 506 E CA 0.854 57.382 56.400 0.214 0.000 1.185 506 E CB -0.942 28.856 29.700 0.164 0.000 1.023 506 E HN 0.403 nan 8.360 nan 0.000 0.337 507 A N 3.200 126.192 122.820 0.287 0.000 2.413 507 A HA 0.751 5.073 4.320 0.002 0.000 0.307 507 A C 0.030 177.546 177.584 -0.114 0.000 1.087 507 A CA 0.044 52.130 52.037 0.082 0.000 0.750 507 A CB 1.530 20.527 19.000 -0.005 0.000 1.296 507 A HN 0.752 nan 8.150 nan 0.000 0.423 508 S N 0.629 115.861 115.700 -0.781 0.000 2.617 508 S HA 0.469 4.940 4.470 0.002 0.000 0.269 508 S C 1.353 175.714 174.600 -0.398 0.000 1.292 508 S CA 0.017 57.718 58.200 -0.831 0.000 1.010 508 S CB 1.094 63.394 63.200 -1.499 0.000 0.944 508 S HN 1.684 nan 8.310 nan 0.000 0.536 509 G N 0.735 109.339 108.800 -0.326 0.000 2.505 509 G HA2 -0.338 3.623 3.960 0.002 0.000 0.220 509 G HA3 -0.338 3.623 3.960 0.002 0.000 0.220 509 G C 1.158 175.771 174.900 -0.479 0.000 1.145 509 G CA 1.260 45.930 45.100 -0.716 0.000 0.761 509 G HN 0.954 nan 8.290 nan 0.000 0.571 510 E N 0.502 120.491 120.200 -0.352 0.000 2.070 510 E HA -0.201 4.150 4.350 0.002 0.000 0.197 510 E C 1.884 178.347 176.600 -0.228 0.000 1.004 510 E CA 1.636 57.887 56.400 -0.249 0.000 0.805 510 E CB -0.166 29.409 29.700 -0.209 0.000 0.744 510 E HN 0.358 nan 8.360 nan 0.000 0.451 511 D N 0.303 120.543 120.400 -0.266 0.000 2.219 511 D HA -0.132 4.509 4.640 0.002 0.000 0.205 511 D C 1.837 178.047 176.300 -0.150 0.000 0.970 511 D CA 1.220 55.099 54.000 -0.201 0.000 0.851 511 D CB -0.098 40.563 40.800 -0.232 0.000 0.943 511 D HN 0.465 nan 8.370 nan 0.000 0.488 512 L N -2.104 119.018 121.223 -0.168 0.000 2.728 512 L HA 0.294 4.635 4.340 0.002 0.000 0.238 512 L C 1.551 178.335 176.870 -0.143 0.000 1.143 512 L CA -0.110 54.658 54.840 -0.121 0.000 0.937 512 L CB 0.191 42.210 42.059 -0.067 0.000 1.225 512 L HN -0.108 nan 8.230 nan 0.000 0.507 513 L N 0.703 121.817 121.223 -0.181 0.000 2.162 513 L HA 0.073 4.414 4.340 0.002 0.000 0.205 513 L C 2.385 179.193 176.870 -0.102 0.000 1.086 513 L CA 1.158 55.910 54.840 -0.147 0.000 0.778 513 L CB -0.396 41.569 42.059 -0.156 0.000 0.928 513 L HN 0.450 nan 8.230 nan 0.000 0.446 514 R N 0.123 120.557 120.500 -0.109 0.000 2.341 514 R HA -0.064 4.277 4.340 0.002 0.000 0.213 514 R C 0.317 176.559 176.300 -0.097 0.000 1.082 514 R CA 0.164 56.202 56.100 -0.104 0.000 1.017 514 R CB -0.116 30.124 30.300 -0.099 0.000 0.860 514 R HN 0.341 nan 8.270 nan 0.000 0.473 515 R N 0.644 121.096 120.500 -0.080 0.000 2.267 515 R HA 0.062 4.403 4.340 0.002 0.000 0.319 515 R C -1.723 174.544 176.300 -0.056 0.000 1.067 515 R CA -1.687 54.376 56.100 -0.061 0.000 0.936 515 R CB 0.713 30.987 30.300 -0.043 0.000 1.006 515 R HN -0.120 nan 8.270 nan 0.000 0.452 516 P HA -0.226 nan 4.420 nan 0.000 0.218 516 P C 0.011 177.300 177.300 -0.019 0.000 1.147 516 P CA 1.383 64.456 63.100 -0.044 0.000 0.827 516 P CB 0.341 32.018 31.700 -0.039 0.000 0.778 517 E N -2.340 117.853 120.200 -0.011 0.000 2.299 517 E HA 0.022 4.373 4.350 0.002 0.000 0.193 517 E C 0.735 177.339 176.600 0.007 0.000 0.998 517 E CA 0.424 56.827 56.400 0.005 0.000 0.851 517 E CB -0.465 29.244 29.700 0.015 0.000 0.795 517 E HN 0.180 nan 8.360 nan 0.000 0.492 518 M N 1.540 121.135 119.600 -0.008 0.000 2.157 518 M HA 0.248 4.729 4.480 0.002 0.000 0.354 518 M C -0.607 175.685 176.300 -0.013 0.000 1.170 518 M CA -0.661 54.629 55.300 -0.016 0.000 1.060 518 M CB 1.356 33.931 32.600 -0.040 0.000 1.615 518 M HN -0.032 nan 8.290 nan 0.000 0.460 519 T N 3.007 117.557 114.554 -0.007 0.000 2.829 519 T HA 0.293 4.644 4.350 0.002 0.000 0.280 519 T C 0.836 175.556 174.700 0.034 0.000 0.999 519 T CA -0.521 61.595 62.100 0.026 0.000 0.983 519 T CB 0.506 69.393 68.868 0.033 0.000 0.968 519 T HN 0.686 nan 8.240 nan 0.000 0.446 520 Y N 3.054 123.320 120.300 -0.057 0.000 2.096 520 Y HA -0.265 4.287 4.550 0.002 0.000 0.278 520 Y C 2.426 178.292 175.900 -0.056 0.000 1.192 520 Y CA 2.587 60.645 58.100 -0.069 0.000 1.143 520 Y CB 0.067 38.493 38.460 -0.057 0.000 0.963 520 Y HN 0.892 nan 8.280 nan 0.000 0.505 521 E N 0.722 121.068 120.200 0.243 0.000 2.058 521 E HA -0.253 4.098 4.350 0.002 0.000 0.194 521 E C 1.933 178.530 176.600 -0.005 0.000 0.997 521 E CA 1.878 58.359 56.400 0.134 0.000 0.801 521 E CB -0.197 29.561 29.700 0.098 0.000 0.746 521 E HN 0.584 nan 8.360 nan 0.000 0.450 522 K N 0.229 120.608 120.400 -0.035 0.000 2.007 522 K HA -0.105 4.216 4.320 0.002 0.000 0.206 522 K C 2.391 178.929 176.600 -0.105 0.000 1.047 522 K CA 0.949 57.181 56.287 -0.091 0.000 0.937 522 K CB -0.362 32.080 32.500 -0.097 0.000 0.718 522 K HN 0.070 nan 8.250 nan 0.000 0.438 523 L N 1.291 122.447 121.223 -0.112 0.000 2.034 523 L HA -0.280 4.061 4.340 0.002 0.000 0.217 523 L C 2.269 179.080 176.870 -0.097 0.000 1.077 523 L CA 2.184 56.945 54.840 -0.133 0.000 0.769 523 L CB -1.018 40.872 42.059 -0.281 0.000 0.890 523 L HN 0.157 nan 8.230 nan 0.000 0.435 524 T N -2.596 111.840 114.554 -0.196 0.000 3.055 524 T HA -0.140 4.211 4.350 0.002 0.000 0.265 524 T C 1.807 176.485 174.700 -0.037 0.000 1.111 524 T CA 1.244 63.256 62.100 -0.147 0.000 1.118 524 T CB -0.416 68.270 68.868 -0.303 0.000 0.909 524 T HN 0.608 nan 8.240 nan 0.000 0.501 525 T N 1.165 115.693 114.554 -0.043 0.000 3.007 525 T HA 0.085 4.436 4.350 0.002 0.000 0.270 525 T C 0.376 175.080 174.700 0.007 0.000 1.107 525 T CA 0.203 62.287 62.100 -0.027 0.000 1.118 525 T CB -0.426 68.406 68.868 -0.061 0.000 0.889 525 T HN 0.121 nan 8.240 nan 0.000 0.506 526 L N 2.627 123.879 121.223 0.048 0.000 2.380 526 L HA 0.243 4.584 4.340 0.002 0.000 0.273 526 L C 2.054 178.954 176.870 0.050 0.000 1.138 526 L CA 0.410 55.306 54.840 0.093 0.000 0.832 526 L CB 1.002 43.172 42.059 0.185 0.000 1.124 526 L HN 0.253 nan 8.230 nan 0.000 0.454 527 T N 0.412 114.965 114.554 -0.001 0.000 2.759 527 T HA -0.089 4.262 4.350 0.002 0.000 0.269 527 T C -0.464 174.171 174.700 -0.109 0.000 1.042 527 T CA 1.111 63.186 62.100 -0.042 0.000 1.140 527 T CB -1.190 67.656 68.868 -0.037 0.000 0.864 527 T HN 0.654 nan 8.240 nan 0.000 0.455 528 P HA 0.181 nan 4.420 nan 0.000 0.236 528 P C 0.321 177.365 177.300 -0.426 0.000 1.177 528 P CA 0.338 63.203 63.100 -0.391 0.000 0.773 528 P CB -0.307 31.020 31.700 -0.621 0.000 0.878 529 F N 0.512 120.440 119.950 -0.037 0.000 2.730 529 F HA 0.515 5.043 4.527 0.002 0.000 0.295 529 F C 1.210 176.967 175.800 -0.071 0.000 1.143 529 F CA -0.188 57.772 58.000 -0.065 0.000 1.367 529 F CB -0.291 38.646 39.000 -0.105 0.000 0.970 529 F HN -0.039 nan 8.300 nan 0.000 0.514 530 A N 0.601 123.465 122.820 0.073 0.000 6.861 530 A HA -0.194 4.127 4.320 0.002 0.000 0.278 530 A C -2.382 175.221 177.584 0.033 0.000 2.084 530 A CA -1.083 50.980 52.037 0.043 0.000 0.701 530 A CB -1.820 17.212 19.000 0.053 0.000 1.283 530 A HN 0.198 nan 8.150 nan 0.000 0.398 531 P HA 0.358 nan 4.420 nan 0.000 0.263 531 P C 0.451 177.772 177.300 0.035 0.000 1.175 531 P CA 1.028 64.144 63.100 0.026 0.000 0.761 531 P CB 0.065 31.780 31.700 0.026 0.000 0.794 532 A N 4.213 127.057 122.820 0.040 0.000 2.455 532 A HA 0.110 4.431 4.320 0.002 0.000 0.244 532 A C 0.364 178.040 177.584 0.153 0.000 1.099 532 A CA -0.251 51.850 52.037 0.107 0.000 0.786 532 A CB -0.279 18.813 19.000 0.152 0.000 1.051 532 A HN 0.629 nan 8.150 nan 0.000 0.508 533 L N 0.119 121.500 121.223 0.263 0.000 2.397 533 L HA 0.233 4.574 4.340 0.002 0.000 0.271 533 L C 1.366 178.276 176.870 0.067 0.000 1.148 533 L CA 0.223 55.141 54.840 0.129 0.000 0.825 533 L CB 1.354 43.466 42.059 0.088 0.000 1.117 533 L HN 0.949 nan 8.230 nan 0.000 0.456 534 T N -2.552 112.018 114.554 0.028 0.000 3.163 534 T HA 0.058 4.409 4.350 0.002 0.000 0.252 534 T C 0.153 174.843 174.700 -0.017 0.000 1.056 534 T CA -0.427 61.677 62.100 0.007 0.000 0.947 534 T CB -0.294 68.577 68.868 0.006 0.000 1.016 534 T HN 0.402 nan 8.240 nan 0.000 0.554 535 D N 2.030 122.411 120.400 -0.032 0.000 2.499 535 D HA 0.151 4.792 4.640 0.002 0.000 0.225 535 D C 1.171 177.424 176.300 -0.078 0.000 1.124 535 D CA -0.498 53.472 54.000 -0.050 0.000 0.938 535 D CB 0.712 41.480 40.800 -0.053 0.000 1.014 535 D HN 0.097 nan 8.370 nan 0.000 0.517 536 E N 2.179 122.336 120.200 -0.071 0.000 2.153 536 E HA -0.223 4.128 4.350 0.002 0.000 0.194 536 E C 1.447 177.982 176.600 -0.108 0.000 0.988 536 E CA 0.840 57.183 56.400 -0.095 0.000 0.811 536 E CB 0.026 29.684 29.700 -0.071 0.000 0.746 536 E HN 0.667 nan 8.360 nan 0.000 0.466 537 Q N 0.439 120.193 119.800 -0.076 0.000 2.061 537 Q HA -0.138 4.203 4.340 0.002 0.000 0.204 537 Q C 2.241 178.195 176.000 -0.076 0.000 0.984 537 Q CA 1.779 57.548 55.803 -0.056 0.000 0.846 537 Q CB -0.230 28.506 28.738 -0.003 0.000 0.902 537 Q HN 0.319 nan 8.270 nan 0.000 0.421 538 A N 0.881 123.644 122.820 -0.094 0.000 1.898 538 A HA -0.113 4.208 4.320 0.002 0.000 0.216 538 A C 2.291 179.755 177.584 -0.200 0.000 1.181 538 A CA 1.520 53.486 52.037 -0.119 0.000 0.620 538 A CB -0.817 18.118 19.000 -0.109 0.000 0.819 538 A HN 0.424 nan 8.150 nan 0.000 0.442 539 A N -0.143 122.499 122.820 -0.297 0.000 1.873 539 A HA -0.282 4.039 4.320 0.002 0.000 0.218 539 A C 2.036 179.349 177.584 -0.451 0.000 1.193 539 A CA 2.105 53.783 52.037 -0.599 0.000 0.629 539 A CB -0.775 17.843 19.000 -0.637 0.000 0.826 539 A HN 0.671 nan 8.150 nan 0.000 0.447 540 E N -1.300 118.745 120.200 -0.257 0.000 2.070 540 E HA -0.313 4.038 4.350 0.002 0.000 0.197 540 E C 2.212 178.744 176.600 -0.114 0.000 1.004 540 E CA 1.669 57.975 56.400 -0.156 0.000 0.805 540 E CB -0.127 29.506 29.700 -0.112 0.000 0.744 540 E HN 0.581 nan 8.360 nan 0.000 0.451 541 Q N -0.152 119.586 119.800 -0.103 0.000 2.224 541 Q HA -0.082 4.259 4.340 0.002 0.000 0.203 541 Q C 1.947 177.912 176.000 -0.058 0.000 0.970 541 Q CA 0.950 56.718 55.803 -0.059 0.000 0.865 541 Q CB 0.101 28.816 28.738 -0.038 0.000 0.922 541 Q HN 0.201 nan 8.270 nan 0.000 0.445 542 V N 0.105 119.955 119.914 -0.107 0.000 2.283 542 V HA -0.218 3.903 4.120 0.002 0.000 0.243 542 V C 2.183 178.266 176.094 -0.018 0.000 1.039 542 V CA 2.056 64.313 62.300 -0.071 0.000 1.016 542 V CB -0.596 31.163 31.823 -0.107 0.000 0.650 542 V HN 0.470 nan 8.190 nan 0.000 0.449 543 E N 0.445 120.620 120.200 -0.041 0.000 2.049 543 E HA -0.280 4.071 4.350 0.002 0.000 0.198 543 E C 2.144 178.797 176.600 0.088 0.000 1.007 543 E CA 2.362 58.789 56.400 0.045 0.000 0.809 543 E CB -0.247 29.471 29.700 0.030 0.000 0.749 543 E HN 0.745 nan 8.360 nan 0.000 0.450 544 I N -1.125 119.498 120.570 0.088 0.000 2.830 544 I HA -0.136 4.035 4.170 0.002 0.000 0.263 544 I C 2.298 178.519 176.117 0.172 0.000 1.230 544 I CA 1.044 62.460 61.300 0.195 0.000 1.480 544 I CB -0.087 37.936 38.000 0.038 0.000 1.095 544 I HN 0.099 nan 8.210 nan 0.000 0.455 545 Q N 0.768 120.615 119.800 0.079 0.000 2.172 545 Q HA -0.061 4.280 4.340 0.002 0.000 0.200 545 Q C 2.053 178.082 176.000 0.049 0.000 0.964 545 Q CA 1.817 57.653 55.803 0.056 0.000 0.855 545 Q CB 0.211 28.961 28.738 0.021 0.000 0.918 545 Q HN 0.589 nan 8.270 nan 0.000 0.444 546 V N -0.016 119.919 119.914 0.036 0.000 2.599 546 V HA -0.086 4.035 4.120 0.002 0.000 0.245 546 V C 2.035 178.120 176.094 -0.016 0.000 1.046 546 V CA 1.507 63.807 62.300 0.000 0.000 1.065 546 V CB -0.308 31.503 31.823 -0.020 0.000 0.703 546 V HN 0.205 nan 8.190 nan 0.000 0.464 547 K N -0.831 119.570 120.400 0.002 0.000 2.116 547 K HA -0.061 4.260 4.320 0.002 0.000 0.203 547 K C 1.742 178.175 176.600 -0.279 0.000 1.052 547 K CA 1.439 57.647 56.287 -0.132 0.000 0.952 547 K CB 0.025 32.457 32.500 -0.113 0.000 0.729 547 K HN 0.539 nan 8.250 nan 0.000 0.446 548 Y N -1.322 118.972 120.300 -0.009 0.000 2.426 548 Y HA 0.200 4.751 4.550 0.002 0.000 0.249 548 Y C 1.866 177.764 175.900 -0.004 0.000 1.103 548 Y CA 0.556 58.654 58.100 -0.004 0.000 1.256 548 Y CB 0.693 39.153 38.460 0.001 0.000 1.208 548 Y HN 0.133 nan 8.280 nan 0.000 0.519 549 E N 0.905 121.176 120.200 0.118 0.000 2.445 549 E HA 0.208 4.559 4.350 0.002 0.000 0.189 549 E C 1.998 178.611 176.600 0.021 0.000 1.069 549 E CA 0.632 57.067 56.400 0.059 0.000 0.871 549 E CB -0.996 28.731 29.700 0.045 0.000 0.991 549 E HN 0.490 nan 8.360 nan 0.000 0.481 550 G N -0.766 108.033 108.800 -0.001 0.000 2.421 550 G HA2 -0.015 3.946 3.960 0.002 0.000 0.217 550 G HA3 -0.015 3.946 3.960 0.002 0.000 0.217 550 G C 1.713 176.604 174.900 -0.015 0.000 1.143 550 G CA 1.592 46.675 45.100 -0.027 0.000 0.784 550 G HN 0.759 nan 8.290 nan 0.000 0.541 551 Y N 0.265 120.566 120.300 0.003 0.000 2.089 551 Y HA 0.123 4.674 4.550 0.002 0.000 0.282 551 Y C 3.223 179.133 175.900 0.016 0.000 1.139 551 Y CA 2.145 60.256 58.100 0.019 0.000 1.123 551 Y CB -1.022 37.473 38.460 0.057 0.000 0.980 551 Y HN 0.452 nan 8.280 nan 0.000 0.493 552 I N 0.765 121.347 120.570 0.020 0.000 3.164 552 I HA 0.438 4.609 4.170 0.002 0.000 0.278 552 I C 1.487 177.604 176.117 -0.000 0.000 1.320 552 I CA 0.517 61.820 61.300 0.004 0.000 1.422 552 I CB -2.065 35.936 38.000 0.001 0.000 1.066 552 I HN 0.933 nan 8.210 nan 0.000 0.503 553 A N 0.000 122.821 122.820 0.002 0.000 2.254 553 A HA 0.000 4.321 4.320 0.002 0.000 0.244 553 A CA 0.000 52.037 52.037 0.000 0.000 0.836 553 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 553 A HN 0.000 nan 8.150 nan 0.000 0.486