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 1w1l_1_B DATA FIRST_RESID 6 DATA SEQUENCE EFRPLTLPPK LSLSDFNEFI QDIIRIVGSE NVEVISXXXX XVDGSYMKPT DATA SEQUENCE HTHDPHHVMD QDYFLASAIV APRNVADVQS IVGLANKFSF PLWPISIGRN DATA SEQUENCE SGYGGAAPRV SGSVVLDMGK NMNRVLEVNV EGAYCVVEPG VTYHDLHNYL DATA SEQUENCE EANNLRDKLW LDVPDLGGGS VLGNAVERGV GYTPYGDHWM MHSGMEVVLA DATA SEQUENCE NGELLRTGMG ALPDPKRPET MGLKPEDQPW SKIAHLFPYG FGPYIDGLFS DATA SEQUENCE QSNMGIVTKI GIWLMPNPRG YQSYLITLPK DGDLKQAVDI IRPLRLGMAL DATA SEQUENCE QNVPTIRHIL LDAAVLGDKR SYSSRTEPLS DEELDKIAKQ LNLGRWNFYG DATA SEQUENCE ALYGPEPIRR VLWETIKDAF SAIPGVKFYF PEDTPENSVL RVRDKTMQGI DATA SEQUENCE PTYDELKWID WLPNGAHLFF SPIAKVSGED AMMQYAVTKK RCQEAGLDYI DATA SEQUENCE GTFTVGMREM HHIVCIVFNK KDLIQKRKVQ WLMRTLIDDC AANGWGEYRT DATA SEQUENCE HLAFMDQIME TYNWNNSSFL RFNEVLKNAV DPNGIIAPGK SGVWPSQYSH DATA SEQUENCE VTWKL 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 6 E HA 0.000 nan 4.350 nan 0.000 0.291 6 E C 0.000 176.588 176.600 -0.019 0.000 1.382 6 E CA 0.000 56.223 56.400 -0.295 0.000 0.976 6 E CB 0.000 29.628 29.700 -0.120 0.000 0.812 7 F N 0.067 120.100 119.950 0.137 0.000 2.220 7 F HA 0.337 4.864 4.527 -0.001 0.000 0.290 7 F C 1.279 177.163 175.800 0.140 0.000 1.080 7 F CA 0.526 58.610 58.000 0.140 0.000 1.318 7 F CB -0.121 38.930 39.000 0.086 0.000 1.063 7 F HN 0.431 nan 8.300 nan 0.000 0.498 8 R N 2.125 122.853 120.500 0.381 0.000 2.467 8 R HA 0.411 4.751 4.340 -0.001 0.000 0.299 8 R C -2.889 173.429 176.300 0.031 0.000 1.120 8 R CA -1.851 54.326 56.100 0.128 0.000 0.940 8 R CB 0.826 31.161 30.300 0.059 0.000 1.161 8 R HN 0.010 nan 8.270 nan 0.000 0.506 9 P HA 0.130 nan 4.420 nan 0.000 0.276 9 P C 0.362 177.579 177.300 -0.139 0.000 1.261 9 P CA -0.611 62.380 63.100 -0.182 0.000 0.800 9 P CB 1.299 32.663 31.700 -0.560 0.000 1.066 10 L N -0.390 120.784 121.223 -0.081 0.000 2.095 10 L HA 0.021 4.360 4.340 -0.001 0.000 0.204 10 L C 0.754 177.574 176.870 -0.082 0.000 1.080 10 L CA 1.537 56.339 54.840 -0.062 0.000 0.759 10 L CB -0.368 41.673 42.059 -0.030 0.000 0.914 10 L HN 0.455 nan 8.230 nan 0.000 0.439 11 T N 0.017 114.519 114.554 -0.086 0.000 2.861 11 T HA 0.510 4.860 4.350 -0.001 0.000 0.287 11 T C -0.465 174.160 174.700 -0.126 0.000 1.003 11 T CA -0.494 61.553 62.100 -0.088 0.000 0.977 11 T CB 2.572 71.410 68.868 -0.050 0.000 0.996 11 T HN -0.135 nan 8.240 nan 0.000 0.448 12 L N 4.204 125.340 121.223 -0.145 0.000 2.357 12 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 12 L C -1.839 174.968 176.870 -0.106 0.000 1.080 12 L CA -2.261 52.469 54.840 -0.183 0.000 0.803 12 L CB 1.028 42.967 42.059 -0.200 0.000 1.174 12 L HN 0.395 nan 8.230 nan 0.000 0.443 13 P HA 0.121 nan 4.420 nan 0.000 0.271 13 P C -2.618 174.620 177.300 -0.104 0.000 1.218 13 P CA -1.323 61.687 63.100 -0.150 0.000 0.780 13 P CB -0.333 31.095 31.700 -0.453 0.000 0.901 14 P HA -0.052 nan 4.420 nan 0.000 0.262 14 P C 0.166 177.437 177.300 -0.048 0.000 1.182 14 P CA 0.489 63.628 63.100 0.065 0.000 0.761 14 P CB 0.165 31.996 31.700 0.218 0.000 0.795 15 K N -1.350 119.025 120.400 -0.041 0.000 3.553 15 K HA -0.199 4.121 4.320 -0.001 0.000 0.303 15 K C 0.068 176.637 176.600 -0.053 0.000 1.327 15 K CA 0.526 56.783 56.287 -0.050 0.000 0.983 15 K CB -1.348 31.117 32.500 -0.059 0.000 1.275 15 K HN 0.275 nan 8.250 nan 0.000 0.453 16 L N 1.749 122.923 121.223 -0.082 0.000 2.282 16 L HA 0.280 4.620 4.340 -0.001 0.000 0.288 16 L C 0.481 177.332 176.870 -0.032 0.000 1.033 16 L CA 0.077 54.873 54.840 -0.074 0.000 0.807 16 L CB 1.494 43.432 42.059 -0.201 0.000 1.209 16 L HN 0.198 nan 8.230 nan 0.000 0.423 17 S N 3.630 119.344 115.700 0.023 0.000 2.593 17 S HA 0.149 4.619 4.470 -0.001 0.000 0.269 17 S C 1.114 175.759 174.600 0.075 0.000 1.334 17 S CA -0.476 57.748 58.200 0.041 0.000 1.015 17 S CB 0.756 63.992 63.200 0.060 0.000 0.912 17 S HN 0.717 nan 8.310 nan 0.000 0.541 18 L N 2.070 123.330 121.223 0.062 0.000 2.017 18 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 18 L C 2.817 179.795 176.870 0.180 0.000 1.073 18 L CA 2.251 57.147 54.840 0.093 0.000 0.745 18 L CB -0.974 41.114 42.059 0.049 0.000 0.894 18 L HN 0.983 nan 8.230 nan 0.000 0.432 19 S N -0.613 115.175 115.700 0.147 0.000 2.372 19 S HA -0.289 4.181 4.470 -0.001 0.000 0.227 19 S C 1.782 176.511 174.600 0.214 0.000 1.044 19 S CA 2.042 60.340 58.200 0.164 0.000 1.050 19 S CB -0.530 62.747 63.200 0.129 0.000 0.901 19 S HN 0.601 nan 8.310 nan 0.000 0.447 20 D N -0.037 120.505 120.400 0.237 0.000 2.097 20 D HA -0.061 4.579 4.640 -0.001 0.000 0.195 20 D C 1.561 177.998 176.300 0.227 0.000 0.989 20 D CA 1.015 55.209 54.000 0.323 0.000 0.827 20 D CB -0.616 40.390 40.800 0.342 0.000 0.966 20 D HN 0.531 nan 8.370 nan 0.000 0.456 21 F N 1.427 121.426 119.950 0.081 0.000 2.202 21 F HA -0.181 4.345 4.527 -0.001 0.000 0.301 21 F C 1.933 177.818 175.800 0.142 0.000 1.082 21 F CA 1.216 59.285 58.000 0.114 0.000 1.313 21 F CB 0.029 39.086 39.000 0.094 0.000 1.024 21 F HN -0.080 nan 8.300 nan 0.000 0.495 22 N N 0.079 118.925 118.700 0.243 0.000 2.207 22 N HA -0.167 4.573 4.740 -0.001 0.000 0.182 22 N C 1.881 177.419 175.510 0.046 0.000 1.020 22 N CA 1.178 54.317 53.050 0.148 0.000 0.858 22 N CB -0.342 38.268 38.487 0.206 0.000 0.991 22 N HN 0.468 nan 8.380 nan 0.000 0.427 23 E N 0.015 120.266 120.200 0.086 0.000 2.204 23 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 23 E C 1.673 178.235 176.600 -0.064 0.000 0.989 23 E CA 0.503 56.954 56.400 0.085 0.000 0.824 23 E CB 0.005 29.855 29.700 0.250 0.000 0.756 23 E HN 0.233 nan 8.360 nan 0.000 0.477 24 F N 0.630 120.287 119.950 -0.488 0.000 2.074 24 F HA -0.066 4.460 4.527 -0.001 0.000 0.293 24 F C 1.991 177.488 175.800 -0.504 0.000 1.116 24 F CA 1.282 58.797 58.000 -0.807 0.000 1.212 24 F CB -0.095 38.309 39.000 -0.993 0.000 0.998 24 F HN -0.061 nan 8.300 nan 0.000 0.471 25 I N 0.023 120.426 120.570 -0.277 0.000 2.830 25 I HA -0.189 3.981 4.170 -0.001 0.000 0.263 25 I C 1.982 177.945 176.117 -0.257 0.000 1.230 25 I CA 0.471 61.569 61.300 -0.337 0.000 1.480 25 I CB -0.239 37.517 38.000 -0.407 0.000 1.095 25 I HN 0.240 nan 8.210 nan 0.000 0.455 26 Q N 0.598 120.285 119.800 -0.188 0.000 2.079 26 Q HA -0.200 4.139 4.340 -0.001 0.000 0.200 26 Q C 1.649 177.556 176.000 -0.156 0.000 0.974 26 Q CA 1.601 57.326 55.803 -0.130 0.000 0.840 26 Q CB -0.214 28.486 28.738 -0.063 0.000 0.898 26 Q HN 0.397 nan 8.270 nan 0.000 0.430 27 D N -0.601 119.673 120.400 -0.209 0.000 2.144 27 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 27 D C 1.801 177.943 176.300 -0.263 0.000 0.978 27 D CA 0.785 54.660 54.000 -0.210 0.000 0.833 27 D CB -0.010 40.659 40.800 -0.218 0.000 0.961 27 D HN 0.295 nan 8.370 nan 0.000 0.470 28 I N 0.314 120.655 120.570 -0.381 0.000 2.353 28 I HA -0.155 4.015 4.170 -0.001 0.000 0.248 28 I C 2.212 178.198 176.117 -0.219 0.000 1.119 28 I CA 0.453 61.546 61.300 -0.345 0.000 1.417 28 I CB 0.016 37.736 38.000 -0.466 0.000 1.078 28 I HN -0.072 nan 8.210 nan 0.000 0.421 29 I N 0.454 120.909 120.570 -0.192 0.000 2.315 29 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 29 I C 2.715 178.766 176.117 -0.111 0.000 1.117 29 I CA 1.232 62.451 61.300 -0.134 0.000 1.404 29 I CB -0.250 37.678 38.000 -0.119 0.000 1.071 29 I HN 0.105 nan 8.210 nan 0.000 0.419 30 R N 0.562 120.993 120.500 -0.114 0.000 2.092 30 R HA -0.095 4.245 4.340 -0.001 0.000 0.231 30 R C 2.223 178.472 176.300 -0.084 0.000 1.119 30 R CA 1.336 57.383 56.100 -0.087 0.000 0.970 30 R CB -0.054 30.198 30.300 -0.079 0.000 0.864 30 R HN 0.323 nan 8.270 nan 0.000 0.440 31 I N -0.323 120.184 120.570 -0.106 0.000 2.277 31 I HA -0.172 3.998 4.170 -0.001 0.000 0.243 31 I C 2.000 178.066 176.117 -0.085 0.000 1.094 31 I CA 0.862 62.105 61.300 -0.095 0.000 1.393 31 I CB 0.142 38.073 38.000 -0.115 0.000 1.078 31 I HN 0.092 nan 8.210 nan 0.000 0.417 32 V N -1.564 118.293 119.914 -0.096 0.000 3.644 32 V HA 0.515 4.635 4.120 -0.001 0.000 0.267 32 V C 0.841 176.895 176.094 -0.068 0.000 1.277 32 V CA 0.205 62.456 62.300 -0.082 0.000 1.096 32 V CB -0.798 30.970 31.823 -0.092 0.000 0.828 32 V HN 0.464 nan 8.190 nan 0.000 0.446 33 G N 1.203 109.961 108.800 -0.069 0.000 2.722 33 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 33 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 33 G C 0.417 175.281 174.900 -0.060 0.000 1.282 33 G CA 0.320 45.385 45.100 -0.057 0.000 0.817 33 G HN 1.544 nan 8.290 nan 0.000 0.605 34 S N -0.522 115.146 115.700 -0.055 0.000 2.547 34 S HA -0.030 4.440 4.470 -0.001 0.000 0.235 34 S C 1.473 176.048 174.600 -0.042 0.000 0.980 34 S CA 1.784 59.950 58.200 -0.055 0.000 0.941 34 S CB -0.052 63.115 63.200 -0.055 0.000 0.763 34 S HN 0.859 nan 8.310 nan 0.000 0.532 35 E N 1.236 121.415 120.200 -0.035 0.000 2.474 35 E HA 0.212 4.561 4.350 -0.001 0.000 0.194 35 E C 0.601 177.186 176.600 -0.024 0.000 1.041 35 E CA 0.029 56.415 56.400 -0.023 0.000 0.874 35 E CB -0.131 29.558 29.700 -0.018 0.000 0.914 35 E HN 0.402 nan 8.360 nan 0.000 0.498 36 N N 0.671 119.349 118.700 -0.037 0.000 2.275 36 N HA 0.129 4.868 4.740 -0.001 0.000 0.236 36 N C -1.095 174.385 175.510 -0.050 0.000 1.154 36 N CA 0.143 53.167 53.050 -0.042 0.000 0.866 36 N CB 1.602 40.058 38.487 -0.051 0.000 1.093 36 N HN -0.061 nan 8.380 nan 0.000 0.515 37 V N 0.381 120.270 119.914 -0.042 0.000 2.567 37 V HA 0.325 4.445 4.120 -0.001 0.000 0.298 37 V C -0.343 175.745 176.094 -0.011 0.000 1.047 37 V CA -0.919 61.357 62.300 -0.039 0.000 0.880 37 V CB 2.798 34.578 31.823 -0.072 0.000 1.009 37 V HN 0.022 nan 8.190 nan 0.000 0.429 38 E N 3.517 123.730 120.200 0.021 0.000 2.199 38 E HA 0.681 5.030 4.350 -0.001 0.000 0.265 38 E C -1.516 175.137 176.600 0.087 0.000 0.882 38 E CA -0.502 55.928 56.400 0.050 0.000 0.759 38 E CB 2.247 31.988 29.700 0.069 0.000 1.148 38 E HN 0.514 nan 8.360 nan 0.000 0.412 39 V N 5.129 125.103 119.914 0.101 0.000 2.539 39 V HA 0.322 4.441 4.120 -0.001 0.000 0.292 39 V C 0.052 176.233 176.094 0.145 0.000 1.045 39 V CA -0.857 61.545 62.300 0.171 0.000 0.945 39 V CB 1.393 33.344 31.823 0.212 0.000 0.993 39 V HN 0.615 nan 8.190 nan 0.000 0.464 40 I N 3.316 123.977 120.570 0.152 0.000 2.315 40 I HA 0.549 4.718 4.170 -0.001 0.000 0.291 40 I C 0.364 176.529 176.117 0.079 0.000 1.006 40 I CA 0.334 61.698 61.300 0.107 0.000 1.265 40 I CB 0.687 38.750 38.000 0.105 0.000 1.387 40 I HN 0.617 nan 8.210 nan 0.000 0.475 48 D N 2.364 122.916 120.400 0.254 0.000 2.183 48 D HA 0.217 4.857 4.640 -0.001 0.000 0.203 48 D C 1.488 177.869 176.300 0.134 0.000 0.969 48 D CA 2.169 56.339 54.000 0.284 0.000 0.842 48 D CB 0.198 41.144 40.800 0.243 0.000 0.957 48 D HN 1.162 nan 8.370 nan 0.000 0.484 49 G N 0.015 108.868 108.800 0.088 0.000 2.574 49 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.282 49 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.282 49 G C 0.198 175.113 174.900 0.025 0.000 1.257 49 G CA 0.809 45.932 45.100 0.039 0.000 0.956 49 G HN 0.701 nan 8.290 nan 0.000 0.560 50 S N -3.129 112.581 115.700 0.018 0.000 2.880 50 S HA 0.586 5.055 4.470 -0.001 0.000 0.308 50 S C 0.464 175.114 174.600 0.082 0.000 1.195 50 S CA 0.488 58.713 58.200 0.043 0.000 0.866 50 S CB 1.169 64.388 63.200 0.031 0.000 1.254 50 S HN 1.721 nan 8.310 nan 0.000 0.571 51 Y N 0.544 120.846 120.300 0.003 0.000 2.439 51 Y HA 0.185 4.734 4.550 -0.001 0.000 0.292 51 Y C 2.018 177.934 175.900 0.027 0.000 1.130 51 Y CA 1.649 59.770 58.100 0.036 0.000 1.254 51 Y CB -0.324 38.168 38.460 0.053 0.000 1.000 51 Y HN 0.558 nan 8.280 nan 0.000 0.554 52 M N -0.737 118.845 119.600 -0.029 0.000 2.486 52 M HA 0.064 4.543 4.480 -0.001 0.000 0.264 52 M C 0.130 176.357 176.300 -0.122 0.000 1.125 52 M CA 0.848 56.078 55.300 -0.117 0.000 1.144 52 M CB 0.458 33.011 32.600 -0.078 0.000 1.353 52 M HN -0.331 nan 8.290 nan 0.000 0.466 53 K N 1.586 121.933 120.400 -0.089 0.000 2.478 53 K HA 0.417 4.736 4.320 -0.001 0.000 0.236 53 K C -2.667 173.857 176.600 -0.127 0.000 1.021 53 K CA -1.623 54.607 56.287 -0.094 0.000 1.010 53 K CB 0.839 33.304 32.500 -0.058 0.000 1.331 53 K HN -0.055 nan 8.250 nan 0.000 0.470 54 P HA 0.079 nan 4.420 nan 0.000 0.280 54 P C -0.042 177.046 177.300 -0.353 0.000 1.244 54 P CA -0.295 62.680 63.100 -0.209 0.000 0.784 54 P CB 0.826 32.410 31.700 -0.193 0.000 0.913 55 T N 1.429 115.856 114.554 -0.211 0.000 2.919 55 T HA 0.091 4.441 4.350 -0.001 0.000 0.302 55 T C 0.656 175.252 174.700 -0.172 0.000 1.031 55 T CA 0.262 62.256 62.100 -0.178 0.000 1.127 55 T CB -0.101 68.728 68.868 -0.065 0.000 0.952 55 T HN 0.410 nan 8.240 nan 0.000 0.540 56 H N 1.334 120.458 119.070 0.090 0.000 2.622 56 H HA 0.157 4.713 4.556 -0.001 0.000 0.269 56 H C 2.188 177.599 175.328 0.138 0.000 0.977 56 H CA 0.640 56.750 56.048 0.103 0.000 1.179 56 H CB 0.646 30.463 29.762 0.092 0.000 1.458 56 H HN 0.729 nan 8.280 nan 0.000 0.531 57 T N -1.561 113.156 114.554 0.272 0.000 3.009 57 T HA -0.026 4.324 4.350 -0.001 0.000 0.258 57 T C 0.852 175.747 174.700 0.324 0.000 1.063 57 T CA 0.638 62.915 62.100 0.294 0.000 1.139 57 T CB 0.205 69.259 68.868 0.311 0.000 0.890 57 T HN 0.498 nan 8.240 nan 0.000 0.471 58 H N -0.631 118.529 119.070 0.149 0.000 3.234 58 H HA 0.525 5.081 4.556 -0.001 0.000 0.280 58 H C -2.059 173.395 175.328 0.209 0.000 1.601 58 H CA -0.682 55.470 56.048 0.172 0.000 1.198 58 H CB 0.605 30.468 29.762 0.168 0.000 1.840 58 H HN 0.063 nan 8.280 nan 0.000 0.681 59 D N 2.039 122.531 120.400 0.154 0.000 2.443 59 D HA 0.273 4.912 4.640 -0.001 0.000 0.221 59 D C -1.604 174.845 176.300 0.249 0.000 1.097 59 D CA -2.531 51.596 54.000 0.211 0.000 0.865 59 D CB 1.423 42.484 40.800 0.434 0.000 1.034 59 D HN 0.160 nan 8.370 nan 0.000 0.511 60 P HA -0.110 nan 4.420 nan 0.000 0.223 60 P C 0.030 177.418 177.300 0.148 0.000 1.151 60 P CA 0.926 64.126 63.100 0.168 0.000 0.787 60 P CB 0.167 31.968 31.700 0.168 0.000 0.788 61 H N -0.528 118.574 119.070 0.053 0.000 2.452 61 H HA 0.140 4.696 4.556 -0.001 0.000 0.240 61 H C 0.081 175.530 175.328 0.202 0.000 1.498 61 H CA -0.706 55.326 56.048 -0.028 0.000 1.142 61 H CB -0.652 29.158 29.762 0.080 0.000 1.599 61 H HN 0.401 nan 8.280 nan 0.000 0.527 62 H N -0.988 118.356 119.070 0.456 0.000 2.975 62 H HA 0.064 4.620 4.556 -0.001 0.000 0.303 62 H C 1.289 176.904 175.328 0.477 0.000 1.023 62 H CA -0.485 55.845 56.048 0.469 0.000 1.473 62 H CB 0.777 30.769 29.762 0.383 0.000 1.498 62 H HN 0.138 nan 8.280 nan 0.000 0.549 63 V N 0.039 120.189 119.914 0.393 0.000 2.992 63 V HA 0.034 4.154 4.120 -0.001 0.000 0.250 63 V C 0.980 177.118 176.094 0.073 0.000 1.090 63 V CA 0.264 62.606 62.300 0.071 0.000 1.101 63 V CB -0.375 31.399 31.823 -0.082 0.000 0.743 63 V HN 0.540 nan 8.190 nan 0.000 0.468 64 M N 0.532 120.207 119.600 0.126 0.000 2.336 64 M HA 0.416 4.896 4.480 -0.001 0.000 0.256 64 M C -0.090 176.270 176.300 0.099 0.000 1.176 64 M CA -0.686 54.595 55.300 -0.031 0.000 0.948 64 M CB -0.066 32.340 32.600 -0.324 0.000 1.393 64 M HN 0.147 nan 8.290 nan 0.000 0.528 65 D N 1.446 121.862 120.400 0.027 0.000 2.563 65 D HA -0.121 4.518 4.640 -0.001 0.000 0.229 65 D C 0.906 177.247 176.300 0.068 0.000 1.159 65 D CA 0.399 54.439 54.000 0.066 0.000 0.869 65 D CB 0.507 41.362 40.800 0.090 0.000 1.203 65 D HN 0.572 nan 8.370 nan 0.000 0.478 66 Q N 1.269 120.994 119.800 -0.124 0.000 2.135 66 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 66 Q C 0.770 176.750 176.000 -0.033 0.000 0.981 66 Q CA 1.537 57.154 55.803 -0.309 0.000 0.856 66 Q CB 0.222 28.662 28.738 -0.496 0.000 0.902 66 Q HN 0.543 nan 8.270 nan 0.000 0.425 67 D N -1.212 119.174 120.400 -0.024 0.000 2.368 67 D HA -0.079 4.561 4.640 -0.001 0.000 0.218 67 D C 0.995 177.313 176.300 0.029 0.000 1.112 67 D CA -0.342 53.652 54.000 -0.009 0.000 0.834 67 D CB -0.326 40.435 40.800 -0.065 0.000 0.953 67 D HN 0.305 nan 8.370 nan 0.000 0.505 68 Y N 1.351 121.610 120.300 -0.069 0.000 2.036 68 Y HA -0.025 4.525 4.550 -0.001 0.000 0.273 68 Y C 0.303 176.052 175.900 -0.251 0.000 1.135 68 Y CA 1.304 59.271 58.100 -0.221 0.000 1.106 68 Y CB -0.186 38.053 38.460 -0.369 0.000 0.976 68 Y HN -0.209 nan 8.280 nan 0.000 0.483 69 F N 1.576 121.686 119.950 0.267 0.000 2.404 69 F HA 0.388 4.915 4.527 -0.001 0.000 0.359 69 F C -0.441 175.412 175.800 0.089 0.000 1.134 69 F CA -0.361 57.714 58.000 0.124 0.000 1.160 69 F CB 0.568 39.656 39.000 0.146 0.000 1.186 69 F HN -0.081 nan 8.300 nan 0.000 0.526 70 L N 2.893 124.214 121.223 0.164 0.000 2.445 70 L HA 0.866 5.206 4.340 -0.001 0.000 0.262 70 L C -0.686 176.251 176.870 0.111 0.000 0.974 70 L CA -0.635 54.286 54.840 0.134 0.000 0.822 70 L CB 1.779 43.879 42.059 0.068 0.000 1.339 70 L HN 0.529 nan 8.230 nan 0.000 0.409 71 A N 1.896 124.799 122.820 0.138 0.000 2.322 71 A HA 0.536 4.855 4.320 -0.001 0.000 0.269 71 A C 0.938 178.620 177.584 0.163 0.000 1.094 71 A CA 0.293 52.426 52.037 0.159 0.000 0.807 71 A CB 0.624 19.734 19.000 0.183 0.000 1.047 71 A HN 1.054 nan 8.150 nan 0.000 0.487 72 S N 0.815 116.649 115.700 0.223 0.000 2.404 72 S HA 0.459 4.929 4.470 -0.001 0.000 0.223 72 S C 0.766 175.573 174.600 0.345 0.000 1.040 72 S CA 0.863 59.217 58.200 0.256 0.000 0.957 72 S CB -0.270 63.145 63.200 0.359 0.000 0.826 72 S HN 1.973 nan 8.310 nan 0.000 0.491 73 A N -0.010 123.012 122.820 0.337 0.000 2.594 73 A HA 0.794 5.114 4.320 -0.001 0.000 0.291 73 A C -1.479 176.206 177.584 0.167 0.000 1.105 73 A CA -0.889 51.297 52.037 0.249 0.000 0.694 73 A CB 0.962 20.101 19.000 0.231 0.000 1.291 73 A HN 0.342 nan 8.150 nan 0.000 0.410 74 I N 0.387 121.027 120.570 0.118 0.000 2.474 74 I HA 0.592 4.761 4.170 -0.001 0.000 0.294 74 I C -0.856 175.274 176.117 0.021 0.000 1.005 74 I CA -0.763 60.585 61.300 0.079 0.000 1.113 74 I CB 2.148 40.203 38.000 0.091 0.000 1.289 74 I HN 0.347 nan 8.210 nan 0.000 0.436 75 V N 4.494 124.400 119.914 -0.012 0.000 2.709 75 V HA 0.720 4.839 4.120 -0.001 0.000 0.308 75 V C -0.333 175.721 176.094 -0.067 0.000 1.062 75 V CA -0.718 61.551 62.300 -0.050 0.000 0.901 75 V CB 1.900 33.677 31.823 -0.076 0.000 1.003 75 V HN 0.779 nan 8.190 nan 0.000 0.425 76 A N 5.876 128.652 122.820 -0.073 0.000 2.508 76 A HA 0.760 5.079 4.320 -0.001 0.000 0.336 76 A C -2.567 174.976 177.584 -0.070 0.000 1.360 76 A CA -1.620 50.370 52.037 -0.078 0.000 0.841 76 A CB 0.411 19.366 19.000 -0.075 0.000 1.136 76 A HN 0.562 nan 8.150 nan 0.000 0.489 77 P HA 0.082 nan 4.420 nan 0.000 0.265 77 P C 0.305 177.572 177.300 -0.055 0.000 1.193 77 P CA 0.089 63.150 63.100 -0.065 0.000 0.765 77 P CB 0.921 32.582 31.700 -0.064 0.000 0.823 78 R N 2.310 122.780 120.500 -0.050 0.000 2.100 78 R HA 0.050 4.390 4.340 -0.001 0.000 0.220 78 R C 1.249 177.529 176.300 -0.034 0.000 1.091 78 R CA 0.906 56.982 56.100 -0.040 0.000 0.986 78 R CB -0.156 30.122 30.300 -0.037 0.000 0.888 78 R HN 0.688 nan 8.270 nan 0.000 0.444 79 N N -2.052 116.626 118.700 -0.037 0.000 2.972 79 N HA 0.118 4.857 4.740 -0.001 0.000 0.262 79 N C 0.511 175.999 175.510 -0.036 0.000 1.478 79 N CA -0.663 52.368 53.050 -0.031 0.000 0.841 79 N CB 1.621 40.092 38.487 -0.026 0.000 1.512 79 N HN -0.341 nan 8.380 nan 0.000 0.548 80 V N 0.291 120.186 119.914 -0.032 0.000 2.324 80 V HA -0.266 3.854 4.120 -0.001 0.000 0.250 80 V C 2.573 178.643 176.094 -0.042 0.000 1.060 80 V CA 2.734 65.012 62.300 -0.037 0.000 1.042 80 V CB -1.268 30.534 31.823 -0.035 0.000 0.650 80 V HN 0.869 nan 8.190 nan 0.000 0.450 81 A N -0.438 122.358 122.820 -0.039 0.000 2.121 81 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 81 A C 1.843 179.399 177.584 -0.046 0.000 1.154 81 A CA 1.642 53.654 52.037 -0.041 0.000 0.679 81 A CB -0.490 18.488 19.000 -0.037 0.000 0.795 81 A HN 0.557 nan 8.150 nan 0.000 0.458 82 D N -0.292 120.078 120.400 -0.050 0.000 2.183 82 D HA -0.061 4.578 4.640 -0.001 0.000 0.203 82 D C 2.011 178.272 176.300 -0.064 0.000 0.969 82 D CA 1.192 55.155 54.000 -0.062 0.000 0.842 82 D CB -0.256 40.505 40.800 -0.065 0.000 0.957 82 D HN 0.252 nan 8.370 nan 0.000 0.484 83 V N 0.761 120.642 119.914 -0.056 0.000 2.343 83 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 83 V C 2.368 178.435 176.094 -0.044 0.000 1.051 83 V CA 1.565 63.834 62.300 -0.052 0.000 1.036 83 V CB -0.672 31.121 31.823 -0.051 0.000 0.654 83 V HN 0.176 nan 8.190 nan 0.000 0.451 84 Q N 0.141 119.916 119.800 -0.042 0.000 2.124 84 Q HA -0.162 4.177 4.340 -0.001 0.000 0.202 84 Q C 2.489 178.471 176.000 -0.030 0.000 0.977 84 Q CA 1.969 57.752 55.803 -0.033 0.000 0.850 84 Q CB -0.218 28.500 28.738 -0.033 0.000 0.901 84 Q HN 0.652 nan 8.270 nan 0.000 0.429 85 S N 0.467 116.140 115.700 -0.044 0.000 2.395 85 S HA -0.032 4.438 4.470 -0.001 0.000 0.225 85 S C 1.901 176.459 174.600 -0.071 0.000 1.027 85 S CA 0.645 58.814 58.200 -0.053 0.000 0.965 85 S CB -0.060 63.100 63.200 -0.066 0.000 0.812 85 S HN 0.257 nan 8.310 nan 0.000 0.482 86 I N 1.197 121.715 120.570 -0.086 0.000 2.361 86 I HA -0.124 4.046 4.170 -0.001 0.000 0.251 86 I C 2.104 178.208 176.117 -0.022 0.000 1.133 86 I CA 0.764 62.001 61.300 -0.105 0.000 1.413 86 I CB -0.262 37.677 38.000 -0.103 0.000 1.073 86 I HN 0.133 nan 8.210 nan 0.000 0.424 87 V N 0.574 120.487 119.914 -0.001 0.000 2.323 87 V HA -0.142 3.977 4.120 -0.001 0.000 0.244 87 V C 2.581 178.713 176.094 0.064 0.000 1.041 87 V CA 2.052 64.375 62.300 0.038 0.000 1.025 87 V CB -1.236 30.597 31.823 0.016 0.000 0.656 87 V HN 0.537 nan 8.190 nan 0.000 0.451 88 G N -0.221 108.601 108.800 0.037 0.000 2.469 88 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.219 88 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.219 88 G C 1.600 176.557 174.900 0.095 0.000 1.150 88 G CA 1.117 46.246 45.100 0.048 0.000 0.763 88 G HN 0.454 nan 8.290 nan 0.000 0.561 89 L N 0.402 121.684 121.223 0.098 0.000 2.072 89 L HA 0.026 4.366 4.340 -0.001 0.000 0.205 89 L C 3.414 180.566 176.870 0.470 0.000 1.079 89 L CA 0.916 55.880 54.840 0.208 0.000 0.752 89 L CB -0.394 41.634 42.059 -0.050 0.000 0.906 89 L HN 0.301 nan 8.230 nan 0.000 0.436 90 A N 0.027 123.088 122.820 0.402 0.000 1.933 90 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 90 A C 2.056 179.855 177.584 0.359 0.000 1.175 90 A CA 1.795 54.126 52.037 0.491 0.000 0.628 90 A CB -0.544 18.652 19.000 0.327 0.000 0.814 90 A HN 0.420 nan 8.150 nan 0.000 0.444 91 N N -0.142 118.699 118.700 0.236 0.000 2.084 91 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 91 N C 1.706 177.310 175.510 0.155 0.000 1.030 91 N CA 1.674 54.822 53.050 0.164 0.000 0.849 91 N CB -0.352 38.196 38.487 0.101 0.000 1.012 91 N HN 0.651 nan 8.380 nan 0.000 0.423 92 K N -0.372 120.126 120.400 0.163 0.000 2.103 92 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 92 K C 1.272 177.846 176.600 -0.043 0.000 1.048 92 K CA 1.324 57.633 56.287 0.036 0.000 0.930 92 K CB -0.102 32.403 32.500 0.008 0.000 0.716 92 K HN 0.082 nan 8.250 nan 0.000 0.444 93 F N 0.058 120.142 119.950 0.224 0.000 2.746 93 F HA 0.220 4.747 4.527 -0.001 0.000 0.297 93 F C 0.334 176.216 175.800 0.137 0.000 1.113 93 F CA 0.011 58.142 58.000 0.219 0.000 1.367 93 F CB 0.607 39.832 39.000 0.375 0.000 1.111 93 F HN -0.221 nan 8.300 nan 0.000 0.590 94 S N 0.781 116.653 115.700 0.287 0.000 3.766 94 S HA -0.234 4.235 4.470 -0.001 0.000 0.416 94 S C -0.606 174.108 174.600 0.190 0.000 0.902 94 S CA -0.001 58.314 58.200 0.191 0.000 1.283 94 S CB -1.862 61.396 63.200 0.097 0.000 0.891 94 S HN 0.263 nan 8.310 nan 0.000 0.556 95 F N 3.788 123.796 119.950 0.098 0.000 2.434 95 F HA 0.463 4.990 4.527 -0.001 0.000 0.355 95 F C -2.271 173.560 175.800 0.052 0.000 1.115 95 F CA -2.221 55.766 58.000 -0.023 0.000 1.010 95 F CB 1.252 40.047 39.000 -0.341 0.000 1.234 95 F HN 0.008 nan 8.300 nan 0.000 0.439 96 P HA 0.186 nan 4.420 nan 0.000 0.269 96 P C -1.063 176.450 177.300 0.355 0.000 1.209 96 P CA 0.088 63.380 63.100 0.321 0.000 0.776 96 P CB 1.323 33.170 31.700 0.245 0.000 0.876 97 L N 1.949 123.316 121.223 0.240 0.000 2.362 97 L HA 0.519 4.859 4.340 -0.001 0.000 0.271 97 L C -0.158 176.856 176.870 0.239 0.000 1.002 97 L CA -0.525 54.436 54.840 0.202 0.000 0.818 97 L CB 2.454 44.579 42.059 0.110 0.000 1.298 97 L HN 0.460 nan 8.230 nan 0.000 0.420 98 W N 5.749 127.068 121.300 0.032 0.000 2.338 98 W HA 0.358 5.017 4.660 -0.001 0.000 0.315 98 W C -2.538 173.979 176.519 -0.004 0.000 1.005 98 W CA -1.768 55.581 57.345 0.006 0.000 1.380 98 W CB 1.992 31.468 29.460 0.027 0.000 1.235 98 W HN 0.201 nan 8.180 nan 0.000 0.409 99 P HA 0.169 nan 4.420 nan 0.000 0.282 99 P C -0.456 176.652 177.300 -0.320 0.000 1.274 99 P CA 0.298 63.233 63.100 -0.276 0.000 0.770 99 P CB 1.170 32.703 31.700 -0.279 0.000 0.867 100 I N -0.595 119.901 120.570 -0.124 0.000 2.957 100 I HA 0.572 4.741 4.170 -0.001 0.000 0.310 100 I C 0.585 176.669 176.117 -0.054 0.000 1.063 100 I CA -0.704 60.560 61.300 -0.059 0.000 1.033 100 I CB 1.975 40.029 38.000 0.090 0.000 1.230 100 I HN -0.030 nan 8.210 nan 0.000 0.447 101 S N 1.830 117.513 115.700 -0.029 0.000 2.591 101 S HA 0.399 4.869 4.470 -0.001 0.000 0.235 101 S C 1.152 175.750 174.600 -0.003 0.000 1.074 101 S CA 0.322 58.503 58.200 -0.031 0.000 0.925 101 S CB 0.233 63.409 63.200 -0.039 0.000 0.818 101 S HN 0.682 nan 8.310 nan 0.000 0.535 102 I N -0.873 119.719 120.570 0.038 0.000 4.922 102 I HA 0.254 4.424 4.170 -0.001 0.000 0.331 102 I C 1.349 177.550 176.117 0.139 0.000 1.260 102 I CA 0.955 62.299 61.300 0.073 0.000 1.366 102 I CB -0.050 37.976 38.000 0.042 0.000 1.386 102 I HN 0.434 nan 8.210 nan 0.000 0.483 103 G N 2.306 111.187 108.800 0.134 0.000 2.137 103 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.237 103 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.237 103 G C 0.804 175.780 174.900 0.127 0.000 1.002 103 G CA 0.154 45.357 45.100 0.173 0.000 0.702 103 G HN 0.351 nan 8.290 nan 0.000 0.515 104 R N -0.352 120.216 120.500 0.114 0.000 2.426 104 R HA 0.151 4.491 4.340 -0.001 0.000 0.263 104 R C 1.194 177.621 176.300 0.211 0.000 0.961 104 R CA -0.181 55.997 56.100 0.130 0.000 1.086 104 R CB -0.067 30.279 30.300 0.077 0.000 1.186 104 R HN 0.186 nan 8.270 nan 0.000 0.537 105 N N 0.915 119.731 118.700 0.193 0.000 2.747 105 N HA -0.021 4.719 4.740 -0.001 0.000 0.252 105 N C -0.742 174.885 175.510 0.195 0.000 1.352 105 N CA 0.304 53.491 53.050 0.227 0.000 0.960 105 N CB -0.038 38.581 38.487 0.221 0.000 1.303 105 N HN -0.006 nan 8.380 nan 0.000 0.518 106 S N -0.797 114.994 115.700 0.151 0.000 2.560 106 S HA 0.315 4.785 4.470 -0.001 0.000 0.284 106 S C 1.413 175.982 174.600 -0.053 0.000 1.327 106 S CA 0.384 58.592 58.200 0.014 0.000 1.055 106 S CB 0.632 63.793 63.200 -0.064 0.000 0.868 106 S HN 0.610 nan 8.310 nan 0.000 0.506 107 G N 1.448 110.198 108.800 -0.082 0.000 2.162 107 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.260 107 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.260 107 G C 0.135 175.016 174.900 -0.031 0.000 0.976 107 G CA 0.491 45.516 45.100 -0.126 0.000 0.655 107 G HN 0.717 nan 8.290 nan 0.000 0.533 108 Y N -1.061 119.389 120.300 0.250 0.000 2.666 108 Y HA 0.461 5.010 4.550 -0.001 0.000 0.260 108 Y C 1.862 177.592 175.900 -0.285 0.000 1.089 108 Y CA -0.035 58.133 58.100 0.115 0.000 1.246 108 Y CB 0.990 39.504 38.460 0.090 0.000 1.353 108 Y HN 0.923 nan 8.280 nan 0.000 0.558 109 G N -1.190 107.524 108.800 -0.144 0.000 2.485 109 G HA2 0.142 4.102 3.960 -0.001 0.000 0.181 109 G HA3 0.142 4.102 3.960 -0.001 0.000 0.181 109 G C 0.965 175.859 174.900 -0.011 0.000 0.999 109 G CA 0.131 45.043 45.100 -0.313 0.000 0.721 109 G HN 0.833 nan 8.290 nan 0.000 0.486 110 G N 0.541 109.389 108.800 0.081 0.000 2.596 110 G HA2 0.121 4.081 3.960 -0.001 0.000 0.295 110 G HA3 0.121 4.081 3.960 -0.001 0.000 0.295 110 G C 1.302 176.291 174.900 0.148 0.000 1.240 110 G CA 2.299 47.468 45.100 0.114 0.000 0.985 110 G HN 1.899 nan 8.290 nan 0.000 0.555 111 A N 0.335 123.246 122.820 0.152 0.000 2.278 111 A HA 0.716 5.036 4.320 -0.001 0.000 0.212 111 A C 1.513 179.207 177.584 0.183 0.000 1.213 111 A CA 1.622 53.805 52.037 0.243 0.000 0.840 111 A CB -0.671 18.494 19.000 0.275 0.000 0.866 111 A HN 2.363 nan 8.150 nan 0.000 0.489 112 A N 1.764 124.598 122.820 0.024 0.000 2.477 112 A HA 0.512 4.832 4.320 -0.001 0.000 0.246 112 A C -2.312 174.838 177.584 -0.723 0.000 1.078 112 A CA -1.101 50.856 52.037 -0.133 0.000 0.770 112 A CB -0.147 18.849 19.000 -0.007 0.000 1.011 112 A HN 0.292 nan 8.150 nan 0.000 0.494 113 P HA 0.168 nan 4.420 nan 0.000 0.275 113 P C 0.340 177.040 177.300 -1.000 0.000 1.228 113 P CA -0.314 61.947 63.100 -1.398 0.000 0.786 113 P CB 1.014 32.485 31.700 -0.381 0.000 0.927 114 R N 2.979 122.692 120.500 -1.312 0.000 2.092 114 R HA -0.006 4.333 4.340 -0.001 0.000 0.231 114 R C 0.100 176.426 176.300 0.044 0.000 1.119 114 R CA 1.512 57.324 56.100 -0.480 0.000 0.970 114 R CB -1.015 29.072 30.300 -0.354 0.000 0.864 114 R HN 0.321 nan 8.270 nan 0.000 0.440 115 V N 2.034 121.915 119.914 -0.056 0.000 2.348 115 V HA 0.265 4.384 4.120 -0.001 0.000 0.270 115 V C -0.199 175.944 176.094 0.082 0.000 1.037 115 V CA -0.596 61.733 62.300 0.049 0.000 0.872 115 V CB 1.211 32.968 31.823 -0.109 0.000 1.002 115 V HN 0.233 nan 8.190 nan 0.000 0.464 116 S N 3.650 119.439 115.700 0.148 0.000 2.549 116 S HA 0.454 4.924 4.470 -0.001 0.000 0.286 116 S C 1.259 175.920 174.600 0.101 0.000 1.314 116 S CA 0.670 58.924 58.200 0.089 0.000 1.062 116 S CB 0.831 64.031 63.200 0.000 0.000 0.865 116 S HN 1.439 nan 8.310 nan 0.000 0.498 117 G N 2.247 111.105 108.800 0.097 0.000 2.211 117 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.201 117 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.201 117 G C 0.157 175.190 174.900 0.222 0.000 0.997 117 G CA -0.121 45.041 45.100 0.104 0.000 0.652 117 G HN 0.695 nan 8.290 nan 0.000 0.500 118 S N -0.156 115.686 115.700 0.236 0.000 2.584 118 S HA 0.442 4.912 4.470 -0.001 0.000 0.270 118 S C 0.781 175.614 174.600 0.389 0.000 1.346 118 S CA -0.142 58.269 58.200 0.352 0.000 1.018 118 S CB 1.947 65.315 63.200 0.281 0.000 0.899 118 S HN 0.729 nan 8.310 nan 0.000 0.542 119 V N 3.334 123.465 119.914 0.362 0.000 2.397 119 V HA 0.066 4.185 4.120 -0.001 0.000 0.262 119 V C 0.201 176.411 176.094 0.193 0.000 1.047 119 V CA -0.398 62.005 62.300 0.172 0.000 1.003 119 V CB 0.117 31.909 31.823 -0.052 0.000 1.037 119 V HN 0.642 nan 8.190 nan 0.000 0.480 120 V N 7.068 127.106 119.914 0.207 0.000 2.493 120 V HA 0.005 4.125 4.120 -0.001 0.000 0.292 120 V C 0.307 176.469 176.094 0.115 0.000 1.016 120 V CA 0.042 62.477 62.300 0.226 0.000 1.097 120 V CB 0.925 32.887 31.823 0.232 0.000 0.947 120 V HN 0.598 nan 8.190 nan 0.000 0.479 121 L N 5.655 126.930 121.223 0.087 0.000 2.315 121 L HA 0.354 4.693 4.340 -0.001 0.000 0.278 121 L C 0.394 177.239 176.870 -0.042 0.000 1.088 121 L CA 0.110 54.951 54.840 0.001 0.000 0.899 121 L CB 0.684 42.732 42.059 -0.018 0.000 1.277 121 L HN 0.597 nan 8.230 nan 0.000 0.431 122 D N 4.369 124.718 120.400 -0.084 0.000 2.455 122 D HA -0.014 4.626 4.640 -0.001 0.000 0.234 122 D C 1.150 177.381 176.300 -0.115 0.000 1.224 122 D CA -0.039 53.866 54.000 -0.158 0.000 0.999 122 D CB 0.627 41.251 40.800 -0.293 0.000 1.072 122 D HN 0.400 nan 8.370 nan 0.000 0.514 123 M N 1.813 121.359 119.600 -0.089 0.000 2.175 123 M HA 0.003 4.483 4.480 -0.001 0.000 0.264 123 M C 2.008 178.269 176.300 -0.066 0.000 1.063 123 M CA 0.772 56.028 55.300 -0.073 0.000 1.119 123 M CB -0.891 31.667 32.600 -0.071 0.000 1.377 123 M HN 0.404 nan 8.290 nan 0.000 0.415 124 G N -0.362 108.399 108.800 -0.066 0.000 2.511 124 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.217 124 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.217 124 G C 1.701 176.577 174.900 -0.040 0.000 1.133 124 G CA 0.626 45.699 45.100 -0.046 0.000 0.792 124 G HN 0.443 nan 8.290 nan 0.000 0.539 125 K N 0.661 121.026 120.400 -0.058 0.000 2.009 125 K HA -0.109 4.211 4.320 -0.001 0.000 0.210 125 K C 1.819 178.403 176.600 -0.027 0.000 1.049 125 K CA 1.757 58.020 56.287 -0.040 0.000 0.929 125 K CB -0.019 32.446 32.500 -0.058 0.000 0.714 125 K HN 0.254 nan 8.250 nan 0.000 0.440 126 N N -0.819 117.861 118.700 -0.034 0.000 2.332 126 N HA 0.079 4.819 4.740 -0.001 0.000 0.190 126 N C -0.202 175.293 175.510 -0.024 0.000 1.117 126 N CA 0.208 53.242 53.050 -0.026 0.000 0.883 126 N CB 0.556 39.026 38.487 -0.029 0.000 1.089 126 N HN 0.158 nan 8.380 nan 0.000 0.480 127 M N 0.931 120.513 119.600 -0.030 0.000 2.151 127 M HA 0.216 4.696 4.480 -0.001 0.000 0.349 127 M C 0.421 176.704 176.300 -0.029 0.000 1.284 127 M CA 0.180 55.464 55.300 -0.028 0.000 1.173 127 M CB 0.615 33.195 32.600 -0.033 0.000 1.469 127 M HN 0.074 nan 8.290 nan 0.000 0.439 128 N N 0.830 119.517 118.700 -0.023 0.000 1.952 128 N HA 0.149 4.889 4.740 -0.001 0.000 0.231 128 N C -0.328 175.170 175.510 -0.020 0.000 1.378 128 N CA -0.196 52.843 53.050 -0.019 0.000 0.828 128 N CB 1.085 39.568 38.487 -0.008 0.000 1.097 128 N HN 0.488 nan 8.380 nan 0.000 0.476 129 R N 1.327 121.815 120.500 -0.021 0.000 2.390 129 R HA 0.285 4.624 4.340 -0.001 0.000 0.291 129 R C -0.369 175.888 176.300 -0.071 0.000 1.070 129 R CA -0.325 55.761 56.100 -0.022 0.000 1.014 129 R CB 1.794 32.090 30.300 -0.007 0.000 1.007 129 R HN -0.131 nan 8.270 nan 0.000 0.466 130 V N 6.054 125.899 119.914 -0.116 0.000 2.403 130 V HA -0.042 4.077 4.120 -0.001 0.000 0.265 130 V C 1.546 177.513 176.094 -0.212 0.000 1.034 130 V CA 0.405 62.544 62.300 -0.268 0.000 1.036 130 V CB 0.169 31.626 31.823 -0.610 0.000 1.032 130 V HN 0.743 nan 8.190 nan 0.000 0.478 131 L N 3.139 124.266 121.223 -0.160 0.000 2.072 131 L HA 0.175 4.515 4.340 -0.001 0.000 0.205 131 L C 1.112 177.922 176.870 -0.100 0.000 1.079 131 L CA 1.267 56.057 54.840 -0.083 0.000 0.752 131 L CB 0.054 42.095 42.059 -0.030 0.000 0.906 131 L HN 0.623 nan 8.230 nan 0.000 0.436 132 E N -0.959 119.131 120.200 -0.183 0.000 2.390 132 E HA 0.462 4.811 4.350 -0.001 0.000 0.277 132 E C -1.760 174.672 176.600 -0.281 0.000 0.939 132 E CA -0.437 55.854 56.400 -0.182 0.000 0.769 132 E CB 3.149 32.767 29.700 -0.137 0.000 1.251 132 E HN -0.284 nan 8.360 nan 0.000 0.450 133 V N 3.495 123.267 119.914 -0.238 0.000 2.482 133 V HA 0.338 4.458 4.120 -0.001 0.000 0.295 133 V C -0.501 175.423 176.094 -0.285 0.000 1.026 133 V CA -0.867 61.283 62.300 -0.251 0.000 0.856 133 V CB 1.707 33.474 31.823 -0.094 0.000 1.001 133 V HN 0.553 nan 8.190 nan 0.000 0.424 134 N N 3.566 121.954 118.700 -0.521 0.000 2.444 134 N HA 0.321 5.061 4.740 -0.001 0.000 0.262 134 N C 0.501 175.835 175.510 -0.293 0.000 0.974 134 N CA -0.225 52.523 53.050 -0.504 0.000 0.933 134 N CB 2.315 40.171 38.487 -1.050 0.000 1.137 134 N HN 0.372 nan 8.380 nan 0.000 0.498 135 V N 3.940 123.767 119.914 -0.145 0.000 2.407 135 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 135 V C 2.153 178.215 176.094 -0.053 0.000 1.041 135 V CA 1.749 64.001 62.300 -0.080 0.000 1.040 135 V CB -0.329 31.465 31.823 -0.048 0.000 0.671 135 V HN 0.768 nan 8.190 nan 0.000 0.455 136 E N 0.796 120.973 120.200 -0.037 0.000 2.230 136 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 136 E C 2.120 178.728 176.600 0.013 0.000 0.987 136 E CA 1.136 57.528 56.400 -0.013 0.000 0.841 136 E CB -0.474 29.222 29.700 -0.005 0.000 0.783 136 E HN 0.458 nan 8.360 nan 0.000 0.481 137 G N 1.115 109.947 108.800 0.054 0.000 2.551 137 G HA2 0.152 4.112 3.960 -0.001 0.000 0.216 137 G HA3 0.152 4.112 3.960 -0.001 0.000 0.216 137 G C 0.842 175.854 174.900 0.187 0.000 1.137 137 G CA 0.080 45.290 45.100 0.184 0.000 0.798 137 G HN 0.634 nan 8.290 nan 0.000 0.536 138 A N -1.519 121.339 122.820 0.063 0.000 2.475 138 A HA 0.043 4.362 4.320 -0.001 0.000 0.295 138 A C 0.050 177.766 177.584 0.219 0.000 1.457 138 A CA 1.256 53.330 52.037 0.061 0.000 0.734 138 A CB -2.545 16.473 19.000 0.029 0.000 1.118 138 A HN 1.961 nan 8.150 nan 0.000 0.400 139 Y N -2.748 117.597 120.300 0.074 0.000 2.670 139 Y HA 0.724 5.273 4.550 -0.001 0.000 0.334 139 Y C -0.162 175.726 175.900 -0.021 0.000 1.185 139 Y CA -1.426 56.738 58.100 0.108 0.000 1.053 139 Y CB 0.264 38.850 38.460 0.211 0.000 1.298 139 Y HN 1.341 nan 8.280 nan 0.000 0.459 140 C N 0.521 119.881 119.300 0.101 0.000 2.898 140 C HA 0.943 5.403 4.460 -0.001 0.000 0.304 140 C C -0.913 173.995 174.990 -0.136 0.000 1.237 140 C CA -0.967 57.981 59.018 -0.116 0.000 1.529 140 C CB 1.008 28.656 27.740 -0.153 0.000 2.021 140 C HN 0.877 nan 8.230 nan 0.000 0.474 141 V N 1.609 121.363 119.914 -0.268 0.000 2.630 141 V HA 0.851 4.970 4.120 -0.001 0.000 0.305 141 V C -0.134 175.817 176.094 -0.239 0.000 1.046 141 V CA -0.444 61.641 62.300 -0.358 0.000 0.934 141 V CB 1.418 32.959 31.823 -0.471 0.000 1.003 141 V HN 0.933 nan 8.190 nan 0.000 0.451 142 V N 2.380 122.178 119.914 -0.194 0.000 2.888 142 V HA 0.424 4.544 4.120 -0.001 0.000 0.309 142 V C -0.419 175.612 176.094 -0.104 0.000 1.114 142 V CA -0.549 61.658 62.300 -0.155 0.000 0.940 142 V CB 2.446 34.166 31.823 -0.171 0.000 1.021 142 V HN 1.015 nan 8.190 nan 0.000 0.426 143 E N 4.958 125.108 120.200 -0.084 0.000 2.280 143 E HA 0.309 4.658 4.350 -0.001 0.000 0.264 143 E C -1.819 174.738 176.600 -0.071 0.000 1.064 143 E CA -1.622 54.743 56.400 -0.057 0.000 0.900 143 E CB 1.308 30.985 29.700 -0.038 0.000 1.123 143 E HN 0.404 nan 8.360 nan 0.000 0.418 144 P HA -0.186 nan 4.420 nan 0.000 0.217 144 P C 1.046 178.308 177.300 -0.064 0.000 1.148 144 P CA 1.429 64.490 63.100 -0.065 0.000 0.834 144 P CB 0.099 31.764 31.700 -0.058 0.000 0.783 145 G N -1.385 107.383 108.800 -0.053 0.000 2.712 145 G HA2 0.014 3.974 3.960 -0.001 0.000 0.212 145 G HA3 0.014 3.974 3.960 -0.001 0.000 0.212 145 G C 0.275 175.151 174.900 -0.040 0.000 1.142 145 G CA -0.041 45.036 45.100 -0.039 0.000 0.789 145 G HN 0.157 nan 8.290 nan 0.000 0.535 146 V N 2.749 122.624 119.914 -0.065 0.000 2.479 146 V HA 0.249 4.368 4.120 -0.001 0.000 0.281 146 V C 1.183 177.210 176.094 -0.111 0.000 1.031 146 V CA -0.028 62.228 62.300 -0.074 0.000 1.038 146 V CB 0.200 31.959 31.823 -0.107 0.000 0.981 146 V HN 0.409 nan 8.190 nan 0.000 0.478 147 T N 2.105 116.627 114.554 -0.052 0.000 2.771 147 T HA 0.256 4.606 4.350 -0.001 0.000 0.290 147 T C 0.939 175.576 174.700 -0.105 0.000 1.005 147 T CA -0.047 62.020 62.100 -0.055 0.000 0.944 147 T CB 0.470 69.401 68.868 0.106 0.000 1.147 147 T HN 0.370 nan 8.240 nan 0.000 0.534 148 Y N -0.589 119.762 120.300 0.086 0.000 2.163 148 Y HA 0.014 4.564 4.550 -0.001 0.000 0.288 148 Y C 2.902 178.864 175.900 0.102 0.000 1.136 148 Y CA 1.805 59.939 58.100 0.057 0.000 1.147 148 Y CB -1.027 37.445 38.460 0.020 0.000 0.987 148 Y HN 0.864 nan 8.280 nan 0.000 0.509 149 H N -0.053 119.167 119.070 0.249 0.000 2.319 149 H HA -0.187 4.368 4.556 -0.001 0.000 0.299 149 H C 1.869 177.321 175.328 0.207 0.000 1.092 149 H CA 1.960 58.156 56.048 0.246 0.000 1.302 149 H CB -0.066 29.871 29.762 0.291 0.000 1.373 149 H HN 0.206 nan 8.280 nan 0.000 0.497 150 D N 0.059 120.638 120.400 0.298 0.000 2.126 150 D HA -0.184 4.456 4.640 -0.001 0.000 0.190 150 D C 2.233 178.632 176.300 0.165 0.000 1.001 150 D CA 1.285 55.397 54.000 0.187 0.000 0.841 150 D CB -0.451 40.406 40.800 0.096 0.000 0.949 150 D HN 0.279 nan 8.370 nan 0.000 0.446 151 L N 0.314 121.612 121.223 0.124 0.000 2.109 151 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 151 L C 2.291 179.259 176.870 0.162 0.000 1.086 151 L CA 1.656 56.554 54.840 0.098 0.000 0.760 151 L CB -0.611 41.461 42.059 0.021 0.000 0.910 151 L HN 0.180 nan 8.230 nan 0.000 0.437 152 H N -0.534 118.574 119.070 0.063 0.000 2.319 152 H HA -0.159 4.396 4.556 -0.001 0.000 0.299 152 H C 1.597 176.949 175.328 0.040 0.000 1.092 152 H CA 1.799 57.854 56.048 0.013 0.000 1.302 152 H CB 0.205 29.909 29.762 -0.096 0.000 1.373 152 H HN 0.413 nan 8.280 nan 0.000 0.497 153 N N 0.249 118.940 118.700 -0.015 0.000 2.289 153 N HA -0.162 4.578 4.740 -0.001 0.000 0.184 153 N C 1.776 177.276 175.510 -0.017 0.000 1.016 153 N CA 0.765 53.788 53.050 -0.045 0.000 0.872 153 N CB -0.581 37.965 38.487 0.098 0.000 0.973 153 N HN 0.483 nan 8.380 nan 0.000 0.433 154 Y N 1.474 121.743 120.300 -0.051 0.000 2.242 154 Y HA 0.020 4.570 4.550 -0.001 0.000 0.291 154 Y C 2.115 177.974 175.900 -0.068 0.000 1.137 154 Y CA 1.094 59.167 58.100 -0.046 0.000 1.181 154 Y CB -0.228 38.216 38.460 -0.028 0.000 0.989 154 Y HN -0.043 nan 8.280 nan 0.000 0.527 155 L N -0.268 121.033 121.223 0.130 0.000 2.217 155 L HA -0.117 4.223 4.340 -0.001 0.000 0.211 155 L C 2.242 179.060 176.870 -0.087 0.000 1.107 155 L CA 1.094 55.966 54.840 0.053 0.000 0.783 155 L CB -0.416 41.681 42.059 0.063 0.000 0.919 155 L HN 0.276 nan 8.230 nan 0.000 0.442 156 E N 0.495 120.586 120.200 -0.181 0.000 2.051 156 E HA -0.089 4.261 4.350 -0.001 0.000 0.189 156 E C 2.117 178.631 176.600 -0.143 0.000 0.979 156 E CA 1.136 57.425 56.400 -0.184 0.000 0.803 156 E CB 0.021 29.560 29.700 -0.269 0.000 0.761 156 E HN 0.362 nan 8.360 nan 0.000 0.451 157 A N 0.952 123.673 122.820 -0.165 0.000 2.239 157 A HA -0.069 4.251 4.320 -0.001 0.000 0.209 157 A C 1.261 178.719 177.584 -0.210 0.000 1.171 157 A CA 0.756 52.693 52.037 -0.168 0.000 0.768 157 A CB -0.519 18.381 19.000 -0.167 0.000 0.790 157 A HN 0.177 nan 8.150 nan 0.000 0.478 158 N N -0.358 118.208 118.700 -0.224 0.000 2.197 158 N HA 0.060 4.799 4.740 -0.001 0.000 0.228 158 N C -0.361 175.090 175.510 -0.098 0.000 1.212 158 N CA -0.172 52.763 53.050 -0.192 0.000 0.883 158 N CB 0.323 38.641 38.487 -0.281 0.000 1.107 158 N HN 0.276 nan 8.380 nan 0.000 0.519 159 N N 0.344 118.996 118.700 -0.079 0.000 2.800 159 N HA -0.189 4.550 4.740 -0.001 0.000 0.250 159 N C 0.463 175.965 175.510 -0.014 0.000 1.078 159 N CA 0.607 53.632 53.050 -0.042 0.000 0.804 159 N CB -1.228 37.239 38.487 -0.034 0.000 1.135 159 N HN 0.393 nan 8.380 nan 0.000 0.565 160 L N 0.338 121.557 121.223 -0.007 0.000 2.418 160 L HA 0.063 4.403 4.340 -0.001 0.000 0.218 160 L C 2.498 179.409 176.870 0.068 0.000 1.125 160 L CA 0.271 55.128 54.840 0.029 0.000 0.835 160 L CB -0.214 41.876 42.059 0.051 0.000 0.953 160 L HN 0.162 nan 8.230 nan 0.000 0.454 161 R N 0.803 121.341 120.500 0.064 0.000 2.185 161 R HA -0.238 4.101 4.340 -0.001 0.000 0.247 161 R C 1.313 177.732 176.300 0.197 0.000 1.159 161 R CA 1.803 57.977 56.100 0.123 0.000 0.988 161 R CB -0.225 30.102 30.300 0.045 0.000 0.871 161 R HN 0.328 nan 8.270 nan 0.000 0.458 162 D N 0.074 120.542 120.400 0.113 0.000 2.144 162 D HA -0.098 4.541 4.640 -0.001 0.000 0.200 162 D C 1.403 177.740 176.300 0.062 0.000 0.978 162 D CA 1.391 55.446 54.000 0.092 0.000 0.833 162 D CB 0.214 41.039 40.800 0.042 0.000 0.961 162 D HN 0.264 nan 8.370 nan 0.000 0.470 163 K N -1.427 119.001 120.400 0.047 0.000 2.399 163 K HA 0.318 4.637 4.320 -0.001 0.000 0.196 163 K C 0.008 176.592 176.600 -0.026 0.000 1.117 163 K CA 0.176 56.458 56.287 -0.009 0.000 0.965 163 K CB 1.351 33.844 32.500 -0.010 0.000 0.983 163 K HN -0.029 nan 8.250 nan 0.000 0.531 164 L N 0.719 121.975 121.223 0.056 0.000 2.436 164 L HA 0.424 4.764 4.340 -0.001 0.000 0.268 164 L C -1.489 175.548 176.870 0.278 0.000 0.974 164 L CA -0.927 53.953 54.840 0.067 0.000 0.826 164 L CB 1.636 43.718 42.059 0.039 0.000 1.291 164 L HN -0.029 nan 8.230 nan 0.000 0.406 165 W N 3.136 124.374 121.300 -0.104 0.000 2.551 165 W HA 0.597 5.257 4.660 -0.001 0.000 0.330 165 W C 0.033 176.495 176.519 -0.094 0.000 1.063 165 W CA -0.888 56.396 57.345 -0.101 0.000 1.222 165 W CB 1.041 30.413 29.460 -0.146 0.000 1.349 165 W HN 0.231 nan 8.180 nan 0.000 0.536 166 L N 2.050 123.354 121.223 0.135 0.000 2.482 166 L HA 0.329 4.668 4.340 -0.001 0.000 0.242 166 L C 0.161 177.084 176.870 0.088 0.000 1.210 166 L CA -0.150 54.749 54.840 0.098 0.000 0.819 166 L CB 0.470 42.584 42.059 0.090 0.000 1.203 166 L HN 0.259 nan 8.230 nan 0.000 0.495 167 D N 0.330 120.802 120.400 0.120 0.000 2.736 167 D HA 0.416 5.055 4.640 -0.001 0.000 0.243 167 D C -1.321 175.008 176.300 0.050 0.000 1.304 167 D CA -0.171 53.912 54.000 0.138 0.000 0.934 167 D CB 2.028 42.995 40.800 0.279 0.000 1.382 167 D HN 0.222 nan 8.370 nan 0.000 0.571 168 V N 1.740 121.603 119.914 -0.085 0.000 2.628 168 V HA 0.706 4.826 4.120 -0.001 0.000 0.306 168 V C -2.517 173.439 176.094 -0.232 0.000 1.045 168 V CA -1.985 60.062 62.300 -0.421 0.000 0.905 168 V CB 1.507 33.139 31.823 -0.318 0.000 0.997 168 V HN 0.317 nan 8.190 nan 0.000 0.436 169 P HA 0.242 nan 4.420 nan 0.000 0.306 169 P C 0.214 177.555 177.300 0.068 0.000 1.301 169 P CA -0.084 62.978 63.100 -0.063 0.000 0.744 169 P CB 0.486 32.146 31.700 -0.066 0.000 1.400 170 D N -1.418 119.064 120.400 0.136 0.000 2.264 170 D HA 0.004 4.643 4.640 -0.001 0.000 0.208 170 D C 0.666 176.914 176.300 -0.086 0.000 0.966 170 D CA 1.254 55.270 54.000 0.028 0.000 0.864 170 D CB -0.140 40.703 40.800 0.071 0.000 0.933 170 D HN 0.197 nan 8.370 nan 0.000 0.499 171 L N -2.292 118.869 121.223 -0.104 0.000 2.303 171 L HA 0.597 4.936 4.340 -0.001 0.000 0.256 171 L C 1.390 178.156 176.870 -0.173 0.000 1.034 171 L CA -0.958 53.765 54.840 -0.195 0.000 0.832 171 L CB 1.961 43.947 42.059 -0.121 0.000 1.403 171 L HN -0.297 nan 8.230 nan 0.000 0.419 172 G N -0.978 107.623 108.800 -0.331 0.000 3.044 172 G HA2 0.138 4.098 3.960 -0.001 0.000 0.223 172 G HA3 0.138 4.098 3.960 -0.001 0.000 0.223 172 G C 1.076 176.179 174.900 0.338 0.000 1.123 172 G CA 0.590 45.660 45.100 -0.050 0.000 0.765 172 G HN 0.821 nan 8.290 nan 0.000 0.546 173 G N 0.814 109.892 108.800 0.464 0.000 2.484 173 G HA2 0.280 4.240 3.960 -0.001 0.000 0.218 173 G HA3 0.280 4.240 3.960 -0.001 0.000 0.218 173 G C 1.038 176.088 174.900 0.249 0.000 1.130 173 G CA 0.551 45.864 45.100 0.354 0.000 0.784 173 G HN 0.576 nan 8.290 nan 0.000 0.543 174 G N 0.114 109.144 108.800 0.382 0.000 2.554 174 G HA2 0.329 4.289 3.960 -0.001 0.000 0.238 174 G HA3 0.329 4.289 3.960 -0.001 0.000 0.238 174 G C 0.230 175.186 174.900 0.094 0.000 1.259 174 G CA 0.276 45.575 45.100 0.331 0.000 0.843 174 G HN 0.253 nan 8.290 nan 0.000 0.582 175 S N 0.311 116.007 115.700 -0.006 0.000 2.531 175 S HA 0.099 4.569 4.470 -0.001 0.000 0.279 175 S C 1.629 175.991 174.600 -0.397 0.000 1.305 175 S CA -0.700 57.398 58.200 -0.170 0.000 1.058 175 S CB 0.984 64.141 63.200 -0.072 0.000 0.899 175 S HN 0.396 nan 8.310 nan 0.000 0.493 176 V N 5.971 125.520 119.914 -0.608 0.000 2.295 176 V HA -0.145 3.974 4.120 -0.001 0.000 0.246 176 V C 2.274 178.206 176.094 -0.270 0.000 1.049 176 V CA 2.050 63.952 62.300 -0.664 0.000 1.024 176 V CB -0.921 30.597 31.823 -0.510 0.000 0.648 176 V HN 0.894 nan 8.190 nan 0.000 0.447 177 L N 1.620 122.734 121.223 -0.181 0.000 2.095 177 L HA 0.206 4.546 4.340 -0.001 0.000 0.204 177 L C 2.279 179.128 176.870 -0.035 0.000 1.080 177 L CA 2.404 57.192 54.840 -0.087 0.000 0.759 177 L CB -1.804 40.204 42.059 -0.085 0.000 0.914 177 L HN 0.186 nan 8.230 nan 0.000 0.439 178 G N 0.334 109.106 108.800 -0.047 0.000 2.514 178 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.217 178 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.217 178 G C 1.604 176.527 174.900 0.038 0.000 1.198 178 G CA 0.924 46.016 45.100 -0.013 0.000 0.780 178 G HN 0.559 nan 8.290 nan 0.000 0.565 179 N N 1.306 120.056 118.700 0.083 0.000 2.137 179 N HA -0.161 4.579 4.740 -0.001 0.000 0.190 179 N C 2.467 178.099 175.510 0.203 0.000 1.017 179 N CA 1.602 54.764 53.050 0.187 0.000 0.859 179 N CB -0.257 38.433 38.487 0.338 0.000 1.002 179 N HN 0.295 nan 8.380 nan 0.000 0.428 180 A N 0.634 123.556 122.820 0.170 0.000 1.897 180 A HA -0.071 4.249 4.320 -0.001 0.000 0.215 180 A C 2.344 180.113 177.584 0.309 0.000 1.181 180 A CA 1.646 53.839 52.037 0.261 0.000 0.620 180 A CB -0.856 18.250 19.000 0.177 0.000 0.821 180 A HN 0.273 nan 8.150 nan 0.000 0.443 181 V N -2.631 117.384 119.914 0.168 0.000 3.078 181 V HA -0.039 4.080 4.120 -0.001 0.000 0.265 181 V C 1.378 177.395 176.094 -0.128 0.000 1.122 181 V CA 2.028 64.334 62.300 0.010 0.000 1.141 181 V CB -0.572 31.238 31.823 -0.023 0.000 0.735 181 V HN 0.404 nan 8.190 nan 0.000 0.498 182 E N 0.688 120.863 120.200 -0.042 0.000 2.489 182 E HA 0.143 4.493 4.350 -0.001 0.000 0.193 182 E C 0.805 177.364 176.600 -0.068 0.000 1.057 182 E CA 0.031 56.373 56.400 -0.097 0.000 0.866 182 E CB -0.063 29.605 29.700 -0.054 0.000 0.916 182 E HN 0.693 nan 8.360 nan 0.000 0.500 183 R N -0.621 119.896 120.500 0.029 0.000 3.651 183 R HA -0.147 4.192 4.340 -0.001 0.000 0.292 183 R C 0.744 177.196 176.300 0.254 0.000 1.161 183 R CA 0.511 56.693 56.100 0.136 0.000 0.787 183 R CB -2.369 27.942 30.300 0.018 0.000 1.249 183 R HN 0.172 nan 8.270 nan 0.000 0.476 184 G N 0.006 108.946 108.800 0.233 0.000 2.684 184 G HA2 0.416 4.375 3.960 -0.001 0.000 0.255 184 G HA3 0.416 4.375 3.960 -0.001 0.000 0.255 184 G C -0.129 174.749 174.900 -0.036 0.000 1.219 184 G CA -0.304 44.923 45.100 0.213 0.000 0.901 184 G HN 0.028 nan 8.290 nan 0.000 0.548 185 V N -0.063 119.690 119.914 -0.268 0.000 2.638 185 V HA 0.742 4.861 4.120 -0.001 0.000 0.306 185 V C 0.740 176.295 176.094 -0.898 0.000 1.052 185 V CA 0.118 62.032 62.300 -0.645 0.000 0.885 185 V CB 1.495 32.934 31.823 -0.640 0.000 0.999 185 V HN 1.148 nan 8.190 nan 0.000 0.424 186 G N 2.081 110.206 108.800 -1.125 0.000 3.217 186 G HA2 0.570 4.529 3.960 -0.001 0.000 0.213 186 G HA3 0.570 4.529 3.960 -0.001 0.000 0.213 186 G C -1.004 173.286 174.900 -1.015 0.000 1.294 186 G CA -0.198 44.321 45.100 -0.969 0.000 0.987 186 G HN 0.558 nan 8.290 nan 0.000 0.584 187 Y N -0.275 119.998 120.300 -0.044 0.000 2.779 187 Y HA 0.300 4.850 4.550 -0.001 0.000 0.251 187 Y C 1.339 177.282 175.900 0.072 0.000 1.145 187 Y CA -0.247 57.848 58.100 -0.008 0.000 1.201 187 Y CB 0.348 38.789 38.460 -0.031 0.000 1.281 187 Y HN 0.619 nan 8.280 nan 0.000 0.563 188 T N -3.869 110.777 114.554 0.153 0.000 2.893 188 T HA 0.323 4.672 4.350 -0.001 0.000 0.279 188 T C -1.941 172.785 174.700 0.044 0.000 0.991 188 T CA -2.316 59.832 62.100 0.080 0.000 0.950 188 T CB 1.556 70.424 68.868 0.002 0.000 1.223 188 T HN -0.310 nan 8.240 nan 0.000 0.585 189 P HA -0.048 nan 4.420 nan 0.000 0.224 189 P C 0.071 177.518 177.300 0.244 0.000 1.142 189 P CA 0.994 64.145 63.100 0.086 0.000 0.778 189 P CB -0.202 31.523 31.700 0.043 0.000 0.764 190 Y N -1.593 118.700 120.300 -0.012 0.000 2.625 190 Y HA 0.362 4.912 4.550 -0.001 0.000 0.285 190 Y C 2.130 178.071 175.900 0.069 0.000 1.168 190 Y CA -0.624 57.513 58.100 0.062 0.000 1.250 190 Y CB -0.869 37.652 38.460 0.103 0.000 1.130 190 Y HN -0.077 nan 8.280 nan 0.000 0.526 191 G N -0.874 107.973 108.800 0.079 0.000 2.598 191 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.215 191 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.215 191 G C 0.597 175.317 174.900 -0.300 0.000 1.131 191 G CA 0.212 45.223 45.100 -0.148 0.000 0.785 191 G HN 0.209 nan 8.290 nan 0.000 0.539 192 D N 0.074 120.407 120.400 -0.112 0.000 2.563 192 D HA 0.126 4.765 4.640 -0.001 0.000 0.222 192 D C 1.012 177.349 176.300 0.062 0.000 1.145 192 D CA -0.358 53.598 54.000 -0.073 0.000 1.001 192 D CB -0.229 40.566 40.800 -0.009 0.000 1.049 192 D HN 0.461 nan 8.370 nan 0.000 0.515 193 H N 1.305 120.409 119.070 0.056 0.000 2.321 193 H HA -0.209 4.347 4.556 -0.001 0.000 0.295 193 H C 1.860 177.252 175.328 0.108 0.000 1.102 193 H CA 1.373 57.477 56.048 0.094 0.000 1.266 193 H CB 0.119 29.961 29.762 0.134 0.000 1.363 193 H HN 0.570 nan 8.280 nan 0.000 0.492 194 W N 1.273 122.657 121.300 0.141 0.000 2.363 194 W HA -0.179 4.481 4.660 -0.001 0.000 0.296 194 W C 1.474 178.073 176.519 0.133 0.000 1.212 194 W CA 0.939 58.349 57.345 0.108 0.000 1.260 194 W CB -0.055 29.449 29.460 0.074 0.000 1.131 194 W HN 0.205 nan 8.180 nan 0.000 0.530 195 M N 0.369 119.975 119.600 0.010 0.000 2.549 195 M HA -0.152 4.327 4.480 -0.001 0.000 0.260 195 M C 1.329 177.394 176.300 -0.392 0.000 1.076 195 M CA 1.033 56.245 55.300 -0.147 0.000 1.090 195 M CB -0.657 31.954 32.600 0.017 0.000 1.418 195 M HN -0.003 nan 8.290 nan 0.000 0.486 196 M N -1.113 118.259 119.600 -0.379 0.000 2.428 196 M HA 0.071 4.551 4.480 -0.001 0.000 0.239 196 M C 0.636 176.331 176.300 -1.010 0.000 1.121 196 M CA 0.206 55.192 55.300 -0.523 0.000 1.019 196 M CB -1.545 30.996 32.600 -0.097 0.000 1.485 196 M HN 0.277 nan 8.290 nan 0.000 0.484 197 H N -0.862 117.637 119.070 -0.952 0.000 2.607 197 H HA 0.526 5.081 4.556 -0.001 0.000 0.367 197 H C -0.506 174.188 175.328 -1.057 0.000 1.181 197 H CA -0.404 55.093 56.048 -0.918 0.000 1.402 197 H CB 0.909 30.121 29.762 -0.917 0.000 1.474 197 H HN 0.014 nan 8.280 nan 0.000 0.596 198 S N 1.909 117.166 115.700 -0.738 0.000 2.582 198 S HA 0.469 4.939 4.470 -0.001 0.000 0.287 198 S C -0.585 173.929 174.600 -0.143 0.000 1.146 198 S CA -0.084 57.794 58.200 -0.538 0.000 0.941 198 S CB 0.115 63.027 63.200 -0.480 0.000 1.115 198 S HN 1.848 nan 8.310 nan 0.000 0.458 199 G N 4.713 113.507 108.800 -0.010 0.000 2.694 199 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.247 199 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.247 199 G C -0.394 174.612 174.900 0.176 0.000 0.989 199 G CA 0.362 45.517 45.100 0.091 0.000 1.252 199 G HN 1.403 nan 8.290 nan 0.000 0.483 200 M N 0.206 119.978 119.600 0.287 0.000 2.528 200 M HA 0.819 5.298 4.480 -0.001 0.000 0.321 200 M C -0.230 176.235 176.300 0.275 0.000 1.153 200 M CA -1.069 54.373 55.300 0.236 0.000 0.951 200 M CB 2.336 34.955 32.600 0.032 0.000 1.705 200 M HN 0.289 nan 8.290 nan 0.000 0.451 201 E N 1.761 122.111 120.200 0.250 0.000 2.231 201 E HA 0.646 4.996 4.350 -0.001 0.000 0.277 201 E C -1.726 174.809 176.600 -0.107 0.000 0.999 201 E CA -0.785 55.653 56.400 0.063 0.000 0.827 201 E CB 1.906 31.672 29.700 0.110 0.000 1.101 201 E HN 0.660 nan 8.360 nan 0.000 0.393 202 V N 3.957 123.755 119.914 -0.193 0.000 2.808 202 V HA 0.213 4.332 4.120 -0.001 0.000 0.308 202 V C -0.680 175.311 176.094 -0.172 0.000 1.099 202 V CA -0.925 61.209 62.300 -0.278 0.000 0.920 202 V CB 2.111 33.558 31.823 -0.626 0.000 1.014 202 V HN 0.489 nan 8.190 nan 0.000 0.425 203 V N 5.853 125.692 119.914 -0.125 0.000 2.385 203 V HA 0.356 4.476 4.120 -0.001 0.000 0.269 203 V C 0.444 176.507 176.094 -0.052 0.000 1.043 203 V CA -0.243 62.010 62.300 -0.078 0.000 0.906 203 V CB 1.036 32.824 31.823 -0.059 0.000 0.995 203 V HN 0.616 nan 8.190 nan 0.000 0.467 204 L N 3.579 124.787 121.223 -0.025 0.000 2.468 204 L HA 0.227 4.567 4.340 -0.001 0.000 0.253 204 L C 1.906 178.786 176.870 0.017 0.000 1.237 204 L CA 0.284 55.137 54.840 0.022 0.000 0.823 204 L CB 0.191 42.272 42.059 0.036 0.000 1.124 204 L HN 0.713 nan 8.230 nan 0.000 0.504 205 A N 0.817 123.654 122.820 0.028 0.000 1.968 205 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 205 A C 1.671 179.270 177.584 0.025 0.000 1.169 205 A CA 1.387 53.438 52.037 0.022 0.000 0.638 205 A CB -0.663 18.348 19.000 0.018 0.000 0.812 205 A HN 0.914 nan 8.150 nan 0.000 0.446 206 N N -0.960 117.753 118.700 0.022 0.000 2.521 206 N HA 0.204 4.944 4.740 -0.001 0.000 0.188 206 N C 1.034 176.552 175.510 0.014 0.000 1.146 206 N CA 1.493 54.555 53.050 0.020 0.000 0.893 206 N CB -0.196 38.301 38.487 0.016 0.000 0.975 206 N HN 0.752 nan 8.380 nan 0.000 0.451 207 G N -0.731 108.074 108.800 0.008 0.000 2.238 207 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 207 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 207 G C -0.446 174.446 174.900 -0.013 0.000 0.996 207 G CA -0.083 45.016 45.100 -0.002 0.000 0.632 207 G HN 0.471 nan 8.290 nan 0.000 0.503 208 E N 0.563 120.756 120.200 -0.011 0.000 2.354 208 E HA 0.539 4.888 4.350 -0.001 0.000 0.269 208 E C 0.358 176.937 176.600 -0.034 0.000 1.036 208 E CA -0.418 55.970 56.400 -0.020 0.000 0.876 208 E CB 1.379 31.072 29.700 -0.012 0.000 1.009 208 E HN 0.271 nan 8.360 nan 0.000 0.416 209 L N 3.903 125.097 121.223 -0.049 0.000 2.349 209 L HA 0.338 4.677 4.340 -0.001 0.000 0.275 209 L C -0.596 176.227 176.870 -0.078 0.000 1.115 209 L CA -0.292 54.504 54.840 -0.073 0.000 0.820 209 L CB 0.563 42.571 42.059 -0.085 0.000 1.135 209 L HN 0.427 nan 8.230 nan 0.000 0.445 210 L N 4.974 126.138 121.223 -0.098 0.000 2.436 210 L HA 0.501 4.840 4.340 -0.001 0.000 0.268 210 L C -0.870 175.923 176.870 -0.128 0.000 0.974 210 L CA -0.498 54.288 54.840 -0.091 0.000 0.826 210 L CB 1.422 43.450 42.059 -0.051 0.000 1.291 210 L HN 0.546 nan 8.230 nan 0.000 0.406 211 R N 2.425 122.846 120.500 -0.132 0.000 2.532 211 R HA 0.584 4.923 4.340 -0.001 0.000 0.295 211 R C -0.423 175.886 176.300 0.016 0.000 0.968 211 R CA -0.593 55.444 56.100 -0.106 0.000 0.916 211 R CB 1.558 31.649 30.300 -0.349 0.000 1.124 211 R HN 0.706 nan 8.270 nan 0.000 0.463 212 T N -1.881 112.741 114.554 0.114 0.000 2.923 212 T HA 0.618 4.967 4.350 -0.001 0.000 0.281 212 T C 0.949 175.775 174.700 0.209 0.000 0.995 212 T CA 0.192 62.393 62.100 0.169 0.000 0.985 212 T CB 1.758 70.747 68.868 0.202 0.000 1.114 212 T HN 0.799 nan 8.240 nan 0.000 0.548 213 G N 1.257 110.195 108.800 0.229 0.000 2.591 213 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.298 213 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.298 213 G C 0.842 175.849 174.900 0.179 0.000 1.195 213 G CA 0.427 45.649 45.100 0.203 0.000 0.989 213 G HN 0.804 nan 8.290 nan 0.000 0.551 214 M N 2.355 122.050 119.600 0.158 0.000 2.561 214 M HA 0.146 4.625 4.480 -0.001 0.000 0.238 214 M C 2.559 178.942 176.300 0.137 0.000 1.131 214 M CA 1.348 56.738 55.300 0.150 0.000 1.046 214 M CB -0.670 32.023 32.600 0.156 0.000 1.532 214 M HN 0.708 nan 8.290 nan 0.000 0.497 215 G N 0.505 109.419 108.800 0.189 0.000 2.470 215 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.220 215 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.220 215 G C 1.495 176.399 174.900 0.006 0.000 1.121 215 G CA 0.955 46.168 45.100 0.188 0.000 0.766 215 G HN 0.542 nan 8.290 nan 0.000 0.553 216 A N -0.431 122.422 122.820 0.055 0.000 2.169 216 A HA 0.370 4.690 4.320 -0.001 0.000 0.212 216 A C 1.010 178.606 177.584 0.019 0.000 1.153 216 A CA 0.011 52.064 52.037 0.027 0.000 0.756 216 A CB -0.011 19.032 19.000 0.071 0.000 0.813 216 A HN 0.293 nan 8.150 nan 0.000 0.471 217 L N 2.417 123.662 121.223 0.037 0.000 2.325 217 L HA 0.297 4.637 4.340 -0.001 0.000 0.284 217 L C -2.379 174.492 176.870 0.001 0.000 1.089 217 L CA -2.135 52.719 54.840 0.024 0.000 0.836 217 L CB 0.619 42.704 42.059 0.044 0.000 1.184 217 L HN 0.069 nan 8.230 nan 0.000 0.444 218 P HA 0.054 nan 4.420 nan 0.000 0.276 218 P C -0.686 176.608 177.300 -0.009 0.000 1.230 218 P CA -0.464 62.618 63.100 -0.030 0.000 0.776 218 P CB 0.785 32.465 31.700 -0.033 0.000 0.888 219 D N 4.235 124.632 120.400 -0.004 0.000 2.450 219 D HA 0.107 4.746 4.640 -0.001 0.000 0.247 219 D C -1.848 174.457 176.300 0.008 0.000 1.162 219 D CA -1.070 52.941 54.000 0.019 0.000 0.879 219 D CB -0.366 40.456 40.800 0.037 0.000 1.163 219 D HN 0.183 nan 8.370 nan 0.000 0.472 220 P HA 0.011 nan 4.420 nan 0.000 0.265 220 P C -0.519 176.784 177.300 0.005 0.000 1.193 220 P CA -0.038 63.065 63.100 0.005 0.000 0.765 220 P CB 0.315 32.019 31.700 0.007 0.000 0.823 221 K N 3.941 124.340 120.400 -0.001 0.000 2.550 221 K HA 0.012 4.332 4.320 -0.001 0.000 0.280 221 K C 0.725 177.327 176.600 0.003 0.000 0.987 221 K CA 0.555 56.841 56.287 -0.001 0.000 1.048 221 K CB 0.226 32.724 32.500 -0.004 0.000 0.879 221 K HN 0.636 nan 8.250 nan 0.000 0.491 222 R N 1.801 122.304 120.500 0.005 0.000 2.739 222 R HA 0.261 4.601 4.340 -0.001 0.000 0.271 222 R C -2.666 173.637 176.300 0.006 0.000 1.010 222 R CA -1.746 54.358 56.100 0.007 0.000 0.897 222 R CB 0.954 31.261 30.300 0.012 0.000 1.236 222 R HN 0.109 nan 8.270 nan 0.000 0.466 223 P HA -0.163 nan 4.420 nan 0.000 0.216 223 P C 0.233 177.537 177.300 0.005 0.000 1.150 223 P CA 1.391 64.494 63.100 0.004 0.000 0.843 223 P CB 0.226 31.928 31.700 0.004 0.000 0.787 224 E N -1.579 118.626 120.200 0.009 0.000 2.358 224 E HA -0.056 4.294 4.350 -0.001 0.000 0.195 224 E C 1.360 177.967 176.600 0.011 0.000 1.010 224 E CA 1.301 57.708 56.400 0.011 0.000 0.856 224 E CB -0.908 28.801 29.700 0.015 0.000 0.795 224 E HN 0.379 nan 8.360 nan 0.000 0.504 225 T N -2.090 112.470 114.554 0.010 0.000 3.134 225 T HA 0.265 4.615 4.350 -0.001 0.000 0.260 225 T C 0.481 175.181 174.700 -0.001 0.000 1.027 225 T CA -0.413 61.692 62.100 0.008 0.000 0.913 225 T CB 0.034 68.909 68.868 0.011 0.000 1.046 225 T HN -0.151 nan 8.240 nan 0.000 0.553 226 M N 2.002 121.602 119.600 -0.001 0.000 2.200 226 M HA 0.418 4.898 4.480 -0.001 0.000 0.355 226 M C 1.585 177.880 176.300 -0.007 0.000 1.283 226 M CA 0.694 55.991 55.300 -0.005 0.000 1.124 226 M CB -0.094 32.504 32.600 -0.004 0.000 1.625 226 M HN 0.587 nan 8.290 nan 0.000 0.463 227 G N 3.146 111.939 108.800 -0.011 0.000 2.148 227 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.254 227 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.254 227 G C 0.034 174.926 174.900 -0.014 0.000 0.981 227 G CA -0.285 44.807 45.100 -0.013 0.000 0.670 227 G HN 0.618 nan 8.290 nan 0.000 0.528 228 L N 0.966 122.180 121.223 -0.015 0.000 2.410 228 L HA 0.197 4.537 4.340 -0.001 0.000 0.273 228 L C 1.270 178.124 176.870 -0.027 0.000 1.144 228 L CA -0.292 54.538 54.840 -0.017 0.000 0.863 228 L CB 0.542 42.593 42.059 -0.014 0.000 1.140 228 L HN 0.109 nan 8.230 nan 0.000 0.463 229 K N 5.111 125.495 120.400 -0.026 0.000 2.543 229 K HA -0.098 4.221 4.320 -0.001 0.000 0.279 229 K C -1.444 175.127 176.600 -0.048 0.000 1.001 229 K CA -0.947 55.320 56.287 -0.034 0.000 1.088 229 K CB 0.350 32.831 32.500 -0.030 0.000 0.863 229 K HN 0.345 nan 8.250 nan 0.000 0.488 230 P HA -0.259 nan 4.420 nan 0.000 0.218 230 P C 0.460 177.694 177.300 -0.110 0.000 1.154 230 P CA 1.637 64.684 63.100 -0.089 0.000 0.872 230 P CB 0.142 31.789 31.700 -0.088 0.000 0.790 231 E N -0.732 119.417 120.200 -0.085 0.000 2.118 231 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 231 E C 1.279 177.850 176.600 -0.048 0.000 0.992 231 E CA 1.256 57.612 56.400 -0.073 0.000 0.804 231 E CB -0.743 28.928 29.700 -0.048 0.000 0.741 231 E HN 0.301 nan 8.360 nan 0.000 0.458 232 D N 0.406 120.784 120.400 -0.036 0.000 2.340 232 D HA 0.019 4.659 4.640 -0.001 0.000 0.220 232 D C 0.055 176.353 176.300 -0.003 0.000 1.039 232 D CA 0.288 54.283 54.000 -0.007 0.000 0.866 232 D CB 0.100 40.896 40.800 -0.005 0.000 0.913 232 D HN 0.244 nan 8.370 nan 0.000 0.523 233 Q N 1.538 121.309 119.800 -0.048 0.000 2.354 233 Q HA 0.224 4.564 4.340 -0.001 0.000 0.244 233 Q C -2.008 173.976 176.000 -0.026 0.000 0.969 233 Q CA -1.476 54.296 55.803 -0.052 0.000 0.885 233 Q CB 0.696 29.372 28.738 -0.104 0.000 1.241 233 Q HN 0.078 nan 8.270 nan 0.000 0.461 234 P HA -0.002 nan 4.420 nan 0.000 0.271 234 P C -1.206 176.157 177.300 0.105 0.000 1.233 234 P CA 0.006 63.200 63.100 0.156 0.000 0.789 234 P CB 0.472 32.253 31.700 0.134 0.000 0.951 235 W N -0.032 121.304 121.300 0.059 0.000 2.509 235 W HA 0.368 5.027 4.660 -0.001 0.000 0.351 235 W C 0.892 177.414 176.519 0.005 0.000 1.107 235 W CA -0.159 57.193 57.345 0.012 0.000 1.264 235 W CB 0.301 29.749 29.460 -0.020 0.000 1.312 235 W HN 0.314 nan 8.180 nan 0.000 0.608 236 S N 0.779 116.595 115.700 0.194 0.000 2.634 236 S HA 0.177 4.647 4.470 -0.001 0.000 0.261 236 S C 1.091 175.761 174.600 0.118 0.000 1.271 236 S CA -0.381 57.892 58.200 0.121 0.000 0.985 236 S CB 0.880 64.123 63.200 0.071 0.000 0.968 236 S HN 0.612 nan 8.310 nan 0.000 0.568 237 K N 0.017 120.470 120.400 0.088 0.000 2.097 237 K HA -0.044 4.276 4.320 -0.001 0.000 0.205 237 K C 1.317 177.950 176.600 0.055 0.000 1.050 237 K CA 1.096 57.435 56.287 0.087 0.000 0.938 237 K CB -0.556 31.988 32.500 0.073 0.000 0.718 237 K HN 0.520 nan 8.250 nan 0.000 0.442 238 I N 1.691 122.282 120.570 0.036 0.000 3.564 238 I HA 0.057 4.226 4.170 -0.001 0.000 0.294 238 I C 2.383 178.493 176.117 -0.011 0.000 1.289 238 I CA 0.292 61.607 61.300 0.026 0.000 1.325 238 I CB -1.396 36.634 38.000 0.050 0.000 1.039 238 I HN 0.171 nan 8.210 nan 0.000 0.474 239 A N 1.445 124.221 122.820 -0.074 0.000 1.896 239 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 239 A C 1.684 179.001 177.584 -0.444 0.000 1.206 239 A CA 2.095 53.998 52.037 -0.223 0.000 0.647 239 A CB -1.179 17.642 19.000 -0.297 0.000 0.828 239 A HN 0.614 nan 8.150 nan 0.000 0.455 240 H N -1.564 117.313 119.070 -0.321 0.000 2.487 240 H HA 0.496 5.052 4.556 -0.001 0.000 0.290 240 H C 0.866 176.002 175.328 -0.320 0.000 1.081 240 H CA -0.030 55.693 56.048 -0.542 0.000 1.116 240 H CB 0.219 29.304 29.762 -1.128 0.000 1.560 240 H HN 0.402 nan 8.280 nan 0.000 0.548 241 L N -1.194 120.019 121.223 -0.017 0.000 2.642 241 L HA 0.255 4.594 4.340 -0.001 0.000 0.233 241 L C -0.333 176.679 176.870 0.237 0.000 1.077 241 L CA -0.000 54.899 54.840 0.098 0.000 0.879 241 L CB 0.758 42.816 42.059 -0.001 0.000 1.151 241 L HN 0.100 nan 8.230 nan 0.000 0.495 242 F N 1.585 121.550 119.950 0.025 0.000 2.612 242 F HA 0.487 5.014 4.527 -0.001 0.000 0.332 242 F C -2.392 173.359 175.800 -0.083 0.000 1.167 242 F CA -2.380 55.593 58.000 -0.044 0.000 0.970 242 F CB 1.841 40.797 39.000 -0.073 0.000 1.234 242 F HN -0.242 nan 8.300 nan 0.000 0.453 243 P HA -0.126 nan 4.420 nan 0.000 0.219 243 P C 1.214 178.235 177.300 -0.465 0.000 1.150 243 P CA 1.306 64.106 63.100 -0.500 0.000 0.814 243 P CB 0.057 31.388 31.700 -0.615 0.000 0.787 244 Y N 0.175 119.809 120.300 -1.111 0.000 2.293 244 Y HA 0.039 4.589 4.550 -0.001 0.000 0.291 244 Y C 2.212 177.929 175.900 -0.305 0.000 1.137 244 Y CA 0.569 58.096 58.100 -0.955 0.000 1.202 244 Y CB -1.545 36.261 38.460 -1.091 0.000 0.990 244 Y HN -0.001 nan 8.280 nan 0.000 0.537 245 G N 0.409 109.240 108.800 0.051 0.000 2.627 245 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.312 245 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.312 245 G C -0.381 174.752 174.900 0.388 0.000 1.299 245 G CA 0.554 45.832 45.100 0.297 0.000 0.989 245 G HN 0.372 nan 8.290 nan 0.000 0.547 246 F N 1.074 121.121 119.950 0.161 0.000 2.546 246 F HA 0.628 5.155 4.527 -0.001 0.000 0.320 246 F C 0.719 176.579 175.800 0.101 0.000 1.076 246 F CA 1.383 59.458 58.000 0.126 0.000 0.928 246 F CB 1.635 40.697 39.000 0.105 0.000 1.189 246 F HN 2.213 nan 8.300 nan 0.000 0.465 247 G N 3.897 112.344 108.800 -0.589 0.000 2.660 247 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.247 247 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.247 247 G C -2.912 171.897 174.900 -0.151 0.000 1.328 247 G CA -0.802 44.043 45.100 -0.424 0.000 0.884 247 G HN 0.671 nan 8.290 nan 0.000 0.531 248 P HA 0.294 nan 4.420 nan 0.000 0.266 248 P C -0.887 176.490 177.300 0.129 0.000 1.195 248 P CA 0.110 63.222 63.100 0.019 0.000 0.768 248 P CB 0.311 32.025 31.700 0.023 0.000 0.838 249 Y N 4.205 124.496 120.300 -0.014 0.000 2.676 249 Y HA 0.268 4.817 4.550 -0.001 0.000 0.338 249 Y C 1.179 177.137 175.900 0.097 0.000 1.057 249 Y CA -1.195 56.928 58.100 0.038 0.000 1.314 249 Y CB -0.443 38.011 38.460 -0.010 0.000 1.164 249 Y HN 0.299 nan 8.280 nan 0.000 0.509 250 I N -0.655 119.928 120.570 0.022 0.000 3.793 250 I HA 0.104 4.274 4.170 -0.001 0.000 0.315 250 I C 0.891 176.992 176.117 -0.027 0.000 1.275 250 I CA 0.360 61.649 61.300 -0.019 0.000 1.214 250 I CB 0.136 38.185 38.000 0.082 0.000 1.018 250 I HN 0.192 nan 8.210 nan 0.000 0.439 251 D N 2.785 123.130 120.400 -0.092 0.000 2.133 251 D HA -0.156 4.484 4.640 -0.001 0.000 0.195 251 D C 2.320 178.798 176.300 0.296 0.000 0.997 251 D CA 1.867 56.004 54.000 0.229 0.000 0.840 251 D CB -0.502 40.429 40.800 0.219 0.000 0.947 251 D HN 0.531 nan 8.370 nan 0.000 0.452 252 G N -0.019 108.808 108.800 0.044 0.000 2.679 252 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.212 252 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.212 252 G C 1.305 176.024 174.900 -0.301 0.000 1.137 252 G CA -0.106 44.922 45.100 -0.121 0.000 0.787 252 G HN 0.254 nan 8.290 nan 0.000 0.534 253 L N -0.571 120.437 121.223 -0.359 0.000 2.552 253 L HA 0.211 4.551 4.340 -0.001 0.000 0.227 253 L C 1.003 177.427 176.870 -0.743 0.000 1.146 253 L CA 0.487 54.980 54.840 -0.577 0.000 0.858 253 L CB -0.085 41.526 42.059 -0.747 0.000 0.969 253 L HN 0.211 nan 8.230 nan 0.000 0.451 254 F N -1.280 118.543 119.950 -0.210 0.000 2.683 254 F HA 0.130 4.657 4.527 -0.001 0.000 0.306 254 F C 1.039 176.630 175.800 -0.348 0.000 1.102 254 F CA -0.549 57.327 58.000 -0.207 0.000 1.244 254 F CB 0.296 39.244 39.000 -0.087 0.000 1.029 254 F HN -0.098 nan 8.300 nan 0.000 0.545 255 S N -0.182 115.243 115.700 -0.458 0.000 2.478 255 S HA 0.373 4.843 4.470 -0.001 0.000 0.312 255 S C 0.134 174.467 174.600 -0.444 0.000 1.094 255 S CA -0.393 57.429 58.200 -0.630 0.000 1.081 255 S CB 1.534 63.917 63.200 -1.361 0.000 1.007 255 S HN 0.361 nan 8.310 nan 0.000 0.475 256 Q N 0.389 119.986 119.800 -0.338 0.000 2.481 256 Q HA -0.195 4.145 4.340 -0.001 0.000 0.272 256 Q C 0.031 175.879 176.000 -0.252 0.000 1.157 256 Q CA 1.141 56.777 55.803 -0.278 0.000 0.935 256 Q CB -2.316 26.257 28.738 -0.275 0.000 1.338 256 Q HN 1.064 nan 8.270 nan 0.000 0.494 257 S N -0.493 115.052 115.700 -0.259 0.000 2.715 257 S HA 0.664 5.133 4.470 -0.001 0.000 0.307 257 S C 0.107 174.564 174.600 -0.240 0.000 1.119 257 S CA -0.379 57.671 58.200 -0.251 0.000 0.937 257 S CB 1.344 64.374 63.200 -0.283 0.000 1.150 257 S HN 0.297 nan 8.310 nan 0.000 0.521 258 N N -0.307 118.254 118.700 -0.231 0.000 2.467 258 N HA 0.236 4.976 4.740 -0.001 0.000 0.278 258 N C 0.272 175.694 175.510 -0.148 0.000 1.306 258 N CA -0.468 52.454 53.050 -0.213 0.000 0.905 258 N CB 0.115 38.461 38.487 -0.234 0.000 1.236 258 N HN 0.402 nan 8.380 nan 0.000 0.509 259 M N -0.502 119.022 119.600 -0.126 0.000 2.541 259 M HA 0.339 4.819 4.480 -0.001 0.000 0.252 259 M C 0.741 177.114 176.300 0.122 0.000 1.125 259 M CA 0.202 55.447 55.300 -0.091 0.000 1.091 259 M CB -0.425 31.973 32.600 -0.336 0.000 1.420 259 M HN 0.399 nan 8.290 nan 0.000 0.486 260 G N 0.035 108.933 108.800 0.163 0.000 2.430 260 G HA2 0.545 4.505 3.960 -0.001 0.000 0.300 260 G HA3 0.545 4.505 3.960 -0.001 0.000 0.300 260 G C -1.736 173.161 174.900 -0.005 0.000 1.330 260 G CA -0.848 44.320 45.100 0.112 0.000 0.813 260 G HN 0.092 nan 8.290 nan 0.000 0.487 261 I N 0.675 121.211 120.570 -0.058 0.000 2.339 261 I HA 0.430 4.600 4.170 -0.001 0.000 0.290 261 I C 0.076 176.123 176.117 -0.117 0.000 0.994 261 I CA -0.875 60.369 61.300 -0.094 0.000 1.191 261 I CB 1.918 39.867 38.000 -0.084 0.000 1.343 261 I HN 0.195 nan 8.210 nan 0.000 0.458 262 V N 5.061 124.906 119.914 -0.116 0.000 2.498 262 V HA 0.254 4.373 4.120 -0.001 0.000 0.279 262 V C 1.002 177.047 176.094 -0.082 0.000 1.048 262 V CA -0.046 62.182 62.300 -0.120 0.000 0.967 262 V CB 1.189 32.958 31.823 -0.090 0.000 0.988 262 V HN 0.963 nan 8.190 nan 0.000 0.473 263 T N 0.545 115.063 114.554 -0.061 0.000 2.975 263 T HA 0.381 4.731 4.350 -0.001 0.000 0.257 263 T C 0.284 174.990 174.700 0.009 0.000 1.003 263 T CA -0.147 61.934 62.100 -0.031 0.000 0.932 263 T CB 0.313 69.162 68.868 -0.031 0.000 1.087 263 T HN 0.499 nan 8.240 nan 0.000 0.512 264 K N 0.140 120.564 120.400 0.041 0.000 2.557 264 K HA 0.704 5.024 4.320 -0.001 0.000 0.261 264 K C -2.179 174.459 176.600 0.062 0.000 0.932 264 K CA -0.634 55.709 56.287 0.094 0.000 0.829 264 K CB 2.960 35.640 32.500 0.300 0.000 1.358 264 K HN 0.190 nan 8.250 nan 0.000 0.430 265 I N 0.588 121.136 120.570 -0.036 0.000 2.752 265 I HA 0.510 4.679 4.170 -0.001 0.000 0.295 265 I C -0.840 175.139 176.117 -0.230 0.000 1.219 265 I CA -0.430 60.812 61.300 -0.096 0.000 1.030 265 I CB 2.058 40.005 38.000 -0.088 0.000 1.259 265 I HN 0.688 nan 8.210 nan 0.000 0.423 266 G N 7.554 116.184 108.800 -0.284 0.000 2.332 266 G HA2 0.612 4.572 3.960 -0.001 0.000 0.310 266 G HA3 0.612 4.572 3.960 -0.001 0.000 0.310 266 G C -0.931 173.799 174.900 -0.284 0.000 1.123 266 G CA -0.339 44.526 45.100 -0.392 0.000 0.873 266 G HN 0.355 nan 8.290 nan 0.000 0.460 267 I N 2.153 122.613 120.570 -0.183 0.000 2.436 267 I HA 0.287 4.457 4.170 -0.001 0.000 0.289 267 I C -0.586 175.580 176.117 0.081 0.000 1.010 267 I CA -1.254 59.959 61.300 -0.146 0.000 1.098 267 I CB 1.678 39.631 38.000 -0.079 0.000 1.266 267 I HN 0.453 nan 8.210 nan 0.000 0.434 268 W N 6.360 127.696 121.300 0.061 0.000 2.223 268 W HA 0.231 4.890 4.660 -0.001 0.000 0.334 268 W C -0.035 176.676 176.519 0.321 0.000 1.334 268 W CA -0.385 57.066 57.345 0.178 0.000 1.246 268 W CB 0.014 29.536 29.460 0.104 0.000 1.184 268 W HN 0.240 nan 8.180 nan 0.000 0.563 269 L N 4.884 126.397 121.223 0.483 0.000 2.329 269 L HA 0.435 4.775 4.340 -0.001 0.000 0.279 269 L C 0.351 177.201 176.870 -0.033 0.000 1.014 269 L CA -1.022 53.940 54.840 0.204 0.000 0.814 269 L CB 1.762 43.883 42.059 0.102 0.000 1.257 269 L HN 0.274 nan 8.230 nan 0.000 0.424 270 M N 5.022 124.253 119.600 -0.614 0.000 2.146 270 M HA 0.324 4.803 4.480 -0.001 0.000 0.352 270 M C -2.319 173.752 176.300 -0.382 0.000 1.343 270 M CA -1.364 53.415 55.300 -0.869 0.000 1.115 270 M CB 1.241 33.038 32.600 -1.339 0.000 1.657 270 M HN 0.183 nan 8.290 nan 0.000 0.471 271 P HA -0.067 nan 4.420 nan 0.000 0.265 271 P C -0.710 176.323 177.300 -0.445 0.000 1.187 271 P CA 0.087 63.034 63.100 -0.255 0.000 0.766 271 P CB 0.263 31.854 31.700 -0.182 0.000 0.820 272 N N 4.106 122.486 118.700 -0.532 0.000 2.217 272 N HA -0.102 4.637 4.740 -0.001 0.000 0.268 272 N C -1.195 173.957 175.510 -0.595 0.000 1.290 272 N CA -0.455 52.081 53.050 -0.857 0.000 0.831 272 N CB 0.294 38.505 38.487 -0.461 0.000 1.057 272 N HN 0.260 nan 8.380 nan 0.000 0.481 273 P HA -0.016 nan 4.420 nan 0.000 0.227 273 P C 0.519 177.709 177.300 -0.183 0.000 1.161 273 P CA 1.427 64.332 63.100 -0.325 0.000 0.788 273 P CB 0.219 31.793 31.700 -0.210 0.000 0.822 274 R N -2.089 118.300 120.500 -0.185 0.000 3.686 274 R HA 0.058 4.398 4.340 -0.001 0.000 0.474 274 R C 0.543 176.831 176.300 -0.020 0.000 0.959 274 R CA 1.003 57.056 56.100 -0.078 0.000 1.229 274 R CB -2.764 nan 30.300 nan 0.000 1.907 274 R HN 0.758 nan 8.270 nan 0.000 0.511 275 G N -1.761 107.042 108.800 0.005 0.000 2.658 275 G HA2 0.613 4.573 3.960 -0.001 0.000 0.301 275 G HA3 0.613 4.573 3.960 -0.001 0.000 0.301 275 G C -1.530 173.461 174.900 0.151 0.000 1.481 275 G CA 0.217 45.351 45.100 0.056 0.000 0.931 275 G HN 1.568 nan 8.290 nan 0.000 0.573 276 Y N 0.863 121.152 120.300 -0.019 0.000 2.544 276 Y HA 0.795 5.345 4.550 -0.001 0.000 0.342 276 Y C -0.989 174.804 175.900 -0.178 0.000 1.062 276 Y CA -1.169 56.902 58.100 -0.049 0.000 1.023 276 Y CB 2.932 41.516 38.460 0.207 0.000 1.308 276 Y HN 0.787 nan 8.280 nan 0.000 0.457 277 Q N 3.022 122.116 119.800 -1.178 0.000 2.520 277 Q HA 0.437 4.776 4.340 -0.001 0.000 0.237 277 Q C -1.611 173.746 176.000 -1.071 0.000 0.875 277 Q CA -0.350 54.781 55.803 -1.119 0.000 1.028 277 Q CB 1.173 29.377 28.738 -0.890 0.000 1.534 277 Q HN 0.764 nan 8.270 nan 0.000 0.471 278 S N 2.210 117.337 115.700 -0.956 0.000 2.661 278 S HA 0.884 5.354 4.470 -0.001 0.000 0.265 278 S C -0.473 173.959 174.600 -0.280 0.000 1.225 278 S CA 0.049 57.932 58.200 -0.528 0.000 0.986 278 S CB 0.646 63.660 63.200 -0.310 0.000 1.008 278 S HN 1.001 nan 8.310 nan 0.000 0.565 279 Y N -2.333 117.854 120.300 -0.188 0.000 2.687 279 Y HA 0.676 5.226 4.550 -0.001 0.000 0.338 279 Y C -1.910 173.984 175.900 -0.010 0.000 1.189 279 Y CA -1.627 56.462 58.100 -0.017 0.000 1.097 279 Y CB 0.462 38.906 38.460 -0.026 0.000 1.342 279 Y HN 0.744 nan 8.280 nan 0.000 0.461 280 L N 3.402 124.772 121.223 0.245 0.000 2.385 280 L HA 0.805 5.144 4.340 -0.001 0.000 0.273 280 L C -1.739 175.238 176.870 0.179 0.000 0.990 280 L CA -1.064 53.742 54.840 -0.057 0.000 0.821 280 L CB 1.562 43.474 42.059 -0.244 0.000 1.279 280 L HN 0.701 nan 8.230 nan 0.000 0.412 281 I N 3.949 124.562 120.570 0.072 0.000 2.362 281 I HA 0.416 4.586 4.170 -0.001 0.000 0.289 281 I C 0.035 176.108 176.117 -0.073 0.000 0.994 281 I CA -0.547 60.714 61.300 -0.064 0.000 1.158 281 I CB 1.971 39.864 38.000 -0.179 0.000 1.315 281 I HN 0.748 nan 8.210 nan 0.000 0.451 282 T N 5.103 119.603 114.554 -0.089 0.000 2.799 282 T HA 0.678 5.028 4.350 -0.001 0.000 0.286 282 T C -0.499 174.190 174.700 -0.018 0.000 0.973 282 T CA -0.715 61.380 62.100 -0.009 0.000 1.035 282 T CB 0.994 69.907 68.868 0.075 0.000 0.932 282 T HN 0.367 nan 8.240 nan 0.000 0.469 283 L N 4.812 126.068 121.223 0.054 0.000 2.318 283 L HA 0.355 4.695 4.340 -0.001 0.000 0.277 283 L C -1.878 175.039 176.870 0.078 0.000 1.008 283 L CA -2.436 52.454 54.840 0.083 0.000 0.846 283 L CB 1.689 43.844 42.059 0.161 0.000 1.220 283 L HN 0.393 nan 8.230 nan 0.000 0.423 284 P HA -0.147 nan 4.420 nan 0.000 0.213 284 P C -0.041 177.285 177.300 0.045 0.000 1.170 284 P CA 1.348 64.467 63.100 0.031 0.000 0.902 284 P CB 0.219 31.930 31.700 0.018 0.000 0.789 285 K N -0.253 120.189 120.400 0.069 0.000 2.118 285 K HA 0.057 4.377 4.320 -0.001 0.000 0.267 285 K C 0.749 177.448 176.600 0.165 0.000 0.991 285 K CA -0.304 56.034 56.287 0.085 0.000 0.916 285 K CB 0.627 33.169 32.500 0.069 0.000 1.041 285 K HN -0.118 nan 8.250 nan 0.000 0.455 286 D N 2.055 122.554 120.400 0.164 0.000 2.116 286 D HA -0.132 4.508 4.640 -0.001 0.000 0.193 286 D C 1.457 177.987 176.300 0.383 0.000 0.998 286 D CA 1.661 55.840 54.000 0.297 0.000 0.836 286 D CB -0.117 40.837 40.800 0.258 0.000 0.951 286 D HN 0.805 nan 8.370 nan 0.000 0.449 287 G N -0.796 108.135 108.800 0.218 0.000 2.882 287 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.206 287 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.206 287 G C 0.981 175.907 174.900 0.044 0.000 1.155 287 G CA 0.132 45.313 45.100 0.135 0.000 0.800 287 G HN 0.174 nan 8.290 nan 0.000 0.524 288 D N 0.085 120.526 120.400 0.068 0.000 2.317 288 D HA -0.046 4.594 4.640 -0.001 0.000 0.211 288 D C 2.347 178.561 176.300 -0.143 0.000 0.966 288 D CA -0.079 53.917 54.000 -0.006 0.000 0.876 288 D CB 0.094 40.927 40.800 0.055 0.000 0.927 288 D HN 0.256 nan 8.370 nan 0.000 0.519 289 L N 1.406 122.434 121.223 -0.324 0.000 2.103 289 L HA -0.290 4.049 4.340 -0.001 0.000 0.215 289 L C 2.047 178.641 176.870 -0.461 0.000 1.080 289 L CA 1.837 56.251 54.840 -0.710 0.000 0.764 289 L CB -0.313 40.996 42.059 -1.250 0.000 0.890 289 L HN -0.122 nan 8.230 nan 0.000 0.435 290 K N -0.770 119.460 120.400 -0.283 0.000 2.025 290 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 290 K C 2.074 178.550 176.600 -0.206 0.000 1.049 290 K CA 1.872 58.029 56.287 -0.215 0.000 0.933 290 K CB -0.408 32.023 32.500 -0.117 0.000 0.714 290 K HN 0.533 nan 8.250 nan 0.000 0.438 291 Q N -0.548 119.142 119.800 -0.184 0.000 2.245 291 Q HA 0.094 4.433 4.340 -0.001 0.000 0.201 291 Q C 1.992 177.824 176.000 -0.281 0.000 0.955 291 Q CA 0.795 56.480 55.803 -0.198 0.000 0.870 291 Q CB -0.030 28.613 28.738 -0.159 0.000 0.945 291 Q HN 0.459 nan 8.270 nan 0.000 0.461 292 A N 0.528 123.178 122.820 -0.283 0.000 1.849 292 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 292 A C 2.247 179.610 177.584 -0.368 0.000 1.202 292 A CA 1.859 53.696 52.037 -0.334 0.000 0.629 292 A CB -1.082 17.802 19.000 -0.192 0.000 0.834 292 A HN 0.219 nan 8.150 nan 0.000 0.447 293 V N 0.654 120.364 119.914 -0.341 0.000 2.324 293 V HA -0.303 3.817 4.120 -0.001 0.000 0.250 293 V C 2.176 178.123 176.094 -0.245 0.000 1.060 293 V CA 2.498 64.616 62.300 -0.303 0.000 1.042 293 V CB -1.080 30.531 31.823 -0.354 0.000 0.650 293 V HN 0.516 nan 8.190 nan 0.000 0.450 294 D N -0.339 119.915 120.400 -0.242 0.000 2.178 294 D HA -0.094 4.546 4.640 -0.001 0.000 0.201 294 D C 1.952 178.115 176.300 -0.228 0.000 0.980 294 D CA 1.161 55.042 54.000 -0.198 0.000 0.842 294 D CB -0.128 40.565 40.800 -0.178 0.000 0.948 294 D HN 0.447 nan 8.370 nan 0.000 0.472 295 I N -0.082 120.281 120.570 -0.345 0.000 2.480 295 I HA -0.112 4.058 4.170 -0.001 0.000 0.251 295 I C 2.005 177.919 176.117 -0.339 0.000 1.124 295 I CA 0.390 61.429 61.300 -0.436 0.000 1.444 295 I CB 0.079 37.598 38.000 -0.803 0.000 1.098 295 I HN -0.057 nan 8.210 nan 0.000 0.428 296 I N 0.198 120.584 120.570 -0.306 0.000 2.286 296 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 296 I C 2.666 178.754 176.117 -0.049 0.000 1.115 296 I CA 1.034 62.259 61.300 -0.125 0.000 1.392 296 I CB -0.489 37.444 38.000 -0.113 0.000 1.065 296 I HN 0.162 nan 8.210 nan 0.000 0.418 297 R N 1.260 121.712 120.500 -0.080 0.000 2.154 297 R HA -0.206 4.133 4.340 -0.001 0.000 0.236 297 R C -0.378 175.913 176.300 -0.015 0.000 1.121 297 R CA 2.667 58.742 56.100 -0.042 0.000 0.915 297 R CB -1.554 28.710 30.300 -0.060 0.000 0.856 297 R HN 0.254 nan 8.270 nan 0.000 0.431 298 P HA -0.108 nan 4.420 nan 0.000 0.223 298 P C 1.209 178.518 177.300 0.015 0.000 1.151 298 P CA 1.297 64.391 63.100 -0.010 0.000 0.787 298 P CB -0.038 31.644 31.700 -0.029 0.000 0.788 299 L N -1.163 120.075 121.223 0.024 0.000 2.209 299 L HA 0.071 4.411 4.340 -0.001 0.000 0.207 299 L C 2.906 179.843 176.870 0.111 0.000 1.094 299 L CA 0.612 55.496 54.840 0.073 0.000 0.790 299 L CB -0.583 41.536 42.059 0.100 0.000 0.932 299 L HN -0.106 nan 8.230 nan 0.000 0.447 300 R N 0.664 121.226 120.500 0.103 0.000 2.062 300 R HA -0.092 4.248 4.340 -0.001 0.000 0.229 300 R C 1.891 178.247 176.300 0.094 0.000 1.128 300 R CA 1.252 57.425 56.100 0.122 0.000 0.960 300 R CB -0.548 29.819 30.300 0.112 0.000 0.855 300 R HN 0.079 nan 8.270 nan 0.000 0.432 301 L N -0.180 121.083 121.223 0.067 0.000 2.633 301 L HA 0.175 4.515 4.340 -0.001 0.000 0.235 301 L C 0.975 177.877 176.870 0.054 0.000 1.163 301 L CA 1.606 56.478 54.840 0.054 0.000 0.859 301 L CB -0.129 41.951 42.059 0.036 0.000 0.973 301 L HN 0.397 nan 8.230 nan 0.000 0.451 302 G N -2.538 106.301 108.800 0.065 0.000 4.299 302 G HA2 0.227 4.186 3.960 -0.001 0.000 0.290 302 G HA3 0.227 4.186 3.960 -0.001 0.000 0.290 302 G C 0.451 175.398 174.900 0.078 0.000 1.019 302 G CA -0.211 44.925 45.100 0.060 0.000 0.790 302 G HN 0.110 nan 8.290 nan 0.000 0.452 303 M N 0.026 119.685 119.600 0.097 0.000 2.253 303 M HA -0.260 4.220 4.480 -0.001 0.000 0.199 303 M C 1.611 177.989 176.300 0.129 0.000 0.342 303 M CA 0.803 56.172 55.300 0.115 0.000 0.417 303 M CB -1.448 31.207 32.600 0.093 0.000 1.338 303 M HN 0.422 nan 8.290 nan 0.000 0.920 304 A N -0.984 121.922 122.820 0.144 0.000 2.044 304 A HA 0.405 4.724 4.320 -0.001 0.000 0.213 304 A C 0.838 178.569 177.584 0.244 0.000 1.169 304 A CA 0.424 52.565 52.037 0.173 0.000 0.724 304 A CB 0.488 19.580 19.000 0.153 0.000 0.840 304 A HN 0.462 nan 8.150 nan 0.000 0.463 305 L N 1.068 122.441 121.223 0.250 0.000 2.313 305 L HA 0.240 4.580 4.340 -0.001 0.000 0.273 305 L C 0.570 177.594 176.870 0.256 0.000 1.028 305 L CA -0.293 54.732 54.840 0.307 0.000 0.871 305 L CB 1.269 43.531 42.059 0.338 0.000 1.242 305 L HN 0.441 nan 8.230 nan 0.000 0.434 306 Q N 0.706 120.674 119.800 0.280 0.000 2.212 306 Q HA -0.033 4.306 4.340 -0.001 0.000 0.199 306 Q C 0.873 176.992 176.000 0.197 0.000 0.950 306 Q CA 0.633 56.573 55.803 0.229 0.000 0.863 306 Q CB 0.170 29.065 28.738 0.261 0.000 0.944 306 Q HN 0.711 nan 8.270 nan 0.000 0.465 307 N N 0.216 119.073 118.700 0.262 0.000 2.669 307 N HA 0.145 4.885 4.740 -0.001 0.000 0.306 307 N C -0.425 175.194 175.510 0.182 0.000 1.352 307 N CA -0.512 52.665 53.050 0.211 0.000 0.886 307 N CB 0.329 39.020 38.487 0.340 0.000 1.107 307 N HN -0.116 nan 8.380 nan 0.000 0.534 308 V N 1.127 121.146 119.914 0.175 0.000 2.266 308 V HA 0.398 4.517 4.120 -0.001 0.000 0.271 308 V C -2.311 173.920 176.094 0.228 0.000 1.032 308 V CA -1.301 61.096 62.300 0.160 0.000 0.806 308 V CB 0.435 32.283 31.823 0.043 0.000 1.052 308 V HN 0.606 nan 8.190 nan 0.000 0.449 309 P HA 0.401 nan 4.420 nan 0.000 0.276 309 P C -0.257 177.102 177.300 0.099 0.000 1.244 309 P CA 0.011 63.133 63.100 0.036 0.000 0.801 309 P CB 1.265 32.939 31.700 -0.043 0.000 1.006 310 T N -1.209 113.336 114.554 -0.015 0.000 2.887 310 T HA 0.701 5.050 4.350 -0.001 0.000 0.288 310 T C 0.024 174.857 174.700 0.221 0.000 1.021 310 T CA -0.783 61.377 62.100 0.099 0.000 1.000 310 T CB 0.783 69.618 68.868 -0.055 0.000 1.034 310 T HN 0.192 nan 8.240 nan 0.000 0.467 311 I N 2.162 122.937 120.570 0.342 0.000 2.354 311 I HA 0.421 4.591 4.170 -0.001 0.000 0.286 311 I C 0.387 176.810 176.117 0.511 0.000 1.007 311 I CA -0.793 60.778 61.300 0.451 0.000 1.167 311 I CB 1.173 39.377 38.000 0.340 0.000 1.320 311 I HN 0.403 nan 8.210 nan 0.000 0.458 312 R N 3.994 124.781 120.500 0.478 0.000 2.407 312 R HA 0.357 4.697 4.340 -0.001 0.000 0.303 312 R C -0.074 176.394 176.300 0.281 0.000 0.981 312 R CA -0.810 55.485 56.100 0.325 0.000 0.905 312 R CB 1.281 31.681 30.300 0.168 0.000 1.099 312 R HN 0.534 nan 8.270 nan 0.000 0.459 313 H N 2.573 121.606 119.070 -0.062 0.000 2.707 313 H HA -0.020 4.535 4.556 -0.001 0.000 0.359 313 H C 1.146 176.260 175.328 -0.357 0.000 1.113 313 H CA 0.174 55.912 56.048 -0.517 0.000 1.422 313 H CB 1.134 30.640 29.762 -0.427 0.000 1.443 313 H HN 0.562 nan 8.280 nan 0.000 0.591 314 I N 4.311 124.404 120.570 -0.796 0.000 2.530 314 I HA -0.229 3.940 4.170 -0.001 0.000 0.257 314 I C 1.803 177.719 176.117 -0.336 0.000 1.179 314 I CA 1.241 62.256 61.300 -0.475 0.000 1.440 314 I CB -0.183 37.514 38.000 -0.506 0.000 1.087 314 I HN 0.640 nan 8.210 nan 0.000 0.440 315 L N -0.767 120.308 121.223 -0.246 0.000 2.492 315 L HA -0.032 4.307 4.340 -0.001 0.000 0.223 315 L C 2.050 178.636 176.870 -0.473 0.000 1.132 315 L CA 0.151 54.752 54.840 -0.398 0.000 0.850 315 L CB -0.216 41.590 42.059 -0.421 0.000 0.966 315 L HN 0.333 nan 8.230 nan 0.000 0.454 316 L N -0.196 120.820 121.223 -0.345 0.000 2.131 316 L HA -0.123 4.216 4.340 -0.001 0.000 0.206 316 L C 1.873 178.600 176.870 -0.238 0.000 1.087 316 L CA 1.826 56.421 54.840 -0.408 0.000 0.767 316 L CB -0.457 41.379 42.059 -0.372 0.000 0.917 316 L HN 0.155 nan 8.230 nan 0.000 0.441 317 D N -0.575 119.733 120.400 -0.154 0.000 2.183 317 D HA 0.019 4.659 4.640 -0.001 0.000 0.205 317 D C 2.208 178.504 176.300 -0.007 0.000 0.962 317 D CA 1.204 55.171 54.000 -0.054 0.000 0.849 317 D CB -0.038 40.752 40.800 -0.016 0.000 0.978 317 D HN 0.363 nan 8.370 nan 0.000 0.488 318 A N 1.161 123.933 122.820 -0.081 0.000 1.940 318 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 318 A C 2.255 179.951 177.584 0.188 0.000 1.176 318 A CA 2.148 54.166 52.037 -0.030 0.000 0.631 318 A CB -0.570 18.216 19.000 -0.357 0.000 0.814 318 A HN 0.236 nan 8.150 nan 0.000 0.446 319 A N -0.833 122.025 122.820 0.063 0.000 2.014 319 A HA 0.139 4.459 4.320 -0.001 0.000 0.218 319 A C 2.052 179.839 177.584 0.338 0.000 1.163 319 A CA 1.374 53.586 52.037 0.291 0.000 0.652 319 A CB -0.559 18.511 19.000 0.116 0.000 0.808 319 A HN 0.371 nan 8.150 nan 0.000 0.449 320 V N -0.164 119.898 119.914 0.246 0.000 2.809 320 V HA -0.129 3.991 4.120 -0.001 0.000 0.256 320 V C 2.128 178.322 176.094 0.167 0.000 1.080 320 V CA 1.501 63.928 62.300 0.211 0.000 1.102 320 V CB -0.489 31.429 31.823 0.158 0.000 0.705 320 V HN 0.566 nan 8.190 nan 0.000 0.475 321 L N -0.723 120.619 121.223 0.198 0.000 2.556 321 L HA 0.496 4.836 4.340 -0.001 0.000 0.226 321 L C 0.929 177.899 176.870 0.166 0.000 1.089 321 L CA 0.700 55.642 54.840 0.169 0.000 0.864 321 L CB 0.290 42.454 42.059 0.174 0.000 1.067 321 L HN 0.451 nan 8.230 nan 0.000 0.477 322 G N 0.103 109.057 108.800 0.257 0.000 2.633 322 G HA2 0.238 4.198 3.960 -0.001 0.000 0.299 322 G HA3 0.238 4.198 3.960 -0.001 0.000 0.299 322 G C -1.584 173.505 174.900 0.316 0.000 1.501 322 G CA -0.750 44.452 45.100 0.169 0.000 0.887 322 G HN -0.003 nan 8.290 nan 0.000 0.561 323 D N 0.928 121.423 120.400 0.158 0.000 2.341 323 D HA -0.038 4.602 4.640 -0.001 0.000 0.235 323 D C 1.282 177.547 176.300 -0.057 0.000 1.265 323 D CA -0.308 53.750 54.000 0.098 0.000 0.888 323 D CB 1.124 41.910 40.800 -0.024 0.000 1.192 323 D HN 0.452 nan 8.370 nan 0.000 0.462 324 K N 0.045 120.115 120.400 -0.551 0.000 2.148 324 K HA -0.133 4.187 4.320 -0.001 0.000 0.204 324 K C 1.952 178.333 176.600 -0.365 0.000 1.050 324 K CA 0.610 56.309 56.287 -0.979 0.000 0.942 324 K CB -0.019 31.521 32.500 -1.599 0.000 0.724 324 K HN 0.320 nan 8.250 nan 0.000 0.446 325 R N 0.253 120.593 120.500 -0.266 0.000 2.249 325 R HA -0.078 4.262 4.340 -0.001 0.000 0.230 325 R C 2.187 178.411 176.300 -0.126 0.000 1.121 325 R CA 1.471 57.476 56.100 -0.159 0.000 0.997 325 R CB -0.114 30.110 30.300 -0.128 0.000 0.867 325 R HN 0.220 nan 8.270 nan 0.000 0.465 326 S N -1.139 114.464 115.700 -0.162 0.000 2.575 326 S HA 0.023 4.492 4.470 -0.001 0.000 0.215 326 S C 1.042 175.451 174.600 -0.320 0.000 0.966 326 S CA 0.026 58.081 58.200 -0.243 0.000 0.911 326 S CB 0.170 63.177 63.200 -0.322 0.000 0.780 326 S HN 0.330 nan 8.310 nan 0.000 0.514 327 Y N 0.539 120.828 120.300 -0.019 0.000 2.483 327 Y HA 0.544 5.094 4.550 -0.001 0.000 0.258 327 Y C 0.973 176.881 175.900 0.015 0.000 1.083 327 Y CA -0.378 57.740 58.100 0.031 0.000 1.283 327 Y CB 0.737 39.264 38.460 0.113 0.000 1.178 327 Y HN 0.271 nan 8.280 nan 0.000 0.515 328 S N -1.410 114.356 115.700 0.109 0.000 2.543 328 S HA 0.275 4.745 4.470 -0.001 0.000 0.274 328 S C -0.070 174.529 174.600 -0.002 0.000 1.149 328 S CA -0.607 57.629 58.200 0.059 0.000 0.866 328 S CB 1.502 64.750 63.200 0.079 0.000 1.111 328 S HN -0.110 nan 8.310 nan 0.000 0.457 329 S N 1.386 117.085 115.700 -0.002 0.000 2.614 329 S HA 0.302 4.772 4.470 -0.001 0.000 0.230 329 S C 0.507 175.099 174.600 -0.013 0.000 0.952 329 S CA -0.131 58.058 58.200 -0.018 0.000 0.949 329 S CB -0.110 63.081 63.200 -0.014 0.000 0.786 329 S HN 0.489 nan 8.310 nan 0.000 0.478 330 R N 0.064 120.562 120.500 -0.003 0.000 2.490 330 R HA 0.306 4.646 4.340 -0.001 0.000 0.278 330 R C 1.105 177.402 176.300 -0.005 0.000 1.069 330 R CA 0.132 56.236 56.100 0.006 0.000 1.080 330 R CB 0.727 31.044 30.300 0.027 0.000 1.030 330 R HN 0.096 nan 8.270 nan 0.000 0.491 331 T N 0.916 115.472 114.554 0.003 0.000 2.953 331 T HA 0.029 4.378 4.350 -0.001 0.000 0.247 331 T C 0.168 174.881 174.700 0.022 0.000 1.029 331 T CA 0.468 62.570 62.100 0.003 0.000 1.144 331 T CB 0.149 69.019 68.868 0.003 0.000 0.870 331 T HN 0.413 nan 8.240 nan 0.000 0.446 332 E N 1.898 122.117 120.200 0.030 0.000 2.428 332 E HA 0.173 4.523 4.350 -0.001 0.000 0.257 332 E C -2.304 174.337 176.600 0.070 0.000 1.197 332 E CA -1.614 54.813 56.400 0.046 0.000 0.974 332 E CB -0.209 29.514 29.700 0.039 0.000 0.976 332 E HN 0.184 nan 8.360 nan 0.000 0.463 333 P HA 0.107 nan 4.420 nan 0.000 0.272 333 P C -0.284 177.088 177.300 0.120 0.000 1.240 333 P CA -0.151 63.025 63.100 0.126 0.000 0.791 333 P CB 0.435 32.208 31.700 0.121 0.000 0.978 334 L N 0.538 121.853 121.223 0.155 0.000 2.397 334 L HA 0.202 4.542 4.340 -0.001 0.000 0.271 334 L C 1.201 178.134 176.870 0.105 0.000 1.148 334 L CA -0.296 54.625 54.840 0.135 0.000 0.825 334 L CB 0.332 42.495 42.059 0.172 0.000 1.117 334 L HN 0.498 nan 8.230 nan 0.000 0.456 335 S N 0.194 115.943 115.700 0.083 0.000 2.617 335 S HA 0.030 4.500 4.470 -0.001 0.000 0.259 335 S C 0.593 175.232 174.600 0.066 0.000 1.301 335 S CA -0.582 57.658 58.200 0.067 0.000 0.984 335 S CB 1.180 64.413 63.200 0.054 0.000 0.954 335 S HN 0.675 nan 8.310 nan 0.000 0.572 336 D N 0.572 121.007 120.400 0.058 0.000 2.104 336 D HA -0.082 4.557 4.640 -0.001 0.000 0.194 336 D C 1.785 178.110 176.300 0.042 0.000 0.994 336 D CA 1.607 55.640 54.000 0.055 0.000 0.830 336 D CB -0.180 40.651 40.800 0.053 0.000 0.959 336 D HN 0.705 nan 8.370 nan 0.000 0.452 337 E N 0.286 120.510 120.200 0.040 0.000 2.106 337 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 337 E C 1.841 178.461 176.600 0.034 0.000 0.984 337 E CA 0.827 57.247 56.400 0.034 0.000 0.806 337 E CB -0.113 29.607 29.700 0.034 0.000 0.750 337 E HN 0.411 nan 8.360 nan 0.000 0.458 338 E N -0.096 120.130 120.200 0.044 0.000 2.418 338 E HA -0.050 4.300 4.350 -0.001 0.000 0.197 338 E C 1.608 178.228 176.600 0.034 0.000 1.026 338 E CA 0.293 56.724 56.400 0.051 0.000 0.862 338 E CB 0.089 29.831 29.700 0.070 0.000 0.799 338 E HN 0.246 nan 8.360 nan 0.000 0.518 339 L N 0.491 121.725 121.223 0.017 0.000 2.168 339 L HA -0.077 4.263 4.340 -0.001 0.000 0.203 339 L C 1.785 178.626 176.870 -0.049 0.000 1.078 339 L CA 0.508 55.331 54.840 -0.029 0.000 0.780 339 L CB -0.107 41.936 42.059 -0.027 0.000 0.939 339 L HN 0.015 nan 8.230 nan 0.000 0.451 340 D N 0.613 121.000 120.400 -0.022 0.000 2.158 340 D HA -0.221 4.419 4.640 -0.001 0.000 0.197 340 D C 2.083 178.380 176.300 -0.005 0.000 0.995 340 D CA 1.269 55.260 54.000 -0.016 0.000 0.846 340 D CB 0.026 40.828 40.800 0.004 0.000 0.941 340 D HN 0.207 nan 8.370 nan 0.000 0.456 341 K N 0.150 120.556 120.400 0.010 0.000 2.025 341 K HA -0.038 4.282 4.320 -0.001 0.000 0.207 341 K C 2.238 178.856 176.600 0.030 0.000 1.049 341 K CA 0.589 56.893 56.287 0.028 0.000 0.933 341 K CB -0.086 32.442 32.500 0.046 0.000 0.714 341 K HN 0.130 nan 8.250 nan 0.000 0.438 342 I N 0.605 121.178 120.570 0.005 0.000 2.830 342 I HA -0.201 3.969 4.170 -0.001 0.000 0.263 342 I C 2.189 178.280 176.117 -0.043 0.000 1.230 342 I CA 0.481 61.767 61.300 -0.023 0.000 1.480 342 I CB -0.121 37.776 38.000 -0.172 0.000 1.095 342 I HN 0.179 nan 8.210 nan 0.000 0.455 343 A N 1.197 123.985 122.820 -0.052 0.000 1.832 343 A HA -0.208 4.112 4.320 -0.001 0.000 0.214 343 A C 2.397 179.971 177.584 -0.017 0.000 1.204 343 A CA 1.536 53.539 52.037 -0.056 0.000 0.606 343 A CB -0.525 18.433 19.000 -0.068 0.000 0.849 343 A HN 0.319 nan 8.150 nan 0.000 0.445 344 K N -0.301 120.099 120.400 -0.001 0.000 2.152 344 K HA -0.231 4.089 4.320 -0.001 0.000 0.206 344 K C 2.089 178.704 176.600 0.025 0.000 1.048 344 K CA 1.714 58.010 56.287 0.015 0.000 0.933 344 K CB -0.237 32.274 32.500 0.019 0.000 0.721 344 K HN 0.628 nan 8.250 nan 0.000 0.447 345 Q N 0.602 120.424 119.800 0.036 0.000 1.927 345 Q HA -0.148 4.192 4.340 -0.001 0.000 0.210 345 Q C 2.161 178.189 176.000 0.048 0.000 1.001 345 Q CA 2.131 57.969 55.803 0.058 0.000 0.862 345 Q CB -0.177 28.623 28.738 0.104 0.000 0.934 345 Q HN 0.364 nan 8.270 nan 0.000 0.420 346 L N 0.541 121.791 121.223 0.045 0.000 2.549 346 L HA -0.089 4.251 4.340 -0.001 0.000 0.229 346 L C 0.464 177.324 176.870 -0.016 0.000 1.158 346 L CA 0.133 54.990 54.840 0.029 0.000 0.842 346 L CB -0.265 41.813 42.059 0.032 0.000 0.952 346 L HN 0.451 nan 8.230 nan 0.000 0.452 347 N N -0.535 118.156 118.700 -0.016 0.000 2.901 347 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 347 N C -0.195 175.283 175.510 -0.053 0.000 1.044 347 N CA 0.713 53.742 53.050 -0.035 0.000 0.847 347 N CB -1.087 37.350 38.487 -0.084 0.000 1.127 347 N HN 0.238 nan 8.380 nan 0.000 0.562 348 L N -0.674 120.525 121.223 -0.040 0.000 2.397 348 L HA 0.732 5.072 4.340 -0.001 0.000 0.266 348 L C 1.692 178.547 176.870 -0.026 0.000 1.040 348 L CA -0.332 54.484 54.840 -0.040 0.000 0.800 348 L CB 0.907 42.938 42.059 -0.047 0.000 1.324 348 L HN 0.035 nan 8.230 nan 0.000 0.469 349 G N -0.914 107.871 108.800 -0.026 0.000 2.606 349 G HA2 0.280 4.240 3.960 -0.001 0.000 0.262 349 G HA3 0.280 4.240 3.960 -0.001 0.000 0.262 349 G C 0.424 175.260 174.900 -0.107 0.000 1.394 349 G CA -0.382 44.702 45.100 -0.027 0.000 1.044 349 G HN 0.401 nan 8.290 nan 0.000 0.553 350 R N -1.450 118.980 120.500 -0.117 0.000 2.127 350 R HA 0.102 4.442 4.340 -0.001 0.000 0.217 350 R C -0.331 175.608 176.300 -0.601 0.000 1.074 350 R CA 0.311 56.207 56.100 -0.340 0.000 0.991 350 R CB -0.039 30.131 30.300 -0.216 0.000 0.895 350 R HN 0.505 nan 8.270 nan 0.000 0.450 351 W N 0.205 121.452 121.300 -0.088 0.000 2.844 351 W HA 0.362 5.021 4.660 -0.001 0.000 0.340 351 W C -0.792 175.734 176.519 0.012 0.000 1.093 351 W CA -0.777 56.549 57.345 -0.033 0.000 1.212 351 W CB 1.240 30.689 29.460 -0.018 0.000 1.422 351 W HN -0.171 nan 8.180 nan 0.000 0.515 352 N N 1.954 120.860 118.700 0.343 0.000 2.430 352 N HA 0.340 5.080 4.740 -0.001 0.000 0.290 352 N C -1.869 173.792 175.510 0.253 0.000 1.063 352 N CA -0.604 52.562 53.050 0.193 0.000 0.883 352 N CB 1.572 40.128 38.487 0.116 0.000 1.465 352 N HN 0.285 nan 8.380 nan 0.000 0.493 353 F N 3.308 123.232 119.950 -0.043 0.000 2.385 353 F HA 0.479 5.006 4.527 -0.001 0.000 0.360 353 F C -1.274 174.427 175.800 -0.163 0.000 1.122 353 F CA -0.620 57.382 58.000 0.004 0.000 1.090 353 F CB 0.298 39.305 39.000 0.011 0.000 1.150 353 F HN 0.408 nan 8.300 nan 0.000 0.472 354 Y N 4.707 124.609 120.300 -0.663 0.000 2.328 354 Y HA 0.653 5.203 4.550 -0.001 0.000 0.337 354 Y C 0.557 175.850 175.900 -1.012 0.000 0.966 354 Y CA -0.495 57.210 58.100 -0.657 0.000 1.136 354 Y CB 1.622 39.849 38.460 -0.388 0.000 1.170 354 Y HN 0.763 nan 8.280 nan 0.000 0.470 355 G N 0.786 108.871 108.800 -1.191 0.000 3.086 355 G HA2 0.876 4.835 3.960 -0.001 0.000 0.282 355 G HA3 0.876 4.835 3.960 -0.001 0.000 0.282 355 G C -1.727 172.585 174.900 -0.980 0.000 1.343 355 G CA -0.744 43.667 45.100 -1.149 0.000 0.895 355 G HN 0.811 nan 8.290 nan 0.000 0.557 356 A N -1.098 121.499 122.820 -0.373 0.000 2.582 356 A HA 0.636 4.955 4.320 -0.001 0.000 0.297 356 A C -1.690 175.862 177.584 -0.053 0.000 1.059 356 A CA -0.503 51.395 52.037 -0.233 0.000 0.705 356 A CB 0.899 19.748 19.000 -0.251 0.000 1.279 356 A HN 0.793 nan 8.150 nan 0.000 0.404 357 L N 1.542 122.635 121.223 -0.217 0.000 2.317 357 L HA 0.695 5.035 4.340 -0.001 0.000 0.281 357 L C -1.215 175.470 176.870 -0.308 0.000 1.024 357 L CA -0.473 54.309 54.840 -0.098 0.000 0.810 357 L CB 1.373 43.425 42.059 -0.013 0.000 1.240 357 L HN 0.676 nan 8.230 nan 0.000 0.427 358 Y N 1.171 121.561 120.300 0.150 0.000 2.364 358 Y HA 0.828 5.378 4.550 -0.001 0.000 0.340 358 Y C 0.694 176.625 175.900 0.053 0.000 0.975 358 Y CA -0.611 57.569 58.100 0.133 0.000 1.089 358 Y CB 2.100 40.636 38.460 0.128 0.000 1.192 358 Y HN 0.745 nan 8.280 nan 0.000 0.454 359 G N 2.688 111.575 108.800 0.144 0.000 2.334 359 G HA2 0.103 4.062 3.960 -0.001 0.000 0.315 359 G HA3 0.103 4.062 3.960 -0.001 0.000 0.315 359 G C -3.440 171.479 174.900 0.031 0.000 1.284 359 G CA -1.435 43.704 45.100 0.065 0.000 0.985 359 G HN 0.319 nan 8.290 nan 0.000 0.504 360 P HA 0.256 nan 4.420 nan 0.000 0.275 360 P C 0.846 178.153 177.300 0.012 0.000 1.228 360 P CA -0.280 62.825 63.100 0.008 0.000 0.786 360 P CB 1.177 32.880 31.700 0.004 0.000 0.927 361 E N 3.935 124.138 120.200 0.005 0.000 2.065 361 E HA -0.214 4.136 4.350 -0.001 0.000 0.201 361 E C -0.838 175.772 176.600 0.017 0.000 1.016 361 E CA 2.401 58.804 56.400 0.004 0.000 0.818 361 E CB -1.840 27.860 29.700 0.001 0.000 0.749 361 E HN 0.334 nan 8.360 nan 0.000 0.453 362 P HA -0.213 nan 4.420 nan 0.000 0.222 362 P C 1.591 178.910 177.300 0.032 0.000 1.157 362 P CA 1.777 64.890 63.100 0.023 0.000 0.905 362 P CB -0.191 31.519 31.700 0.017 0.000 0.792 363 I N -2.208 118.383 120.570 0.035 0.000 2.296 363 I HA -0.118 4.051 4.170 -0.001 0.000 0.242 363 I C 2.731 178.887 176.117 0.064 0.000 1.087 363 I CA 0.786 62.115 61.300 0.048 0.000 1.393 363 I CB -0.427 37.602 38.000 0.048 0.000 1.093 363 I HN -0.213 nan 8.210 nan 0.000 0.421 364 R N 0.729 121.262 120.500 0.055 0.000 2.168 364 R HA -0.299 4.041 4.340 -0.001 0.000 0.242 364 R C 2.426 178.787 176.300 0.101 0.000 1.123 364 R CA 2.202 58.334 56.100 0.053 0.000 0.928 364 R CB -0.498 29.795 30.300 -0.012 0.000 0.873 364 R HN 0.238 nan 8.270 nan 0.000 0.434 365 R N -0.287 120.263 120.500 0.085 0.000 2.196 365 R HA -0.263 4.076 4.340 -0.001 0.000 0.244 365 R C 2.244 178.621 176.300 0.128 0.000 1.121 365 R CA 2.660 58.831 56.100 0.118 0.000 0.930 365 R CB -0.640 29.703 30.300 0.071 0.000 0.890 365 R HN 0.141 nan 8.270 nan 0.000 0.435 366 V N 0.922 120.886 119.914 0.084 0.000 2.270 366 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 366 V C 2.367 178.498 176.094 0.063 0.000 1.043 366 V CA 1.885 64.219 62.300 0.056 0.000 1.014 366 V CB -0.480 31.367 31.823 0.041 0.000 0.645 366 V HN 0.327 nan 8.190 nan 0.000 0.447 367 L N -0.786 120.495 121.223 0.097 0.000 1.971 367 L HA -0.291 4.048 4.340 -0.001 0.000 0.215 367 L C 2.472 179.418 176.870 0.128 0.000 1.072 367 L CA 2.536 57.446 54.840 0.116 0.000 0.758 367 L CB -0.750 41.400 42.059 0.152 0.000 0.889 367 L HN 0.564 nan 8.230 nan 0.000 0.433 368 W N 1.502 122.774 121.300 -0.048 0.000 2.325 368 W HA -0.240 4.420 4.660 -0.001 0.000 0.299 368 W C 2.174 178.609 176.519 -0.141 0.000 1.215 368 W CA 1.823 59.098 57.345 -0.117 0.000 1.244 368 W CB -0.003 29.393 29.460 -0.106 0.000 1.140 368 W HN 0.302 nan 8.180 nan 0.000 0.523 369 E N -0.460 119.634 120.200 -0.177 0.000 2.047 369 E HA -0.199 4.151 4.350 -0.001 0.000 0.191 369 E C 2.152 178.592 176.600 -0.266 0.000 0.987 369 E CA 1.973 58.194 56.400 -0.299 0.000 0.799 369 E CB -0.387 29.230 29.700 -0.140 0.000 0.752 369 E HN 0.039 nan 8.360 nan 0.000 0.449 370 T N 0.815 115.289 114.554 -0.134 0.000 2.699 370 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 370 T C 1.817 176.460 174.700 -0.094 0.000 1.036 370 T CA 1.148 63.196 62.100 -0.087 0.000 1.147 370 T CB -0.143 68.716 68.868 -0.016 0.000 0.862 370 T HN 0.098 nan 8.240 nan 0.000 0.446 371 I N 0.126 120.625 120.570 -0.118 0.000 2.193 371 I HA -0.105 4.065 4.170 -0.001 0.000 0.240 371 I C 2.582 178.612 176.117 -0.146 0.000 1.084 371 I CA 1.219 62.499 61.300 -0.033 0.000 1.365 371 I CB -0.274 37.742 38.000 0.027 0.000 1.064 371 I HN 0.105 nan 8.210 nan 0.000 0.410 372 K N 0.617 120.585 120.400 -0.719 0.000 2.015 372 K HA -0.313 4.007 4.320 -0.001 0.000 0.216 372 K C 1.810 178.208 176.600 -0.336 0.000 1.052 372 K CA 2.453 58.135 56.287 -1.009 0.000 0.937 372 K CB -0.391 31.174 32.500 -1.559 0.000 0.719 372 K HN 0.233 nan 8.250 nan 0.000 0.446 373 D N -0.456 119.756 120.400 -0.313 0.000 2.311 373 D HA -0.136 4.504 4.640 -0.001 0.000 0.212 373 D C 1.329 177.593 176.300 -0.059 0.000 0.972 373 D CA 1.172 55.077 54.000 -0.159 0.000 0.887 373 D CB 0.157 40.858 40.800 -0.165 0.000 0.915 373 D HN 0.304 nan 8.370 nan 0.000 0.497 374 A N -1.267 121.549 122.820 -0.008 0.000 2.063 374 A HA 0.147 4.467 4.320 -0.001 0.000 0.211 374 A C 1.531 179.068 177.584 -0.078 0.000 1.177 374 A CA 0.022 52.034 52.037 -0.042 0.000 0.759 374 A CB -0.427 18.541 19.000 -0.053 0.000 0.857 374 A HN 0.278 nan 8.150 nan 0.000 0.468 375 F N -0.129 119.812 119.950 -0.014 0.000 2.765 375 F HA 0.121 4.648 4.527 -0.001 0.000 0.302 375 F C 2.119 177.933 175.800 0.023 0.000 1.111 375 F CA 0.470 58.470 58.000 0.001 0.000 1.359 375 F CB 0.420 39.453 39.000 0.054 0.000 1.097 375 F HN 0.103 nan 8.300 nan 0.000 0.577 376 S N -0.183 115.626 115.700 0.182 0.000 2.522 376 S HA 0.020 4.489 4.470 -0.001 0.000 0.227 376 S C 2.185 176.803 174.600 0.030 0.000 0.986 376 S CA 0.676 58.946 58.200 0.116 0.000 0.929 376 S CB -0.139 63.106 63.200 0.075 0.000 0.769 376 S HN 0.339 nan 8.310 nan 0.000 0.529 377 A N 0.853 123.666 122.820 -0.012 0.000 2.209 377 A HA 0.212 4.531 4.320 -0.001 0.000 0.212 377 A C 0.704 178.264 177.584 -0.040 0.000 1.158 377 A CA 0.386 52.398 52.037 -0.042 0.000 0.742 377 A CB -0.331 18.623 19.000 -0.076 0.000 0.790 377 A HN 0.458 nan 8.150 nan 0.000 0.472 378 I N 1.239 121.795 120.570 -0.023 0.000 2.312 378 I HA 0.231 4.400 4.170 -0.001 0.000 0.290 378 I C -2.543 173.571 176.117 -0.006 0.000 1.008 378 I CA -2.243 59.047 61.300 -0.017 0.000 1.226 378 I CB 1.453 39.450 38.000 -0.006 0.000 1.371 378 I HN -0.029 nan 8.210 nan 0.000 0.468 379 P HA 0.100 nan 4.420 nan 0.000 0.268 379 P C 0.811 178.104 177.300 -0.011 0.000 1.205 379 P CA 0.435 63.530 63.100 -0.008 0.000 0.771 379 P CB 0.684 32.380 31.700 -0.006 0.000 0.858 380 G N 1.009 109.799 108.800 -0.016 0.000 2.148 380 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.254 380 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.254 380 G C 0.304 175.172 174.900 -0.052 0.000 0.981 380 G CA -0.037 45.050 45.100 -0.022 0.000 0.670 380 G HN 0.631 nan 8.290 nan 0.000 0.528 381 V N -0.065 119.801 119.914 -0.080 0.000 3.139 381 V HA 0.578 4.698 4.120 -0.001 0.000 0.307 381 V C 0.631 176.548 176.094 -0.295 0.000 1.095 381 V CA 0.749 62.935 62.300 -0.190 0.000 1.160 381 V CB 1.390 33.093 31.823 -0.200 0.000 1.003 381 V HN 0.394 nan 8.190 nan 0.000 0.489 382 K N 3.575 123.672 120.400 -0.505 0.000 2.550 382 K HA 0.433 4.752 4.320 -0.001 0.000 0.252 382 K C -1.940 174.187 176.600 -0.789 0.000 0.943 382 K CA -0.387 55.576 56.287 -0.539 0.000 0.806 382 K CB 1.788 34.098 32.500 -0.316 0.000 1.289 382 K HN 0.464 nan 8.250 nan 0.000 0.435 383 F N 2.926 122.605 119.950 -0.453 0.000 2.426 383 F HA 0.443 4.970 4.527 -0.001 0.000 0.348 383 F C -0.633 174.913 175.800 -0.423 0.000 1.124 383 F CA -0.523 57.314 58.000 -0.271 0.000 1.008 383 F CB 0.935 39.870 39.000 -0.107 0.000 1.139 383 F HN 0.315 nan 8.300 nan 0.000 0.452 384 Y N 3.015 123.460 120.300 0.243 0.000 2.391 384 Y HA 0.542 5.092 4.550 -0.001 0.000 0.341 384 Y C -0.619 175.452 175.900 0.286 0.000 0.965 384 Y CA -1.303 56.884 58.100 0.145 0.000 1.067 384 Y CB 1.244 39.754 38.460 0.083 0.000 1.199 384 Y HN 0.317 nan 8.280 nan 0.000 0.450 385 F N 3.228 123.286 119.950 0.180 0.000 2.378 385 F HA 0.369 4.896 4.527 -0.001 0.000 0.325 385 F C -1.326 174.508 175.800 0.056 0.000 1.097 385 F CA -3.249 54.776 58.000 0.041 0.000 1.079 385 F CB 0.825 39.799 39.000 -0.043 0.000 1.240 385 F HN 0.305 nan 8.300 nan 0.000 0.519 386 P HA -0.192 nan 4.420 nan 0.000 0.217 386 P C 1.236 178.595 177.300 0.099 0.000 1.148 386 P CA 1.747 64.904 63.100 0.095 0.000 0.834 386 P CB 0.266 31.981 31.700 0.024 0.000 0.783 387 E N -0.484 119.790 120.200 0.123 0.000 2.150 387 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 387 E C 1.001 177.663 176.600 0.105 0.000 0.985 387 E CA 0.993 57.455 56.400 0.102 0.000 0.814 387 E CB -0.705 29.061 29.700 0.109 0.000 0.752 387 E HN 0.405 nan 8.360 nan 0.000 0.466 388 D N 1.137 121.627 120.400 0.149 0.000 2.352 388 D HA -0.024 4.615 4.640 -0.001 0.000 0.232 388 D C 0.615 176.982 176.300 0.112 0.000 1.055 388 D CA 0.463 54.561 54.000 0.162 0.000 0.891 388 D CB 0.034 40.992 40.800 0.262 0.000 0.897 388 D HN 0.173 nan 8.370 nan 0.000 0.529 389 T N -2.381 112.202 114.554 0.049 0.000 2.930 389 T HA 0.552 4.901 4.350 -0.001 0.000 0.290 389 T C -2.807 171.886 174.700 -0.012 0.000 1.052 389 T CA -2.189 59.889 62.100 -0.035 0.000 1.017 389 T CB 1.853 70.678 68.868 -0.071 0.000 1.137 389 T HN -0.335 nan 8.240 nan 0.000 0.511 390 P HA 0.103 nan 4.420 nan 0.000 0.266 390 P C 0.910 178.213 177.300 0.005 0.000 1.193 390 P CA -0.086 63.011 63.100 -0.006 0.000 0.770 390 P CB 0.482 32.176 31.700 -0.010 0.000 0.836 391 E N 2.328 122.536 120.200 0.013 0.000 2.204 391 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 391 E C 1.014 177.624 176.600 0.017 0.000 0.990 391 E CA 1.094 57.504 56.400 0.016 0.000 0.821 391 E CB -0.127 29.584 29.700 0.017 0.000 0.750 391 E HN 0.467 nan 8.360 nan 0.000 0.477 392 N N 0.445 119.155 118.700 0.017 0.000 2.336 392 N HA -0.082 4.657 4.740 -0.001 0.000 0.189 392 N C 0.197 175.721 175.510 0.023 0.000 1.113 392 N CA 0.248 53.311 53.050 0.021 0.000 0.858 392 N CB -0.351 38.151 38.487 0.025 0.000 0.970 392 N HN -0.097 nan 8.380 nan 0.000 0.471 393 S N -0.768 114.942 115.700 0.017 0.000 2.566 393 S HA 0.058 4.528 4.470 -0.001 0.000 0.280 393 S C 1.472 176.087 174.600 0.025 0.000 1.343 393 S CA -0.543 57.669 58.200 0.020 0.000 1.036 393 S CB 1.006 64.210 63.200 0.007 0.000 0.866 393 S HN -0.052 nan 8.310 nan 0.000 0.526 394 V N 2.756 122.690 119.914 0.034 0.000 2.332 394 V HA -0.153 3.967 4.120 -0.001 0.000 0.248 394 V C 2.387 178.478 176.094 -0.004 0.000 1.055 394 V CA 2.020 64.313 62.300 -0.012 0.000 1.038 394 V CB -1.057 30.736 31.823 -0.049 0.000 0.651 394 V HN 0.879 nan 8.190 nan 0.000 0.450 395 L N 0.197 121.519 121.223 0.165 0.000 2.081 395 L HA -0.192 4.148 4.340 -0.001 0.000 0.212 395 L C 2.445 179.353 176.870 0.063 0.000 1.080 395 L CA 1.997 56.963 54.840 0.209 0.000 0.754 395 L CB -0.694 41.484 42.059 0.199 0.000 0.893 395 L HN 0.171 nan 8.230 nan 0.000 0.433 396 R N -1.562 118.959 120.500 0.035 0.000 2.148 396 R HA -0.036 4.304 4.340 -0.001 0.000 0.223 396 R C 2.042 178.336 176.300 -0.010 0.000 1.088 396 R CA 1.081 57.189 56.100 0.014 0.000 0.985 396 R CB -0.062 30.247 30.300 0.016 0.000 0.880 396 R HN 0.339 nan 8.270 nan 0.000 0.451 397 V N 0.476 120.374 119.914 -0.027 0.000 2.323 397 V HA -0.174 3.945 4.120 -0.001 0.000 0.244 397 V C 2.025 178.063 176.094 -0.093 0.000 1.041 397 V CA 1.594 63.859 62.300 -0.058 0.000 1.025 397 V CB -0.334 31.451 31.823 -0.064 0.000 0.656 397 V HN 0.284 nan 8.190 nan 0.000 0.451 398 R N 0.075 120.505 120.500 -0.116 0.000 2.276 398 R HA -0.091 4.248 4.340 -0.001 0.000 0.203 398 R C 1.836 178.104 176.300 -0.053 0.000 1.017 398 R CA 1.110 57.123 56.100 -0.145 0.000 1.010 398 R CB -0.330 29.811 30.300 -0.265 0.000 0.900 398 R HN 0.555 nan 8.270 nan 0.000 0.469 399 D N 1.254 121.646 120.400 -0.013 0.000 2.263 399 D HA -0.134 4.506 4.640 -0.001 0.000 0.208 399 D C 1.364 177.700 176.300 0.060 0.000 0.971 399 D CA 1.237 55.265 54.000 0.046 0.000 0.867 399 D CB 0.318 41.133 40.800 0.025 0.000 0.929 399 D HN 0.139 nan 8.370 nan 0.000 0.492 400 K N -1.229 119.145 120.400 -0.044 0.000 2.202 400 K HA 0.068 4.387 4.320 -0.001 0.000 0.201 400 K C 1.981 178.477 176.600 -0.172 0.000 1.051 400 K CA 0.879 57.087 56.287 -0.133 0.000 0.977 400 K CB 0.160 32.576 32.500 -0.140 0.000 0.792 400 K HN 0.014 nan 8.250 nan 0.000 0.469 401 T N 1.644 116.124 114.554 -0.122 0.000 2.867 401 T HA -0.006 4.344 4.350 -0.001 0.000 0.268 401 T C 1.470 176.153 174.700 -0.028 0.000 1.057 401 T CA 1.051 63.089 62.100 -0.103 0.000 1.136 401 T CB 0.005 68.804 68.868 -0.116 0.000 0.874 401 T HN 0.134 nan 8.240 nan 0.000 0.466 402 M N 1.351 120.965 119.600 0.024 0.000 2.551 402 M HA 0.179 4.659 4.480 -0.001 0.000 0.252 402 M C 1.257 177.622 176.300 0.108 0.000 1.219 402 M CA 0.262 55.670 55.300 0.179 0.000 0.978 402 M CB 0.181 32.937 32.600 0.260 0.000 1.533 402 M HN 0.284 nan 8.290 nan 0.000 0.474 403 Q N -1.181 118.463 119.800 -0.260 0.000 2.023 403 Q HA 0.325 4.665 4.340 -0.001 0.000 0.211 403 Q C 0.562 176.057 176.000 -0.842 0.000 0.787 403 Q CA 0.432 55.737 55.803 -0.830 0.000 1.035 403 Q CB 0.848 28.751 28.738 -1.391 0.000 1.221 403 Q HN 0.353 nan 8.270 nan 0.000 0.443 404 G N 1.227 109.789 108.800 -0.398 0.000 2.141 404 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.242 404 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.242 404 G C -0.089 174.593 174.900 -0.365 0.000 0.982 404 G CA 0.247 45.167 45.100 -0.300 0.000 0.662 404 G HN 0.405 nan 8.290 nan 0.000 0.527 405 I N 2.514 122.828 120.570 -0.426 0.000 2.354 405 I HA 0.366 4.536 4.170 -0.001 0.000 0.292 405 I C -1.855 174.017 176.117 -0.409 0.000 0.989 405 I CA -2.547 58.431 61.300 -0.537 0.000 1.188 405 I CB 1.944 39.664 38.000 -0.466 0.000 1.342 405 I HN -0.105 nan 8.210 nan 0.000 0.457 406 P HA 0.219 nan 4.420 nan 0.000 0.278 406 P C -0.518 176.623 177.300 -0.264 0.000 1.238 406 P CA -0.106 62.796 63.100 -0.330 0.000 0.794 406 P CB 1.449 32.973 31.700 -0.294 0.000 0.955 407 T N -0.907 113.480 114.554 -0.278 0.000 2.742 407 T HA 0.513 4.863 4.350 -0.001 0.000 0.282 407 T C -0.270 174.169 174.700 -0.435 0.000 1.025 407 T CA -0.298 61.697 62.100 -0.175 0.000 1.020 407 T CB 1.069 69.883 68.868 -0.090 0.000 1.317 407 T HN 0.285 nan 8.240 nan 0.000 0.538 408 Y N -1.019 119.298 120.300 0.029 0.000 2.666 408 Y HA 0.243 4.792 4.550 -0.001 0.000 0.260 408 Y C 1.274 177.141 175.900 -0.056 0.000 1.089 408 Y CA -0.559 57.541 58.100 -0.000 0.000 1.246 408 Y CB 0.348 38.843 38.460 0.058 0.000 1.353 408 Y HN 0.541 nan 8.280 nan 0.000 0.558 409 D N 0.908 121.346 120.400 0.063 0.000 2.182 409 D HA -0.169 4.470 4.640 -0.001 0.000 0.201 409 D C 1.405 177.697 176.300 -0.013 0.000 0.986 409 D CA 1.419 55.437 54.000 0.029 0.000 0.847 409 D CB -0.057 40.755 40.800 0.021 0.000 0.942 409 D HN 0.424 nan 8.370 nan 0.000 0.467 410 E N 0.041 120.211 120.200 -0.048 0.000 2.478 410 E HA -0.018 4.332 4.350 -0.001 0.000 0.198 410 E C 2.011 178.454 176.600 -0.262 0.000 1.046 410 E CA -0.097 56.277 56.400 -0.043 0.000 0.870 410 E CB 0.018 29.726 29.700 0.014 0.000 0.818 410 E HN 0.381 nan 8.360 nan 0.000 0.527 411 L N 0.904 121.959 121.223 -0.279 0.000 2.191 411 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 411 L C 2.479 179.133 176.870 -0.361 0.000 1.103 411 L CA 0.876 55.471 54.840 -0.410 0.000 0.769 411 L CB -0.187 41.701 42.059 -0.285 0.000 0.908 411 L HN 0.010 nan 8.230 nan 0.000 0.438 412 K N 0.260 120.560 120.400 -0.165 0.000 2.160 412 K HA -0.222 4.098 4.320 -0.001 0.000 0.206 412 K C 1.906 178.533 176.600 0.046 0.000 1.047 412 K CA 1.769 58.032 56.287 -0.039 0.000 0.930 412 K CB -0.315 32.210 32.500 0.041 0.000 0.720 412 K HN 0.639 nan 8.250 nan 0.000 0.450 413 W N 0.267 121.588 121.300 0.035 0.000 2.467 413 W HA -0.060 4.600 4.660 -0.001 0.000 0.275 413 W C 1.310 177.871 176.519 0.069 0.000 1.239 413 W CA 0.132 57.514 57.345 0.062 0.000 1.266 413 W CB -0.809 28.655 29.460 0.007 0.000 1.112 413 W HN -0.131 nan 8.180 nan 0.000 0.576 414 I N 1.933 122.353 120.570 -0.250 0.000 2.502 414 I HA -0.271 3.899 4.170 -0.001 0.000 0.258 414 I C 0.813 176.921 176.117 -0.015 0.000 1.172 414 I CA 1.496 62.653 61.300 -0.239 0.000 1.430 414 I CB -0.646 37.023 38.000 -0.552 0.000 1.086 414 I HN -0.157 nan 8.210 nan 0.000 0.440 415 D N 0.038 120.463 120.400 0.042 0.000 2.538 415 D HA -0.073 4.566 4.640 -0.001 0.000 0.234 415 D C 1.300 177.709 176.300 0.182 0.000 1.191 415 D CA 0.012 54.048 54.000 0.060 0.000 0.828 415 D CB -0.284 40.525 40.800 0.015 0.000 0.981 415 D HN 0.512 nan 8.370 nan 0.000 0.490 416 W N 0.840 122.191 121.300 0.085 0.000 2.465 416 W HA 0.002 4.661 4.660 -0.001 0.000 0.268 416 W C -0.564 175.997 176.519 0.069 0.000 1.242 416 W CA 0.645 58.055 57.345 0.109 0.000 1.248 416 W CB 0.460 30.005 29.460 0.141 0.000 1.118 416 W HN -0.030 nan 8.180 nan 0.000 0.587 417 L N -0.260 120.981 121.223 0.030 0.000 2.393 417 L HA 0.258 4.598 4.340 -0.001 0.000 0.260 417 L C -1.192 175.642 176.870 -0.061 0.000 1.002 417 L CA -2.262 52.529 54.840 -0.081 0.000 0.818 417 L CB 1.436 43.488 42.059 -0.010 0.000 1.369 417 L HN -0.419 nan 8.230 nan 0.000 0.412 418 P HA -0.237 nan 4.420 nan 0.000 0.211 418 P C -0.173 177.085 177.300 -0.069 0.000 0.948 418 P CA 1.539 64.603 63.100 -0.060 0.000 1.010 418 P CB 0.036 31.710 31.700 -0.044 0.000 0.737 419 N N 0.193 118.849 118.700 -0.073 0.000 3.229 419 N HA 0.195 4.935 4.740 -0.001 0.000 0.275 419 N C 0.383 175.772 175.510 -0.202 0.000 1.225 419 N CA -0.000 52.984 53.050 -0.109 0.000 1.119 419 N CB 0.189 38.634 38.487 -0.069 0.000 1.392 419 N HN 0.127 nan 8.380 nan 0.000 0.520 420 G N 0.525 109.197 108.800 -0.214 0.000 2.380 420 G HA2 0.416 4.376 3.960 -0.001 0.000 0.242 420 G HA3 0.416 4.376 3.960 -0.001 0.000 0.242 420 G C -0.359 174.230 174.900 -0.519 0.000 1.298 420 G CA -0.201 44.729 45.100 -0.283 0.000 0.878 420 G HN 0.462 nan 8.290 nan 0.000 0.542 421 A N 2.642 125.068 122.820 -0.657 0.000 2.520 421 A HA 0.722 5.042 4.320 -0.001 0.000 0.298 421 A C -0.693 176.645 177.584 -0.412 0.000 1.051 421 A CA -0.867 50.682 52.037 -0.814 0.000 0.690 421 A CB 1.433 19.725 19.000 -1.179 0.000 1.281 421 A HN 1.226 nan 8.150 nan 0.000 0.402 422 H N 0.274 119.422 119.070 0.129 0.000 2.573 422 H HA 0.856 5.411 4.556 -0.001 0.000 0.351 422 H C -1.311 173.990 175.328 -0.045 0.000 1.163 422 H CA -2.120 53.904 56.048 -0.039 0.000 1.205 422 H CB 1.317 30.975 29.762 -0.173 0.000 1.605 422 H HN 0.820 nan 8.280 nan 0.000 0.525 423 L N 2.082 123.301 121.223 -0.007 0.000 2.470 423 L HA 0.477 4.817 4.340 -0.001 0.000 0.268 423 L C -2.034 174.701 176.870 -0.226 0.000 0.964 423 L CA -0.539 54.293 54.840 -0.013 0.000 0.839 423 L CB 1.198 43.397 42.059 0.234 0.000 1.276 423 L HN 0.528 nan 8.230 nan 0.000 0.403 424 F N 5.246 125.199 119.950 0.004 0.000 2.410 424 F HA 0.441 4.968 4.527 -0.001 0.000 0.349 424 F C -0.343 175.587 175.800 0.217 0.000 1.117 424 F CA -0.147 57.881 58.000 0.047 0.000 1.104 424 F CB 1.285 40.220 39.000 -0.108 0.000 1.122 424 F HN 0.399 nan 8.300 nan 0.000 0.483 425 F N 2.730 122.803 119.950 0.204 0.000 2.388 425 F HA 0.473 5.000 4.527 -0.001 0.000 0.358 425 F C -0.132 175.759 175.800 0.152 0.000 1.122 425 F CA -0.637 57.429 58.000 0.110 0.000 1.056 425 F CB 0.968 39.947 39.000 -0.035 0.000 1.155 425 F HN 0.306 nan 8.300 nan 0.000 0.461 426 S N 7.967 123.465 115.700 -0.337 0.000 2.143 426 S HA 0.282 4.751 4.470 -0.001 0.000 0.188 426 S C -2.639 171.795 174.600 -0.277 0.000 1.431 426 S CA -1.088 57.029 58.200 -0.137 0.000 1.253 426 S CB -0.141 63.243 63.200 0.306 0.000 1.137 426 S HN 0.464 nan 8.310 nan 0.000 0.457 427 P HA 0.217 nan 4.420 nan 0.000 0.272 427 P C -0.566 176.610 177.300 -0.207 0.000 1.254 427 P CA -0.302 62.574 63.100 -0.372 0.000 0.795 427 P CB 0.628 32.060 31.700 -0.447 0.000 1.022 428 I N -0.419 120.071 120.570 -0.134 0.000 2.530 428 I HA 0.565 4.735 4.170 -0.001 0.000 0.297 428 I C 0.395 176.464 176.117 -0.080 0.000 1.011 428 I CA -1.125 60.108 61.300 -0.112 0.000 1.107 428 I CB 1.129 39.071 38.000 -0.097 0.000 1.285 428 I HN 0.406 nan 8.210 nan 0.000 0.436 429 A N 5.380 128.182 122.820 -0.029 0.000 2.384 429 A HA 0.649 4.968 4.320 -0.001 0.000 0.312 429 A C -0.215 177.429 177.584 0.100 0.000 1.113 429 A CA -0.767 51.270 52.037 0.000 0.000 0.779 429 A CB 1.224 20.210 19.000 -0.023 0.000 1.307 429 A HN 0.672 nan 8.150 nan 0.000 0.436 430 K N -0.147 120.347 120.400 0.157 0.000 2.380 430 K HA 0.274 4.593 4.320 -0.001 0.000 0.267 430 K C -0.256 176.373 176.600 0.047 0.000 0.990 430 K CA 0.094 56.446 56.287 0.109 0.000 0.946 430 K CB 0.512 33.088 32.500 0.127 0.000 0.937 430 K HN 0.353 nan 8.250 nan 0.000 0.491 431 V N 3.252 123.181 119.914 0.026 0.000 2.008 431 V HA 0.048 4.168 4.120 -0.001 0.000 0.262 431 V C -0.226 175.843 176.094 -0.042 0.000 1.580 431 V CA -0.031 62.260 62.300 -0.016 0.000 1.515 431 V CB -0.944 30.879 31.823 0.001 0.000 1.474 431 V HN 0.710 nan 8.190 nan 0.000 0.504 432 S N 0.988 116.656 115.700 -0.053 0.000 2.575 432 S HA 0.578 5.047 4.470 -0.001 0.000 0.278 432 S C 1.059 175.600 174.600 -0.099 0.000 1.139 432 S CA 0.040 58.202 58.200 -0.062 0.000 0.954 432 S CB 1.900 65.091 63.200 -0.014 0.000 1.054 432 S HN 0.503 nan 8.310 nan 0.000 0.483 433 G N 2.227 110.944 108.800 -0.139 0.000 2.469 433 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 433 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 433 G C 1.006 175.848 174.900 -0.096 0.000 1.150 433 G CA 1.206 46.200 45.100 -0.175 0.000 0.763 433 G HN 0.891 nan 8.290 nan 0.000 0.561 434 E N 0.223 120.399 120.200 -0.039 0.000 2.033 434 E HA -0.237 4.113 4.350 -0.001 0.000 0.199 434 E C 2.076 178.722 176.600 0.076 0.000 1.011 434 E CA 1.616 58.026 56.400 0.017 0.000 0.815 434 E CB -0.248 29.466 29.700 0.023 0.000 0.755 434 E HN 0.372 nan 8.360 nan 0.000 0.451 435 D N -0.747 119.715 120.400 0.103 0.000 2.144 435 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 435 D C 1.722 178.135 176.300 0.187 0.000 0.984 435 D CA 1.460 55.602 54.000 0.236 0.000 0.834 435 D CB -0.105 40.845 40.800 0.249 0.000 0.955 435 D HN 0.312 nan 8.370 nan 0.000 0.465 436 A N -0.082 122.752 122.820 0.023 0.000 1.897 436 A HA -0.113 4.207 4.320 -0.001 0.000 0.215 436 A C 2.095 179.704 177.584 0.041 0.000 1.181 436 A CA 1.119 53.114 52.037 -0.070 0.000 0.620 436 A CB -0.421 18.316 19.000 -0.438 0.000 0.821 436 A HN 0.153 nan 8.150 nan 0.000 0.443 437 M N -0.967 118.645 119.600 0.021 0.000 2.065 437 M HA -0.171 4.309 4.480 -0.001 0.000 0.259 437 M C 2.351 178.789 176.300 0.230 0.000 1.069 437 M CA 2.048 57.436 55.300 0.146 0.000 1.110 437 M CB -1.212 31.443 32.600 0.091 0.000 1.328 437 M HN 0.624 nan 8.290 nan 0.000 0.405 438 M N -0.467 119.266 119.600 0.221 0.000 2.108 438 M HA -0.281 4.199 4.480 -0.001 0.000 0.261 438 M C 2.233 178.744 176.300 0.351 0.000 1.066 438 M CA 1.770 57.253 55.300 0.305 0.000 1.107 438 M CB -0.239 32.592 32.600 0.385 0.000 1.356 438 M HN 0.297 nan 8.290 nan 0.000 0.406 439 Q N -1.068 118.824 119.800 0.153 0.000 2.124 439 Q HA -0.242 4.098 4.340 -0.001 0.000 0.202 439 Q C 1.894 177.968 176.000 0.122 0.000 0.977 439 Q CA 1.818 57.483 55.803 -0.230 0.000 0.850 439 Q CB -0.253 28.108 28.738 -0.628 0.000 0.901 439 Q HN 0.673 nan 8.270 nan 0.000 0.429 440 Y N 0.139 120.535 120.300 0.160 0.000 2.163 440 Y HA -0.163 4.386 4.550 -0.001 0.000 0.288 440 Y C 1.967 177.892 175.900 0.041 0.000 1.136 440 Y CA 1.435 59.635 58.100 0.167 0.000 1.147 440 Y CB -0.605 37.992 38.460 0.228 0.000 0.987 440 Y HN 0.138 nan 8.280 nan 0.000 0.509 441 A N -0.817 121.978 122.820 -0.042 0.000 1.930 441 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 441 A C 2.356 179.907 177.584 -0.055 0.000 1.175 441 A CA 1.782 53.746 52.037 -0.121 0.000 0.627 441 A CB -1.215 17.790 19.000 0.008 0.000 0.815 441 A HN 0.321 nan 8.150 nan 0.000 0.443 442 V N -0.160 119.783 119.914 0.048 0.000 2.358 442 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 442 V C 2.708 178.805 176.094 0.004 0.000 1.047 442 V CA 2.413 64.757 62.300 0.075 0.000 1.035 442 V CB -1.115 30.842 31.823 0.223 0.000 0.658 442 V HN 0.621 nan 8.190 nan 0.000 0.452 443 T N -0.850 113.697 114.554 -0.012 0.000 2.857 443 T HA -0.169 4.181 4.350 -0.001 0.000 0.266 443 T C 1.956 176.630 174.700 -0.044 0.000 1.048 443 T CA 1.322 63.407 62.100 -0.025 0.000 1.139 443 T CB -0.094 68.820 68.868 0.076 0.000 0.874 443 T HN 0.353 nan 8.240 nan 0.000 0.455 444 K N 1.112 121.408 120.400 -0.174 0.000 2.057 444 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 444 K C 2.403 178.949 176.600 -0.090 0.000 1.050 444 K CA 1.038 57.194 56.287 -0.218 0.000 0.935 444 K CB -0.037 32.155 32.500 -0.514 0.000 0.715 444 K HN 0.151 nan 8.250 nan 0.000 0.439 445 K N 0.240 120.596 120.400 -0.074 0.000 2.044 445 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 445 K C 2.042 178.656 176.600 0.024 0.000 1.049 445 K CA 1.427 57.704 56.287 -0.016 0.000 0.927 445 K CB 0.102 32.600 32.500 -0.003 0.000 0.713 445 K HN -0.010 nan 8.250 nan 0.000 0.443 446 R N 0.262 120.765 120.500 0.004 0.000 2.090 446 R HA -0.037 4.302 4.340 -0.001 0.000 0.228 446 R C 2.459 178.809 176.300 0.083 0.000 1.110 446 R CA 0.924 57.044 56.100 0.033 0.000 0.973 446 R CB -1.327 28.891 30.300 -0.136 0.000 0.869 446 R HN 0.344 nan 8.270 nan 0.000 0.440 447 C N 1.279 120.603 119.300 0.040 0.000 2.401 447 C HA -0.104 4.356 4.460 -0.001 0.000 0.276 447 C C 2.697 177.746 174.990 0.097 0.000 1.233 447 C CA 0.750 59.811 59.018 0.072 0.000 1.753 447 C CB -0.515 27.280 27.740 0.093 0.000 2.029 447 C HN 0.448 nan 8.230 nan 0.000 0.478 448 Q N 0.667 120.515 119.800 0.081 0.000 2.046 448 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 448 Q C 1.999 178.049 176.000 0.084 0.000 0.975 448 Q CA 1.399 57.247 55.803 0.074 0.000 0.836 448 Q CB -0.653 28.115 28.738 0.050 0.000 0.896 448 Q HN 0.699 nan 8.270 nan 0.000 0.428 449 E N 0.472 120.739 120.200 0.112 0.000 2.147 449 E HA -0.189 4.161 4.350 -0.001 0.000 0.199 449 E C 1.545 178.201 176.600 0.093 0.000 1.005 449 E CA 1.229 57.697 56.400 0.113 0.000 0.810 449 E CB -0.096 29.743 29.700 0.231 0.000 0.736 449 E HN 0.323 nan 8.360 nan 0.000 0.460 450 A N 0.024 122.959 122.820 0.192 0.000 2.238 450 A HA 0.253 4.572 4.320 -0.001 0.000 0.208 450 A C 1.628 179.268 177.584 0.093 0.000 1.177 450 A CA 0.753 52.892 52.037 0.170 0.000 0.804 450 A CB -0.152 19.008 19.000 0.266 0.000 0.823 450 A HN 0.325 nan 8.150 nan 0.000 0.482 451 G N -1.083 107.766 108.800 0.082 0.000 2.198 451 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.257 451 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.257 451 G C -0.103 174.856 174.900 0.097 0.000 1.042 451 G CA 0.434 45.578 45.100 0.073 0.000 0.791 451 G HN 0.422 nan 8.290 nan 0.000 0.502 452 L N 0.116 121.406 121.223 0.112 0.000 2.342 452 L HA 0.435 4.774 4.340 -0.001 0.000 0.271 452 L C -0.064 176.890 176.870 0.139 0.000 1.008 452 L CA -0.938 53.983 54.840 0.134 0.000 0.818 452 L CB 1.354 43.484 42.059 0.120 0.000 1.296 452 L HN 0.059 nan 8.230 nan 0.000 0.427 453 D N 1.142 121.651 120.400 0.180 0.000 2.382 453 D HA 0.047 4.686 4.640 -0.001 0.000 0.245 453 D C -0.628 175.702 176.300 0.050 0.000 1.120 453 D CA 0.165 54.257 54.000 0.154 0.000 0.890 453 D CB 1.290 42.237 40.800 0.245 0.000 1.201 453 D HN 0.287 nan 8.370 nan 0.000 0.433 454 Y N 2.715 122.966 120.300 -0.082 0.000 2.436 454 Y HA 0.328 4.878 4.550 -0.001 0.000 0.336 454 Y C -0.523 175.154 175.900 -0.373 0.000 1.049 454 Y CA -0.050 57.948 58.100 -0.170 0.000 1.294 454 Y CB 0.176 38.551 38.460 -0.142 0.000 1.179 454 Y HN 0.187 nan 8.280 nan 0.000 0.520 455 I N 6.250 126.118 120.570 -1.170 0.000 2.533 455 I HA 0.774 4.943 4.170 -0.001 0.000 0.290 455 I C 0.072 175.550 176.117 -1.065 0.000 1.056 455 I CA -0.794 59.887 61.300 -1.033 0.000 1.057 455 I CB 2.103 39.664 38.000 -0.732 0.000 1.240 455 I HN 0.816 nan 8.210 nan 0.000 0.423 456 G N 2.776 111.162 108.800 -0.691 0.000 2.523 456 G HA2 0.705 4.665 3.960 -0.001 0.000 0.291 456 G HA3 0.705 4.665 3.960 -0.001 0.000 0.291 456 G C -1.461 173.417 174.900 -0.036 0.000 1.450 456 G CA -0.549 44.368 45.100 -0.305 0.000 0.790 456 G HN 0.550 nan 8.290 nan 0.000 0.496 457 T N -1.137 113.401 114.554 -0.027 0.000 2.909 457 T HA 0.656 5.006 4.350 -0.001 0.000 0.299 457 T C -1.122 173.501 174.700 -0.129 0.000 1.073 457 T CA -0.626 61.516 62.100 0.070 0.000 0.999 457 T CB 1.755 70.655 68.868 0.053 0.000 1.098 457 T HN 0.375 nan 8.240 nan 0.000 0.477 458 F N 2.120 122.073 119.950 0.006 0.000 2.410 458 F HA 0.501 5.028 4.527 -0.001 0.000 0.349 458 F C 1.334 177.165 175.800 0.051 0.000 1.117 458 F CA -0.746 57.225 58.000 -0.047 0.000 1.104 458 F CB 1.429 40.340 39.000 -0.149 0.000 1.122 458 F HN 0.695 nan 8.300 nan 0.000 0.483 459 T N 0.458 115.141 114.554 0.214 0.000 2.767 459 T HA 0.513 4.863 4.350 -0.001 0.000 0.284 459 T C -0.479 174.312 174.700 0.152 0.000 0.973 459 T CA -0.858 61.350 62.100 0.179 0.000 0.996 459 T CB 1.020 69.958 68.868 0.115 0.000 0.927 459 T HN 0.300 nan 8.240 nan 0.000 0.456 460 V N 4.512 124.529 119.914 0.172 0.000 2.313 460 V HA 0.458 4.578 4.120 -0.001 0.000 0.252 460 V C 1.481 177.640 176.094 0.109 0.000 1.112 460 V CA -0.565 61.831 62.300 0.160 0.000 0.984 460 V CB -0.605 31.349 31.823 0.219 0.000 1.157 460 V HN 1.137 nan 8.190 nan 0.000 0.493 461 G N 2.748 111.600 108.800 0.086 0.000 2.684 461 G HA2 0.251 4.211 3.960 -0.001 0.000 0.255 461 G HA3 0.251 4.211 3.960 -0.001 0.000 0.255 461 G C 0.766 175.715 174.900 0.082 0.000 1.219 461 G CA -0.296 44.844 45.100 0.067 0.000 0.901 461 G HN 0.646 nan 8.290 nan 0.000 0.548 462 M N -0.503 119.140 119.600 0.072 0.000 2.082 462 M HA -0.039 4.441 4.480 -0.001 0.000 0.258 462 M C 2.130 178.469 176.300 0.065 0.000 1.069 462 M CA 1.852 57.195 55.300 0.071 0.000 1.102 462 M CB 0.005 32.643 32.600 0.063 0.000 1.336 462 M HN 0.504 nan 8.290 nan 0.000 0.404 463 R N -0.621 119.917 120.500 0.064 0.000 2.549 463 R HA 0.179 4.518 4.340 -0.001 0.000 0.344 463 R C -0.943 175.393 176.300 0.060 0.000 0.979 463 R CA 0.097 56.230 56.100 0.055 0.000 1.140 463 R CB 0.700 31.029 30.300 0.048 0.000 1.377 463 R HN 0.468 nan 8.270 nan 0.000 0.541 464 E N -0.275 119.970 120.200 0.076 0.000 2.413 464 E HA 0.404 4.753 4.350 -0.001 0.000 0.277 464 E C -0.990 175.680 176.600 0.117 0.000 0.958 464 E CA -0.780 55.672 56.400 0.086 0.000 0.779 464 E CB 1.420 31.168 29.700 0.079 0.000 1.278 464 E HN -0.136 nan 8.360 nan 0.000 0.456 465 M N 1.895 121.569 119.600 0.122 0.000 2.204 465 M HA 0.328 4.807 4.480 -0.001 0.000 0.293 465 M C -1.391 175.013 176.300 0.174 0.000 0.994 465 M CA -0.826 54.582 55.300 0.181 0.000 0.925 465 M CB 1.798 34.515 32.600 0.194 0.000 1.577 465 M HN 0.611 nan 8.290 nan 0.000 0.439 466 H N 2.274 121.324 119.070 -0.034 0.000 3.015 466 H HA 0.119 4.674 4.556 -0.001 0.000 0.268 466 H C -0.195 175.099 175.328 -0.057 0.000 1.113 466 H CA 0.376 56.345 56.048 -0.131 0.000 1.479 466 H CB -0.135 29.435 29.762 -0.320 0.000 1.493 466 H HN 0.315 nan 8.280 nan 0.000 0.486 467 H N 5.537 124.536 119.070 -0.119 0.000 2.872 467 H HA 0.095 4.651 4.556 -0.001 0.000 0.273 467 H C -0.447 174.765 175.328 -0.192 0.000 1.205 467 H CA -0.893 54.963 56.048 -0.319 0.000 1.342 467 H CB -0.212 29.316 29.762 -0.390 0.000 1.469 467 H HN 0.481 nan 8.280 nan 0.000 0.487 468 I N 7.324 127.962 120.570 0.113 0.000 2.256 468 I HA 0.025 4.194 4.170 -0.001 0.000 0.294 468 I C 0.302 176.531 176.117 0.188 0.000 1.127 468 I CA -0.572 60.829 61.300 0.168 0.000 1.247 468 I CB 0.087 38.160 38.000 0.121 0.000 1.460 468 I HN 0.180 nan 8.210 nan 0.000 0.511 469 V N 5.689 125.719 119.914 0.193 0.000 2.397 469 V HA -0.008 4.112 4.120 -0.001 0.000 0.262 469 V C 0.658 176.780 176.094 0.046 0.000 1.047 469 V CA -0.173 62.178 62.300 0.086 0.000 1.003 469 V CB 0.434 32.378 31.823 0.202 0.000 1.037 469 V HN 0.754 nan 8.190 nan 0.000 0.480 470 C N 7.296 126.499 119.300 -0.162 0.000 2.400 470 C HA 0.375 4.834 4.460 -0.001 0.000 0.457 470 C C 0.843 175.719 174.990 -0.189 0.000 1.020 470 C CA -0.884 57.999 59.018 -0.225 0.000 1.258 470 C CB -1.907 25.505 27.740 -0.547 0.000 1.532 470 C HN 0.676 nan 8.230 nan 0.000 0.537 471 I N 2.910 123.435 120.570 -0.074 0.000 2.578 471 I HA 0.112 4.281 4.170 -0.001 0.000 0.286 471 I C 0.537 176.768 176.117 0.190 0.000 1.126 471 I CA 0.732 62.061 61.300 0.049 0.000 1.380 471 I CB 0.186 38.233 38.000 0.078 0.000 1.408 471 I HN 0.410 nan 8.210 nan 0.000 0.532 472 V N 8.355 128.400 119.914 0.218 0.000 2.547 472 V HA 0.807 4.927 4.120 -0.001 0.000 0.299 472 V C -0.790 175.498 176.094 0.323 0.000 1.040 472 V CA -0.419 62.036 62.300 0.259 0.000 0.913 472 V CB 1.508 33.509 31.823 0.296 0.000 0.992 472 V HN 0.596 nan 8.190 nan 0.000 0.449 473 F N 2.434 122.447 119.950 0.105 0.000 2.654 473 F HA 0.571 5.098 4.527 -0.001 0.000 0.308 473 F C -0.878 174.940 175.800 0.030 0.000 1.108 473 F CA -1.240 56.802 58.000 0.070 0.000 0.957 473 F CB 1.324 40.361 39.000 0.062 0.000 1.309 473 F HN 0.496 nan 8.300 nan 0.000 0.446 474 N N 2.588 121.402 118.700 0.191 0.000 2.400 474 N HA 0.067 4.806 4.740 -0.001 0.000 0.267 474 N C 0.727 176.346 175.510 0.182 0.000 1.208 474 N CA -0.076 53.024 53.050 0.082 0.000 0.951 474 N CB 0.834 39.370 38.487 0.082 0.000 1.227 474 N HN 0.856 nan 8.380 nan 0.000 0.488 475 K N 1.896 122.301 120.400 0.008 0.000 2.585 475 K HA -0.067 4.253 4.320 -0.001 0.000 0.194 475 K C 0.329 177.054 176.600 0.208 0.000 1.037 475 K CA 1.154 57.505 56.287 0.107 0.000 0.964 475 K CB 0.174 32.500 32.500 -0.290 0.000 0.787 475 K HN 0.296 nan 8.250 nan 0.000 0.488 476 K N 0.936 121.422 120.400 0.143 0.000 2.537 476 K HA 0.070 4.389 4.320 -0.001 0.000 0.206 476 K C -0.824 175.841 176.600 0.108 0.000 1.041 476 K CA -0.169 56.197 56.287 0.132 0.000 1.090 476 K CB 0.612 33.163 32.500 0.085 0.000 0.833 476 K HN 0.098 nan 8.250 nan 0.000 0.493 477 D N 1.227 121.706 120.400 0.130 0.000 2.464 477 D HA 0.140 4.779 4.640 -0.001 0.000 0.243 477 D C 0.957 177.317 176.300 0.101 0.000 1.104 477 D CA -0.296 53.765 54.000 0.101 0.000 0.883 477 D CB 0.947 41.806 40.800 0.098 0.000 1.050 477 D HN -0.012 nan 8.370 nan 0.000 0.524 478 L N 3.292 124.561 121.223 0.077 0.000 2.042 478 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 478 L C 2.395 179.291 176.870 0.042 0.000 1.076 478 L CA 1.063 55.940 54.840 0.062 0.000 0.749 478 L CB -0.211 41.875 42.059 0.045 0.000 0.893 478 L HN 0.516 nan 8.230 nan 0.000 0.432 479 I N -0.663 119.928 120.570 0.034 0.000 2.163 479 I HA -0.354 3.816 4.170 -0.001 0.000 0.243 479 I C 2.754 178.884 176.117 0.021 0.000 1.085 479 I CA 1.664 62.975 61.300 0.018 0.000 1.347 479 I CB -0.214 37.793 38.000 0.011 0.000 1.044 479 I HN 0.397 nan 8.210 nan 0.000 0.408 480 Q N 1.302 121.127 119.800 0.041 0.000 2.083 480 Q HA -0.205 4.134 4.340 -0.001 0.000 0.198 480 Q C 2.107 178.111 176.000 0.008 0.000 0.969 480 Q CA 1.356 57.187 55.803 0.048 0.000 0.838 480 Q CB 0.062 28.855 28.738 0.091 0.000 0.900 480 Q HN 0.372 nan 8.270 nan 0.000 0.436 481 K N 0.130 120.531 120.400 0.001 0.000 2.103 481 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 481 K C 2.264 178.809 176.600 -0.092 0.000 1.048 481 K CA 1.541 57.754 56.287 -0.124 0.000 0.930 481 K CB -0.110 32.380 32.500 -0.016 0.000 0.716 481 K HN 0.185 nan 8.250 nan 0.000 0.444 482 R N 0.934 121.425 120.500 -0.015 0.000 2.081 482 R HA -0.053 4.287 4.340 -0.001 0.000 0.235 482 R C 2.223 178.558 176.300 0.059 0.000 1.131 482 R CA 1.122 57.233 56.100 0.018 0.000 0.960 482 R CB -0.020 30.290 30.300 0.016 0.000 0.856 482 R HN 0.080 nan 8.270 nan 0.000 0.436 483 K N 0.310 120.736 120.400 0.043 0.000 2.103 483 K HA -0.123 4.197 4.320 -0.001 0.000 0.207 483 K C 2.064 178.750 176.600 0.144 0.000 1.048 483 K CA 1.227 57.571 56.287 0.095 0.000 0.930 483 K CB -0.206 32.323 32.500 0.048 0.000 0.716 483 K HN 0.082 nan 8.250 nan 0.000 0.444 484 V N 1.534 121.450 119.914 0.004 0.000 2.358 484 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 484 V C 2.407 178.467 176.094 -0.057 0.000 1.047 484 V CA 1.583 63.830 62.300 -0.089 0.000 1.035 484 V CB -0.472 31.136 31.823 -0.357 0.000 0.658 484 V HN 0.352 nan 8.190 nan 0.000 0.452 485 Q N -1.358 118.448 119.800 0.011 0.000 2.030 485 Q HA -0.302 4.038 4.340 -0.001 0.000 0.204 485 Q C 2.047 178.119 176.000 0.121 0.000 0.986 485 Q CA 2.548 58.432 55.803 0.135 0.000 0.843 485 Q CB -0.352 28.476 28.738 0.151 0.000 0.904 485 Q HN 0.785 nan 8.270 nan 0.000 0.420 486 W N 1.222 122.511 121.300 -0.018 0.000 2.318 486 W HA -0.270 4.389 4.660 -0.001 0.000 0.313 486 W C 1.904 178.380 176.519 -0.073 0.000 1.221 486 W CA 1.691 59.020 57.345 -0.027 0.000 1.266 486 W CB -0.482 28.961 29.460 -0.027 0.000 1.150 486 W HN 0.212 nan 8.180 nan 0.000 0.496 487 L N 0.568 121.757 121.223 -0.057 0.000 2.012 487 L HA -0.213 4.127 4.340 -0.001 0.000 0.210 487 L C 2.490 179.054 176.870 -0.511 0.000 1.073 487 L CA 2.708 57.340 54.840 -0.346 0.000 0.748 487 L CB -1.084 40.923 42.059 -0.087 0.000 0.891 487 L HN 0.155 nan 8.230 nan 0.000 0.431 488 M N -0.102 119.244 119.600 -0.423 0.000 2.084 488 M HA -0.213 4.267 4.480 -0.001 0.000 0.259 488 M C 2.373 178.365 176.300 -0.512 0.000 1.072 488 M CA 1.899 56.854 55.300 -0.575 0.000 1.107 488 M CB -0.592 31.478 32.600 -0.884 0.000 1.299 488 M HN 0.180 nan 8.290 nan 0.000 0.413 489 R N -1.009 119.283 120.500 -0.345 0.000 2.139 489 R HA -0.141 4.199 4.340 -0.001 0.000 0.243 489 R C 1.931 178.060 176.300 -0.285 0.000 1.145 489 R CA 1.963 57.954 56.100 -0.182 0.000 0.976 489 R CB -1.325 28.958 30.300 -0.029 0.000 0.866 489 R HN 0.520 nan 8.270 nan 0.000 0.449 490 T N 1.536 115.770 114.554 -0.534 0.000 2.809 490 T HA 0.005 4.354 4.350 -0.001 0.000 0.260 490 T C 2.099 176.547 174.700 -0.420 0.000 1.039 490 T CA 0.591 62.354 62.100 -0.562 0.000 1.141 490 T CB -0.163 68.086 68.868 -1.031 0.000 0.869 490 T HN 0.088 nan 8.240 nan 0.000 0.437 491 L N 0.601 121.499 121.223 -0.542 0.000 1.989 491 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 491 L C 2.523 179.228 176.870 -0.274 0.000 1.071 491 L CA 1.423 55.908 54.840 -0.593 0.000 0.749 491 L CB -0.684 40.587 42.059 -1.314 0.000 0.890 491 L HN 0.236 nan 8.230 nan 0.000 0.431 492 I N -0.155 120.321 120.570 -0.157 0.000 2.143 492 I HA -0.397 3.773 4.170 -0.001 0.000 0.245 492 I C 2.120 178.284 176.117 0.078 0.000 1.068 492 I CA 1.621 63.009 61.300 0.146 0.000 1.326 492 I CB -0.509 37.559 38.000 0.114 0.000 1.028 492 I HN 0.337 nan 8.210 nan 0.000 0.412 493 D N 0.546 120.938 120.400 -0.014 0.000 2.084 493 D HA -0.156 4.484 4.640 -0.001 0.000 0.196 493 D C 1.875 178.175 176.300 -0.000 0.000 0.985 493 D CA 1.171 55.164 54.000 -0.011 0.000 0.826 493 D CB -0.448 40.327 40.800 -0.041 0.000 0.978 493 D HN 0.236 nan 8.370 nan 0.000 0.456 494 D N -0.154 120.233 120.400 -0.022 0.000 2.116 494 D HA -0.140 4.500 4.640 -0.001 0.000 0.193 494 D C 2.185 178.550 176.300 0.108 0.000 0.998 494 D CA 0.753 54.764 54.000 0.017 0.000 0.836 494 D CB -0.432 40.361 40.800 -0.013 0.000 0.951 494 D HN 0.214 nan 8.370 nan 0.000 0.449 495 C N 0.717 120.145 119.300 0.214 0.000 2.440 495 C HA 0.023 4.483 4.460 -0.001 0.000 0.278 495 C C 2.835 177.946 174.990 0.203 0.000 1.295 495 C CA 0.528 59.802 59.018 0.427 0.000 1.738 495 C CB -1.026 27.055 27.740 0.568 0.000 1.987 495 C HN 0.363 nan 8.230 nan 0.000 0.492 496 A N 0.948 123.823 122.820 0.092 0.000 1.845 496 A HA 0.034 4.353 4.320 -0.001 0.000 0.215 496 A C 2.391 179.933 177.584 -0.071 0.000 1.195 496 A CA 2.081 54.109 52.037 -0.014 0.000 0.616 496 A CB -1.168 17.822 19.000 -0.018 0.000 0.832 496 A HN 0.589 nan 8.150 nan 0.000 0.443 497 A N -0.551 122.239 122.820 -0.051 0.000 2.139 497 A HA -0.166 4.154 4.320 -0.001 0.000 0.221 497 A C 1.651 179.146 177.584 -0.147 0.000 1.159 497 A CA 1.590 53.582 52.037 -0.074 0.000 0.662 497 A CB -0.537 18.438 19.000 -0.042 0.000 0.796 497 A HN 0.590 nan 8.150 nan 0.000 0.463 498 N N -1.220 117.343 118.700 -0.228 0.000 2.203 498 N HA 0.182 4.922 4.740 -0.001 0.000 0.207 498 N C 0.875 175.889 175.510 -0.826 0.000 1.130 498 N CA 0.804 53.540 53.050 -0.523 0.000 0.861 498 N CB 0.617 38.709 38.487 -0.658 0.000 1.005 498 N HN 0.579 nan 8.380 nan 0.000 0.507 499 G N 0.647 109.156 108.800 -0.484 0.000 2.149 499 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.235 499 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.235 499 G C -0.679 174.019 174.900 -0.336 0.000 1.018 499 G CA -0.356 44.500 45.100 -0.407 0.000 0.728 499 G HN 0.195 nan 8.290 nan 0.000 0.508 500 W N -0.109 121.172 121.300 -0.032 0.000 2.656 500 W HA 0.707 5.366 4.660 -0.001 0.000 0.327 500 W C 0.464 176.927 176.519 -0.093 0.000 1.041 500 W CA -0.993 56.330 57.345 -0.036 0.000 1.229 500 W CB 1.894 31.359 29.460 0.008 0.000 1.397 500 W HN 0.492 nan 8.180 nan 0.000 0.479 501 G N 1.562 110.426 108.800 0.108 0.000 2.489 501 G HA2 0.591 4.550 3.960 -0.001 0.000 0.327 501 G HA3 0.591 4.550 3.960 -0.001 0.000 0.327 501 G C -1.219 173.722 174.900 0.069 0.000 1.189 501 G CA -0.530 44.545 45.100 -0.042 0.000 0.962 501 G HN 0.244 nan 8.290 nan 0.000 0.486 502 E N -0.935 119.316 120.200 0.084 0.000 2.248 502 E HA 0.308 4.657 4.350 -0.001 0.000 0.272 502 E C 0.096 176.776 176.600 0.134 0.000 1.008 502 E CA -0.613 55.804 56.400 0.029 0.000 0.856 502 E CB 1.399 31.066 29.700 -0.054 0.000 1.120 502 E HN 0.569 nan 8.360 nan 0.000 0.397 503 Y N 1.926 122.169 120.300 -0.096 0.000 2.523 503 Y HA 0.308 4.858 4.550 -0.001 0.000 0.279 503 Y C 0.262 176.094 175.900 -0.114 0.000 1.139 503 Y CA -0.016 58.016 58.100 -0.114 0.000 1.296 503 Y CB 0.484 38.811 38.460 -0.222 0.000 1.045 503 Y HN 0.395 nan 8.280 nan 0.000 0.538 504 R N -0.008 120.168 120.500 -0.541 0.000 2.824 504 R HA 0.479 4.819 4.340 -0.001 0.000 0.267 504 R C -1.741 174.279 176.300 -0.466 0.000 1.035 504 R CA 0.262 55.917 56.100 -0.741 0.000 0.887 504 R CB 0.515 29.960 30.300 -1.424 0.000 1.262 504 R HN 0.283 nan 8.270 nan 0.000 0.487 505 T N -1.251 113.078 114.554 -0.375 0.000 2.649 505 T HA 0.322 4.672 4.350 -0.001 0.000 0.305 505 T C -1.151 173.677 174.700 0.212 0.000 1.409 505 T CA -0.926 61.192 62.100 0.030 0.000 1.021 505 T CB 0.450 69.473 68.868 0.258 0.000 1.726 505 T HN 0.657 nan 8.240 nan 0.000 0.475 506 H N 0.257 119.590 119.070 0.437 0.000 2.607 506 H HA 0.382 4.937 4.556 -0.001 0.000 0.367 506 H C 1.261 176.698 175.328 0.183 0.000 1.181 506 H CA -0.323 55.971 56.048 0.410 0.000 1.402 506 H CB 0.899 31.009 29.762 0.579 0.000 1.474 506 H HN 0.574 nan 8.280 nan 0.000 0.596 507 L N 2.642 123.696 121.223 -0.281 0.000 2.051 507 L HA -0.264 4.075 4.340 -0.001 0.000 0.214 507 L C 2.405 179.177 176.870 -0.163 0.000 1.076 507 L CA 1.784 56.379 54.840 -0.408 0.000 0.758 507 L CB -0.607 40.777 42.059 -1.126 0.000 0.890 507 L HN 0.664 nan 8.230 nan 0.000 0.433 508 A N -1.634 121.225 122.820 0.065 0.000 2.235 508 A HA -0.008 4.311 4.320 -0.001 0.000 0.208 508 A C 1.244 178.504 177.584 -0.539 0.000 1.172 508 A CA 0.722 52.680 52.037 -0.131 0.000 0.786 508 A CB -0.343 18.454 19.000 -0.339 0.000 0.804 508 A HN 0.434 nan 8.150 nan 0.000 0.479 509 F N -2.155 117.965 119.950 0.285 0.000 2.798 509 F HA 0.296 4.823 4.527 -0.001 0.000 0.328 509 F C 1.760 177.682 175.800 0.203 0.000 1.098 509 F CA -0.348 57.789 58.000 0.227 0.000 1.172 509 F CB -0.331 38.799 39.000 0.216 0.000 1.072 509 F HN 0.035 nan 8.300 nan 0.000 0.555 510 M N 0.166 119.937 119.600 0.285 0.000 2.065 510 M HA -0.221 4.259 4.480 -0.001 0.000 0.259 510 M C 1.626 178.064 176.300 0.231 0.000 1.069 510 M CA 1.872 57.294 55.300 0.202 0.000 1.110 510 M CB -0.501 32.161 32.600 0.103 0.000 1.328 510 M HN 0.101 nan 8.290 nan 0.000 0.405 511 D N 0.088 120.651 120.400 0.272 0.000 2.092 511 D HA -0.213 4.426 4.640 -0.001 0.000 0.193 511 D C 1.957 178.425 176.300 0.280 0.000 0.994 511 D CA 1.448 55.635 54.000 0.312 0.000 0.828 511 D CB -0.483 40.541 40.800 0.374 0.000 0.963 511 D HN 0.495 nan 8.370 nan 0.000 0.450 512 Q N 0.275 120.244 119.800 0.281 0.000 2.061 512 Q HA -0.172 4.168 4.340 -0.001 0.000 0.204 512 Q C 2.454 178.598 176.000 0.240 0.000 0.984 512 Q CA 1.081 57.037 55.803 0.255 0.000 0.846 512 Q CB -0.118 28.790 28.738 0.283 0.000 0.902 512 Q HN 0.216 nan 8.270 nan 0.000 0.421 513 I N -0.007 120.724 120.570 0.269 0.000 2.179 513 I HA -0.305 3.865 4.170 -0.001 0.000 0.242 513 I C 2.423 178.738 176.117 0.329 0.000 1.088 513 I CA 1.132 62.590 61.300 0.263 0.000 1.357 513 I CB -0.123 38.038 38.000 0.269 0.000 1.051 513 I HN 0.365 nan 8.210 nan 0.000 0.409 514 M N 0.481 120.273 119.600 0.320 0.000 2.159 514 M HA -0.215 4.264 4.480 -0.001 0.000 0.263 514 M C 1.992 178.491 176.300 0.332 0.000 1.063 514 M CA 1.723 57.237 55.300 0.356 0.000 1.110 514 M CB -0.344 32.413 32.600 0.262 0.000 1.374 514 M HN 0.089 nan 8.290 nan 0.000 0.411 515 E N -0.989 119.366 120.200 0.258 0.000 2.409 515 E HA -0.111 4.238 4.350 -0.001 0.000 0.198 515 E C 1.595 178.294 176.600 0.164 0.000 1.024 515 E CA 1.468 57.991 56.400 0.205 0.000 0.861 515 E CB -0.495 29.313 29.700 0.179 0.000 0.788 515 E HN 0.516 nan 8.360 nan 0.000 0.521 516 T N -0.631 114.013 114.554 0.150 0.000 2.904 516 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 516 T C -0.103 174.552 174.700 -0.075 0.000 1.059 516 T CA 0.680 62.782 62.100 0.003 0.000 1.137 516 T CB -0.230 68.590 68.868 -0.079 0.000 0.879 516 T HN 0.202 nan 8.240 nan 0.000 0.467 517 Y N 2.976 123.339 120.300 0.106 0.000 2.826 517 Y HA 0.230 4.779 4.550 -0.001 0.000 0.371 517 Y C 0.900 176.894 175.900 0.157 0.000 1.252 517 Y CA -1.000 57.154 58.100 0.091 0.000 1.813 517 Y CB -0.597 37.879 38.460 0.025 0.000 1.913 517 Y HN 0.239 nan 8.280 nan 0.000 0.447 518 N N -1.560 117.278 118.700 0.230 0.000 2.279 518 N HA -0.053 4.687 4.740 -0.001 0.000 0.226 518 N C -0.302 175.325 175.510 0.195 0.000 1.126 518 N CA -0.577 52.594 53.050 0.201 0.000 0.846 518 N CB -0.265 38.297 38.487 0.125 0.000 1.050 518 N HN 0.417 nan 8.380 nan 0.000 0.502 519 W N 2.499 123.850 121.300 0.084 0.000 2.293 519 W HA 0.071 4.730 4.660 -0.001 0.000 0.342 519 W C 0.840 177.400 176.519 0.067 0.000 1.274 519 W CA 0.758 58.137 57.345 0.057 0.000 1.290 519 W CB 0.039 29.525 29.460 0.045 0.000 1.176 519 W HN 0.463 nan 8.180 nan 0.000 0.570 520 N N 5.330 123.495 118.700 -0.893 0.000 2.686 520 N HA -0.358 4.382 4.740 -0.001 0.000 0.261 520 N C -0.203 175.149 175.510 -0.262 0.000 1.001 520 N CA 0.887 53.483 53.050 -0.757 0.000 0.764 520 N CB -1.116 36.696 38.487 -1.126 0.000 0.898 520 N HN 0.814 nan 8.380 nan 0.000 0.544 521 N N -0.549 118.056 118.700 -0.157 0.000 2.735 521 N HA -0.190 4.550 4.740 -0.001 0.000 0.248 521 N C -0.296 175.229 175.510 0.025 0.000 1.083 521 N CA 1.391 54.410 53.050 -0.051 0.000 0.703 521 N CB -1.566 36.884 38.487 -0.062 0.000 1.005 521 N HN 0.632 nan 8.380 nan 0.000 0.550 522 S N -2.626 113.126 115.700 0.086 0.000 3.593 522 S HA -0.238 4.231 4.470 -0.001 0.000 0.301 522 S C 1.341 176.052 174.600 0.185 0.000 1.209 522 S CA 1.122 59.422 58.200 0.165 0.000 0.878 522 S CB -1.532 61.748 63.200 0.134 0.000 1.000 522 S HN 0.823 nan 8.310 nan 0.000 0.578 523 S N 0.130 115.935 115.700 0.175 0.000 2.407 523 S HA -0.204 4.266 4.470 -0.001 0.000 0.235 523 S C 1.334 176.099 174.600 0.276 0.000 1.036 523 S CA 1.888 60.206 58.200 0.196 0.000 1.013 523 S CB -0.342 62.961 63.200 0.172 0.000 0.820 523 S HN 0.623 nan 8.310 nan 0.000 0.476 524 F N 1.517 121.577 119.950 0.183 0.000 2.051 524 F HA -0.003 4.524 4.527 -0.001 0.000 0.296 524 F C 1.974 177.881 175.800 0.177 0.000 1.122 524 F CA 1.712 59.813 58.000 0.168 0.000 1.201 524 F CB -0.785 38.299 39.000 0.140 0.000 0.978 524 F HN 0.319 nan 8.300 nan 0.000 0.472 525 L N 0.892 122.236 121.223 0.201 0.000 2.046 525 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 525 L C 2.434 179.327 176.870 0.039 0.000 1.077 525 L CA 1.678 56.565 54.840 0.079 0.000 0.747 525 L CB -0.879 41.284 42.059 0.174 0.000 0.896 525 L HN 0.036 nan 8.230 nan 0.000 0.432 526 R N -1.124 119.434 120.500 0.097 0.000 2.073 526 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 526 R C 2.276 178.615 176.300 0.066 0.000 1.134 526 R CA 1.831 57.982 56.100 0.085 0.000 0.952 526 R CB -1.306 29.054 30.300 0.099 0.000 0.850 526 R HN 0.465 nan 8.270 nan 0.000 0.433 527 F N 2.517 122.431 119.950 -0.060 0.000 2.171 527 F HA -0.134 4.392 4.527 -0.001 0.000 0.300 527 F C 1.965 177.670 175.800 -0.158 0.000 1.090 527 F CA 1.228 59.172 58.000 -0.092 0.000 1.293 527 F CB -0.245 38.703 39.000 -0.088 0.000 1.013 527 F HN -0.049 nan 8.300 nan 0.000 0.486 528 N N 0.920 119.484 118.700 -0.228 0.000 2.084 528 N HA -0.195 4.545 4.740 -0.001 0.000 0.190 528 N C 1.782 177.122 175.510 -0.285 0.000 1.030 528 N CA 1.840 54.673 53.050 -0.363 0.000 0.849 528 N CB -0.419 37.844 38.487 -0.373 0.000 1.012 528 N HN 0.515 nan 8.380 nan 0.000 0.423 529 E N 0.321 120.432 120.200 -0.148 0.000 2.085 529 E HA -0.134 4.216 4.350 -0.001 0.000 0.194 529 E C 2.041 178.575 176.600 -0.109 0.000 0.994 529 E CA 0.887 57.246 56.400 -0.069 0.000 0.801 529 E CB -0.022 29.706 29.700 0.047 0.000 0.743 529 E HN 0.072 nan 8.360 nan 0.000 0.453 530 V N 1.470 121.290 119.914 -0.158 0.000 2.287 530 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 530 V C 2.295 178.252 176.094 -0.229 0.000 1.053 530 V CA 1.646 63.845 62.300 -0.168 0.000 1.027 530 V CB -0.429 31.286 31.823 -0.180 0.000 0.646 530 V HN 0.272 nan 8.190 nan 0.000 0.447 531 L N -0.350 120.645 121.223 -0.379 0.000 2.046 531 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 531 L C 2.570 179.301 176.870 -0.231 0.000 1.077 531 L CA 1.831 56.456 54.840 -0.358 0.000 0.747 531 L CB -0.705 41.050 42.059 -0.507 0.000 0.896 531 L HN 0.299 nan 8.230 nan 0.000 0.432 532 K N 0.985 121.258 120.400 -0.212 0.000 1.978 532 K HA -0.195 4.125 4.320 -0.001 0.000 0.214 532 K C 1.808 178.355 176.600 -0.088 0.000 1.049 532 K CA 1.804 58.003 56.287 -0.146 0.000 0.939 532 K CB -0.393 32.027 32.500 -0.133 0.000 0.721 532 K HN 0.147 nan 8.250 nan 0.000 0.441 533 N N 0.277 118.940 118.700 -0.062 0.000 2.417 533 N HA -0.150 4.589 4.740 -0.001 0.000 0.187 533 N C 1.346 176.837 175.510 -0.032 0.000 1.027 533 N CA 1.192 54.228 53.050 -0.024 0.000 0.891 533 N CB -0.190 38.297 38.487 -0.001 0.000 0.956 533 N HN 0.427 nan 8.380 nan 0.000 0.442 534 A N 0.259 123.042 122.820 -0.061 0.000 1.903 534 A HA -0.005 4.315 4.320 -0.001 0.000 0.213 534 A C 2.259 179.820 177.584 -0.038 0.000 1.185 534 A CA 1.207 53.213 52.037 -0.052 0.000 0.628 534 A CB -0.265 18.689 19.000 -0.077 0.000 0.830 534 A HN 0.196 nan 8.150 nan 0.000 0.446 535 V N -3.353 116.532 119.914 -0.049 0.000 3.471 535 V HA 0.221 4.341 4.120 -0.001 0.000 0.258 535 V C 0.235 176.321 176.094 -0.013 0.000 1.192 535 V CA 1.235 63.517 62.300 -0.030 0.000 1.116 535 V CB 0.186 31.984 31.823 -0.043 0.000 0.792 535 V HN 0.284 nan 8.190 nan 0.000 0.459 536 D N 0.538 120.928 120.400 -0.017 0.000 2.441 536 D HA 0.407 5.047 4.640 -0.001 0.000 0.287 536 D C -1.868 174.442 176.300 0.018 0.000 1.198 536 D CA -2.020 51.982 54.000 0.003 0.000 0.894 536 D CB 1.616 42.412 40.800 -0.007 0.000 1.070 536 D HN 0.152 nan 8.370 nan 0.000 0.499 537 P HA -0.117 nan 4.420 nan 0.000 0.213 537 P C 0.985 178.313 177.300 0.046 0.000 1.170 537 P CA 1.033 64.149 63.100 0.028 0.000 0.902 537 P CB 0.330 32.044 31.700 0.024 0.000 0.789 538 N N -1.272 117.462 118.700 0.056 0.000 2.550 538 N HA 0.009 4.748 4.740 -0.001 0.000 0.186 538 N C 0.961 176.537 175.510 0.110 0.000 1.110 538 N CA 1.320 54.416 53.050 0.076 0.000 0.912 538 N CB -0.576 37.959 38.487 0.080 0.000 0.968 538 N HN 0.184 nan 8.380 nan 0.000 0.448 539 G N 1.799 110.661 108.800 0.104 0.000 2.351 539 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.297 539 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.297 539 G C 0.720 175.708 174.900 0.148 0.000 1.054 539 G CA 0.610 45.788 45.100 0.131 0.000 1.123 539 G HN 0.489 nan 8.290 nan 0.000 0.512 540 I N -2.649 117.984 120.570 0.104 0.000 3.790 540 I HA 0.437 4.606 4.170 -0.001 0.000 0.305 540 I C 0.856 177.016 176.117 0.073 0.000 1.253 540 I CA -0.265 61.109 61.300 0.124 0.000 1.355 540 I CB 0.082 38.180 38.000 0.163 0.000 1.137 540 I HN 0.087 nan 8.210 nan 0.000 0.435 541 I N 3.541 124.120 120.570 0.016 0.000 2.436 541 I HA 0.264 4.433 4.170 -0.001 0.000 0.289 541 I C 1.272 177.336 176.117 -0.088 0.000 1.083 541 I CA -0.371 60.908 61.300 -0.035 0.000 1.372 541 I CB -0.421 37.545 38.000 -0.056 0.000 1.408 541 I HN 0.429 nan 8.210 nan 0.000 0.516 542 A N 7.872 130.648 122.820 -0.074 0.000 2.462 542 A HA -0.143 4.177 4.320 -0.001 0.000 0.294 542 A C -1.910 175.597 177.584 -0.128 0.000 1.461 542 A CA -0.360 51.629 52.037 -0.080 0.000 0.765 542 A CB -1.894 16.848 19.000 -0.430 0.000 1.071 542 A HN 0.587 nan 8.150 nan 0.000 0.401 543 P HA 0.274 nan 4.420 nan 0.000 0.261 543 P C 1.242 178.065 177.300 -0.794 0.000 1.183 543 P CA 1.755 64.525 63.100 -0.550 0.000 0.761 543 P CB 0.448 31.600 31.700 -0.913 0.000 0.785 544 G N 2.118 110.146 108.800 -1.286 0.000 2.213 544 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.236 544 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.236 544 G C 0.262 174.684 174.900 -0.797 0.000 0.991 544 G CA 0.163 44.118 45.100 -1.908 0.000 0.629 544 G HN 0.733 nan 8.290 nan 0.000 0.517 545 K N 1.513 121.675 120.400 -0.396 0.000 2.472 545 K HA 0.442 4.762 4.320 -0.001 0.000 0.280 545 K C 1.267 177.724 176.600 -0.239 0.000 1.028 545 K CA 1.177 57.356 56.287 -0.180 0.000 1.045 545 K CB 0.031 32.418 32.500 -0.188 0.000 0.902 545 K HN 0.839 nan 8.250 nan 0.000 0.478 546 S N 2.780 118.392 115.700 -0.146 0.000 3.380 546 S HA -0.194 4.276 4.470 -0.001 0.000 0.300 546 S C 0.905 175.460 174.600 -0.074 0.000 1.255 546 S CA 1.195 59.335 58.200 -0.100 0.000 0.963 546 S CB -2.054 61.074 63.200 -0.119 0.000 1.106 546 S HN 1.427 nan 8.310 nan 0.000 0.629 547 G N -1.222 107.485 108.800 -0.155 0.000 2.159 547 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.256 547 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.256 547 G C 0.005 174.812 174.900 -0.155 0.000 0.977 547 G CA 0.016 45.070 45.100 -0.076 0.000 0.652 547 G HN 1.292 nan 8.290 nan 0.000 0.531 548 V N 0.734 120.463 119.914 -0.309 0.000 2.339 548 V HA 0.509 4.629 4.120 -0.001 0.000 0.261 548 V C 0.153 176.043 176.094 -0.341 0.000 1.058 548 V CA -0.441 61.732 62.300 -0.212 0.000 0.897 548 V CB -0.003 31.701 31.823 -0.198 0.000 1.052 548 V HN 0.300 nan 8.190 nan 0.000 0.480 549 W N 7.031 128.309 121.300 -0.037 0.000 2.433 549 W HA 0.513 5.172 4.660 -0.001 0.000 0.315 549 W C -1.952 174.522 176.519 -0.075 0.000 1.087 549 W CA -2.261 55.011 57.345 -0.122 0.000 1.205 549 W CB 1.194 30.540 29.460 -0.190 0.000 1.288 549 W HN 0.318 nan 8.180 nan 0.000 0.504 550 P HA -0.002 nan 4.420 nan 0.000 0.274 550 P C 0.845 178.275 177.300 0.217 0.000 1.231 550 P CA 0.045 63.245 63.100 0.167 0.000 0.790 550 P CB 1.376 33.176 31.700 0.166 0.000 0.951 551 S N 1.276 117.066 115.700 0.151 0.000 2.419 551 S HA -0.231 4.238 4.470 -0.001 0.000 0.235 551 S C 1.536 176.203 174.600 0.111 0.000 1.019 551 S CA 1.026 59.303 58.200 0.128 0.000 0.982 551 S CB -0.935 62.321 63.200 0.095 0.000 0.789 551 S HN 0.580 nan 8.310 nan 0.000 0.490 552 Q N -0.245 119.628 119.800 0.121 0.000 2.436 552 Q HA 0.000 4.340 4.340 -0.001 0.000 0.209 552 Q C -0.428 175.539 176.000 -0.056 0.000 0.965 552 Q CA 0.558 56.379 55.803 0.030 0.000 0.910 552 Q CB -0.723 28.009 28.738 -0.010 0.000 0.980 552 Q HN 0.723 nan 8.270 nan 0.000 0.491 553 Y N 1.883 122.199 120.300 0.026 0.000 2.518 553 Y HA 0.265 4.815 4.550 -0.001 0.000 0.344 553 Y C 0.453 176.330 175.900 -0.037 0.000 0.982 553 Y CA -0.844 57.254 58.100 -0.002 0.000 1.234 553 Y CB 1.160 39.519 38.460 -0.169 0.000 1.114 553 Y HN -0.048 nan 8.280 nan 0.000 0.515 554 S N 2.910 118.703 115.700 0.155 0.000 2.561 554 S HA -0.104 4.366 4.470 -0.001 0.000 0.294 554 S C 1.385 175.931 174.600 -0.090 0.000 1.294 554 S CA -0.196 58.025 58.200 0.035 0.000 1.055 554 S CB 0.351 63.552 63.200 0.002 0.000 0.819 554 S HN 0.745 nan 8.310 nan 0.000 0.503 555 H N 3.346 122.395 119.070 -0.034 0.000 2.395 555 H HA -0.041 4.515 4.556 -0.001 0.000 0.299 555 H C 2.062 177.329 175.328 -0.102 0.000 1.070 555 H CA 1.663 57.650 56.048 -0.102 0.000 1.356 555 H CB -0.207 29.552 29.762 -0.006 0.000 1.401 555 H HN 0.457 nan 8.280 nan 0.000 0.524 556 V N 0.819 120.755 119.914 0.036 0.000 2.343 556 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 556 V C 2.430 178.448 176.094 -0.128 0.000 1.051 556 V CA 2.147 64.431 62.300 -0.027 0.000 1.036 556 V CB -0.721 31.085 31.823 -0.028 0.000 0.654 556 V HN 0.464 nan 8.190 nan 0.000 0.451 557 T N -1.554 112.861 114.554 -0.231 0.000 2.777 557 T HA -0.196 4.153 4.350 -0.001 0.000 0.266 557 T C 1.484 175.821 174.700 -0.605 0.000 1.040 557 T CA 1.881 63.686 62.100 -0.491 0.000 1.141 557 T CB -0.293 68.166 68.868 -0.683 0.000 0.868 557 T HN 0.627 nan 8.240 nan 0.000 0.444 558 W N 1.015 122.126 121.300 -0.316 0.000 2.735 558 W HA 0.333 4.993 4.660 -0.001 0.000 0.264 558 W C 0.985 177.354 176.519 -0.249 0.000 1.233 558 W CA -0.673 56.410 57.345 -0.437 0.000 1.408 558 W CB 0.249 29.068 29.460 -1.068 0.000 1.038 558 W HN -0.137 nan 8.180 nan 0.000 0.603 559 K N 1.461 121.854 120.400 -0.011 0.000 2.397 559 K HA 0.249 4.569 4.320 -0.001 0.000 0.265 559 K C -0.327 176.405 176.600 0.221 0.000 0.982 559 K CA 0.411 56.819 56.287 0.202 0.000 0.931 559 K CB 0.522 33.136 32.500 0.191 0.000 0.943 559 K HN -0.039 nan 8.250 nan 0.000 0.501 560 L N 0.000 121.385 121.223 0.270 0.000 2.949 560 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 560 L CA 0.000 54.962 54.840 0.204 0.000 0.813 560 L CB 0.000 42.190 42.059 0.218 0.000 0.961 560 L HN 0.000 nan 8.230 nan 0.000 0.502