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 2x5f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNPLAQSLNE QLQQSNATAF AMLSDLGQNM FYPKGILSQS AEAKSTTYNA DATA SEQUENCE TIGMATNKDG KMFASSLDAM FNDLTPDEIF PYAPPQGIEE LRDLWQQKML DATA SEQUENCE RDNPELSIDN MSRPIVTNAL THGLSLVGDL FVNQDDTILL PEHNWGNYKL DATA SEQUENCE VFNTRNGANL QTYPIFDKDG HYTTDSLVEA LQSYNKDKVI MILNYPNNPT DATA SEQUENCE GYTPTHKEVT TIVEAIKALA NKGTKVIAVV DDAYYGLFYE DVYTQSLFTA DATA SEQUENCE LTNLHSNAIL PIRLDGATKE FFAWGFRVGF MTFGTSDQTT KEVLEAKVKG DATA SEQUENCE LIRSNISSGP LPTQSAVKHV LKNNKQFDKE IEQNIQTLKE RYEVTKEVVY DATA SEQUENCE ADQYHSHWQA YDFNSGYFMA IKVHDVDPEA LRKHLIDKYS IGVIALNATD DATA SEQUENCE IRIAFSCVEK DDIPHVFDSI AKAIDDLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 N N 4.729 123.362 118.700 -0.111 0.000 2.454 2 N HA 0.166 4.907 4.740 0.001 0.000 0.254 2 N C -2.060 173.270 175.510 -0.300 0.000 1.228 2 N CA -0.567 52.312 53.050 -0.286 0.000 0.900 2 N CB 1.356 39.437 38.487 -0.676 0.000 1.089 2 N HN 0.408 nan 8.380 nan 0.000 0.449 3 P HA -0.127 nan 4.420 nan 0.000 0.216 3 P C 1.525 178.693 177.300 -0.220 0.000 1.153 3 P CA 1.249 64.235 63.100 -0.191 0.000 0.858 3 P CB 0.213 31.822 31.700 -0.150 0.000 0.789 4 L N -1.258 119.746 121.223 -0.364 0.000 2.083 4 L HA -0.150 4.191 4.340 0.001 0.000 0.209 4 L C 2.513 179.279 176.870 -0.173 0.000 1.083 4 L CA 1.506 56.178 54.840 -0.280 0.000 0.752 4 L CB -1.124 40.732 42.059 -0.339 0.000 0.899 4 L HN -0.048 nan 8.230 nan 0.000 0.433 5 A N -0.553 122.107 122.820 -0.267 0.000 1.898 5 A HA -0.259 4.061 4.320 0.001 0.000 0.216 5 A C 2.244 179.831 177.584 0.005 0.000 1.181 5 A CA 1.596 53.631 52.037 -0.003 0.000 0.620 5 A CB -0.474 18.563 19.000 0.061 0.000 0.819 5 A HN 0.418 nan 8.150 nan 0.000 0.442 6 Q N -0.563 119.206 119.800 -0.052 0.000 2.084 6 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 6 Q C 2.362 178.333 176.000 -0.048 0.000 0.978 6 Q CA 1.812 57.591 55.803 -0.040 0.000 0.844 6 Q CB -0.209 28.494 28.738 -0.057 0.000 0.898 6 Q HN 0.645 nan 8.270 nan 0.000 0.426 7 S N -0.329 115.341 115.700 -0.050 0.000 2.353 7 S HA -0.137 4.333 4.470 0.001 0.000 0.222 7 S C 1.827 176.417 174.600 -0.018 0.000 1.035 7 S CA 1.173 59.350 58.200 -0.037 0.000 1.025 7 S CB -0.301 62.879 63.200 -0.032 0.000 0.902 7 S HN 0.438 nan 8.310 nan 0.000 0.440 8 L N 1.506 122.738 121.223 0.014 0.000 2.042 8 L HA -0.144 4.196 4.340 0.001 0.000 0.210 8 L C 2.413 179.299 176.870 0.028 0.000 1.076 8 L CA 1.300 56.165 54.840 0.042 0.000 0.749 8 L CB -0.765 41.349 42.059 0.092 0.000 0.893 8 L HN 0.320 nan 8.230 nan 0.000 0.432 9 N N -0.266 118.446 118.700 0.019 0.000 2.120 9 N HA -0.165 4.575 4.740 0.001 0.000 0.188 9 N C 1.762 177.104 175.510 -0.280 0.000 1.024 9 N CA 1.076 54.089 53.050 -0.061 0.000 0.852 9 N CB -0.191 38.288 38.487 -0.015 0.000 1.003 9 N HN 0.346 nan 8.380 nan 0.000 0.424 10 E N 1.084 121.170 120.200 -0.190 0.000 2.072 10 E HA -0.141 4.209 4.350 0.001 0.000 0.191 10 E C 1.881 178.405 176.600 -0.127 0.000 0.985 10 E CA 0.783 57.074 56.400 -0.182 0.000 0.801 10 E CB -0.164 29.466 29.700 -0.115 0.000 0.750 10 E HN 0.540 nan 8.360 nan 0.000 0.452 11 Q N 0.285 120.041 119.800 -0.074 0.000 2.084 11 Q HA -0.146 4.194 4.340 0.001 0.000 0.202 11 Q C 2.323 178.305 176.000 -0.030 0.000 0.978 11 Q CA 0.886 56.666 55.803 -0.038 0.000 0.844 11 Q CB -0.150 28.582 28.738 -0.011 0.000 0.898 11 Q HN 0.112 nan 8.270 nan 0.000 0.426 12 L N 1.008 122.218 121.223 -0.022 0.000 2.046 12 L HA -0.208 4.132 4.340 0.001 0.000 0.208 12 L C 2.173 179.044 176.870 0.002 0.000 1.077 12 L CA 1.781 56.636 54.840 0.026 0.000 0.747 12 L CB -0.408 41.721 42.059 0.118 0.000 0.896 12 L HN 0.188 nan 8.230 nan 0.000 0.432 13 Q N -1.132 118.592 119.800 -0.126 0.000 2.096 13 Q HA -0.311 4.029 4.340 0.001 0.000 0.204 13 Q C 2.243 178.205 176.000 -0.063 0.000 0.982 13 Q CA 2.043 57.757 55.803 -0.149 0.000 0.850 13 Q CB -0.159 28.374 28.738 -0.342 0.000 0.901 13 Q HN 0.567 nan 8.270 nan 0.000 0.422 14 Q N -0.251 119.512 119.800 -0.062 0.000 2.123 14 Q HA -0.069 4.272 4.340 0.001 0.000 0.199 14 Q C 1.893 177.887 176.000 -0.010 0.000 0.966 14 Q CA 1.560 57.343 55.803 -0.034 0.000 0.845 14 Q CB -0.070 28.647 28.738 -0.035 0.000 0.907 14 Q HN 0.113 nan 8.270 nan 0.000 0.439 15 S N -0.672 115.028 115.700 -0.001 0.000 2.470 15 S HA 0.143 4.613 4.470 0.001 0.000 0.222 15 S C 0.099 174.716 174.600 0.027 0.000 1.024 15 S CA 0.255 58.463 58.200 0.013 0.000 0.931 15 S CB 0.203 63.413 63.200 0.015 0.000 0.791 15 S HN 0.414 nan 8.310 nan 0.000 0.513 16 N N 0.179 118.903 118.700 0.041 0.000 2.824 16 N HA 0.352 5.092 4.740 0.001 0.000 0.224 16 N C 0.129 175.696 175.510 0.094 0.000 1.418 16 N CA 0.403 53.489 53.050 0.060 0.000 0.743 16 N CB 0.614 39.138 38.487 0.061 0.000 1.395 16 N HN 0.107 nan 8.380 nan 0.000 0.548 17 A N 0.529 123.399 122.820 0.084 0.000 1.940 17 A HA -0.117 4.203 4.320 0.001 0.000 0.219 17 A C 1.856 179.537 177.584 0.161 0.000 1.176 17 A CA 2.155 54.265 52.037 0.121 0.000 0.631 17 A CB -0.492 18.556 19.000 0.080 0.000 0.814 17 A HN 0.511 nan 8.150 nan 0.000 0.446 18 T N 0.166 114.783 114.554 0.106 0.000 2.777 18 T HA 0.022 4.372 4.350 0.001 0.000 0.266 18 T C 2.242 176.999 174.700 0.094 0.000 1.040 18 T CA 1.448 63.600 62.100 0.087 0.000 1.141 18 T CB -0.432 68.466 68.868 0.051 0.000 0.868 18 T HN 0.606 nan 8.240 nan 0.000 0.444 19 A N 1.189 124.072 122.820 0.105 0.000 1.908 19 A HA -0.065 4.255 4.320 0.001 0.000 0.218 19 A C 2.007 179.693 177.584 0.171 0.000 1.181 19 A CA 1.435 53.544 52.037 0.120 0.000 0.627 19 A CB -1.020 18.042 19.000 0.104 0.000 0.818 19 A HN 0.481 nan 8.150 nan 0.000 0.445 20 F N 1.099 121.089 119.950 0.067 0.000 2.126 20 F HA -0.103 4.425 4.527 0.001 0.000 0.299 20 F C 2.456 178.302 175.800 0.076 0.000 1.096 20 F CA 1.231 59.269 58.000 0.063 0.000 1.255 20 F CB -0.442 38.581 39.000 0.038 0.000 0.997 20 F HN 0.234 nan 8.300 nan 0.000 0.479 21 A N 0.082 122.924 122.820 0.037 0.000 2.070 21 A HA -0.167 4.153 4.320 0.001 0.000 0.220 21 A C 2.193 179.738 177.584 -0.065 0.000 1.159 21 A CA 1.679 53.694 52.037 -0.037 0.000 0.656 21 A CB -0.815 18.228 19.000 0.073 0.000 0.800 21 A HN 0.531 nan 8.150 nan 0.000 0.453 22 M N -0.398 119.205 119.600 0.006 0.000 2.394 22 M HA 0.098 4.578 4.480 0.001 0.000 0.264 22 M C 0.003 176.415 176.300 0.187 0.000 1.073 22 M CA 0.374 55.732 55.300 0.096 0.000 1.111 22 M CB -0.324 32.338 32.600 0.103 0.000 1.401 22 M HN 0.231 nan 8.290 nan 0.000 0.448 23 L N 1.303 122.527 121.223 0.002 0.000 2.453 23 L HA 0.042 4.382 4.340 0.001 0.000 0.272 23 L C 1.075 177.874 176.870 -0.118 0.000 1.182 23 L CA -0.614 54.158 54.840 -0.114 0.000 0.858 23 L CB 0.323 42.191 42.059 -0.317 0.000 1.120 23 L HN 0.255 nan 8.230 nan 0.000 0.474 24 S N 0.942 116.593 115.700 -0.082 0.000 2.606 24 S HA 0.032 4.502 4.470 0.001 0.000 0.257 24 S C 0.684 175.240 174.600 -0.073 0.000 1.327 24 S CA -0.605 57.566 58.200 -0.048 0.000 0.984 24 S CB 0.849 64.038 63.200 -0.018 0.000 0.941 24 S HN 0.606 nan 8.310 nan 0.000 0.576 25 D N 0.098 120.477 120.400 -0.034 0.000 2.117 25 D HA -0.079 4.562 4.640 0.001 0.000 0.197 25 D C 1.793 178.087 176.300 -0.010 0.000 0.987 25 D CA 0.988 54.977 54.000 -0.018 0.000 0.829 25 D CB -0.547 40.255 40.800 0.003 0.000 0.961 25 D HN 0.425 nan 8.370 nan 0.000 0.460 26 L N 0.970 122.186 121.223 -0.012 0.000 2.042 26 L HA -0.024 4.317 4.340 0.001 0.000 0.210 26 L C 2.183 179.036 176.870 -0.028 0.000 1.076 26 L CA 2.182 57.017 54.840 -0.009 0.000 0.749 26 L CB -1.063 40.989 42.059 -0.011 0.000 0.893 26 L HN 0.069 nan 8.230 nan 0.000 0.432 27 G N -1.351 107.399 108.800 -0.083 0.000 2.476 27 G HA2 -0.312 3.648 3.960 0.001 0.000 0.218 27 G HA3 -0.312 3.648 3.960 0.001 0.000 0.218 27 G C 1.462 176.323 174.900 -0.066 0.000 1.164 27 G CA 0.868 45.883 45.100 -0.142 0.000 0.768 27 G HN 0.570 nan 8.290 nan 0.000 0.560 28 Q N -0.060 119.711 119.800 -0.048 0.000 2.084 28 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 28 Q C 2.358 178.425 176.000 0.111 0.000 0.978 28 Q CA 1.032 56.867 55.803 0.052 0.000 0.844 28 Q CB -0.147 28.619 28.738 0.048 0.000 0.898 28 Q HN 0.442 nan 8.270 nan 0.000 0.426 29 N N -0.112 118.640 118.700 0.088 0.000 2.457 29 N HA -0.033 4.707 4.740 0.001 0.000 0.180 29 N C 0.444 176.089 175.510 0.225 0.000 1.050 29 N CA 0.236 53.365 53.050 0.131 0.000 0.906 29 N CB 0.144 38.692 38.487 0.101 0.000 0.968 29 N HN 0.163 nan 8.380 nan 0.000 0.445 30 M N 0.953 120.650 119.600 0.163 0.000 2.241 30 M HA 0.273 4.753 4.480 0.001 0.000 0.335 30 M C -0.630 175.848 176.300 0.296 0.000 1.122 30 M CA -0.335 55.058 55.300 0.155 0.000 1.164 30 M CB 0.092 32.703 32.600 0.018 0.000 1.459 30 M HN 0.083 nan 8.290 nan 0.000 0.461 31 F N 1.251 121.232 119.950 0.051 0.000 2.817 31 F HA 0.506 5.033 4.527 0.000 0.000 0.317 31 F C -2.260 173.621 175.800 0.135 0.000 1.168 31 F CA -1.511 56.534 58.000 0.076 0.000 0.911 31 F CB 0.846 39.874 39.000 0.047 0.000 1.337 31 F HN 0.491 nan 8.300 nan 0.000 0.464 32 Y N 2.959 123.273 120.300 0.023 0.000 2.334 32 Y HA 0.657 5.207 4.550 0.000 0.000 0.336 32 Y C -2.672 173.274 175.900 0.076 0.000 0.960 32 Y CA -3.168 54.884 58.100 -0.081 0.000 1.164 32 Y CB 1.272 39.725 38.460 -0.010 0.000 1.155 32 Y HN 0.337 nan 8.280 nan 0.000 0.478 33 P HA 0.107 nan 4.420 nan 0.000 0.266 33 P C -0.286 176.887 177.300 -0.211 0.000 1.195 33 P CA 0.097 63.115 63.100 -0.136 0.000 0.768 33 P CB 1.253 32.819 31.700 -0.224 0.000 0.838 34 K N 1.526 121.915 120.400 -0.018 0.000 2.890 34 K HA 0.228 4.548 4.320 0.001 0.000 0.187 34 K C 1.585 178.164 176.600 -0.035 0.000 1.103 34 K CA 0.358 56.633 56.287 -0.020 0.000 1.284 34 K CB -1.035 31.481 32.500 0.026 0.000 1.754 34 K HN 0.624 nan 8.250 nan 0.000 0.471 35 G N 1.781 110.576 108.800 -0.008 0.000 2.704 35 G HA2 -0.383 3.577 3.960 0.001 0.000 0.344 35 G HA3 -0.383 3.577 3.960 0.001 0.000 0.344 35 G C 1.072 175.962 174.900 -0.017 0.000 1.200 35 G CA 1.203 46.297 45.100 -0.010 0.000 0.962 35 G HN 0.353 nan 8.290 nan 0.000 0.552 36 I N 1.266 121.819 120.570 -0.030 0.000 2.500 36 I HA 0.145 4.315 4.170 0.001 0.000 0.252 36 I C 2.795 178.893 176.117 -0.031 0.000 1.142 36 I CA 1.070 62.354 61.300 -0.027 0.000 1.451 36 I CB -0.174 37.807 38.000 -0.031 0.000 1.093 36 I HN 0.438 nan 8.210 nan 0.000 0.430 37 L N -0.928 120.259 121.223 -0.059 0.000 2.056 37 L HA -0.199 4.141 4.340 0.001 0.000 0.207 37 L C 2.534 179.402 176.870 -0.004 0.000 1.078 37 L CA 1.204 56.015 54.840 -0.049 0.000 0.749 37 L CB -0.535 41.447 42.059 -0.128 0.000 0.901 37 L HN 0.125 nan 8.230 nan 0.000 0.433 38 S N -0.642 115.055 115.700 -0.004 0.000 2.368 38 S HA -0.245 4.225 4.470 0.001 0.000 0.225 38 S C 1.894 176.506 174.600 0.020 0.000 1.030 38 S CA 1.245 59.458 58.200 0.021 0.000 0.999 38 S CB -0.234 62.978 63.200 0.020 0.000 0.844 38 S HN 0.436 nan 8.310 nan 0.000 0.459 39 Q N 0.709 120.515 119.800 0.012 0.000 2.135 39 Q HA -0.084 4.256 4.340 0.001 0.000 0.204 39 Q C 2.369 178.381 176.000 0.020 0.000 0.981 39 Q CA 1.541 57.353 55.803 0.014 0.000 0.856 39 Q CB -0.223 28.521 28.738 0.009 0.000 0.902 39 Q HN 0.461 nan 8.270 nan 0.000 0.425 40 S N 0.730 116.442 115.700 0.019 0.000 2.357 40 S HA -0.099 4.372 4.470 0.001 0.000 0.221 40 S C 2.076 176.695 174.600 0.033 0.000 1.031 40 S CA 0.943 59.159 58.200 0.026 0.000 0.982 40 S CB -0.217 62.997 63.200 0.023 0.000 0.853 40 S HN 0.489 nan 8.310 nan 0.000 0.458 41 A N 1.576 124.418 122.820 0.036 0.000 2.015 41 A HA -0.088 4.232 4.320 0.001 0.000 0.219 41 A C 1.922 179.526 177.584 0.034 0.000 1.163 41 A CA 1.158 53.219 52.037 0.041 0.000 0.646 41 A CB -0.466 18.565 19.000 0.051 0.000 0.806 41 A HN 0.535 nan 8.150 nan 0.000 0.448 42 E N -0.480 119.739 120.200 0.031 0.000 2.268 42 E HA -0.018 4.332 4.350 0.001 0.000 0.195 42 E C 1.710 178.325 176.600 0.026 0.000 0.995 42 E CA 0.720 57.136 56.400 0.027 0.000 0.836 42 E CB -0.128 29.587 29.700 0.025 0.000 0.763 42 E HN 0.615 nan 8.360 nan 0.000 0.491 43 A N 0.580 123.417 122.820 0.028 0.000 2.308 43 A HA 0.062 4.383 4.320 0.001 0.000 0.217 43 A C 1.540 179.140 177.584 0.027 0.000 1.216 43 A CA -0.108 51.946 52.037 0.029 0.000 0.864 43 A CB 0.091 19.111 19.000 0.034 0.000 0.902 43 A HN -0.020 nan 8.150 nan 0.000 0.499 44 K N 0.722 121.138 120.400 0.026 0.000 2.160 44 K HA -0.132 4.189 4.320 0.001 0.000 0.206 44 K C 1.456 178.064 176.600 0.013 0.000 1.047 44 K CA 1.662 57.964 56.287 0.024 0.000 0.930 44 K CB -0.074 32.442 32.500 0.027 0.000 0.720 44 K HN 0.609 nan 8.250 nan 0.000 0.450 45 S N 0.103 115.809 115.700 0.010 0.000 2.573 45 S HA 0.034 4.504 4.470 0.001 0.000 0.244 45 S C 0.220 174.816 174.600 -0.008 0.000 0.984 45 S CA -0.692 57.508 58.200 0.000 0.000 1.001 45 S CB -0.163 63.039 63.200 0.004 0.000 0.788 45 S HN 0.154 nan 8.310 nan 0.000 0.456 46 T N -1.647 112.904 114.554 -0.005 0.000 2.909 46 T HA 0.382 4.732 4.350 0.001 0.000 0.286 46 T C 1.136 175.795 174.700 -0.067 0.000 1.002 46 T CA -0.395 61.698 62.100 -0.011 0.000 1.074 46 T CB 1.213 70.097 68.868 0.025 0.000 0.984 46 T HN 0.087 nan 8.240 nan 0.000 0.495 47 T N 0.637 115.107 114.554 -0.141 0.000 2.777 47 T HA -0.016 4.334 4.350 0.001 0.000 0.266 47 T C -0.124 174.265 174.700 -0.518 0.000 1.040 47 T CA 1.341 63.217 62.100 -0.374 0.000 1.141 47 T CB -0.454 68.078 68.868 -0.560 0.000 0.868 47 T HN 0.726 nan 8.240 nan 0.000 0.444 48 Y N 1.835 122.143 120.300 0.013 0.000 2.721 48 Y HA 0.432 4.982 4.550 0.001 0.000 0.328 48 Y C 0.160 176.068 175.900 0.015 0.000 1.003 48 Y CA -1.411 56.696 58.100 0.013 0.000 1.275 48 Y CB 0.187 38.653 38.460 0.010 0.000 1.097 48 Y HN -0.071 nan 8.280 nan 0.000 0.514 49 N N 2.671 121.435 118.700 0.107 0.000 2.521 49 N HA 0.283 5.023 4.740 0.001 0.000 0.236 49 N C -0.046 175.513 175.510 0.082 0.000 1.067 49 N CA -0.075 53.021 53.050 0.077 0.000 0.939 49 N CB 1.094 39.609 38.487 0.047 0.000 1.201 49 N HN 0.683 nan 8.380 nan 0.000 0.511 50 A N 2.554 125.421 122.820 0.079 0.000 2.684 50 A HA 0.130 4.451 4.320 0.001 0.000 0.288 50 A C 1.279 178.891 177.584 0.048 0.000 1.337 50 A CA -0.023 52.051 52.037 0.062 0.000 0.946 50 A CB -0.466 18.567 19.000 0.056 0.000 1.093 50 A HN 0.648 nan 8.150 nan 0.000 0.543 51 T N -2.994 111.588 114.554 0.048 0.000 2.985 51 T HA 0.354 4.705 4.350 0.001 0.000 0.254 51 T C 0.510 175.236 174.700 0.044 0.000 1.021 51 T CA -0.022 62.102 62.100 0.040 0.000 0.957 51 T CB -0.403 68.486 68.868 0.035 0.000 1.047 51 T HN 0.235 nan 8.240 nan 0.000 0.511 52 I N 2.543 123.146 120.570 0.055 0.000 2.496 52 I HA 0.355 4.525 4.170 0.001 0.000 0.285 52 I C 1.303 177.467 176.117 0.079 0.000 1.080 52 I CA -0.442 60.900 61.300 0.070 0.000 1.404 52 I CB 0.935 38.981 38.000 0.076 0.000 1.403 52 I HN 0.303 nan 8.210 nan 0.000 0.539 53 G N 7.472 116.332 108.800 0.100 0.000 3.471 53 G HA2 0.416 4.376 3.960 0.001 0.000 0.254 53 G HA3 0.416 4.376 3.960 0.001 0.000 0.254 53 G C 0.068 175.074 174.900 0.176 0.000 1.199 53 G CA -0.176 44.996 45.100 0.120 0.000 1.683 53 G HN 0.493 nan 8.290 nan 0.000 0.625 54 M N -0.517 119.157 119.600 0.124 0.000 2.704 54 M HA 0.627 5.107 4.480 0.001 0.000 0.284 54 M C -0.659 175.671 176.300 0.050 0.000 1.275 54 M CA -0.928 54.424 55.300 0.086 0.000 0.811 54 M CB 2.361 35.011 32.600 0.082 0.000 1.741 54 M HN 0.048 nan 8.290 nan 0.000 0.458 55 A N 1.276 124.111 122.820 0.024 0.000 2.288 55 A HA 0.800 5.120 4.320 0.001 0.000 0.320 55 A C -0.419 177.171 177.584 0.011 0.000 1.217 55 A CA -0.425 51.618 52.037 0.010 0.000 0.840 55 A CB 0.439 19.432 19.000 -0.012 0.000 1.179 55 A HN 0.775 nan 8.150 nan 0.000 0.504 56 T N 0.043 114.607 114.554 0.016 0.000 2.896 56 T HA 0.746 5.096 4.350 0.001 0.000 0.297 56 T C -0.568 174.139 174.700 0.012 0.000 1.108 56 T CA -0.717 61.396 62.100 0.022 0.000 1.004 56 T CB 1.686 70.578 68.868 0.039 0.000 1.159 56 T HN 0.913 nan 8.240 nan 0.000 0.499 57 N N 0.060 118.766 118.700 0.010 0.000 3.343 57 N HA 0.356 5.096 4.740 0.001 0.000 0.330 57 N C 0.908 176.429 175.510 0.019 0.000 1.560 57 N CA -0.787 52.267 53.050 0.007 0.000 0.752 57 N CB 0.649 39.124 38.487 -0.020 0.000 1.863 57 N HN 0.798 nan 8.380 nan 0.000 0.636 58 K N -1.336 119.074 120.400 0.017 0.000 2.152 58 K HA -0.091 4.229 4.320 0.001 0.000 0.206 58 K C -0.039 176.575 176.600 0.023 0.000 1.048 58 K CA 1.654 57.953 56.287 0.020 0.000 0.933 58 K CB -0.273 32.237 32.500 0.018 0.000 0.721 58 K HN 0.381 nan 8.250 nan 0.000 0.447 59 D N 0.681 121.097 120.400 0.027 0.000 2.289 59 D HA 0.088 4.728 4.640 0.001 0.000 0.207 59 D C 1.108 177.449 176.300 0.069 0.000 0.966 59 D CA 1.257 55.285 54.000 0.047 0.000 0.868 59 D CB 0.734 41.566 40.800 0.053 0.000 0.943 59 D HN 0.532 nan 8.370 nan 0.000 0.514 60 G N -0.136 108.703 108.800 0.066 0.000 2.291 60 G HA2 -0.073 3.888 3.960 0.001 0.000 0.249 60 G HA3 -0.073 3.888 3.960 0.001 0.000 0.249 60 G C -1.252 173.701 174.900 0.088 0.000 1.340 60 G CA -0.887 44.261 45.100 0.080 0.000 1.017 60 G HN -0.132 nan 8.290 nan 0.000 0.470 61 K N 0.453 120.921 120.400 0.114 0.000 2.355 61 K HA 0.508 4.829 4.320 0.001 0.000 0.270 61 K C 0.756 177.437 176.600 0.135 0.000 1.003 61 K CA -0.053 56.297 56.287 0.105 0.000 0.957 61 K CB 0.262 32.825 32.500 0.105 0.000 0.939 61 K HN 0.535 nan 8.250 nan 0.000 0.482 62 M N 2.928 122.541 119.600 0.023 0.000 2.235 62 M HA 0.360 4.840 4.480 0.001 0.000 0.351 62 M C -0.203 176.019 176.300 -0.130 0.000 1.178 62 M CA -0.089 55.146 55.300 -0.108 0.000 1.143 62 M CB 0.249 32.778 32.600 -0.119 0.000 1.530 62 M HN 0.562 nan 8.290 nan 0.000 0.461 63 F N 0.006 119.731 119.950 -0.376 0.000 2.741 63 F HA 0.847 5.375 4.527 0.000 0.000 0.313 63 F C -1.444 174.106 175.800 -0.415 0.000 1.153 63 F CA -1.661 55.945 58.000 -0.656 0.000 0.931 63 F CB 0.923 39.011 39.000 -1.520 0.000 1.335 63 F HN 0.494 nan 8.300 nan 0.000 0.460 64 A N 1.167 123.901 122.820 -0.144 0.000 2.252 64 A HA 0.545 4.866 4.320 0.001 0.000 0.309 64 A C 0.701 178.395 177.584 0.183 0.000 1.285 64 A CA -0.115 51.906 52.037 -0.027 0.000 0.900 64 A CB 0.347 19.368 19.000 0.036 0.000 1.157 64 A HN 0.850 nan 8.150 nan 0.000 0.536 65 S N 1.856 117.618 115.700 0.103 0.000 2.392 65 S HA -0.174 4.297 4.470 0.001 0.000 0.232 65 S C 2.221 176.951 174.600 0.217 0.000 1.041 65 S CA 2.126 60.463 58.200 0.227 0.000 1.026 65 S CB -0.111 63.145 63.200 0.094 0.000 0.845 65 S HN 0.814 nan 8.310 nan 0.000 0.465 66 S N 1.403 117.191 115.700 0.146 0.000 2.382 66 S HA 0.028 4.499 4.470 0.001 0.000 0.228 66 S C 1.744 176.446 174.600 0.170 0.000 1.027 66 S CA 0.884 59.159 58.200 0.124 0.000 0.991 66 S CB -0.327 62.921 63.200 0.080 0.000 0.823 66 S HN 0.385 nan 8.310 nan 0.000 0.469 67 L N 0.856 122.235 121.223 0.261 0.000 2.072 67 L HA -0.084 4.256 4.340 0.001 0.000 0.205 67 L C 2.351 179.516 176.870 0.491 0.000 1.079 67 L CA 1.297 56.354 54.840 0.362 0.000 0.752 67 L CB -0.480 41.878 42.059 0.499 0.000 0.906 67 L HN 0.251 nan 8.230 nan 0.000 0.436 68 D N 0.204 120.959 120.400 0.592 0.000 2.178 68 D HA -0.174 4.466 4.640 0.001 0.000 0.201 68 D C 2.081 178.581 176.300 0.333 0.000 0.980 68 D CA 1.109 55.417 54.000 0.513 0.000 0.842 68 D CB 0.203 41.247 40.800 0.406 0.000 0.948 68 D HN 0.246 nan 8.370 nan 0.000 0.472 69 A N -0.257 122.704 122.820 0.236 0.000 2.121 69 A HA -0.054 4.267 4.320 0.001 0.000 0.218 69 A C 2.020 179.625 177.584 0.035 0.000 1.154 69 A CA 0.779 52.890 52.037 0.124 0.000 0.679 69 A CB -0.560 18.496 19.000 0.093 0.000 0.795 69 A HN 0.334 nan 8.150 nan 0.000 0.458 70 M N -1.312 118.271 119.600 -0.030 0.000 2.618 70 M HA 0.220 4.701 4.480 0.001 0.000 0.240 70 M C -0.876 175.042 176.300 -0.636 0.000 1.123 70 M CA 0.386 55.486 55.300 -0.333 0.000 1.060 70 M CB 0.056 32.386 32.600 -0.450 0.000 1.535 70 M HN 0.333 nan 8.290 nan 0.000 0.507 71 F N -0.199 119.714 119.950 -0.062 0.000 2.563 71 F HA 0.452 4.979 4.527 0.000 0.000 0.316 71 F C 0.012 175.765 175.800 -0.078 0.000 1.076 71 F CA -1.221 56.719 58.000 -0.101 0.000 0.921 71 F CB 1.167 40.062 39.000 -0.174 0.000 1.209 71 F HN -0.097 nan 8.300 nan 0.000 0.462 72 N N 0.798 119.550 118.700 0.087 0.000 2.292 72 N HA 0.298 5.038 4.740 0.001 0.000 0.303 72 N C -0.609 174.888 175.510 -0.021 0.000 1.140 72 N CA -0.511 52.557 53.050 0.029 0.000 0.788 72 N CB 1.766 40.260 38.487 0.012 0.000 1.361 72 N HN 0.620 nan 8.380 nan 0.000 0.489 73 D N -0.626 119.755 120.400 -0.032 0.000 2.758 73 D HA -0.176 4.464 4.640 0.001 0.000 0.191 73 D C -0.282 175.911 176.300 -0.178 0.000 1.036 73 D CA 1.244 55.201 54.000 -0.071 0.000 1.030 73 D CB -0.861 39.894 40.800 -0.075 0.000 1.109 73 D HN 0.417 nan 8.370 nan 0.000 0.430 74 L N 1.182 122.282 121.223 -0.204 0.000 2.307 74 L HA 0.404 4.745 4.340 0.001 0.000 0.282 74 L C 1.285 178.070 176.870 -0.142 0.000 1.051 74 L CA -0.429 54.263 54.840 -0.247 0.000 0.804 74 L CB 1.551 43.421 42.059 -0.314 0.000 1.197 74 L HN 0.028 nan 8.230 nan 0.000 0.431 75 T N -0.977 113.516 114.554 -0.101 0.000 2.882 75 T HA 0.250 4.600 4.350 0.001 0.000 0.287 75 T C -1.930 172.677 174.700 -0.155 0.000 1.014 75 T CA -1.715 60.337 62.100 -0.081 0.000 1.049 75 T CB 1.355 70.208 68.868 -0.025 0.000 1.001 75 T HN 0.323 nan 8.240 nan 0.000 0.525 76 P HA -0.058 nan 4.420 nan 0.000 0.218 76 P C 0.971 178.223 177.300 -0.080 0.000 1.148 76 P CA 0.932 63.906 63.100 -0.210 0.000 0.822 76 P CB -0.015 31.374 31.700 -0.519 0.000 0.784 77 D N -0.639 119.730 120.400 -0.052 0.000 2.350 77 D HA -0.103 4.537 4.640 0.001 0.000 0.216 77 D C 1.308 177.569 176.300 -0.066 0.000 0.968 77 D CA 0.826 54.813 54.000 -0.022 0.000 0.894 77 D CB -0.248 40.557 40.800 0.008 0.000 0.909 77 D HN 0.391 nan 8.370 nan 0.000 0.520 78 E N -0.644 119.481 120.200 -0.124 0.000 2.479 78 E HA 0.147 4.497 4.350 0.001 0.000 0.193 78 E C 1.495 177.903 176.600 -0.320 0.000 1.049 78 E CA -0.005 56.299 56.400 -0.160 0.000 0.870 78 E CB 0.810 30.441 29.700 -0.115 0.000 0.944 78 E HN 0.300 nan 8.360 nan 0.000 0.492 79 I N -1.322 118.974 120.570 -0.457 0.000 3.570 79 I HA 0.011 4.181 4.170 0.001 0.000 0.270 79 I C 1.208 176.856 176.117 -0.780 0.000 1.162 79 I CA 0.249 61.030 61.300 -0.865 0.000 1.413 79 I CB 0.212 37.361 38.000 -1.417 0.000 1.437 79 I HN -0.002 nan 8.210 nan 0.000 0.457 80 F N 1.256 121.022 119.950 -0.306 0.000 2.374 80 F HA 0.190 4.718 4.527 0.000 0.000 0.291 80 F C -1.207 174.468 175.800 -0.210 0.000 1.084 80 F CA -0.254 57.609 58.000 -0.229 0.000 1.413 80 F CB -1.597 37.301 39.000 -0.170 0.000 1.099 80 F HN -0.021 nan 8.300 nan 0.000 0.534 81 P HA -0.068 nan 4.420 nan 0.000 0.274 81 P C -1.038 176.201 177.300 -0.102 0.000 1.260 81 P CA -0.146 62.920 63.100 -0.056 0.000 0.793 81 P CB 0.218 31.928 31.700 0.018 0.000 1.048 82 Y N -0.473 119.835 120.300 0.014 0.000 2.511 82 Y HA 0.302 4.852 4.550 0.001 0.000 0.332 82 Y C 1.253 177.146 175.900 -0.011 0.000 1.177 82 Y CA -0.017 58.083 58.100 -0.000 0.000 1.422 82 Y CB -0.344 38.124 38.460 0.013 0.000 1.271 82 Y HN 0.312 nan 8.280 nan 0.000 0.550 83 A N 5.846 128.758 122.820 0.152 0.000 2.351 83 A HA 0.462 4.782 4.320 0.001 0.000 0.257 83 A C -2.337 175.297 177.584 0.083 0.000 1.087 83 A CA -1.575 50.509 52.037 0.079 0.000 0.798 83 A CB -0.331 18.684 19.000 0.025 0.000 1.033 83 A HN 0.517 nan 8.150 nan 0.000 0.488 84 P HA 0.120 nan 4.420 nan 0.000 0.269 84 P C -1.879 175.423 177.300 0.004 0.000 1.215 84 P CA -1.104 62.012 63.100 0.027 0.000 0.780 84 P CB 0.048 31.757 31.700 0.015 0.000 0.898 85 P HA -0.191 nan 4.420 nan 0.000 0.219 85 P C 1.090 178.359 177.300 -0.052 0.000 1.146 85 P CA 1.552 64.640 63.100 -0.020 0.000 0.808 85 P CB -0.144 31.554 31.700 -0.004 0.000 0.779 86 Q N 0.052 119.805 119.800 -0.078 0.000 2.403 86 Q HA 0.202 4.543 4.340 0.001 0.000 0.203 86 Q C 0.764 176.741 176.000 -0.038 0.000 0.932 86 Q CA 0.911 56.672 55.803 -0.070 0.000 0.945 86 Q CB -0.433 28.253 28.738 -0.087 0.000 1.045 86 Q HN 0.150 nan 8.270 nan 0.000 0.511 87 G N 1.432 110.214 108.800 -0.031 0.000 2.662 87 G HA2 -0.140 3.821 3.960 0.001 0.000 0.686 87 G HA3 -0.140 3.821 3.960 0.001 0.000 0.686 87 G C -0.659 174.247 174.900 0.011 0.000 1.271 87 G CA -0.453 44.634 45.100 -0.023 0.000 0.816 87 G HN 0.188 nan 8.290 nan 0.000 0.608 88 I N 1.736 122.318 120.570 0.021 0.000 2.668 88 I HA 0.012 4.182 4.170 0.001 0.000 0.285 88 I C 1.846 177.997 176.117 0.056 0.000 1.168 88 I CA 0.308 61.630 61.300 0.037 0.000 1.424 88 I CB 0.960 38.982 38.000 0.038 0.000 1.377 88 I HN 0.682 nan 8.210 nan 0.000 0.560 89 E N 4.557 124.785 120.200 0.047 0.000 2.118 89 E HA -0.246 4.104 4.350 0.001 0.000 0.195 89 E C 1.671 178.307 176.600 0.061 0.000 0.992 89 E CA 1.206 57.637 56.400 0.051 0.000 0.804 89 E CB 0.137 29.860 29.700 0.038 0.000 0.741 89 E HN 0.639 nan 8.360 nan 0.000 0.458 90 E N 0.412 120.645 120.200 0.055 0.000 2.085 90 E HA -0.193 4.157 4.350 0.001 0.000 0.194 90 E C 2.134 178.785 176.600 0.085 0.000 0.994 90 E CA 0.704 57.137 56.400 0.055 0.000 0.801 90 E CB -0.055 29.668 29.700 0.038 0.000 0.743 90 E HN 0.062 nan 8.360 nan 0.000 0.453 91 L N 1.279 122.571 121.223 0.114 0.000 2.046 91 L HA -0.147 4.193 4.340 0.001 0.000 0.208 91 L C 2.138 179.141 176.870 0.222 0.000 1.077 91 L CA 1.710 56.661 54.840 0.185 0.000 0.747 91 L CB -0.375 41.805 42.059 0.203 0.000 0.896 91 L HN 0.024 nan 8.230 nan 0.000 0.432 92 R N -0.349 120.265 120.500 0.191 0.000 2.083 92 R HA -0.178 4.162 4.340 0.001 0.000 0.237 92 R C 1.948 178.313 176.300 0.109 0.000 1.137 92 R CA 1.658 57.862 56.100 0.173 0.000 0.951 92 R CB -0.688 29.690 30.300 0.130 0.000 0.851 92 R HN 0.434 nan 8.270 nan 0.000 0.434 93 D N 0.771 121.221 120.400 0.084 0.000 2.084 93 D HA -0.131 4.509 4.640 0.001 0.000 0.194 93 D C 2.030 178.354 176.300 0.039 0.000 0.990 93 D CA 1.123 55.154 54.000 0.052 0.000 0.826 93 D CB -0.264 40.560 40.800 0.041 0.000 0.971 93 D HN 0.143 nan 8.370 nan 0.000 0.453 94 L N -0.234 121.027 121.223 0.062 0.000 2.083 94 L HA -0.135 4.205 4.340 0.001 0.000 0.209 94 L C 2.502 179.388 176.870 0.027 0.000 1.083 94 L CA 0.818 55.690 54.840 0.053 0.000 0.752 94 L CB -0.198 41.916 42.059 0.093 0.000 0.899 94 L HN 0.258 nan 8.230 nan 0.000 0.433 95 W N 0.878 122.061 121.300 -0.196 0.000 2.418 95 W HA -0.192 4.468 4.660 0.001 0.000 0.292 95 W C 2.425 178.750 176.519 -0.323 0.000 1.213 95 W CA 1.542 58.642 57.345 -0.409 0.000 1.283 95 W CB -0.043 28.796 29.460 -1.035 0.000 1.119 95 W HN 0.296 nan 8.180 nan 0.000 0.542 96 Q N 0.522 120.267 119.800 -0.093 0.000 2.084 96 Q HA -0.279 4.061 4.340 0.001 0.000 0.202 96 Q C 2.282 178.195 176.000 -0.145 0.000 0.978 96 Q CA 2.057 57.795 55.803 -0.108 0.000 0.844 96 Q CB -0.299 28.428 28.738 -0.018 0.000 0.898 96 Q HN 0.383 nan 8.270 nan 0.000 0.426 97 Q N 0.264 119.996 119.800 -0.114 0.000 2.061 97 Q HA -0.222 4.119 4.340 0.001 0.000 0.204 97 Q C 2.063 177.965 176.000 -0.164 0.000 0.984 97 Q CA 1.747 57.489 55.803 -0.103 0.000 0.846 97 Q CB -0.161 28.540 28.738 -0.061 0.000 0.902 97 Q HN 0.248 nan 8.270 nan 0.000 0.421 98 K N 0.700 120.938 120.400 -0.269 0.000 2.032 98 K HA -0.179 4.141 4.320 0.001 0.000 0.209 98 K C 2.067 178.441 176.600 -0.377 0.000 1.048 98 K CA 1.472 57.545 56.287 -0.357 0.000 0.927 98 K CB -0.073 32.068 32.500 -0.600 0.000 0.712 98 K HN 0.176 nan 8.250 nan 0.000 0.441 99 M N 0.810 120.121 119.600 -0.481 0.000 2.108 99 M HA -0.206 4.274 4.480 0.001 0.000 0.261 99 M C 2.244 178.438 176.300 -0.177 0.000 1.066 99 M CA 1.611 56.700 55.300 -0.352 0.000 1.107 99 M CB -0.345 32.062 32.600 -0.320 0.000 1.356 99 M HN 0.185 nan 8.290 nan 0.000 0.406 100 L N -0.725 120.418 121.223 -0.133 0.000 2.046 100 L HA -0.209 4.131 4.340 0.001 0.000 0.208 100 L C 2.706 179.540 176.870 -0.060 0.000 1.077 100 L CA 1.283 56.082 54.840 -0.067 0.000 0.747 100 L CB -0.653 41.377 42.059 -0.048 0.000 0.896 100 L HN 0.315 nan 8.230 nan 0.000 0.432 101 R N 0.215 120.668 120.500 -0.078 0.000 2.081 101 R HA -0.176 4.165 4.340 0.001 0.000 0.235 101 R C 1.669 177.946 176.300 -0.037 0.000 1.131 101 R CA 1.859 57.926 56.100 -0.055 0.000 0.960 101 R CB -0.116 30.148 30.300 -0.061 0.000 0.856 101 R HN 0.307 nan 8.270 nan 0.000 0.436 102 D N 0.084 120.460 120.400 -0.041 0.000 2.269 102 D HA -0.041 4.599 4.640 0.001 0.000 0.208 102 D C -0.079 176.242 176.300 0.034 0.000 0.963 102 D CA 0.915 54.935 54.000 0.034 0.000 0.864 102 D CB 0.055 40.914 40.800 0.098 0.000 0.936 102 D HN 0.234 nan 8.370 nan 0.000 0.505 103 N N 0.567 119.258 118.700 -0.015 0.000 2.790 103 N HA 0.128 4.868 4.740 0.001 0.000 0.256 103 N C -2.177 173.325 175.510 -0.013 0.000 1.409 103 N CA -1.015 52.028 53.050 -0.013 0.000 0.799 103 N CB 2.293 40.779 38.487 -0.002 0.000 1.170 103 N HN -0.095 nan 8.380 nan 0.000 0.507 104 P HA -0.116 nan 4.420 nan 0.000 0.219 104 P C 0.706 178.003 177.300 -0.006 0.000 1.146 104 P CA 1.357 64.446 63.100 -0.019 0.000 0.808 104 P CB 0.444 32.126 31.700 -0.030 0.000 0.779 105 E N -1.456 118.744 120.200 0.000 0.000 2.489 105 E HA 0.040 4.390 4.350 0.001 0.000 0.193 105 E C 0.295 176.909 176.600 0.024 0.000 1.057 105 E CA -0.310 56.100 56.400 0.017 0.000 0.866 105 E CB -0.077 29.641 29.700 0.031 0.000 0.916 105 E HN 0.141 nan 8.360 nan 0.000 0.500 106 L N 1.146 122.384 121.223 0.025 0.000 2.305 106 L HA 0.193 4.533 4.340 0.001 0.000 0.281 106 L C -0.243 176.650 176.870 0.038 0.000 1.085 106 L CA -0.015 54.847 54.840 0.036 0.000 0.813 106 L CB 1.637 43.736 42.059 0.067 0.000 1.157 106 L HN -0.238 nan 8.230 nan 0.000 0.436 107 S N 4.402 120.130 115.700 0.047 0.000 2.489 107 S HA 0.311 4.781 4.470 0.001 0.000 0.291 107 S C 1.271 175.908 174.600 0.062 0.000 1.151 107 S CA -0.666 57.564 58.200 0.050 0.000 1.082 107 S CB 0.632 63.868 63.200 0.060 0.000 1.019 107 S HN 0.777 nan 8.310 nan 0.000 0.492 108 I N 2.998 123.599 120.570 0.051 0.000 2.335 108 I HA -0.173 3.998 4.170 0.001 0.000 0.251 108 I C 0.951 177.109 176.117 0.069 0.000 1.129 108 I CA 1.642 62.976 61.300 0.057 0.000 1.402 108 I CB -0.005 38.018 38.000 0.039 0.000 1.069 108 I HN 0.679 nan 8.210 nan 0.000 0.424 109 D N 0.863 121.301 120.400 0.063 0.000 2.310 109 D HA -0.105 4.536 4.640 0.001 0.000 0.212 109 D C 1.105 177.456 176.300 0.086 0.000 0.965 109 D CA 0.781 54.821 54.000 0.066 0.000 0.879 109 D CB -0.305 40.527 40.800 0.052 0.000 0.921 109 D HN 0.431 nan 8.370 nan 0.000 0.510 110 N N 0.131 118.888 118.700 0.096 0.000 2.251 110 N HA 0.119 4.859 4.740 0.001 0.000 0.217 110 N C 0.248 175.825 175.510 0.112 0.000 1.124 110 N CA 0.068 53.178 53.050 0.100 0.000 0.843 110 N CB 0.490 39.029 38.487 0.087 0.000 1.024 110 N HN 0.385 nan 8.380 nan 0.000 0.501 111 M N -2.027 117.667 119.600 0.156 0.000 2.575 111 M HA 0.531 5.012 4.480 0.001 0.000 0.284 111 M C -0.200 176.223 176.300 0.206 0.000 1.253 111 M CA -0.962 54.483 55.300 0.242 0.000 0.861 111 M CB 1.899 34.694 32.600 0.325 0.000 1.733 111 M HN -0.132 nan 8.290 nan 0.000 0.462 112 S N 0.308 116.162 115.700 0.256 0.000 2.624 112 S HA 0.506 4.977 4.470 0.001 0.000 0.263 112 S C -0.154 174.543 174.600 0.161 0.000 1.287 112 S CA -0.824 57.510 58.200 0.223 0.000 0.990 112 S CB 0.583 63.992 63.200 0.349 0.000 0.950 112 S HN 0.783 nan 8.310 nan 0.000 0.561 113 R N 1.629 122.208 120.500 0.132 0.000 2.347 113 R HA 0.299 4.640 4.340 0.001 0.000 0.304 113 R C -2.452 173.909 176.300 0.102 0.000 1.072 113 R CA -1.716 54.443 56.100 0.099 0.000 0.980 113 R CB -0.031 30.320 30.300 0.083 0.000 0.986 113 R HN 0.499 nan 8.270 nan 0.000 0.448 114 P HA -0.069 nan 4.420 nan 0.000 0.262 114 P C -0.365 177.020 177.300 0.142 0.000 1.182 114 P CA 0.660 63.818 63.100 0.098 0.000 0.761 114 P CB 0.431 32.199 31.700 0.112 0.000 0.795 115 I N 2.931 123.554 120.570 0.089 0.000 2.385 115 I HA 0.159 4.329 4.170 0.001 0.000 0.294 115 I C 0.364 176.465 176.117 -0.027 0.000 0.988 115 I CA -1.051 60.274 61.300 0.042 0.000 1.265 115 I CB 1.437 39.441 38.000 0.007 0.000 1.388 115 I HN 0.022 nan 8.210 nan 0.000 0.480 116 V N 5.057 124.911 119.914 -0.100 0.000 2.614 116 V HA 0.266 4.386 4.120 0.001 0.000 0.291 116 V C 0.569 176.492 176.094 -0.286 0.000 1.049 116 V CA -0.126 61.950 62.300 -0.374 0.000 1.038 116 V CB 1.031 32.655 31.823 -0.333 0.000 0.980 116 V HN 0.926 nan 8.190 nan 0.000 0.481 117 T N 0.509 114.846 114.554 -0.362 0.000 2.907 117 T HA 0.316 4.666 4.350 0.001 0.000 0.290 117 T C 0.140 174.799 174.700 -0.069 0.000 1.066 117 T CA -0.848 61.168 62.100 -0.139 0.000 1.012 117 T CB 1.428 70.162 68.868 -0.224 0.000 1.184 117 T HN 0.495 nan 8.240 nan 0.000 0.522 118 N N 1.418 120.248 118.700 0.216 0.000 3.027 118 N HA 0.295 5.035 4.740 0.001 0.000 0.309 118 N C 0.726 176.230 175.510 -0.010 0.000 1.222 118 N CA 0.883 53.934 53.050 0.002 0.000 1.187 118 N CB -1.270 37.124 38.487 -0.154 0.000 1.458 118 N HN 1.080 nan 8.380 nan 0.000 0.535 119 A N 0.606 123.361 122.820 -0.109 0.000 6.507 119 A HA -0.281 4.039 4.320 0.001 0.000 0.242 119 A C 0.934 178.475 177.584 -0.071 0.000 2.201 119 A CA 0.322 52.285 52.037 -0.123 0.000 0.699 119 A CB -1.128 17.831 19.000 -0.068 0.000 0.971 119 A HN 0.384 nan 8.150 nan 0.000 0.369 120 L N -0.803 120.379 121.223 -0.068 0.000 2.156 120 L HA -0.017 4.323 4.340 0.001 0.000 0.208 120 L C 2.782 179.693 176.870 0.069 0.000 1.095 120 L CA 2.728 57.549 54.840 -0.032 0.000 0.770 120 L CB -0.780 41.236 42.059 -0.072 0.000 0.914 120 L HN 0.897 nan 8.230 nan 0.000 0.439 121 T N -2.082 112.541 114.554 0.115 0.000 2.746 121 T HA -0.268 4.083 4.350 0.001 0.000 0.267 121 T C 1.868 176.657 174.700 0.149 0.000 1.039 121 T CA 1.612 63.825 62.100 0.187 0.000 1.142 121 T CB -0.410 68.582 68.868 0.207 0.000 0.866 121 T HN 0.486 nan 8.240 nan 0.000 0.444 122 H N 0.257 119.327 119.070 -0.000 0.000 2.353 122 H HA -0.074 4.482 4.556 0.000 0.000 0.300 122 H C 2.524 177.844 175.328 -0.013 0.000 1.090 122 H CA 1.026 57.059 56.048 -0.024 0.000 1.327 122 H CB -0.376 29.353 29.762 -0.055 0.000 1.383 122 H HN 0.418 nan 8.280 nan 0.000 0.508 123 G N 1.044 109.820 108.800 -0.039 0.000 2.446 123 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 123 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 123 G C 1.818 176.739 174.900 0.035 0.000 1.168 123 G CA 0.924 45.979 45.100 -0.075 0.000 0.771 123 G HN 0.320 nan 8.290 nan 0.000 0.551 124 L N 0.459 121.750 121.223 0.113 0.000 2.046 124 L HA -0.089 4.251 4.340 0.001 0.000 0.208 124 L C 3.113 180.018 176.870 0.058 0.000 1.077 124 L CA 1.321 56.275 54.840 0.191 0.000 0.747 124 L CB -0.500 41.701 42.059 0.236 0.000 0.896 124 L HN 0.346 nan 8.230 nan 0.000 0.432 125 S N 0.081 115.779 115.700 -0.003 0.000 2.370 125 S HA -0.169 4.301 4.470 0.001 0.000 0.226 125 S C 2.005 176.625 174.600 0.033 0.000 1.033 125 S CA 1.314 59.503 58.200 -0.018 0.000 1.011 125 S CB -0.226 63.013 63.200 0.065 0.000 0.852 125 S HN 0.289 nan 8.310 nan 0.000 0.457 126 L N 0.833 122.062 121.223 0.011 0.000 2.046 126 L HA -0.062 4.278 4.340 0.001 0.000 0.208 126 L C 2.480 179.417 176.870 0.112 0.000 1.077 126 L CA 0.918 55.758 54.840 -0.000 0.000 0.747 126 L CB -0.608 41.379 42.059 -0.120 0.000 0.896 126 L HN 0.211 nan 8.230 nan 0.000 0.432 127 V N 0.305 120.350 119.914 0.218 0.000 2.287 127 V HA -0.266 3.854 4.120 0.001 0.000 0.248 127 V C 2.639 178.974 176.094 0.401 0.000 1.053 127 V CA 2.118 64.660 62.300 0.403 0.000 1.027 127 V CB -1.398 30.680 31.823 0.425 0.000 0.646 127 V HN 0.591 nan 8.190 nan 0.000 0.447 128 G N -0.357 108.673 108.800 0.384 0.000 2.446 128 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 128 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 128 G C 1.267 176.267 174.900 0.165 0.000 1.168 128 G CA 1.132 46.432 45.100 0.332 0.000 0.771 128 G HN 0.504 nan 8.290 nan 0.000 0.551 129 D N -0.035 120.416 120.400 0.085 0.000 2.097 129 D HA -0.082 4.559 4.640 0.001 0.000 0.195 129 D C 2.346 178.620 176.300 -0.044 0.000 0.989 129 D CA 0.717 54.728 54.000 0.019 0.000 0.827 129 D CB -0.253 40.546 40.800 -0.001 0.000 0.966 129 D HN 0.244 nan 8.370 nan 0.000 0.456 130 L N -1.106 120.046 121.223 -0.119 0.000 2.209 130 L HA 0.068 4.408 4.340 0.001 0.000 0.207 130 L C 1.132 177.637 176.870 -0.609 0.000 1.094 130 L CA 1.363 55.943 54.840 -0.433 0.000 0.790 130 L CB -0.008 41.661 42.059 -0.649 0.000 0.932 130 L HN -0.110 nan 8.230 nan 0.000 0.447 131 F N -2.331 117.661 119.950 0.071 0.000 2.817 131 F HA 0.342 4.869 4.527 0.000 0.000 0.333 131 F C 0.277 176.103 175.800 0.042 0.000 1.085 131 F CA -0.535 57.492 58.000 0.045 0.000 1.170 131 F CB 0.205 39.242 39.000 0.062 0.000 1.066 131 F HN -0.395 nan 8.300 nan 0.000 0.564 132 V N 2.113 122.155 119.914 0.212 0.000 2.328 132 V HA 0.325 4.446 4.120 0.001 0.000 0.278 132 V C -0.249 175.913 176.094 0.114 0.000 1.021 132 V CA -0.939 61.464 62.300 0.171 0.000 0.838 132 V CB 0.784 32.750 31.823 0.239 0.000 0.999 132 V HN 0.072 nan 8.190 nan 0.000 0.447 133 N N 2.778 121.529 118.700 0.085 0.000 2.493 133 N HA 0.220 4.960 4.740 0.001 0.000 0.275 133 N C 0.017 175.565 175.510 0.064 0.000 1.186 133 N CA -0.410 52.676 53.050 0.059 0.000 0.978 133 N CB 1.111 39.622 38.487 0.040 0.000 1.184 133 N HN 0.738 nan 8.380 nan 0.000 0.487 134 Q N 0.388 120.219 119.800 0.052 0.000 2.304 134 Q HA -0.142 4.198 4.340 0.001 0.000 0.301 134 Q C -0.352 175.674 176.000 0.044 0.000 1.063 134 Q CA 0.832 56.664 55.803 0.048 0.000 0.947 134 Q CB 0.196 28.955 28.738 0.036 0.000 1.201 134 Q HN 0.630 nan 8.270 nan 0.000 0.389 135 D N 1.216 121.644 120.400 0.045 0.000 2.946 135 D HA -0.182 4.459 4.640 0.001 0.000 0.202 135 D C -0.970 175.356 176.300 0.043 0.000 1.068 135 D CA 1.315 55.338 54.000 0.039 0.000 1.011 135 D CB -0.467 40.349 40.800 0.027 0.000 1.105 135 D HN 0.647 nan 8.370 nan 0.000 0.425 136 D N -0.395 120.036 120.400 0.053 0.000 2.363 136 D HA 0.243 4.884 4.640 0.001 0.000 0.240 136 D C 0.270 176.605 176.300 0.058 0.000 1.236 136 D CA 0.650 54.684 54.000 0.057 0.000 0.927 136 D CB 0.605 41.441 40.800 0.059 0.000 1.150 136 D HN 0.011 nan 8.370 nan 0.000 0.458 137 T N 1.392 115.990 114.554 0.074 0.000 2.797 137 T HA 0.396 4.746 4.350 0.001 0.000 0.279 137 T C -0.035 174.673 174.700 0.012 0.000 0.991 137 T CA -0.666 61.483 62.100 0.082 0.000 0.979 137 T CB 0.788 69.769 68.868 0.189 0.000 0.943 137 T HN 0.084 nan 8.240 nan 0.000 0.444 138 I N 4.058 124.604 120.570 -0.039 0.000 2.315 138 I HA 0.349 4.519 4.170 0.001 0.000 0.291 138 I C -0.280 175.798 176.117 -0.064 0.000 1.006 138 I CA -0.987 60.227 61.300 -0.144 0.000 1.265 138 I CB 0.900 38.758 38.000 -0.237 0.000 1.387 138 I HN 0.430 nan 8.210 nan 0.000 0.475 139 L N 9.077 130.258 121.223 -0.071 0.000 2.280 139 L HA 0.662 5.002 4.340 0.001 0.000 0.287 139 L C -0.529 176.383 176.870 0.070 0.000 1.023 139 L CA -0.178 54.682 54.840 0.033 0.000 0.819 139 L CB 0.762 42.807 42.059 -0.024 0.000 1.212 139 L HN 0.569 nan 8.230 nan 0.000 0.420 140 L N 3.112 124.354 121.223 0.032 0.000 2.540 140 L HA 0.814 5.155 4.340 0.001 0.000 0.256 140 L C -2.808 173.700 176.870 -0.603 0.000 1.001 140 L CA -2.073 52.672 54.840 -0.158 0.000 0.843 140 L CB 1.905 43.860 42.059 -0.173 0.000 1.436 140 L HN 0.247 nan 8.230 nan 0.000 0.410 141 P HA 0.071 nan 4.420 nan 0.000 0.269 141 P C 0.008 177.119 177.300 -0.315 0.000 1.209 141 P CA -0.078 62.578 63.100 -0.740 0.000 0.776 141 P CB 0.523 32.060 31.700 -0.272 0.000 0.876 142 E N 1.200 121.253 120.200 -0.245 0.000 2.268 142 E HA -0.197 4.153 4.350 0.001 0.000 0.195 142 E C -0.325 176.159 176.600 -0.193 0.000 0.995 142 E CA 1.006 57.301 56.400 -0.174 0.000 0.836 142 E CB -0.571 29.031 29.700 -0.163 0.000 0.763 142 E HN 0.582 nan 8.360 nan 0.000 0.491 143 H N 1.631 120.688 119.070 -0.022 0.000 2.846 143 H HA 0.267 4.824 4.556 0.001 0.000 0.278 143 H C -0.522 174.836 175.328 0.051 0.000 1.117 143 H CA -0.061 55.992 56.048 0.009 0.000 1.406 143 H CB 0.367 30.166 29.762 0.062 0.000 1.445 143 H HN 0.349 nan 8.280 nan 0.000 0.469 144 N N 0.998 119.792 118.700 0.157 0.000 2.825 144 N HA 0.091 4.831 4.740 0.001 0.000 0.253 144 N C -1.810 173.829 175.510 0.215 0.000 1.426 144 N CA -1.147 52.048 53.050 0.243 0.000 0.851 144 N CB 0.660 39.331 38.487 0.306 0.000 1.470 144 N HN 0.326 nan 8.380 nan 0.000 0.517 145 W N 1.497 122.761 121.300 -0.059 0.000 2.356 145 W HA 0.529 5.190 4.660 0.001 0.000 0.311 145 W C 1.229 177.599 176.519 -0.248 0.000 1.328 145 W CA -0.135 57.042 57.345 -0.281 0.000 1.251 145 W CB 0.571 29.681 29.460 -0.584 0.000 1.280 145 W HN 0.815 nan 8.180 nan 0.000 0.524 146 G N 3.787 112.393 108.800 -0.324 0.000 2.462 146 G HA2 -0.388 3.572 3.960 0.001 0.000 0.220 146 G HA3 -0.388 3.572 3.960 0.001 0.000 0.220 146 G C 1.324 175.881 174.900 -0.572 0.000 1.121 146 G CA 1.063 45.951 45.100 -0.352 0.000 0.758 146 G HN 0.557 nan 8.290 nan 0.000 0.559 147 N N -0.530 117.424 118.700 -1.242 0.000 2.453 147 N HA -0.055 4.685 4.740 0.001 0.000 0.183 147 N C 1.637 176.749 175.510 -0.663 0.000 1.041 147 N CA 0.371 52.723 53.050 -1.163 0.000 0.900 147 N CB -0.205 37.130 38.487 -1.919 0.000 0.961 147 N HN 0.370 nan 8.380 nan 0.000 0.443 148 Y N 0.892 120.977 120.300 -0.358 0.000 2.165 148 Y HA -0.145 4.406 4.550 0.000 0.000 0.286 148 Y C 2.371 178.306 175.900 0.059 0.000 1.155 148 Y CA 1.029 59.154 58.100 0.042 0.000 1.164 148 Y CB -0.564 38.031 38.460 0.223 0.000 0.978 148 Y HN 0.100 nan 8.280 nan 0.000 0.513 149 K N -0.080 120.387 120.400 0.112 0.000 2.057 149 K HA -0.191 4.129 4.320 0.001 0.000 0.207 149 K C 2.081 178.678 176.600 -0.005 0.000 1.049 149 K CA 1.242 57.570 56.287 0.068 0.000 0.931 149 K CB -0.439 32.067 32.500 0.010 0.000 0.714 149 K HN 0.224 nan 8.250 nan 0.000 0.440 150 L N 0.656 121.814 121.223 -0.109 0.000 2.056 150 L HA -0.131 4.209 4.340 0.001 0.000 0.207 150 L C 2.006 178.790 176.870 -0.143 0.000 1.078 150 L CA 1.204 55.966 54.840 -0.129 0.000 0.749 150 L CB -0.178 41.770 42.059 -0.185 0.000 0.901 150 L HN -0.024 nan 8.230 nan 0.000 0.433 151 V N -0.963 118.815 119.914 -0.227 0.000 2.270 151 V HA -0.262 3.858 4.120 0.001 0.000 0.245 151 V C 2.137 178.022 176.094 -0.349 0.000 1.043 151 V CA 2.090 64.163 62.300 -0.379 0.000 1.014 151 V CB -0.638 30.792 31.823 -0.656 0.000 0.645 151 V HN 0.308 nan 8.190 nan 0.000 0.447 152 F N -0.125 119.849 119.950 0.040 0.000 2.374 152 F HA 0.088 4.615 4.527 0.000 0.000 0.291 152 F C 2.281 178.099 175.800 0.028 0.000 1.084 152 F CA 1.083 59.109 58.000 0.043 0.000 1.413 152 F CB -0.528 38.504 39.000 0.052 0.000 1.099 152 F HN 0.151 nan 8.300 nan 0.000 0.534 153 N N 0.072 118.878 118.700 0.177 0.000 2.245 153 N HA -0.103 4.638 4.740 0.001 0.000 0.185 153 N C 1.661 177.202 175.510 0.051 0.000 1.036 153 N CA 1.997 55.108 53.050 0.102 0.000 0.857 153 N CB -0.409 38.124 38.487 0.077 0.000 1.015 153 N HN 0.107 nan 8.380 nan 0.000 0.436 154 T N 1.047 115.611 114.554 0.016 0.000 2.737 154 T HA -0.059 4.291 4.350 0.001 0.000 0.265 154 T C 2.008 176.702 174.700 -0.009 0.000 1.038 154 T CA 1.090 63.186 62.100 -0.006 0.000 1.144 154 T CB 0.040 68.890 68.868 -0.031 0.000 0.866 154 T HN 0.316 nan 8.240 nan 0.000 0.434 155 R N 0.935 121.421 120.500 -0.023 0.000 2.080 155 R HA 0.106 4.446 4.340 0.001 0.000 0.222 155 R C 1.586 177.890 176.300 0.006 0.000 1.107 155 R CA 1.302 57.387 56.100 -0.024 0.000 0.980 155 R CB -0.041 30.223 30.300 -0.060 0.000 0.879 155 R HN 0.297 nan 8.270 nan 0.000 0.439 156 N N -1.137 117.584 118.700 0.035 0.000 2.325 156 N HA 0.147 4.887 4.740 0.001 0.000 0.182 156 N C 0.254 175.815 175.510 0.084 0.000 1.088 156 N CA 0.652 53.748 53.050 0.077 0.000 0.879 156 N CB 1.362 39.938 38.487 0.149 0.000 0.983 156 N HN 0.431 nan 8.380 nan 0.000 0.471 157 G N -0.034 108.810 108.800 0.073 0.000 2.147 157 G HA2 -0.250 3.710 3.960 0.001 0.000 0.244 157 G HA3 -0.250 3.710 3.960 0.001 0.000 0.244 157 G C 0.149 175.093 174.900 0.073 0.000 1.005 157 G CA 0.289 45.426 45.100 0.061 0.000 0.713 157 G HN 0.541 nan 8.290 nan 0.000 0.515 158 A N -0.393 122.490 122.820 0.104 0.000 2.271 158 A HA 0.709 5.029 4.320 0.001 0.000 0.288 158 A C 0.428 178.060 177.584 0.081 0.000 1.094 158 A CA -0.474 51.621 52.037 0.096 0.000 0.828 158 A CB 0.476 19.547 19.000 0.118 0.000 1.091 158 A HN 0.366 nan 8.150 nan 0.000 0.493 159 N N 0.114 118.851 118.700 0.062 0.000 2.498 159 N HA 0.436 5.176 4.740 0.001 0.000 0.287 159 N C -1.408 174.133 175.510 0.053 0.000 1.097 159 N CA -0.332 52.750 53.050 0.054 0.000 0.973 159 N CB 1.441 39.956 38.487 0.046 0.000 1.153 159 N HN 0.359 nan 8.380 nan 0.000 0.472 160 L N 1.369 122.623 121.223 0.051 0.000 2.295 160 L HA 0.290 4.631 4.340 0.001 0.000 0.285 160 L C 0.448 177.345 176.870 0.045 0.000 1.035 160 L CA -0.089 54.777 54.840 0.042 0.000 0.806 160 L CB 1.058 43.146 42.059 0.048 0.000 1.214 160 L HN 0.439 nan 8.230 nan 0.000 0.426 161 Q N 2.093 121.928 119.800 0.058 0.000 2.333 161 Q HA 0.555 4.895 4.340 0.001 0.000 0.265 161 Q C -0.796 175.251 176.000 0.078 0.000 0.989 161 Q CA -0.602 55.251 55.803 0.083 0.000 0.842 161 Q CB 1.486 30.308 28.738 0.139 0.000 1.262 161 Q HN 0.758 nan 8.270 nan 0.000 0.451 162 T N 0.827 115.412 114.554 0.051 0.000 2.943 162 T HA 0.643 4.993 4.350 0.001 0.000 0.284 162 T C -0.677 174.071 174.700 0.079 0.000 1.015 162 T CA -0.531 61.560 62.100 -0.015 0.000 1.042 162 T CB 0.801 69.631 68.868 -0.063 0.000 1.055 162 T HN 0.523 nan 8.240 nan 0.000 0.500 163 Y N -1.678 118.637 120.300 0.026 0.000 2.524 163 Y HA 0.750 5.300 4.550 0.000 0.000 0.347 163 Y C -3.318 172.601 175.900 0.032 0.000 1.005 163 Y CA -3.583 54.531 58.100 0.023 0.000 1.025 163 Y CB 0.552 39.020 38.460 0.014 0.000 1.275 163 Y HN 0.416 nan 8.280 nan 0.000 0.460 164 P HA 0.246 nan 4.420 nan 0.000 0.271 164 P C 0.451 177.832 177.300 0.135 0.000 1.218 164 P CA -0.162 63.017 63.100 0.132 0.000 0.780 164 P CB 1.079 32.861 31.700 0.138 0.000 0.901 165 I N -2.981 117.617 120.570 0.046 0.000 4.240 165 I HA 0.400 4.570 4.170 0.001 0.000 0.331 165 I C -0.477 175.204 176.117 -0.726 0.000 1.381 165 I CA -0.077 61.039 61.300 -0.307 0.000 1.136 165 I CB 0.049 37.925 38.000 -0.208 0.000 1.137 165 I HN -0.050 nan 8.210 nan 0.000 0.411 166 F N 2.350 122.341 119.950 0.068 0.000 2.551 166 F HA 0.471 4.998 4.527 0.000 0.000 0.316 166 F C 0.101 175.986 175.800 0.142 0.000 1.089 166 F CA -1.129 56.950 58.000 0.131 0.000 0.915 166 F CB 1.256 40.463 39.000 0.345 0.000 1.186 166 F HN 0.010 nan 8.300 nan 0.000 0.456 167 D N 1.009 121.576 120.400 0.278 0.000 2.478 167 D HA 0.185 4.825 4.640 0.001 0.000 0.274 167 D C 0.935 177.349 176.300 0.190 0.000 1.234 167 D CA -0.424 53.690 54.000 0.191 0.000 1.069 167 D CB 0.533 41.421 40.800 0.146 0.000 1.113 167 D HN 0.371 nan 8.370 nan 0.000 0.571 168 K N -0.819 119.660 120.400 0.133 0.000 2.089 168 K HA -0.151 4.169 4.320 0.001 0.000 0.210 168 K C 0.531 177.163 176.600 0.053 0.000 1.048 168 K CA 1.659 58.005 56.287 0.099 0.000 0.926 168 K CB -0.240 32.311 32.500 0.085 0.000 0.714 168 K HN 0.486 nan 8.250 nan 0.000 0.448 169 D N -0.959 119.458 120.400 0.029 0.000 2.342 169 D HA 0.075 4.715 4.640 0.001 0.000 0.221 169 D C 0.906 177.012 176.300 -0.323 0.000 1.101 169 D CA 0.542 54.489 54.000 -0.090 0.000 0.837 169 D CB 0.742 41.536 40.800 -0.010 0.000 0.938 169 D HN 0.404 nan 8.370 nan 0.000 0.508 170 G N 1.201 109.892 108.800 -0.181 0.000 2.159 170 G HA2 -0.266 3.695 3.960 0.001 0.000 0.256 170 G HA3 -0.266 3.695 3.960 0.001 0.000 0.256 170 G C 0.022 174.984 174.900 0.103 0.000 0.977 170 G CA -0.067 44.900 45.100 -0.222 0.000 0.652 170 G HN 0.495 nan 8.290 nan 0.000 0.531 171 H N -1.075 118.190 119.070 0.325 0.000 2.502 171 H HA 0.471 5.028 4.556 0.001 0.000 0.327 171 H C 0.270 175.795 175.328 0.328 0.000 1.099 171 H CA -0.787 55.459 56.048 0.330 0.000 1.323 171 H CB 0.848 30.730 29.762 0.201 0.000 1.450 171 H HN 0.275 nan 8.280 nan 0.000 0.502 172 Y N 2.337 122.749 120.300 0.187 0.000 2.702 172 Y HA 0.055 4.605 4.550 0.001 0.000 0.336 172 Y C 0.274 176.100 175.900 -0.124 0.000 1.235 172 Y CA 0.629 58.535 58.100 -0.323 0.000 1.492 172 Y CB 0.684 38.617 38.460 -0.879 0.000 1.308 172 Y HN 0.563 nan 8.280 nan 0.000 0.589 173 T N 3.703 117.770 114.554 -0.812 0.000 2.933 173 T HA 0.253 4.603 4.350 0.001 0.000 0.305 173 T C 0.398 174.741 174.700 -0.596 0.000 1.092 173 T CA -0.062 61.768 62.100 -0.449 0.000 1.008 173 T CB 0.912 69.670 68.868 -0.183 0.000 1.102 173 T HN 0.753 nan 8.240 nan 0.000 0.469 174 T N 0.494 114.884 114.554 -0.273 0.000 3.107 174 T HA 0.135 4.485 4.350 0.001 0.000 0.249 174 T C 1.039 175.663 174.700 -0.127 0.000 1.096 174 T CA 0.173 62.171 62.100 -0.171 0.000 1.012 174 T CB -0.044 68.794 68.868 -0.050 0.000 0.977 174 T HN 0.520 nan 8.240 nan 0.000 0.527 175 D N 2.336 122.673 120.400 -0.106 0.000 2.123 175 D HA -0.063 4.577 4.640 0.001 0.000 0.196 175 D C 2.253 178.515 176.300 -0.064 0.000 0.992 175 D CA 1.262 55.222 54.000 -0.066 0.000 0.833 175 D CB -0.316 40.462 40.800 -0.037 0.000 0.954 175 D HN 0.396 nan 8.370 nan 0.000 0.455 176 S N 0.378 116.046 115.700 -0.054 0.000 2.387 176 S HA -0.081 4.389 4.470 0.001 0.000 0.226 176 S C 1.844 176.386 174.600 -0.097 0.000 1.026 176 S CA 0.159 58.350 58.200 -0.014 0.000 0.972 176 S CB -0.136 63.105 63.200 0.068 0.000 0.814 176 S HN 0.161 nan 8.310 nan 0.000 0.477 177 L N 2.128 123.220 121.223 -0.219 0.000 2.017 177 L HA -0.024 4.316 4.340 0.001 0.000 0.208 177 L C 2.164 178.842 176.870 -0.321 0.000 1.073 177 L CA 1.618 56.129 54.840 -0.548 0.000 0.745 177 L CB -0.804 40.936 42.059 -0.532 0.000 0.894 177 L HN 0.115 nan 8.230 nan 0.000 0.432 178 V N 0.044 119.845 119.914 -0.189 0.000 2.332 178 V HA -0.327 3.793 4.120 0.001 0.000 0.248 178 V C 2.632 178.669 176.094 -0.095 0.000 1.055 178 V CA 2.099 64.323 62.300 -0.126 0.000 1.038 178 V CB -0.734 31.036 31.823 -0.087 0.000 0.651 178 V HN 0.640 nan 8.190 nan 0.000 0.450 179 E N 0.169 120.323 120.200 -0.076 0.000 2.085 179 E HA -0.246 4.104 4.350 0.001 0.000 0.194 179 E C 2.242 178.824 176.600 -0.031 0.000 0.994 179 E CA 1.450 57.826 56.400 -0.039 0.000 0.801 179 E CB -0.244 29.445 29.700 -0.019 0.000 0.743 179 E HN 0.566 nan 8.360 nan 0.000 0.453 180 A N 1.041 123.825 122.820 -0.060 0.000 1.902 180 A HA -0.163 4.158 4.320 0.001 0.000 0.217 180 A C 2.218 179.798 177.584 -0.006 0.000 1.181 180 A CA 1.312 53.333 52.037 -0.027 0.000 0.623 180 A CB -0.685 18.264 19.000 -0.086 0.000 0.818 180 A HN 0.322 nan 8.150 nan 0.000 0.443 181 L N -1.046 120.125 121.223 -0.087 0.000 2.141 181 L HA -0.217 4.124 4.340 0.001 0.000 0.209 181 L C 2.809 179.686 176.870 0.011 0.000 1.094 181 L CA 1.350 56.152 54.840 -0.063 0.000 0.763 181 L CB -0.555 41.428 42.059 -0.127 0.000 0.908 181 L HN 0.485 nan 8.230 nan 0.000 0.437 182 Q N -0.377 119.420 119.800 -0.005 0.000 2.172 182 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 182 Q C 2.270 178.288 176.000 0.030 0.000 0.964 182 Q CA 1.715 57.523 55.803 0.008 0.000 0.855 182 Q CB 0.027 28.760 28.738 -0.008 0.000 0.918 182 Q HN 0.580 nan 8.270 nan 0.000 0.444 183 S N -1.223 114.503 115.700 0.042 0.000 2.548 183 S HA -0.013 4.458 4.470 0.001 0.000 0.215 183 S C 0.319 174.952 174.600 0.055 0.000 0.976 183 S CA -0.525 57.698 58.200 0.038 0.000 0.908 183 S CB -0.184 63.033 63.200 0.028 0.000 0.781 183 S HN 0.286 nan 8.310 nan 0.000 0.519 184 Y N 4.876 125.162 120.300 -0.024 0.000 2.632 184 Y HA 0.202 4.753 4.550 0.001 0.000 0.329 184 Y C 0.848 176.739 175.900 -0.015 0.000 1.174 184 Y CA 0.009 58.097 58.100 -0.020 0.000 1.469 184 Y CB 0.384 38.827 38.460 -0.029 0.000 1.242 184 Y HN 0.396 nan 8.280 nan 0.000 0.540 185 N N 3.727 122.111 118.700 -0.526 0.000 2.238 185 N HA 0.131 4.871 4.740 0.001 0.000 0.235 185 N C -1.002 174.312 175.510 -0.327 0.000 1.209 185 N CA -0.246 52.624 53.050 -0.299 0.000 0.879 185 N CB 0.270 38.641 38.487 -0.194 0.000 1.136 185 N HN 0.477 nan 8.380 nan 0.000 0.517 186 K N 0.099 120.190 120.400 -0.515 0.000 2.238 186 K HA 0.204 4.524 4.320 0.001 0.000 0.239 186 K C -0.068 176.557 176.600 0.041 0.000 0.987 186 K CA -0.600 55.560 56.287 -0.211 0.000 0.857 186 K CB 1.256 33.619 32.500 -0.228 0.000 1.154 186 K HN -0.028 nan 8.250 nan 0.000 0.439 187 D N 0.254 120.686 120.400 0.054 0.000 2.349 187 D HA -0.034 4.606 4.640 0.001 0.000 0.224 187 D C -0.149 176.211 176.300 0.100 0.000 1.029 187 D CA 0.600 54.644 54.000 0.074 0.000 0.879 187 D CB 0.273 41.097 40.800 0.041 0.000 0.906 187 D HN 0.229 nan 8.370 nan 0.000 0.528 188 K N -0.394 120.096 120.400 0.151 0.000 2.542 188 K HA 0.544 4.864 4.320 0.001 0.000 0.259 188 K C -2.260 174.438 176.600 0.164 0.000 0.932 188 K CA -0.996 55.358 56.287 0.112 0.000 0.820 188 K CB 2.811 35.353 32.500 0.069 0.000 1.345 188 K HN -0.092 nan 8.250 nan 0.000 0.432 189 V N 4.866 124.790 119.914 0.017 0.000 2.971 189 V HA 0.566 4.686 4.120 0.001 0.000 0.309 189 V C -1.711 174.308 176.094 -0.124 0.000 1.130 189 V CA -0.822 61.424 62.300 -0.090 0.000 0.964 189 V CB 1.944 33.490 31.823 -0.462 0.000 1.029 189 V HN 0.708 nan 8.190 nan 0.000 0.427 190 I N 6.574 127.063 120.570 -0.135 0.000 2.354 190 I HA 0.477 4.647 4.170 0.001 0.000 0.286 190 I C 0.221 176.212 176.117 -0.209 0.000 1.007 190 I CA 0.106 61.298 61.300 -0.180 0.000 1.167 190 I CB 1.482 39.350 38.000 -0.220 0.000 1.320 190 I HN 0.490 nan 8.210 nan 0.000 0.458 191 M N 6.434 125.928 119.600 -0.177 0.000 2.233 191 M HA 0.531 5.012 4.480 0.001 0.000 0.355 191 M C -0.565 175.647 176.300 -0.146 0.000 1.191 191 M CA -0.270 54.949 55.300 -0.135 0.000 1.101 191 M CB 1.391 33.936 32.600 -0.092 0.000 1.592 191 M HN 0.356 nan 8.290 nan 0.000 0.461 192 I N 4.355 124.828 120.570 -0.162 0.000 2.362 192 I HA 0.398 4.568 4.170 0.001 0.000 0.289 192 I C -0.983 175.084 176.117 -0.082 0.000 0.994 192 I CA -0.515 60.666 61.300 -0.198 0.000 1.158 192 I CB 1.206 38.921 38.000 -0.475 0.000 1.315 192 I HN 0.541 nan 8.210 nan 0.000 0.451 193 L N 6.936 128.153 121.223 -0.010 0.000 2.319 193 L HA 0.445 4.785 4.340 0.001 0.000 0.281 193 L C -0.200 176.667 176.870 -0.004 0.000 1.005 193 L CA -0.285 54.583 54.840 0.046 0.000 0.828 193 L CB 1.321 43.500 42.059 0.200 0.000 1.227 193 L HN 0.616 nan 8.230 nan 0.000 0.415 194 N N 3.578 122.134 118.700 -0.240 0.000 2.623 194 N HA 0.336 5.076 4.740 0.001 0.000 0.256 194 N C -1.936 173.392 175.510 -0.304 0.000 1.045 194 N CA -0.367 52.627 53.050 -0.094 0.000 0.863 194 N CB 0.899 39.453 38.487 0.112 0.000 1.182 194 N HN 0.400 nan 8.380 nan 0.000 0.523 195 Y N 1.886 122.335 120.300 0.248 0.000 2.354 195 Y HA 0.409 4.960 4.550 0.001 0.000 0.330 195 Y C -2.246 173.821 175.900 0.278 0.000 1.011 195 Y CA -1.942 56.298 58.100 0.234 0.000 1.099 195 Y CB 1.798 40.373 38.460 0.192 0.000 1.179 195 Y HN 0.459 nan 8.280 nan 0.000 0.442 196 P HA -0.045 nan 4.420 nan 0.000 0.266 196 P C -0.258 177.158 177.300 0.194 0.000 1.195 196 P CA -0.034 63.222 63.100 0.260 0.000 0.768 196 P CB 0.669 32.412 31.700 0.071 0.000 0.838 197 N N 2.814 121.637 118.700 0.204 0.000 2.518 197 N HA 0.057 4.797 4.740 0.001 0.000 0.283 197 N C -0.650 174.891 175.510 0.051 0.000 1.119 197 N CA -0.236 52.901 53.050 0.144 0.000 0.983 197 N CB 0.323 38.975 38.487 0.276 0.000 1.139 197 N HN 0.267 nan 8.380 nan 0.000 0.465 198 N N 3.565 122.300 118.700 0.058 0.000 2.444 198 N HA 0.322 5.062 4.740 0.001 0.000 0.262 198 N C -2.200 173.340 175.510 0.049 0.000 0.974 198 N CA -2.066 50.993 53.050 0.015 0.000 0.933 198 N CB 1.559 40.061 38.487 0.026 0.000 1.137 198 N HN 0.411 nan 8.380 nan 0.000 0.498 199 P HA 0.158 nan 4.420 nan 0.000 0.275 199 P C 0.424 177.719 177.300 -0.008 0.000 1.310 199 P CA 0.220 63.229 63.100 -0.151 0.000 0.904 199 P CB 0.308 31.899 31.700 -0.183 0.000 1.381 200 T N -5.346 109.262 114.554 0.089 0.000 3.044 200 T HA 0.294 4.644 4.350 0.001 0.000 0.250 200 T C 1.510 176.415 174.700 0.342 0.000 1.081 200 T CA 0.713 62.888 62.100 0.126 0.000 1.040 200 T CB -0.954 67.969 68.868 0.092 0.000 0.962 200 T HN 0.132 nan 8.240 nan 0.000 0.506 201 G N 0.933 109.932 108.800 0.331 0.000 2.198 201 G HA2 -0.291 3.669 3.960 0.001 0.000 0.260 201 G HA3 -0.291 3.669 3.960 0.001 0.000 0.260 201 G C -0.245 174.935 174.900 0.468 0.000 1.025 201 G CA 0.317 45.632 45.100 0.359 0.000 0.769 201 G HN 0.762 nan 8.290 nan 0.000 0.507 202 Y N 1.060 121.593 120.300 0.387 0.000 2.323 202 Y HA 0.624 5.174 4.550 0.001 0.000 0.331 202 Y C 0.371 176.450 175.900 0.297 0.000 1.092 202 Y CA -0.145 58.175 58.100 0.367 0.000 1.150 202 Y CB 1.742 40.493 38.460 0.485 0.000 1.200 202 Y HN 0.097 nan 8.280 nan 0.000 0.472 203 T N 8.661 122.861 114.554 -0.589 0.000 2.848 203 T HA 0.373 4.724 4.350 0.001 0.000 0.285 203 T C -2.822 171.260 174.700 -1.029 0.000 0.995 203 T CA -1.483 60.344 62.100 -0.456 0.000 0.970 203 T CB 1.672 70.474 68.868 -0.110 0.000 0.976 203 T HN 0.417 nan 8.240 nan 0.000 0.441 204 P HA 0.209 nan 4.420 nan 0.000 0.274 204 P C 0.181 177.289 177.300 -0.321 0.000 1.246 204 P CA -0.372 62.379 63.100 -0.581 0.000 0.795 204 P CB 0.254 31.620 31.700 -0.558 0.000 1.006 205 T N -2.454 112.000 114.554 -0.167 0.000 2.788 205 T HA 0.046 4.397 4.350 0.001 0.000 0.287 205 T C 1.321 176.006 174.700 -0.025 0.000 1.007 205 T CA 0.232 62.296 62.100 -0.059 0.000 1.005 205 T CB -0.004 68.862 68.868 -0.003 0.000 1.012 205 T HN 0.451 nan 8.240 nan 0.000 0.530 206 H N 0.708 119.758 119.070 -0.032 0.000 2.352 206 H HA -0.085 4.472 4.556 0.001 0.000 0.299 206 H C 2.130 177.389 175.328 -0.115 0.000 1.097 206 H CA 2.370 58.391 56.048 -0.045 0.000 1.311 206 H CB -0.262 29.531 29.762 0.052 0.000 1.377 206 H HN 0.690 nan 8.280 nan 0.000 0.504 207 K N 0.687 121.012 120.400 -0.125 0.000 2.044 207 K HA -0.160 4.160 4.320 0.001 0.000 0.210 207 K C 2.219 178.722 176.600 -0.163 0.000 1.049 207 K CA 2.157 58.348 56.287 -0.160 0.000 0.927 207 K CB -0.159 32.314 32.500 -0.044 0.000 0.713 207 K HN 0.552 nan 8.250 nan 0.000 0.443 208 E N -0.687 119.451 120.200 -0.103 0.000 2.072 208 E HA -0.125 4.225 4.350 0.001 0.000 0.191 208 E C 1.951 178.465 176.600 -0.144 0.000 0.985 208 E CA 1.228 57.595 56.400 -0.055 0.000 0.801 208 E CB 0.016 29.744 29.700 0.045 0.000 0.750 208 E HN 0.048 nan 8.360 nan 0.000 0.452 209 V N 1.201 120.952 119.914 -0.272 0.000 2.343 209 V HA -0.274 3.846 4.120 0.001 0.000 0.247 209 V C 2.271 178.166 176.094 -0.332 0.000 1.051 209 V CA 2.160 64.237 62.300 -0.371 0.000 1.036 209 V CB -0.729 30.665 31.823 -0.715 0.000 0.654 209 V HN 0.357 nan 8.190 nan 0.000 0.451 210 T N -0.402 113.923 114.554 -0.382 0.000 2.684 210 T HA -0.235 4.115 4.350 0.001 0.000 0.267 210 T C 1.952 176.538 174.700 -0.191 0.000 1.036 210 T CA 2.238 64.153 62.100 -0.308 0.000 1.148 210 T CB -0.477 68.171 68.868 -0.366 0.000 0.863 210 T HN 0.557 nan 8.240 nan 0.000 0.436 211 T N 2.058 116.517 114.554 -0.158 0.000 2.684 211 T HA -0.023 4.328 4.350 0.001 0.000 0.267 211 T C 1.987 176.629 174.700 -0.096 0.000 1.036 211 T CA 1.061 63.098 62.100 -0.105 0.000 1.148 211 T CB -0.467 68.356 68.868 -0.075 0.000 0.863 211 T HN 0.314 nan 8.240 nan 0.000 0.436 212 I N 1.429 121.941 120.570 -0.095 0.000 2.142 212 I HA -0.190 3.981 4.170 0.001 0.000 0.240 212 I C 2.675 178.740 176.117 -0.087 0.000 1.078 212 I CA 1.309 62.565 61.300 -0.074 0.000 1.343 212 I CB -0.546 37.431 38.000 -0.039 0.000 1.046 212 I HN 0.183 nan 8.210 nan 0.000 0.405 213 V N -1.780 118.069 119.914 -0.108 0.000 2.548 213 V HA -0.144 3.976 4.120 0.001 0.000 0.249 213 V C 2.166 178.204 176.094 -0.094 0.000 1.055 213 V CA 1.386 63.625 62.300 -0.102 0.000 1.065 213 V CB -0.805 30.945 31.823 -0.122 0.000 0.681 213 V HN 0.365 nan 8.190 nan 0.000 0.462 214 E N 1.445 121.587 120.200 -0.095 0.000 2.077 214 E HA -0.145 4.205 4.350 0.001 0.000 0.193 214 E C 2.436 178.994 176.600 -0.071 0.000 0.989 214 E CA 1.603 57.956 56.400 -0.078 0.000 0.800 214 E CB -0.412 29.242 29.700 -0.077 0.000 0.746 214 E HN 0.719 nan 8.360 nan 0.000 0.452 215 A N 1.377 124.150 122.820 -0.079 0.000 1.902 215 A HA -0.150 4.170 4.320 0.001 0.000 0.217 215 A C 2.259 179.793 177.584 -0.084 0.000 1.181 215 A CA 1.044 53.032 52.037 -0.080 0.000 0.623 215 A CB -0.591 18.351 19.000 -0.096 0.000 0.818 215 A HN 0.138 nan 8.150 nan 0.000 0.443 216 I N -0.727 119.790 120.570 -0.089 0.000 2.252 216 I HA -0.233 3.938 4.170 0.001 0.000 0.245 216 I C 2.498 178.570 176.117 -0.075 0.000 1.102 216 I CA 1.754 62.999 61.300 -0.092 0.000 1.385 216 I CB -0.223 37.724 38.000 -0.089 0.000 1.064 216 I HN 0.372 nan 8.210 nan 0.000 0.414 217 K N 1.506 121.866 120.400 -0.067 0.000 2.103 217 K HA -0.194 4.127 4.320 0.001 0.000 0.207 217 K C 2.154 178.729 176.600 -0.042 0.000 1.048 217 K CA 1.570 57.825 56.287 -0.053 0.000 0.930 217 K CB -0.117 32.353 32.500 -0.050 0.000 0.716 217 K HN 0.289 nan 8.250 nan 0.000 0.444 218 A N 0.949 123.743 122.820 -0.044 0.000 1.930 218 A HA -0.123 4.198 4.320 0.001 0.000 0.217 218 A C 2.028 179.596 177.584 -0.027 0.000 1.175 218 A CA 1.322 53.339 52.037 -0.033 0.000 0.627 218 A CB -0.602 18.377 19.000 -0.035 0.000 0.815 218 A HN 0.393 nan 8.150 nan 0.000 0.443 219 L N -0.132 121.069 121.223 -0.037 0.000 2.046 219 L HA -0.036 4.304 4.340 0.001 0.000 0.208 219 L C 2.646 179.505 176.870 -0.017 0.000 1.077 219 L CA 2.185 57.009 54.840 -0.027 0.000 0.747 219 L CB -0.931 41.091 42.059 -0.061 0.000 0.896 219 L HN 0.335 nan 8.230 nan 0.000 0.432 220 A N -0.303 122.498 122.820 -0.032 0.000 1.908 220 A HA -0.242 4.078 4.320 0.001 0.000 0.218 220 A C 2.039 179.619 177.584 -0.008 0.000 1.181 220 A CA 1.998 54.021 52.037 -0.023 0.000 0.627 220 A CB -0.853 18.128 19.000 -0.033 0.000 0.818 220 A HN 0.617 nan 8.150 nan 0.000 0.445 221 N N -0.259 118.435 118.700 -0.009 0.000 2.453 221 N HA -0.060 4.681 4.740 0.001 0.000 0.183 221 N C 1.283 176.794 175.510 0.003 0.000 1.041 221 N CA 0.981 54.029 53.050 -0.003 0.000 0.900 221 N CB -0.218 38.265 38.487 -0.006 0.000 0.961 221 N HN 0.572 nan 8.380 nan 0.000 0.443 222 K N -0.521 119.883 120.400 0.006 0.000 2.486 222 K HA 0.100 4.421 4.320 0.001 0.000 0.194 222 K C 0.838 177.450 176.600 0.020 0.000 1.033 222 K CA 0.531 56.826 56.287 0.013 0.000 1.004 222 K CB 0.322 32.834 32.500 0.019 0.000 0.798 222 K HN 0.219 nan 8.250 nan 0.000 0.495 223 G N 0.684 109.496 108.800 0.020 0.000 2.175 223 G HA2 -0.178 3.782 3.960 0.001 0.000 0.182 223 G HA3 -0.178 3.782 3.960 0.001 0.000 0.182 223 G C 0.005 174.927 174.900 0.036 0.000 1.003 223 G CA -0.328 44.786 45.100 0.025 0.000 0.666 223 G HN 0.209 nan 8.290 nan 0.000 0.506 224 T N 2.034 116.614 114.554 0.043 0.000 2.771 224 T HA 0.469 4.820 4.350 0.001 0.000 0.291 224 T C 0.403 175.116 174.700 0.021 0.000 0.954 224 T CA -0.182 61.955 62.100 0.061 0.000 1.045 224 T CB 1.167 70.100 68.868 0.109 0.000 0.917 224 T HN 0.316 nan 8.240 nan 0.000 0.484 225 K N 2.393 122.806 120.400 0.022 0.000 2.339 225 K HA 0.398 4.718 4.320 0.001 0.000 0.286 225 K C -0.649 175.926 176.600 -0.041 0.000 1.050 225 K CA -0.453 55.830 56.287 -0.007 0.000 0.956 225 K CB 0.737 33.239 32.500 0.003 0.000 0.990 225 K HN 0.274 nan 8.250 nan 0.000 0.475 226 V N 5.385 125.257 119.914 -0.070 0.000 2.378 226 V HA 0.241 4.361 4.120 0.001 0.000 0.288 226 V C -0.398 175.618 176.094 -0.130 0.000 1.016 226 V CA -0.903 61.333 62.300 -0.107 0.000 0.840 226 V CB 0.965 32.723 31.823 -0.109 0.000 0.994 226 V HN 0.552 nan 8.190 nan 0.000 0.431 227 I N 4.541 125.015 120.570 -0.159 0.000 2.301 227 I HA 0.540 4.710 4.170 0.001 0.000 0.292 227 I C 0.702 176.731 176.117 -0.147 0.000 1.046 227 I CA 0.176 61.351 61.300 -0.210 0.000 1.282 227 I CB 1.427 39.248 38.000 -0.298 0.000 1.409 227 I HN 0.658 nan 8.210 nan 0.000 0.484 228 A N 7.006 129.766 122.820 -0.101 0.000 2.412 228 A HA 0.620 4.941 4.320 0.001 0.000 0.334 228 A C -0.322 177.260 177.584 -0.004 0.000 1.419 228 A CA -0.534 51.472 52.037 -0.052 0.000 0.930 228 A CB 0.094 19.073 19.000 -0.035 0.000 1.149 228 A HN 0.427 nan 8.150 nan 0.000 0.515 229 V N 3.387 123.288 119.914 -0.023 0.000 2.455 229 V HA 0.165 4.285 4.120 0.001 0.000 0.273 229 V C 0.118 176.241 176.094 0.048 0.000 1.045 229 V CA -0.189 62.120 62.300 0.015 0.000 0.976 229 V CB 1.194 33.013 31.823 -0.006 0.000 0.993 229 V HN 0.518 nan 8.190 nan 0.000 0.475 230 V N 4.504 124.472 119.914 0.089 0.000 2.294 230 V HA 0.251 4.371 4.120 0.001 0.000 0.272 230 V C 0.110 176.261 176.094 0.095 0.000 1.027 230 V CA -0.490 61.882 62.300 0.121 0.000 0.823 230 V CB 1.367 33.297 31.823 0.180 0.000 1.030 230 V HN 0.867 nan 8.190 nan 0.000 0.457 231 D N 3.731 124.201 120.400 0.117 0.000 2.422 231 D HA 0.136 4.777 4.640 0.001 0.000 0.227 231 D C 0.065 176.433 176.300 0.114 0.000 1.190 231 D CA -0.208 53.869 54.000 0.128 0.000 0.905 231 D CB 1.099 42.037 40.800 0.230 0.000 1.034 231 D HN 0.433 nan 8.370 nan 0.000 0.507 232 D N 2.944 123.383 120.400 0.065 0.000 2.561 232 D HA 0.184 4.824 4.640 0.001 0.000 0.232 232 D C 1.606 177.906 176.300 0.001 0.000 1.198 232 D CA -0.111 53.943 54.000 0.089 0.000 0.826 232 D CB 0.498 41.321 40.800 0.038 0.000 0.992 232 D HN 0.479 nan 8.370 nan 0.000 0.490 233 A N -0.190 122.553 122.820 -0.128 0.000 1.903 233 A HA -0.253 4.068 4.320 0.001 0.000 0.219 233 A C 1.160 178.372 177.584 -0.620 0.000 1.191 233 A CA 1.426 53.189 52.037 -0.456 0.000 0.638 233 A CB -0.701 17.857 19.000 -0.737 0.000 0.823 233 A HN 0.401 nan 8.150 nan 0.000 0.451 234 Y N -2.792 117.405 120.300 -0.173 0.000 2.571 234 Y HA 0.291 4.841 4.550 0.000 0.000 0.275 234 Y C 0.397 176.131 175.900 -0.276 0.000 1.179 234 Y CA -1.058 56.873 58.100 -0.281 0.000 1.242 234 Y CB -0.674 37.596 38.460 -0.317 0.000 1.126 234 Y HN 0.368 nan 8.280 nan 0.000 0.524 235 Y N 1.379 121.576 120.300 -0.170 0.000 2.811 235 Y HA 0.278 4.828 4.550 0.001 0.000 0.334 235 Y C 1.424 177.078 175.900 -0.410 0.000 1.247 235 Y CA 1.206 59.177 58.100 -0.215 0.000 1.526 235 Y CB 0.421 38.852 38.460 -0.048 0.000 1.284 235 Y HN 0.470 nan 8.280 nan 0.000 0.586 236 G N 4.139 111.919 108.800 -1.700 0.000 2.241 236 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 236 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 236 G C 0.152 174.418 174.900 -1.056 0.000 0.998 236 G CA 0.150 44.493 45.100 -1.262 0.000 0.621 236 G HN 0.674 nan 8.290 nan 0.000 0.519 237 L N 1.674 122.261 121.223 -1.059 0.000 2.583 237 L HA 0.455 4.795 4.340 0.001 0.000 0.239 237 L C -0.330 175.896 176.870 -1.073 0.000 1.347 237 L CA -0.376 54.055 54.840 -0.683 0.000 1.246 237 L CB -0.524 41.342 42.059 -0.322 0.000 1.496 237 L HN 0.062 nan 8.230 nan 0.000 0.413 238 F N -0.624 118.986 119.950 -0.567 0.000 2.411 238 F HA 0.321 4.848 4.527 0.000 0.000 0.352 238 F C 0.364 175.894 175.800 -0.451 0.000 1.123 238 F CA -0.761 56.892 58.000 -0.579 0.000 1.044 238 F CB 0.867 39.661 39.000 -0.344 0.000 1.135 238 F HN 0.085 nan 8.300 nan 0.000 0.461 239 Y N -0.316 119.937 120.300 -0.078 0.000 2.481 239 Y HA 0.340 4.891 4.550 0.001 0.000 0.247 239 Y C 0.545 176.365 175.900 -0.134 0.000 1.151 239 Y CA -0.353 57.627 58.100 -0.200 0.000 1.238 239 Y CB -0.019 38.073 38.460 -0.613 0.000 1.179 239 Y HN 0.362 nan 8.280 nan 0.000 0.524 240 E N -0.451 119.736 120.200 -0.021 0.000 2.450 240 E HA 0.134 4.484 4.350 0.001 0.000 0.272 240 E C -1.183 175.384 176.600 -0.055 0.000 0.967 240 E CA -0.696 55.701 56.400 -0.005 0.000 0.818 240 E CB 1.249 30.945 29.700 -0.007 0.000 1.401 240 E HN -0.166 nan 8.360 nan 0.000 0.450 241 D N 1.903 122.273 120.400 -0.050 0.000 2.508 241 D HA 0.192 4.833 4.640 0.001 0.000 0.224 241 D C -0.323 175.911 176.300 -0.110 0.000 1.171 241 D CA -0.009 53.945 54.000 -0.075 0.000 1.006 241 D CB -0.453 40.321 40.800 -0.043 0.000 1.073 241 D HN 0.263 nan 8.370 nan 0.000 0.513 242 V N 1.186 120.984 119.914 -0.194 0.000 3.204 242 V HA 0.492 4.612 4.120 0.001 0.000 0.316 242 V C -0.178 175.767 176.094 -0.249 0.000 1.160 242 V CA -1.245 60.916 62.300 -0.231 0.000 1.044 242 V CB 0.937 32.555 31.823 -0.341 0.000 1.136 242 V HN 0.193 nan 8.190 nan 0.000 0.455 243 Y N 1.621 121.727 120.300 -0.324 0.000 2.605 243 Y HA 0.348 4.899 4.550 0.001 0.000 0.336 243 Y C 1.497 177.091 175.900 -0.510 0.000 1.111 243 Y CA 0.846 58.780 58.100 -0.277 0.000 1.422 243 Y CB 1.009 39.377 38.460 -0.153 0.000 1.193 243 Y HN 0.943 nan 8.280 nan 0.000 0.526 244 T N 1.040 115.110 114.554 -0.807 0.000 3.054 244 T HA 0.233 4.583 4.350 0.001 0.000 0.255 244 T C 0.329 174.808 174.700 -0.369 0.000 1.035 244 T CA -0.216 61.380 62.100 -0.839 0.000 0.941 244 T CB 0.005 68.546 68.868 -0.545 0.000 1.026 244 T HN 0.625 nan 8.240 nan 0.000 0.533 245 Q N 1.612 121.026 119.800 -0.642 0.000 2.317 245 Q HA 0.492 4.832 4.340 0.001 0.000 0.229 245 Q C 0.025 176.069 176.000 0.074 0.000 0.984 245 Q CA -0.517 55.130 55.803 -0.261 0.000 0.911 245 Q CB 1.108 29.596 28.738 -0.417 0.000 1.217 245 Q HN 0.314 nan 8.270 nan 0.000 0.501 246 S N 0.172 115.969 115.700 0.162 0.000 2.572 246 S HA 0.028 4.498 4.470 0.001 0.000 0.279 246 S C 0.978 175.804 174.600 0.376 0.000 1.341 246 S CA -0.473 57.852 58.200 0.208 0.000 1.043 246 S CB 0.334 63.523 63.200 -0.018 0.000 0.887 246 S HN 0.493 nan 8.310 nan 0.000 0.516 247 L N 4.651 126.103 121.223 0.382 0.000 2.353 247 L HA 0.052 4.392 4.340 0.001 0.000 0.220 247 L C 1.780 178.783 176.870 0.222 0.000 1.133 247 L CA 1.185 56.201 54.840 0.293 0.000 0.798 247 L CB -0.966 41.236 42.059 0.238 0.000 0.922 247 L HN 0.850 nan 8.230 nan 0.000 0.445 248 F N 0.363 120.361 119.950 0.079 0.000 2.120 248 F HA -0.304 4.224 4.527 0.000 0.000 0.300 248 F C 2.348 178.160 175.800 0.021 0.000 1.095 248 F CA 2.149 60.165 58.000 0.025 0.000 1.249 248 F CB -0.466 38.527 39.000 -0.011 0.000 0.995 248 F HN 0.049 nan 8.300 nan 0.000 0.480 249 T N 0.580 115.200 114.554 0.111 0.000 2.701 249 T HA -0.145 4.206 4.350 0.001 0.000 0.263 249 T C 2.258 176.933 174.700 -0.042 0.000 1.040 249 T CA 1.460 63.562 62.100 0.003 0.000 1.147 249 T CB -0.954 67.987 68.868 0.121 0.000 0.865 249 T HN 0.374 nan 8.240 nan 0.000 0.426 250 A N 1.219 124.079 122.820 0.067 0.000 1.917 250 A HA -0.052 4.268 4.320 0.001 0.000 0.219 250 A C 2.314 179.831 177.584 -0.111 0.000 1.182 250 A CA 1.421 53.453 52.037 -0.010 0.000 0.633 250 A CB -0.920 18.037 19.000 -0.072 0.000 0.819 250 A HN 0.478 nan 8.150 nan 0.000 0.448 251 L N -1.144 119.997 121.223 -0.136 0.000 2.109 251 L HA -0.109 4.231 4.340 0.001 0.000 0.207 251 L C 2.734 179.438 176.870 -0.276 0.000 1.086 251 L CA 1.600 56.335 54.840 -0.176 0.000 0.760 251 L CB -0.666 41.313 42.059 -0.133 0.000 0.910 251 L HN 0.327 nan 8.230 nan 0.000 0.437 252 T N -0.666 113.637 114.554 -0.417 0.000 2.821 252 T HA -0.097 4.253 4.350 0.001 0.000 0.267 252 T C 1.546 175.931 174.700 -0.524 0.000 1.046 252 T CA 1.037 62.843 62.100 -0.490 0.000 1.139 252 T CB -0.214 68.256 68.868 -0.663 0.000 0.871 252 T HN 0.245 nan 8.240 nan 0.000 0.454 253 N N 1.222 119.671 118.700 -0.418 0.000 2.571 253 N HA 0.117 4.857 4.740 0.001 0.000 0.189 253 N C 1.501 176.786 175.510 -0.375 0.000 1.154 253 N CA 0.260 53.047 53.050 -0.438 0.000 0.907 253 N CB -0.310 38.082 38.487 -0.159 0.000 0.977 253 N HN 0.406 nan 8.380 nan 0.000 0.449 254 L N -0.140 120.902 121.223 -0.301 0.000 2.217 254 L HA -0.043 4.298 4.340 0.001 0.000 0.211 254 L C -0.025 176.801 176.870 -0.072 0.000 1.107 254 L CA 0.484 55.234 54.840 -0.149 0.000 0.783 254 L CB -0.476 41.512 42.059 -0.118 0.000 0.919 254 L HN 0.303 nan 8.230 nan 0.000 0.442 255 H N 0.050 119.089 119.070 -0.051 0.000 2.672 255 H HA -0.137 4.419 4.556 0.001 0.000 0.325 255 H C 0.282 175.592 175.328 -0.030 0.000 1.158 255 H CA 0.770 56.796 56.048 -0.037 0.000 1.134 255 H CB -1.487 28.259 29.762 -0.027 0.000 1.553 255 H HN 0.269 nan 8.280 nan 0.000 0.419 256 S N 0.816 116.533 115.700 0.029 0.000 2.473 256 S HA 0.246 4.716 4.470 0.001 0.000 0.307 256 S C 1.336 175.943 174.600 0.011 0.000 1.094 256 S CA -0.375 57.835 58.200 0.016 0.000 1.070 256 S CB 0.911 64.104 63.200 -0.012 0.000 1.019 256 S HN 0.568 nan 8.310 nan 0.000 0.480 257 N N 4.381 123.093 118.700 0.021 0.000 2.512 257 N HA -0.006 4.735 4.740 0.001 0.000 0.183 257 N C 1.132 176.647 175.510 0.008 0.000 1.073 257 N CA 1.016 54.078 53.050 0.020 0.000 0.911 257 N CB -0.309 38.196 38.487 0.030 0.000 0.964 257 N HN 0.544 nan 8.380 nan 0.000 0.447 258 A N 0.178 122.997 122.820 -0.001 0.000 2.251 258 A HA 0.336 4.657 4.320 0.001 0.000 0.209 258 A C 0.646 178.210 177.584 -0.033 0.000 1.187 258 A CA -0.179 51.852 52.037 -0.010 0.000 0.823 258 A CB -0.152 18.845 19.000 -0.005 0.000 0.846 258 A HN 0.291 nan 8.150 nan 0.000 0.486 259 I N 0.377 120.923 120.570 -0.041 0.000 2.410 259 I HA 0.308 4.479 4.170 0.001 0.000 0.286 259 I C -1.052 175.028 176.117 -0.062 0.000 1.009 259 I CA -0.727 60.535 61.300 -0.063 0.000 1.111 259 I CB 2.027 39.984 38.000 -0.072 0.000 1.262 259 I HN 0.035 nan 8.210 nan 0.000 0.443 260 L N 9.976 131.152 121.223 -0.079 0.000 2.297 260 L HA 0.599 4.939 4.340 0.001 0.000 0.277 260 L C -2.524 174.331 176.870 -0.026 0.000 1.040 260 L CA -1.885 52.922 54.840 -0.054 0.000 0.867 260 L CB 0.537 42.524 42.059 -0.120 0.000 1.244 260 L HN 0.227 nan 8.230 nan 0.000 0.433 261 P HA 0.296 nan 4.420 nan 0.000 0.276 261 P C -0.951 176.526 177.300 0.296 0.000 1.230 261 P CA 0.246 63.398 63.100 0.087 0.000 0.776 261 P CB 0.688 32.319 31.700 -0.114 0.000 0.888 262 I N 2.567 123.286 120.570 0.250 0.000 2.468 262 I HA 0.381 4.551 4.170 0.001 0.000 0.285 262 I C 0.407 176.536 176.117 0.021 0.000 1.039 262 I CA -0.785 60.578 61.300 0.106 0.000 1.074 262 I CB 1.999 40.005 38.000 0.010 0.000 1.228 262 I HN 0.156 nan 8.210 nan 0.000 0.436 263 R N 6.983 127.321 120.500 -0.270 0.000 2.254 263 R HA 0.635 4.975 4.340 0.001 0.000 0.318 263 R C -1.380 174.765 176.300 -0.259 0.000 1.031 263 R CA -0.512 55.365 56.100 -0.372 0.000 0.905 263 R CB 0.904 30.652 30.300 -0.920 0.000 1.050 263 R HN 0.615 nan 8.270 nan 0.000 0.456 264 L N 5.618 126.767 121.223 -0.123 0.000 2.294 264 L HA 0.407 4.747 4.340 0.001 0.000 0.283 264 L C -0.663 176.175 176.870 -0.054 0.000 1.015 264 L CA -0.782 54.010 54.840 -0.080 0.000 0.831 264 L CB 1.360 43.408 42.059 -0.018 0.000 1.217 264 L HN 0.757 nan 8.230 nan 0.000 0.420 265 D N 1.929 122.312 120.400 -0.028 0.000 2.744 265 D HA 0.882 5.523 4.640 0.001 0.000 0.304 265 D C -0.270 176.037 176.300 0.012 0.000 1.179 265 D CA -0.681 53.339 54.000 0.033 0.000 1.024 265 D CB 2.228 43.098 40.800 0.117 0.000 1.453 265 D HN 0.556 nan 8.370 nan 0.000 0.529 266 G N -2.354 106.459 108.800 0.022 0.000 2.320 266 G HA2 0.512 4.472 3.960 0.001 0.000 0.296 266 G HA3 0.512 4.472 3.960 0.001 0.000 0.296 266 G C -0.244 174.497 174.900 -0.265 0.000 1.306 266 G CA -0.047 44.908 45.100 -0.241 0.000 0.836 266 G HN 0.736 nan 8.290 nan 0.000 0.517 267 A N -0.799 121.790 122.820 -0.384 0.000 2.119 267 A HA 0.252 4.573 4.320 0.001 0.000 0.216 267 A C 2.369 179.765 177.584 -0.313 0.000 1.152 267 A CA 2.476 54.295 52.037 -0.362 0.000 0.708 267 A CB -0.904 17.992 19.000 -0.173 0.000 0.805 267 A HN 0.972 nan 8.150 nan 0.000 0.460 268 T N 0.474 114.840 114.554 -0.314 0.000 2.565 268 T HA -0.254 4.096 4.350 0.001 0.000 0.265 268 T C 1.886 176.186 174.700 -0.666 0.000 1.082 268 T CA 2.363 64.240 62.100 -0.371 0.000 1.173 268 T CB -0.173 68.545 68.868 -0.249 0.000 0.864 268 T HN 0.605 nan 8.240 nan 0.000 0.425 269 K N -0.164 119.905 120.400 -0.553 0.000 2.329 269 K HA 0.189 4.509 4.320 0.001 0.000 0.198 269 K C 2.497 178.763 176.600 -0.557 0.000 1.085 269 K CA 0.134 56.045 56.287 -0.628 0.000 0.961 269 K CB 0.201 32.347 32.500 -0.590 0.000 0.971 269 K HN 0.290 nan 8.250 nan 0.000 0.502 270 E N 0.146 120.166 120.200 -0.301 0.000 2.130 270 E HA -0.154 4.196 4.350 0.001 0.000 0.196 270 E C 0.602 177.415 176.600 0.355 0.000 0.998 270 E CA 1.089 57.467 56.400 -0.037 0.000 0.806 270 E CB 0.051 29.733 29.700 -0.029 0.000 0.738 270 E HN 0.189 nan 8.360 nan 0.000 0.459 271 F N -0.786 119.155 119.950 -0.016 0.000 2.639 271 F HA 0.234 4.761 4.527 0.001 0.000 0.302 271 F C -0.218 175.597 175.800 0.026 0.000 1.097 271 F CA -0.961 57.137 58.000 0.164 0.000 1.294 271 F CB -0.529 38.599 39.000 0.213 0.000 1.027 271 F HN -0.130 nan 8.300 nan 0.000 0.550 272 F N 0.300 120.014 119.950 -0.393 0.000 2.969 272 F HA -0.218 4.309 4.527 0.001 0.000 0.273 272 F C 0.597 175.738 175.800 -1.098 0.000 0.986 272 F CA 0.470 57.913 58.000 -0.928 0.000 0.926 272 F CB -1.515 37.260 39.000 -0.376 0.000 0.887 272 F HN 0.073 nan 8.300 nan 0.000 0.816 273 A N -0.632 121.573 122.820 -1.025 0.000 3.234 273 A HA 0.332 4.652 4.320 0.001 0.000 0.247 273 A C 0.925 178.279 177.584 -0.384 0.000 0.938 273 A CA -0.671 50.928 52.037 -0.730 0.000 1.039 273 A CB -0.118 18.284 19.000 -0.997 0.000 1.197 273 A HN 0.533 nan 8.150 nan 0.000 0.498 274 W N 0.235 121.531 121.300 -0.005 0.000 2.338 274 W HA -0.140 4.520 4.660 0.000 0.000 0.304 274 W C 1.873 178.439 176.519 0.079 0.000 1.212 274 W CA 1.693 59.048 57.345 0.017 0.000 1.264 274 W CB -0.628 28.850 29.460 0.030 0.000 1.142 274 W HN 0.674 nan 8.180 nan 0.000 0.512 275 G N -1.154 107.890 108.800 0.407 0.000 2.920 275 G HA2 -0.100 3.860 3.960 0.001 0.000 0.208 275 G HA3 -0.100 3.860 3.960 0.001 0.000 0.208 275 G C 1.107 176.211 174.900 0.340 0.000 1.159 275 G CA -0.198 45.095 45.100 0.322 0.000 0.784 275 G HN 0.006 nan 8.290 nan 0.000 0.535 276 F N 1.002 120.984 119.950 0.052 0.000 2.186 276 F HA 0.103 4.630 4.527 0.000 0.000 0.299 276 F C 1.371 177.150 175.800 -0.034 0.000 1.090 276 F CA 0.437 58.443 58.000 0.009 0.000 1.307 276 F CB 0.153 39.152 39.000 -0.001 0.000 1.019 276 F HN 0.043 nan 8.300 nan 0.000 0.489 277 R N -0.483 120.102 120.500 0.141 0.000 3.332 277 R HA -0.134 4.206 4.340 0.001 0.000 0.263 277 R C -1.348 174.910 176.300 -0.070 0.000 1.053 277 R CA 0.138 56.245 56.100 0.013 0.000 0.705 277 R CB -3.002 27.297 30.300 -0.003 0.000 1.166 277 R HN 0.083 nan 8.270 nan 0.000 0.427 278 V N -0.277 119.571 119.914 -0.109 0.000 2.376 278 V HA 0.840 4.961 4.120 0.001 0.000 0.287 278 V C 1.022 176.808 176.094 -0.514 0.000 1.015 278 V CA 0.051 62.168 62.300 -0.305 0.000 0.834 278 V CB 2.014 33.719 31.823 -0.197 0.000 1.001 278 V HN 0.549 nan 8.190 nan 0.000 0.428 279 G N 3.215 111.579 108.800 -0.726 0.000 2.866 279 G HA2 0.859 4.820 3.960 0.001 0.000 0.289 279 G HA3 0.859 4.820 3.960 0.001 0.000 0.289 279 G C -1.815 172.382 174.900 -1.172 0.000 1.396 279 G CA -0.576 44.068 45.100 -0.760 0.000 0.848 279 G HN 0.347 nan 8.290 nan 0.000 0.515 280 F N -0.711 118.985 119.950 -0.423 0.000 2.601 280 F HA 0.649 5.176 4.527 0.001 0.000 0.309 280 F C -0.036 175.592 175.800 -0.287 0.000 1.089 280 F CA -0.750 57.018 58.000 -0.387 0.000 0.940 280 F CB 2.839 41.511 39.000 -0.548 0.000 1.273 280 F HN 0.417 nan 8.300 nan 0.000 0.450 281 M N 2.518 122.060 119.600 -0.097 0.000 2.190 281 M HA 0.620 5.101 4.480 0.001 0.000 0.312 281 M C -1.670 174.438 176.300 -0.320 0.000 0.990 281 M CA 0.053 55.208 55.300 -0.241 0.000 0.927 281 M CB 1.579 34.020 32.600 -0.266 0.000 1.571 281 M HN 0.692 nan 8.290 nan 0.000 0.427 282 T N 4.665 118.949 114.554 -0.449 0.000 2.861 282 T HA 0.602 4.952 4.350 0.001 0.000 0.287 282 T C -1.174 173.278 174.700 -0.413 0.000 1.003 282 T CA -0.289 61.573 62.100 -0.396 0.000 0.977 282 T CB 0.913 69.546 68.868 -0.391 0.000 0.996 282 T HN 0.424 nan 8.240 nan 0.000 0.448 283 F N 1.200 121.253 119.950 0.173 0.000 2.421 283 F HA 0.574 5.101 4.527 0.000 0.000 0.337 283 F C 1.154 177.190 175.800 0.394 0.000 1.105 283 F CA -0.867 57.297 58.000 0.274 0.000 1.049 283 F CB 1.169 40.280 39.000 0.185 0.000 1.139 283 F HN 0.679 nan 8.300 nan 0.000 0.479 284 G N 1.367 110.466 108.800 0.498 0.000 2.546 284 G HA2 0.463 4.423 3.960 0.001 0.000 0.320 284 G HA3 0.463 4.423 3.960 0.001 0.000 0.320 284 G C -0.636 174.316 174.900 0.087 0.000 0.984 284 G CA -0.166 44.987 45.100 0.090 0.000 1.183 284 G HN 0.679 nan 8.290 nan 0.000 0.443 285 T N -0.240 114.389 114.554 0.126 0.000 2.942 285 T HA 0.432 4.782 4.350 0.001 0.000 0.327 285 T C 0.914 175.678 174.700 0.106 0.000 1.360 285 T CA 0.152 62.313 62.100 0.102 0.000 1.055 285 T CB 1.403 70.336 68.868 0.108 0.000 1.261 285 T HN 0.615 nan 8.240 nan 0.000 0.485 286 S N 1.820 117.579 115.700 0.098 0.000 2.540 286 S HA 0.266 4.736 4.470 0.001 0.000 0.218 286 S C 0.079 174.719 174.600 0.066 0.000 0.977 286 S CA -0.203 58.051 58.200 0.090 0.000 0.918 286 S CB -0.096 63.163 63.200 0.097 0.000 0.806 286 S HN 0.695 nan 8.310 nan 0.000 0.496 287 D N 1.354 121.792 120.400 0.063 0.000 2.317 287 D HA 0.327 4.968 4.640 0.001 0.000 0.234 287 D C 1.036 177.365 176.300 0.048 0.000 1.112 287 D CA -0.335 53.694 54.000 0.048 0.000 0.840 287 D CB 1.496 42.322 40.800 0.043 0.000 1.078 287 D HN 0.008 nan 8.370 nan 0.000 0.486 288 Q N 2.024 121.849 119.800 0.042 0.000 2.096 288 Q HA -0.148 4.192 4.340 0.001 0.000 0.204 288 Q C 1.487 177.509 176.000 0.036 0.000 0.982 288 Q CA 2.007 57.835 55.803 0.041 0.000 0.850 288 Q CB -0.369 28.390 28.738 0.035 0.000 0.901 288 Q HN 0.619 nan 8.270 nan 0.000 0.422 289 T N -0.228 114.343 114.554 0.030 0.000 2.684 289 T HA -0.154 4.196 4.350 0.001 0.000 0.267 289 T C 1.716 176.430 174.700 0.023 0.000 1.036 289 T CA 1.814 63.929 62.100 0.026 0.000 1.148 289 T CB -0.651 68.230 68.868 0.021 0.000 0.863 289 T HN 0.423 nan 8.240 nan 0.000 0.436 290 T N 2.126 116.694 114.554 0.024 0.000 2.684 290 T HA -0.115 4.235 4.350 0.001 0.000 0.267 290 T C 2.019 176.707 174.700 -0.019 0.000 1.036 290 T CA 1.241 63.345 62.100 0.007 0.000 1.148 290 T CB -0.233 68.646 68.868 0.017 0.000 0.863 290 T HN 0.457 nan 8.240 nan 0.000 0.436 291 K N 0.915 121.328 120.400 0.021 0.000 2.032 291 K HA -0.152 4.168 4.320 0.001 0.000 0.209 291 K C 2.473 179.092 176.600 0.031 0.000 1.048 291 K CA 1.618 57.932 56.287 0.046 0.000 0.927 291 K CB -0.157 32.393 32.500 0.083 0.000 0.712 291 K HN 0.487 nan 8.250 nan 0.000 0.441 292 E N 0.313 120.531 120.200 0.029 0.000 2.072 292 E HA -0.135 4.216 4.350 0.001 0.000 0.191 292 E C 2.110 178.723 176.600 0.021 0.000 0.985 292 E CA 1.066 57.484 56.400 0.030 0.000 0.801 292 E CB 0.047 29.768 29.700 0.034 0.000 0.750 292 E HN 0.033 nan 8.360 nan 0.000 0.452 293 V N 1.585 121.507 119.914 0.013 0.000 2.307 293 V HA -0.229 3.891 4.120 0.001 0.000 0.245 293 V C 2.301 178.384 176.094 -0.018 0.000 1.045 293 V CA 1.369 63.679 62.300 0.018 0.000 1.024 293 V CB -0.402 31.439 31.823 0.031 0.000 0.651 293 V HN 0.263 nan 8.190 nan 0.000 0.449 294 L N -0.118 121.049 121.223 -0.093 0.000 2.083 294 L HA -0.212 4.128 4.340 0.001 0.000 0.209 294 L C 2.579 179.408 176.870 -0.069 0.000 1.083 294 L CA 2.016 56.731 54.840 -0.207 0.000 0.752 294 L CB -0.573 41.106 42.059 -0.632 0.000 0.899 294 L HN 0.447 nan 8.230 nan 0.000 0.433 295 E N 0.481 120.681 120.200 0.001 0.000 2.051 295 E HA -0.242 4.109 4.350 0.001 0.000 0.192 295 E C 2.240 178.829 176.600 -0.019 0.000 0.991 295 E CA 1.272 57.698 56.400 0.043 0.000 0.799 295 E CB -0.002 29.723 29.700 0.042 0.000 0.748 295 E HN 0.429 nan 8.360 nan 0.000 0.449 296 A N 1.234 124.051 122.820 -0.006 0.000 1.883 296 A HA -0.234 4.086 4.320 0.001 0.000 0.217 296 A C 2.063 179.672 177.584 0.041 0.000 1.186 296 A CA 1.892 53.942 52.037 0.022 0.000 0.624 296 A CB -0.437 18.623 19.000 0.101 0.000 0.822 296 A HN 0.174 nan 8.150 nan 0.000 0.444 297 K N -0.574 119.845 120.400 0.032 0.000 2.097 297 K HA -0.049 4.272 4.320 0.001 0.000 0.206 297 K C 1.864 178.459 176.600 -0.010 0.000 1.049 297 K CA 1.331 57.627 56.287 0.015 0.000 0.933 297 K CB -0.331 32.157 32.500 -0.019 0.000 0.717 297 K HN 0.307 nan 8.250 nan 0.000 0.442 298 V N 1.833 121.746 119.914 -0.001 0.000 2.358 298 V HA -0.247 3.874 4.120 0.001 0.000 0.246 298 V C 1.988 178.062 176.094 -0.032 0.000 1.047 298 V CA 1.680 63.984 62.300 0.008 0.000 1.035 298 V CB -0.356 31.518 31.823 0.086 0.000 0.658 298 V HN 0.283 nan 8.190 nan 0.000 0.452 299 K N 0.298 120.645 120.400 -0.087 0.000 2.063 299 K HA -0.139 4.182 4.320 0.001 0.000 0.208 299 K C 2.245 178.853 176.600 0.014 0.000 1.048 299 K CA 1.591 57.769 56.287 -0.181 0.000 0.928 299 K CB -0.698 31.427 32.500 -0.626 0.000 0.713 299 K HN 0.554 nan 8.250 nan 0.000 0.442 300 G N 1.188 110.046 108.800 0.097 0.000 2.418 300 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 300 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 300 G C 1.478 176.368 174.900 -0.017 0.000 1.158 300 G CA 0.550 45.685 45.100 0.059 0.000 0.771 300 G HN 0.091 nan 8.290 nan 0.000 0.545 301 L N -0.028 121.186 121.223 -0.016 0.000 2.046 301 L HA -0.031 4.310 4.340 0.001 0.000 0.208 301 L C 2.842 179.729 176.870 0.027 0.000 1.077 301 L CA 0.761 55.595 54.840 -0.009 0.000 0.747 301 L CB -0.297 41.752 42.059 -0.017 0.000 0.896 301 L HN 0.211 nan 8.230 nan 0.000 0.432 302 I N -0.687 119.903 120.570 0.034 0.000 2.202 302 I HA -0.257 3.914 4.170 0.001 0.000 0.242 302 I C 2.760 178.912 176.117 0.058 0.000 1.091 302 I CA 0.801 62.152 61.300 0.085 0.000 1.368 302 I CB -0.208 37.831 38.000 0.065 0.000 1.058 302 I HN 0.189 nan 8.210 nan 0.000 0.410 303 R N 1.617 122.147 120.500 0.049 0.000 2.105 303 R HA -0.158 4.182 4.340 0.001 0.000 0.239 303 R C 2.117 178.412 176.300 -0.009 0.000 1.135 303 R CA 2.121 58.242 56.100 0.034 0.000 0.967 303 R CB -0.636 29.718 30.300 0.091 0.000 0.861 303 R HN 0.445 nan 8.270 nan 0.000 0.442 304 S N -1.394 114.296 115.700 -0.017 0.000 2.631 304 S HA 0.081 4.551 4.470 0.001 0.000 0.217 304 S C 1.239 175.831 174.600 -0.012 0.000 0.958 304 S CA 0.313 58.495 58.200 -0.031 0.000 0.920 304 S CB -0.344 62.825 63.200 -0.053 0.000 0.776 304 S HN 0.594 nan 8.310 nan 0.000 0.517 305 N N 1.178 119.881 118.700 0.004 0.000 2.909 305 N HA 0.204 4.944 4.740 0.001 0.000 0.243 305 N C 1.391 176.887 175.510 -0.023 0.000 1.018 305 N CA 0.760 53.813 53.050 0.005 0.000 1.068 305 N CB 0.296 38.815 38.487 0.053 0.000 1.651 305 N HN 0.487 nan 8.380 nan 0.000 0.509 306 I N -2.826 117.728 120.570 -0.026 0.000 4.154 306 I HA 0.436 4.606 4.170 0.001 0.000 0.334 306 I C 1.018 177.123 176.117 -0.020 0.000 1.371 306 I CA -0.205 61.063 61.300 -0.054 0.000 1.110 306 I CB 1.009 38.926 38.000 -0.138 0.000 1.085 306 I HN 0.158 nan 8.210 nan 0.000 0.398 307 S N 1.397 117.091 115.700 -0.009 0.000 1.577 307 S HA -0.250 4.221 4.470 0.001 0.000 0.240 307 S C 0.579 175.176 174.600 -0.005 0.000 0.755 307 S CA 1.762 59.950 58.200 -0.020 0.000 1.398 307 S CB -1.558 61.614 63.200 -0.047 0.000 1.552 307 S HN 1.158 nan 8.310 nan 0.000 0.510 308 S N -0.310 115.397 115.700 0.012 0.000 2.611 308 S HA 0.702 5.173 4.470 0.001 0.000 0.268 308 S C -0.107 174.502 174.600 0.014 0.000 1.156 308 S CA -0.106 58.109 58.200 0.025 0.000 0.817 308 S CB 1.131 64.363 63.200 0.053 0.000 1.122 308 S HN 1.508 nan 8.310 nan 0.000 0.466 309 G N 0.229 109.026 108.800 -0.005 0.000 2.535 309 G HA2 0.706 4.666 3.960 0.001 0.000 0.303 309 G HA3 0.706 4.666 3.960 0.001 0.000 0.303 309 G C -2.861 172.015 174.900 -0.040 0.000 1.237 309 G CA -1.965 43.111 45.100 -0.039 0.000 0.986 309 G HN 0.635 nan 8.290 nan 0.000 0.494 310 P HA 0.069 nan 4.420 nan 0.000 0.270 310 P C 0.789 178.021 177.300 -0.113 0.000 1.242 310 P CA -0.469 62.576 63.100 -0.091 0.000 0.768 310 P CB 1.603 33.239 31.700 -0.107 0.000 0.820 311 L N 7.354 128.503 121.223 -0.124 0.000 2.017 311 L HA -0.037 4.303 4.340 0.001 0.000 0.208 311 L C -0.859 175.885 176.870 -0.210 0.000 1.073 311 L CA 2.398 57.151 54.840 -0.145 0.000 0.745 311 L CB -2.051 39.917 42.059 -0.153 0.000 0.894 311 L HN 0.263 nan 8.230 nan 0.000 0.432 312 P HA -0.140 nan 4.420 nan 0.000 0.216 312 P C 1.597 178.734 177.300 -0.272 0.000 1.150 312 P CA 2.319 65.188 63.100 -0.385 0.000 0.837 312 P CB -0.379 31.031 31.700 -0.483 0.000 0.786 313 T N -3.622 110.769 114.554 -0.271 0.000 2.896 313 T HA -0.091 4.260 4.350 0.001 0.000 0.263 313 T C 1.913 176.581 174.700 -0.053 0.000 1.050 313 T CA 0.735 62.651 62.100 -0.308 0.000 1.140 313 T CB -0.983 67.620 68.868 -0.443 0.000 0.877 313 T HN 0.140 nan 8.240 nan 0.000 0.457 314 Q N 1.088 120.849 119.800 -0.065 0.000 2.096 314 Q HA -0.079 4.262 4.340 0.001 0.000 0.204 314 Q C 2.750 178.771 176.000 0.036 0.000 0.982 314 Q CA 1.821 57.617 55.803 -0.012 0.000 0.850 314 Q CB -0.298 28.413 28.738 -0.046 0.000 0.901 314 Q HN 0.549 nan 8.270 nan 0.000 0.422 315 S N 0.585 116.276 115.700 -0.014 0.000 2.383 315 S HA -0.127 4.343 4.470 0.001 0.000 0.227 315 S C 2.036 176.688 174.600 0.087 0.000 1.026 315 S CA 0.891 59.109 58.200 0.031 0.000 0.981 315 S CB -0.234 62.927 63.200 -0.065 0.000 0.818 315 S HN 0.490 nan 8.310 nan 0.000 0.472 316 A N 1.268 124.104 122.820 0.026 0.000 1.877 316 A HA -0.063 4.257 4.320 0.001 0.000 0.216 316 A C 2.337 180.018 177.584 0.162 0.000 1.186 316 A CA 1.606 53.694 52.037 0.085 0.000 0.620 316 A CB -0.942 18.133 19.000 0.125 0.000 0.822 316 A HN 0.344 nan 8.150 nan 0.000 0.443 317 V N 0.390 120.440 119.914 0.227 0.000 2.343 317 V HA -0.275 3.845 4.120 0.001 0.000 0.247 317 V C 2.523 178.750 176.094 0.222 0.000 1.051 317 V CA 2.319 64.780 62.300 0.267 0.000 1.036 317 V CB -0.706 31.323 31.823 0.344 0.000 0.654 317 V HN 0.684 nan 8.190 nan 0.000 0.451 318 K N -0.666 119.853 120.400 0.198 0.000 2.059 318 K HA -0.273 4.047 4.320 0.001 0.000 0.212 318 K C 2.238 178.889 176.600 0.086 0.000 1.050 318 K CA 2.085 58.463 56.287 0.151 0.000 0.927 318 K CB -0.333 32.245 32.500 0.129 0.000 0.714 318 K HN 0.580 nan 8.250 nan 0.000 0.447 319 H N -0.364 118.704 119.070 -0.004 0.000 2.387 319 H HA -0.100 4.457 4.556 0.001 0.000 0.299 319 H C 2.108 177.376 175.328 -0.100 0.000 1.090 319 H CA 1.808 57.833 56.048 -0.039 0.000 1.332 319 H CB 0.183 29.922 29.762 -0.038 0.000 1.386 319 H HN 0.258 nan 8.280 nan 0.000 0.516 320 V N -1.163 118.686 119.914 -0.108 0.000 3.041 320 V HA -0.078 4.043 4.120 0.001 0.000 0.260 320 V C 2.327 178.258 176.094 -0.271 0.000 1.105 320 V CA 0.741 62.796 62.300 -0.408 0.000 1.125 320 V CB -0.709 30.353 31.823 -1.268 0.000 0.730 320 V HN 0.173 nan 8.190 nan 0.000 0.479 321 L N -0.223 120.950 121.223 -0.082 0.000 2.072 321 L HA -0.046 4.295 4.340 0.001 0.000 0.205 321 L C 2.777 179.653 176.870 0.010 0.000 1.079 321 L CA 1.814 56.680 54.840 0.044 0.000 0.752 321 L CB -0.420 41.735 42.059 0.160 0.000 0.906 321 L HN 0.264 nan 8.230 nan 0.000 0.436 322 K N 0.246 120.630 120.400 -0.026 0.000 2.005 322 K HA -0.027 4.294 4.320 0.001 0.000 0.206 322 K C 0.362 176.939 176.600 -0.039 0.000 1.044 322 K CA 0.912 57.169 56.287 -0.049 0.000 0.942 322 K CB -0.091 32.341 32.500 -0.115 0.000 0.727 322 K HN 0.209 nan 8.250 nan 0.000 0.439 323 N N 2.167 120.841 118.700 -0.043 0.000 2.868 323 N HA 0.022 4.762 4.740 0.001 0.000 0.252 323 N C -0.042 175.476 175.510 0.014 0.000 1.130 323 N CA -0.254 52.791 53.050 -0.008 0.000 1.026 323 N CB 0.319 38.814 38.487 0.013 0.000 1.335 323 N HN 0.273 nan 8.380 nan 0.000 0.516 324 N N 1.325 120.043 118.700 0.031 0.000 2.348 324 N HA -0.014 4.726 4.740 0.001 0.000 0.183 324 N C 0.905 176.473 175.510 0.097 0.000 1.094 324 N CA 0.148 53.246 53.050 0.080 0.000 0.885 324 N CB 0.345 38.873 38.487 0.069 0.000 1.065 324 N HN 0.176 nan 8.380 nan 0.000 0.472 325 K N 0.776 121.207 120.400 0.051 0.000 2.015 325 K HA -0.247 4.074 4.320 0.001 0.000 0.216 325 K C 2.057 178.672 176.600 0.026 0.000 1.052 325 K CA 2.181 58.485 56.287 0.029 0.000 0.937 325 K CB -0.130 32.380 32.500 0.017 0.000 0.719 325 K HN 0.129 nan 8.250 nan 0.000 0.446 326 Q N 0.582 120.407 119.800 0.042 0.000 2.046 326 Q HA -0.152 4.188 4.340 0.001 0.000 0.200 326 Q C 1.869 177.885 176.000 0.027 0.000 0.975 326 Q CA 1.475 57.295 55.803 0.028 0.000 0.836 326 Q CB -0.444 28.318 28.738 0.040 0.000 0.896 326 Q HN 0.297 nan 8.270 nan 0.000 0.428 327 F N 1.074 120.976 119.950 -0.079 0.000 2.095 327 F HA -0.234 4.293 4.527 0.000 0.000 0.298 327 F C 1.452 177.164 175.800 -0.148 0.000 1.104 327 F CA 2.179 60.104 58.000 -0.125 0.000 1.232 327 F CB -0.441 38.467 39.000 -0.154 0.000 0.987 327 F HN 0.153 nan 8.300 nan 0.000 0.475 328 D N 0.348 120.656 120.400 -0.153 0.000 2.123 328 D HA -0.210 4.430 4.640 0.001 0.000 0.196 328 D C 2.225 178.381 176.300 -0.240 0.000 0.992 328 D CA 1.410 55.271 54.000 -0.232 0.000 0.833 328 D CB -0.443 40.323 40.800 -0.057 0.000 0.954 328 D HN 0.347 nan 8.370 nan 0.000 0.455 329 K N 0.638 120.941 120.400 -0.162 0.000 2.057 329 K HA -0.143 4.177 4.320 0.001 0.000 0.207 329 K C 1.861 178.347 176.600 -0.190 0.000 1.049 329 K CA 1.106 57.311 56.287 -0.136 0.000 0.931 329 K CB 0.129 32.579 32.500 -0.084 0.000 0.714 329 K HN 0.118 nan 8.250 nan 0.000 0.440 330 E N 0.359 120.408 120.200 -0.252 0.000 2.072 330 E HA -0.164 4.187 4.350 0.001 0.000 0.191 330 E C 1.992 178.348 176.600 -0.407 0.000 0.985 330 E CA 0.903 57.129 56.400 -0.289 0.000 0.801 330 E CB 0.041 29.582 29.700 -0.265 0.000 0.750 330 E HN 0.257 nan 8.360 nan 0.000 0.452 331 I N 1.504 121.744 120.570 -0.550 0.000 2.202 331 I HA -0.218 3.952 4.170 0.001 0.000 0.242 331 I C 2.128 178.072 176.117 -0.288 0.000 1.091 331 I CA 1.429 62.414 61.300 -0.525 0.000 1.368 331 I CB -1.043 36.620 38.000 -0.561 0.000 1.058 331 I HN 0.147 nan 8.210 nan 0.000 0.410 332 E N 0.249 120.322 120.200 -0.212 0.000 2.097 332 E HA -0.314 4.036 4.350 0.001 0.000 0.196 332 E C 2.115 178.657 176.600 -0.097 0.000 1.000 332 E CA 1.530 57.865 56.400 -0.107 0.000 0.804 332 E CB -0.138 29.509 29.700 -0.088 0.000 0.740 332 E HN 0.341 nan 8.360 nan 0.000 0.454 333 Q N 1.189 120.906 119.800 -0.139 0.000 2.050 333 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 333 Q C 1.623 177.549 176.000 -0.125 0.000 0.980 333 Q CA 1.719 57.452 55.803 -0.115 0.000 0.840 333 Q CB -0.214 28.450 28.738 -0.124 0.000 0.898 333 Q HN 0.164 nan 8.270 nan 0.000 0.424 334 N N -0.078 118.480 118.700 -0.236 0.000 2.120 334 N HA -0.104 4.636 4.740 0.001 0.000 0.188 334 N C 1.771 177.270 175.510 -0.018 0.000 1.024 334 N CA 1.512 54.397 53.050 -0.275 0.000 0.852 334 N CB -0.270 37.694 38.487 -0.872 0.000 1.003 334 N HN 0.374 nan 8.380 nan 0.000 0.424 335 I N 0.603 121.209 120.570 0.060 0.000 2.315 335 I HA -0.248 3.922 4.170 0.001 0.000 0.248 335 I C 2.409 178.614 176.117 0.146 0.000 1.117 335 I CA 0.865 62.303 61.300 0.230 0.000 1.404 335 I CB -0.151 37.978 38.000 0.214 0.000 1.071 335 I HN 0.083 nan 8.210 nan 0.000 0.419 336 Q N 0.898 120.733 119.800 0.058 0.000 2.084 336 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 336 Q C 2.100 178.104 176.000 0.007 0.000 0.978 336 Q CA 2.315 58.135 55.803 0.028 0.000 0.844 336 Q CB -0.460 28.280 28.738 0.003 0.000 0.898 336 Q HN 0.361 nan 8.270 nan 0.000 0.426 337 T N 0.843 115.403 114.554 0.010 0.000 2.684 337 T HA -0.130 4.221 4.350 0.001 0.000 0.267 337 T C 1.652 176.369 174.700 0.027 0.000 1.036 337 T CA 1.481 63.589 62.100 0.014 0.000 1.148 337 T CB -0.277 68.599 68.868 0.014 0.000 0.863 337 T HN 0.248 nan 8.240 nan 0.000 0.436 338 L N 0.521 121.788 121.223 0.074 0.000 2.083 338 L HA -0.086 4.254 4.340 0.001 0.000 0.209 338 L C 2.692 179.420 176.870 -0.236 0.000 1.083 338 L CA 1.337 56.230 54.840 0.088 0.000 0.752 338 L CB -0.477 41.758 42.059 0.292 0.000 0.899 338 L HN 0.220 nan 8.230 nan 0.000 0.433 339 K N 0.505 120.703 120.400 -0.338 0.000 2.057 339 K HA -0.209 4.112 4.320 0.001 0.000 0.207 339 K C 1.952 178.422 176.600 -0.216 0.000 1.049 339 K CA 1.543 57.516 56.287 -0.524 0.000 0.931 339 K CB 0.045 32.460 32.500 -0.141 0.000 0.714 339 K HN 0.321 nan 8.250 nan 0.000 0.440 340 E N -0.079 120.056 120.200 -0.108 0.000 2.110 340 E HA -0.172 4.178 4.350 0.001 0.000 0.193 340 E C 2.156 178.704 176.600 -0.087 0.000 0.988 340 E CA 1.018 57.379 56.400 -0.064 0.000 0.804 340 E CB 0.066 29.747 29.700 -0.031 0.000 0.745 340 E HN 0.272 nan 8.360 nan 0.000 0.458 341 R N -0.101 120.349 120.500 -0.083 0.000 2.075 341 R HA -0.164 4.176 4.340 0.001 0.000 0.232 341 R C 2.352 178.485 176.300 -0.278 0.000 1.126 341 R CA 1.416 57.471 56.100 -0.076 0.000 0.963 341 R CB -0.445 29.899 30.300 0.072 0.000 0.858 341 R HN 0.276 nan 8.270 nan 0.000 0.435 342 Y N 2.174 122.098 120.300 -0.626 0.000 2.128 342 Y HA -0.232 4.319 4.550 0.000 0.000 0.284 342 Y C 1.744 177.464 175.900 -0.301 0.000 1.154 342 Y CA 1.693 59.327 58.100 -0.776 0.000 1.149 342 Y CB -0.145 37.865 38.460 -0.749 0.000 0.976 342 Y HN 0.035 nan 8.280 nan 0.000 0.505 343 E N -0.477 119.482 120.200 -0.401 0.000 2.110 343 E HA -0.167 4.184 4.350 0.001 0.000 0.193 343 E C 2.246 178.685 176.600 -0.268 0.000 0.988 343 E CA 1.525 57.701 56.400 -0.373 0.000 0.804 343 E CB -0.207 29.423 29.700 -0.117 0.000 0.745 343 E HN 0.380 nan 8.360 nan 0.000 0.458 344 V N 1.022 120.829 119.914 -0.179 0.000 2.358 344 V HA -0.238 3.882 4.120 0.001 0.000 0.246 344 V C 2.252 178.284 176.094 -0.104 0.000 1.047 344 V CA 2.074 64.317 62.300 -0.094 0.000 1.035 344 V CB -0.636 31.168 31.823 -0.032 0.000 0.658 344 V HN 0.341 nan 8.190 nan 0.000 0.452 345 T N -0.295 114.165 114.554 -0.157 0.000 2.684 345 T HA -0.283 4.067 4.350 0.001 0.000 0.267 345 T C 1.946 176.578 174.700 -0.113 0.000 1.036 345 T CA 2.047 64.056 62.100 -0.152 0.000 1.148 345 T CB -0.210 68.579 68.868 -0.132 0.000 0.863 345 T HN 0.430 nan 8.240 nan 0.000 0.436 346 K N 1.079 121.415 120.400 -0.107 0.000 2.009 346 K HA -0.146 4.175 4.320 0.001 0.000 0.210 346 K C 2.296 178.953 176.600 0.095 0.000 1.049 346 K CA 1.586 57.879 56.287 0.011 0.000 0.929 346 K CB -0.092 32.164 32.500 -0.406 0.000 0.714 346 K HN 0.382 nan 8.250 nan 0.000 0.440 347 E N -0.310 119.878 120.200 -0.020 0.000 2.130 347 E HA -0.194 4.156 4.350 0.001 0.000 0.196 347 E C 1.926 178.573 176.600 0.078 0.000 0.998 347 E CA 1.567 57.986 56.400 0.030 0.000 0.806 347 E CB 0.077 29.774 29.700 -0.006 0.000 0.738 347 E HN 0.158 nan 8.360 nan 0.000 0.459 348 V N 0.251 120.182 119.914 0.029 0.000 2.426 348 V HA -0.147 3.974 4.120 0.001 0.000 0.242 348 V C 2.251 178.400 176.094 0.092 0.000 1.036 348 V CA 0.837 63.182 62.300 0.074 0.000 1.044 348 V CB -0.043 31.782 31.823 0.004 0.000 0.688 348 V HN 0.098 nan 8.190 nan 0.000 0.462 349 V N -0.777 119.026 119.914 -0.185 0.000 2.469 349 V HA -0.255 3.866 4.120 0.001 0.000 0.251 349 V C 1.942 178.086 176.094 0.084 0.000 1.064 349 V CA 1.990 64.157 62.300 -0.221 0.000 1.066 349 V CB -0.701 30.782 31.823 -0.566 0.000 0.667 349 V HN 0.634 nan 8.190 nan 0.000 0.461 350 Y N -0.171 120.273 120.300 0.240 0.000 2.468 350 Y HA 0.582 5.132 4.550 0.001 0.000 0.268 350 Y C 1.280 177.276 175.900 0.160 0.000 1.177 350 Y CA -0.293 57.938 58.100 0.220 0.000 1.265 350 Y CB -0.518 38.032 38.460 0.151 0.000 1.103 350 Y HN 0.152 nan 8.280 nan 0.000 0.522 351 A N 0.314 123.296 122.820 0.270 0.000 2.498 351 A HA -0.036 4.284 4.320 0.001 0.000 0.239 351 A C 1.259 178.861 177.584 0.031 0.000 1.068 351 A CA 0.212 52.317 52.037 0.113 0.000 0.766 351 A CB 0.017 19.040 19.000 0.038 0.000 1.003 351 A HN 0.495 nan 8.150 nan 0.000 0.497 352 D N 0.752 121.140 120.400 -0.020 0.000 2.149 352 D HA -0.249 4.392 4.640 0.001 0.000 0.198 352 D C 2.043 178.287 176.300 -0.093 0.000 0.990 352 D CA 2.045 56.023 54.000 -0.036 0.000 0.839 352 D CB 0.003 40.771 40.800 -0.054 0.000 0.948 352 D HN 0.784 nan 8.370 nan 0.000 0.460 353 Q N -1.075 118.575 119.800 -0.249 0.000 2.368 353 Q HA -0.209 4.131 4.340 0.001 0.000 0.210 353 Q C 0.563 176.360 176.000 -0.338 0.000 0.982 353 Q CA 1.092 56.682 55.803 -0.355 0.000 0.884 353 Q CB -0.369 28.031 28.738 -0.563 0.000 0.933 353 Q HN 0.463 nan 8.270 nan 0.000 0.460 354 Y N -1.003 119.237 120.300 -0.099 0.000 2.636 354 Y HA 0.191 4.742 4.550 0.001 0.000 0.260 354 Y C 1.399 177.085 175.900 -0.356 0.000 1.177 354 Y CA -0.639 57.257 58.100 -0.340 0.000 1.209 354 Y CB -0.191 37.729 38.460 -0.899 0.000 1.166 354 Y HN 0.273 nan 8.280 nan 0.000 0.531 355 H N 0.545 119.557 119.070 -0.096 0.000 2.421 355 H HA -0.130 4.426 4.556 0.001 0.000 0.298 355 H C 2.195 177.482 175.328 -0.070 0.000 1.087 355 H CA 1.835 57.841 56.048 -0.069 0.000 1.330 355 H CB 0.252 29.995 29.762 -0.033 0.000 1.388 355 H HN 0.215 nan 8.280 nan 0.000 0.526 356 S N -1.595 113.981 115.700 -0.206 0.000 2.496 356 S HA -0.070 4.401 4.470 0.001 0.000 0.224 356 S C 1.474 175.928 174.600 -0.243 0.000 0.996 356 S CA 0.664 58.669 58.200 -0.325 0.000 0.927 356 S CB -0.237 62.751 63.200 -0.353 0.000 0.774 356 S HN 0.596 nan 8.310 nan 0.000 0.524 357 H N 0.125 119.106 119.070 -0.147 0.000 2.399 357 H HA 0.333 4.889 4.556 0.000 0.000 0.300 357 H C 0.259 175.608 175.328 0.035 0.000 1.048 357 H CA 1.170 57.150 56.048 -0.115 0.000 1.370 357 H CB 0.186 29.706 29.762 -0.403 0.000 1.428 357 H HN 0.752 nan 8.280 nan 0.000 0.534 358 W N -1.074 120.283 121.300 0.095 0.000 2.959 358 W HA 0.504 5.165 4.660 0.000 0.000 0.358 358 W C -1.740 174.601 176.519 -0.296 0.000 1.228 358 W CA -1.337 55.816 57.345 -0.321 0.000 1.183 358 W CB 0.957 30.310 29.460 -0.179 0.000 1.467 358 W HN -0.270 nan 8.180 nan 0.000 0.578 359 Q N 1.844 121.606 119.800 -0.063 0.000 2.309 359 Q HA 0.646 4.987 4.340 0.001 0.000 0.270 359 Q C -0.551 175.361 176.000 -0.148 0.000 1.023 359 Q CA -0.667 55.121 55.803 -0.025 0.000 0.758 359 Q CB 1.818 30.486 28.738 -0.116 0.000 1.247 359 Q HN 0.802 nan 8.270 nan 0.000 0.455 360 A N 3.505 126.299 122.820 -0.044 0.000 2.425 360 A HA 0.295 4.616 4.320 0.001 0.000 0.249 360 A C -1.146 176.330 177.584 -0.180 0.000 1.084 360 A CA 0.020 51.970 52.037 -0.145 0.000 0.781 360 A CB 0.144 19.028 19.000 -0.193 0.000 1.019 360 A HN 0.721 nan 8.150 nan 0.000 0.490 361 Y N 1.158 121.387 120.300 -0.118 0.000 2.304 361 Y HA 0.174 4.725 4.550 0.001 0.000 0.328 361 Y C 0.574 176.555 175.900 0.135 0.000 1.123 361 Y CA -0.179 57.743 58.100 -0.297 0.000 1.218 361 Y CB 0.582 38.473 38.460 -0.949 0.000 1.207 361 Y HN 0.645 nan 8.280 nan 0.000 0.495 362 D N 3.468 124.155 120.400 0.477 0.000 2.571 362 D HA 0.028 4.668 4.640 0.001 0.000 0.231 362 D C -0.618 176.217 176.300 0.891 0.000 1.133 362 D CA 1.116 55.537 54.000 0.701 0.000 0.862 362 D CB -0.077 41.098 40.800 0.624 0.000 1.179 362 D HN 0.436 nan 8.370 nan 0.000 0.474 363 F N -0.416 119.916 119.950 0.637 0.000 2.619 363 F HA 0.489 5.016 4.527 0.001 0.000 0.308 363 F C -0.178 175.968 175.800 0.578 0.000 1.097 363 F CA -1.098 57.266 58.000 0.607 0.000 0.953 363 F CB 1.350 40.670 39.000 0.533 0.000 1.287 363 F HN 0.162 nan 8.300 nan 0.000 0.446 364 N N -0.131 118.783 118.700 0.357 0.000 2.002 364 N HA 0.264 5.004 4.740 0.001 0.000 0.222 364 N C -1.290 174.070 175.510 -0.250 0.000 1.396 364 N CA 0.287 53.305 53.050 -0.054 0.000 0.725 364 N CB 0.258 38.706 38.487 -0.064 0.000 1.183 364 N HN 0.910 nan 8.380 nan 0.000 0.540 365 S N -2.450 113.241 115.700 -0.015 0.000 2.636 365 S HA 0.801 5.271 4.470 0.001 0.000 0.266 365 S C 0.401 175.025 174.600 0.040 0.000 1.147 365 S CA -0.268 57.736 58.200 -0.327 0.000 0.815 365 S CB 1.422 64.518 63.200 -0.172 0.000 1.119 365 S HN 1.171 nan 8.310 nan 0.000 0.470 366 G N 0.792 109.499 108.800 -0.155 0.000 2.547 366 G HA2 -0.226 3.735 3.960 0.001 0.000 0.271 366 G HA3 -0.226 3.735 3.960 0.001 0.000 0.271 366 G C -0.080 174.896 174.900 0.128 0.000 1.209 366 G CA 0.750 45.799 45.100 -0.086 0.000 0.959 366 G HN 1.153 nan 8.290 nan 0.000 0.563 367 Y N -0.187 119.702 120.300 -0.685 0.000 2.462 367 Y HA 0.530 5.080 4.550 0.001 0.000 0.253 367 Y C 1.013 175.916 175.900 -1.662 0.000 1.095 367 Y CA -0.331 57.055 58.100 -1.190 0.000 1.283 367 Y CB 0.249 37.752 38.460 -1.597 0.000 1.138 367 Y HN 0.314 nan 8.280 nan 0.000 0.522 368 F N 0.213 119.863 119.950 -0.500 0.000 2.593 368 F HA 0.596 5.123 4.527 0.001 0.000 0.320 368 F C -0.139 175.657 175.800 -0.006 0.000 1.060 368 F CA -1.578 56.232 58.000 -0.317 0.000 0.940 368 F CB 1.604 40.491 39.000 -0.188 0.000 1.268 368 F HN -0.247 nan 8.300 nan 0.000 0.475 369 M N 1.194 120.906 119.600 0.186 0.000 2.667 369 M HA 0.991 5.471 4.480 0.001 0.000 0.286 369 M C -1.581 174.675 176.300 -0.073 0.000 1.270 369 M CA -0.929 54.363 55.300 -0.014 0.000 0.826 369 M CB 1.968 34.184 32.600 -0.639 0.000 1.743 369 M HN 0.602 nan 8.290 nan 0.000 0.460 370 A N 1.543 124.302 122.820 -0.101 0.000 2.401 370 A HA 0.964 5.284 4.320 0.001 0.000 0.310 370 A C -0.922 176.665 177.584 0.005 0.000 1.075 370 A CA -0.877 51.123 52.037 -0.061 0.000 0.746 370 A CB 1.113 20.046 19.000 -0.113 0.000 1.277 370 A HN 1.310 nan 8.150 nan 0.000 0.425 371 I N -1.456 119.091 120.570 -0.037 0.000 2.689 371 I HA 0.614 4.785 4.170 0.001 0.000 0.299 371 I C -0.393 175.727 176.117 0.006 0.000 1.059 371 I CA -0.880 60.347 61.300 -0.123 0.000 1.055 371 I CB 2.118 39.876 38.000 -0.404 0.000 1.243 371 I HN 0.598 nan 8.210 nan 0.000 0.425 372 K N 5.566 125.891 120.400 -0.125 0.000 2.285 372 K HA 0.441 4.762 4.320 0.001 0.000 0.286 372 K C -0.524 175.975 176.600 -0.168 0.000 1.072 372 K CA -0.618 55.619 56.287 -0.082 0.000 0.913 372 K CB 1.122 33.496 32.500 -0.210 0.000 1.067 372 K HN 0.678 nan 8.250 nan 0.000 0.479 373 V N 2.376 122.250 119.914 -0.067 0.000 2.546 373 V HA 0.278 4.399 4.120 0.001 0.000 0.284 373 V C -0.209 175.849 176.094 -0.061 0.000 1.050 373 V CA -0.609 61.671 62.300 -0.033 0.000 0.981 373 V CB 0.924 32.777 31.823 0.049 0.000 0.990 373 V HN 0.665 nan 8.190 nan 0.000 0.474 374 H N 4.143 123.268 119.070 0.091 0.000 2.580 374 H HA 0.337 4.893 4.556 0.000 0.000 0.322 374 H C 0.387 175.726 175.328 0.019 0.000 1.082 374 H CA 0.682 56.744 56.048 0.023 0.000 1.383 374 H CB 1.249 30.989 29.762 -0.037 0.000 1.450 374 H HN 1.015 nan 8.280 nan 0.000 0.505 375 D N 0.091 120.578 120.400 0.144 0.000 2.946 375 D HA -0.173 4.467 4.640 0.001 0.000 0.202 375 D C 0.244 176.577 176.300 0.056 0.000 1.068 375 D CA 1.148 55.192 54.000 0.073 0.000 1.011 375 D CB -1.474 39.353 40.800 0.044 0.000 1.105 375 D HN 0.382 nan 8.370 nan 0.000 0.425 376 V N -2.274 117.677 119.914 0.063 0.000 2.925 376 V HA 0.670 4.790 4.120 0.001 0.000 0.311 376 V C -0.581 175.536 176.094 0.039 0.000 1.104 376 V CA -1.037 61.291 62.300 0.046 0.000 0.954 376 V CB 2.688 34.543 31.823 0.054 0.000 1.022 376 V HN -0.108 nan 8.190 nan 0.000 0.427 377 D N 3.989 124.405 120.400 0.027 0.000 2.383 377 D HA 0.413 5.053 4.640 0.001 0.000 0.252 377 D C -1.641 174.672 176.300 0.022 0.000 1.166 377 D CA -1.556 52.457 54.000 0.022 0.000 0.879 377 D CB 1.935 42.744 40.800 0.015 0.000 1.164 377 D HN 0.402 nan 8.370 nan 0.000 0.462 378 P HA -0.168 nan 4.420 nan 0.000 0.216 378 P C 0.937 178.240 177.300 0.006 0.000 1.150 378 P CA 0.985 64.090 63.100 0.009 0.000 0.843 378 P CB 0.281 31.982 31.700 0.003 0.000 0.787 379 E N 0.051 120.255 120.200 0.006 0.000 2.047 379 E HA -0.134 4.216 4.350 0.001 0.000 0.191 379 E C 1.972 178.583 176.600 0.020 0.000 0.987 379 E CA 1.596 58.000 56.400 0.006 0.000 0.799 379 E CB -1.211 28.491 29.700 0.003 0.000 0.752 379 E HN 0.036 nan 8.360 nan 0.000 0.449 380 A N 0.712 123.545 122.820 0.023 0.000 1.908 380 A HA -0.164 4.156 4.320 0.001 0.000 0.218 380 A C 2.238 179.861 177.584 0.066 0.000 1.181 380 A CA 1.700 53.757 52.037 0.033 0.000 0.627 380 A CB -0.933 18.075 19.000 0.014 0.000 0.818 380 A HN 0.396 nan 8.150 nan 0.000 0.445 381 L N -0.088 121.169 121.223 0.056 0.000 1.994 381 L HA -0.151 4.189 4.340 0.001 0.000 0.208 381 L C 2.466 179.378 176.870 0.071 0.000 1.071 381 L CA 2.546 57.434 54.840 0.079 0.000 0.745 381 L CB -0.723 41.361 42.059 0.043 0.000 0.892 381 L HN 0.483 nan 8.230 nan 0.000 0.431 382 R N -0.398 120.119 120.500 0.028 0.000 2.083 382 R HA -0.226 4.114 4.340 0.001 0.000 0.237 382 R C 2.372 178.690 176.300 0.030 0.000 1.137 382 R CA 2.104 58.207 56.100 0.006 0.000 0.951 382 R CB -0.174 30.119 30.300 -0.012 0.000 0.851 382 R HN 0.379 nan 8.270 nan 0.000 0.434 383 K N -1.242 119.190 120.400 0.053 0.000 2.057 383 K HA -0.198 4.122 4.320 0.001 0.000 0.206 383 K C 2.142 178.807 176.600 0.108 0.000 1.050 383 K CA 1.682 58.007 56.287 0.063 0.000 0.935 383 K CB -0.290 32.245 32.500 0.059 0.000 0.715 383 K HN 0.288 nan 8.250 nan 0.000 0.439 384 H N 0.755 119.851 119.070 0.043 0.000 2.389 384 H HA 0.004 4.561 4.556 0.001 0.000 0.299 384 H C 1.726 177.142 175.328 0.146 0.000 1.081 384 H CA 1.322 57.420 56.048 0.083 0.000 1.345 384 H CB -0.082 29.736 29.762 0.093 0.000 1.393 384 H HN 0.041 nan 8.280 nan 0.000 0.520 385 L N -0.398 120.865 121.223 0.067 0.000 2.083 385 L HA -0.160 4.180 4.340 0.001 0.000 0.209 385 L C 2.339 179.226 176.870 0.029 0.000 1.083 385 L CA 1.192 56.052 54.840 0.033 0.000 0.752 385 L CB -0.285 41.749 42.059 -0.042 0.000 0.899 385 L HN 0.348 nan 8.230 nan 0.000 0.433 386 I N -0.397 120.178 120.570 0.007 0.000 2.202 386 I HA -0.298 3.873 4.170 0.001 0.000 0.242 386 I C 2.238 178.344 176.117 -0.018 0.000 1.091 386 I CA 1.521 62.819 61.300 -0.004 0.000 1.368 386 I CB -0.315 37.683 38.000 -0.003 0.000 1.058 386 I HN 0.286 nan 8.210 nan 0.000 0.410 387 D N 0.931 121.316 120.400 -0.025 0.000 2.097 387 D HA -0.238 4.402 4.640 0.001 0.000 0.195 387 D C 2.059 178.294 176.300 -0.109 0.000 0.989 387 D CA 1.599 55.574 54.000 -0.042 0.000 0.827 387 D CB 0.131 40.933 40.800 0.002 0.000 0.966 387 D HN -0.046 nan 8.370 nan 0.000 0.456 388 K N -1.521 118.747 120.400 -0.220 0.000 2.276 388 K HA 0.085 4.405 4.320 0.001 0.000 0.198 388 K C 1.059 177.370 176.600 -0.482 0.000 1.052 388 K CA 0.797 56.842 56.287 -0.402 0.000 0.984 388 K CB -0.195 31.904 32.500 -0.668 0.000 0.836 388 K HN 0.226 nan 8.250 nan 0.000 0.490 389 Y N -0.257 119.944 120.300 -0.166 0.000 2.481 389 Y HA 0.316 4.866 4.550 0.000 0.000 0.247 389 Y C 0.409 176.276 175.900 -0.056 0.000 1.151 389 Y CA 0.146 58.182 58.100 -0.105 0.000 1.238 389 Y CB 0.698 39.072 38.460 -0.143 0.000 1.179 389 Y HN -0.082 nan 8.280 nan 0.000 0.524 390 S N 1.257 116.986 115.700 0.048 0.000 3.631 390 S HA -0.150 4.320 4.470 0.001 0.000 0.366 390 S C -0.488 174.134 174.600 0.037 0.000 0.993 390 S CA 0.158 58.376 58.200 0.030 0.000 1.167 390 S CB -1.395 61.820 63.200 0.025 0.000 0.909 390 S HN 0.231 nan 8.310 nan 0.000 0.478 391 I N 1.397 121.979 120.570 0.020 0.000 2.406 391 I HA 0.513 4.684 4.170 0.001 0.000 0.290 391 I C 0.877 176.961 176.117 -0.055 0.000 0.999 391 I CA -0.372 60.908 61.300 -0.034 0.000 1.124 391 I CB 1.281 39.225 38.000 -0.092 0.000 1.289 391 I HN 0.331 nan 8.210 nan 0.000 0.441 392 G N 6.003 114.764 108.800 -0.065 0.000 2.384 392 G HA2 0.608 4.569 3.960 0.001 0.000 0.316 392 G HA3 0.608 4.569 3.960 0.001 0.000 0.316 392 G C -0.417 174.428 174.900 -0.092 0.000 1.160 392 G CA -0.331 44.731 45.100 -0.064 0.000 0.936 392 G HN 0.513 nan 8.290 nan 0.000 0.455 393 V N 0.709 120.566 119.914 -0.094 0.000 3.158 393 V HA 0.704 4.824 4.120 0.001 0.000 0.311 393 V C -0.809 175.235 176.094 -0.084 0.000 1.181 393 V CA -1.466 60.767 62.300 -0.111 0.000 1.054 393 V CB 2.077 33.807 31.823 -0.155 0.000 1.085 393 V HN 0.455 nan 8.190 nan 0.000 0.446 394 I N 1.879 122.394 120.570 -0.091 0.000 2.377 394 I HA 0.693 4.863 4.170 0.001 0.000 0.293 394 I C 0.521 176.592 176.117 -0.076 0.000 0.987 394 I CA -0.521 60.731 61.300 -0.081 0.000 1.185 394 I CB 1.312 39.252 38.000 -0.101 0.000 1.341 394 I HN 1.031 nan 8.210 nan 0.000 0.455 395 A N 7.132 129.919 122.820 -0.056 0.000 2.279 395 A HA 0.525 4.845 4.320 0.001 0.000 0.306 395 A C 0.835 178.393 177.584 -0.044 0.000 1.300 395 A CA -0.346 51.665 52.037 -0.043 0.000 0.925 395 A CB 0.336 19.320 19.000 -0.028 0.000 1.152 395 A HN 0.809 nan 8.150 nan 0.000 0.544 396 L N 1.693 122.891 121.223 -0.043 0.000 2.162 396 L HA 0.092 4.433 4.340 0.001 0.000 0.205 396 L C 1.074 177.918 176.870 -0.043 0.000 1.086 396 L CA 1.102 55.914 54.840 -0.046 0.000 0.778 396 L CB -0.338 41.698 42.059 -0.038 0.000 0.928 396 L HN 0.975 nan 8.230 nan 0.000 0.446 397 N N -2.868 115.813 118.700 -0.031 0.000 3.547 397 N HA 0.179 4.919 4.740 0.001 0.000 0.347 397 N C 0.202 175.706 175.510 -0.009 0.000 1.533 397 N CA -0.022 53.010 53.050 -0.031 0.000 0.848 397 N CB 0.309 38.761 38.487 -0.058 0.000 2.112 397 N HN -0.215 nan 8.380 nan 0.000 0.527 398 A N -1.265 121.554 122.820 -0.003 0.000 2.119 398 A HA 0.083 4.404 4.320 0.001 0.000 0.217 398 A C 1.398 178.999 177.584 0.027 0.000 1.153 398 A CA 2.385 54.429 52.037 0.011 0.000 0.692 398 A CB -1.118 17.890 19.000 0.013 0.000 0.799 398 A HN 0.912 nan 8.150 nan 0.000 0.458 399 T N -4.847 109.732 114.554 0.042 0.000 2.993 399 T HA 0.212 4.562 4.350 0.001 0.000 0.260 399 T C -0.400 174.344 174.700 0.074 0.000 0.939 399 T CA -0.025 62.113 62.100 0.063 0.000 0.886 399 T CB 0.226 69.148 68.868 0.091 0.000 1.209 399 T HN 0.128 nan 8.240 nan 0.000 0.518 400 D N 2.041 122.487 120.400 0.077 0.000 2.350 400 D HA 0.608 5.249 4.640 0.001 0.000 0.245 400 D C -0.233 176.079 176.300 0.020 0.000 1.036 400 D CA -0.631 53.428 54.000 0.098 0.000 0.848 400 D CB 2.326 43.219 40.800 0.156 0.000 1.307 400 D HN 0.628 nan 8.370 nan 0.000 0.469 401 I N -2.288 118.274 120.570 -0.014 0.000 2.693 401 I HA 0.610 4.780 4.170 0.001 0.000 0.303 401 I C -0.427 175.636 176.117 -0.090 0.000 1.025 401 I CA -1.061 60.200 61.300 -0.066 0.000 1.086 401 I CB 2.500 40.440 38.000 -0.099 0.000 1.268 401 I HN -0.005 nan 8.210 nan 0.000 0.440 402 R N 4.277 124.710 120.500 -0.110 0.000 2.445 402 R HA 0.707 5.048 4.340 0.001 0.000 0.308 402 R C -1.714 174.519 176.300 -0.112 0.000 0.961 402 R CA -0.698 55.330 56.100 -0.121 0.000 0.862 402 R CB 1.513 31.701 30.300 -0.186 0.000 1.144 402 R HN 0.727 nan 8.270 nan 0.000 0.447 403 I N 3.173 123.699 120.570 -0.073 0.000 2.389 403 I HA 0.321 4.491 4.170 0.001 0.000 0.288 403 I C -0.190 175.966 176.117 0.064 0.000 0.999 403 I CA -0.280 60.979 61.300 -0.068 0.000 1.129 403 I CB 2.089 39.999 38.000 -0.150 0.000 1.288 403 I HN 0.630 nan 8.210 nan 0.000 0.444 404 A N 6.049 128.909 122.820 0.067 0.000 2.391 404 A HA 0.418 4.738 4.320 0.001 0.000 0.316 404 A C 0.654 178.180 177.584 -0.096 0.000 1.381 404 A CA -0.440 51.607 52.037 0.016 0.000 0.998 404 A CB -0.579 18.492 19.000 0.119 0.000 1.147 404 A HN 0.747 nan 8.150 nan 0.000 0.545 405 F N 2.161 122.127 119.950 0.027 0.000 2.604 405 F HA -0.040 4.487 4.527 0.001 0.000 0.298 405 F C 1.953 177.720 175.800 -0.056 0.000 1.131 405 F CA 0.725 58.735 58.000 0.017 0.000 1.457 405 F CB -1.003 38.052 39.000 0.092 0.000 1.095 405 F HN 0.479 nan 8.300 nan 0.000 0.574 406 S N 0.597 116.048 115.700 -0.415 0.000 2.419 406 S HA -0.256 4.214 4.470 0.001 0.000 0.235 406 S C 1.536 175.975 174.600 -0.268 0.000 1.019 406 S CA 0.862 58.785 58.200 -0.463 0.000 0.982 406 S CB -1.613 60.914 63.200 -1.122 0.000 0.789 406 S HN 0.686 nan 8.310 nan 0.000 0.490 407 C N 0.125 119.315 119.300 -0.182 0.000 2.863 407 C HA 0.792 5.252 4.460 0.001 0.000 0.284 407 C C -0.129 174.833 174.990 -0.046 0.000 1.426 407 C CA -1.014 57.934 59.018 -0.116 0.000 1.782 407 C CB -1.103 26.558 27.740 -0.132 0.000 2.554 407 C HN 0.255 nan 8.230 nan 0.000 0.566 408 V N 1.898 121.814 119.914 0.002 0.000 2.531 408 V HA 0.357 4.477 4.120 0.001 0.000 0.301 408 V C -0.146 175.980 176.094 0.053 0.000 1.034 408 V CA -0.190 62.128 62.300 0.029 0.000 0.865 408 V CB 1.610 33.461 31.823 0.047 0.000 0.995 408 V HN 0.412 nan 8.190 nan 0.000 0.424 409 E N 3.013 123.234 120.200 0.035 0.000 2.392 409 E HA 0.042 4.392 4.350 0.001 0.000 0.264 409 E C 0.810 177.440 176.600 0.050 0.000 1.024 409 E CA -0.183 56.238 56.400 0.036 0.000 0.903 409 E CB 1.237 30.949 29.700 0.020 0.000 0.963 409 E HN 0.583 nan 8.360 nan 0.000 0.432 410 K N 2.567 122.994 120.400 0.045 0.000 2.052 410 K HA -0.296 4.024 4.320 0.001 0.000 0.215 410 K C 1.244 177.874 176.600 0.050 0.000 1.053 410 K CA 2.261 58.574 56.287 0.042 0.000 0.934 410 K CB -0.012 32.501 32.500 0.022 0.000 0.717 410 K HN 0.386 nan 8.250 nan 0.000 0.450 411 D N 0.119 120.543 120.400 0.040 0.000 2.348 411 D HA -0.075 4.565 4.640 0.001 0.000 0.216 411 D C 0.778 177.113 176.300 0.058 0.000 0.970 411 D CA 0.766 54.791 54.000 0.042 0.000 0.889 411 D CB 0.108 40.923 40.800 0.025 0.000 0.912 411 D HN 0.244 nan 8.370 nan 0.000 0.524 412 D N -0.799 119.639 120.400 0.063 0.000 2.354 412 D HA 0.074 4.715 4.640 0.001 0.000 0.209 412 D C 2.026 178.404 176.300 0.130 0.000 1.015 412 D CA -0.001 54.050 54.000 0.085 0.000 0.867 412 D CB 0.282 41.115 40.800 0.056 0.000 0.933 412 D HN 0.330 nan 8.370 nan 0.000 0.520 413 I N 1.510 122.159 120.570 0.131 0.000 2.179 413 I HA -0.174 3.997 4.170 0.001 0.000 0.242 413 I C -0.640 175.636 176.117 0.264 0.000 1.088 413 I CA 1.116 62.529 61.300 0.188 0.000 1.357 413 I CB -1.122 37.002 38.000 0.206 0.000 1.051 413 I HN -0.036 nan 8.210 nan 0.000 0.409 414 P HA -0.215 nan 4.420 nan 0.000 0.216 414 P C 1.446 178.888 177.300 0.237 0.000 1.150 414 P CA 1.615 64.861 63.100 0.244 0.000 0.837 414 P CB -0.097 31.714 31.700 0.186 0.000 0.786 415 H N -0.541 118.594 119.070 0.108 0.000 2.357 415 H HA -0.084 4.472 4.556 0.001 0.000 0.301 415 H C 1.653 176.990 175.328 0.015 0.000 1.082 415 H CA 1.349 57.439 56.048 0.070 0.000 1.342 415 H CB -0.794 28.997 29.762 0.048 0.000 1.389 415 H HN -0.207 nan 8.280 nan 0.000 0.511 416 V N 0.046 119.921 119.914 -0.063 0.000 2.287 416 V HA -0.267 3.853 4.120 0.001 0.000 0.248 416 V C 2.120 177.951 176.094 -0.437 0.000 1.053 416 V CA 2.102 64.228 62.300 -0.290 0.000 1.027 416 V CB -0.750 30.870 31.823 -0.338 0.000 0.646 416 V HN 0.365 nan 8.190 nan 0.000 0.447 417 F N 0.105 119.931 119.950 -0.207 0.000 2.259 417 F HA -0.099 4.428 4.527 0.001 0.000 0.298 417 F C 2.377 178.006 175.800 -0.284 0.000 1.088 417 F CA 1.605 59.424 58.000 -0.302 0.000 1.358 417 F CB -0.502 38.321 39.000 -0.295 0.000 1.040 417 F HN 0.232 nan 8.300 nan 0.000 0.505 418 D N -0.094 120.304 120.400 -0.003 0.000 2.104 418 D HA -0.167 4.474 4.640 0.001 0.000 0.194 418 D C 2.030 178.241 176.300 -0.148 0.000 0.994 418 D CA 1.716 55.729 54.000 0.022 0.000 0.830 418 D CB 0.119 40.964 40.800 0.074 0.000 0.959 418 D HN 0.225 nan 8.370 nan 0.000 0.452 419 S N 0.156 115.660 115.700 -0.325 0.000 2.383 419 S HA -0.053 4.417 4.470 0.001 0.000 0.227 419 S C 2.191 176.440 174.600 -0.584 0.000 1.026 419 S CA 0.312 58.214 58.200 -0.497 0.000 0.981 419 S CB -0.050 62.859 63.200 -0.486 0.000 0.818 419 S HN 0.340 nan 8.310 nan 0.000 0.472 420 I N 1.786 122.124 120.570 -0.387 0.000 2.179 420 I HA -0.226 3.944 4.170 0.001 0.000 0.242 420 I C 2.749 178.814 176.117 -0.086 0.000 1.088 420 I CA 1.159 62.301 61.300 -0.264 0.000 1.357 420 I CB -0.556 37.267 38.000 -0.296 0.000 1.051 420 I HN 0.272 nan 8.210 nan 0.000 0.409 421 A N 0.877 123.668 122.820 -0.047 0.000 1.877 421 A HA -0.233 4.087 4.320 0.001 0.000 0.216 421 A C 2.331 179.835 177.584 -0.133 0.000 1.186 421 A CA 1.697 53.582 52.037 -0.254 0.000 0.620 421 A CB -0.480 18.153 19.000 -0.611 0.000 0.822 421 A HN 0.318 nan 8.150 nan 0.000 0.443 422 K N -0.438 119.873 120.400 -0.150 0.000 2.057 422 K HA -0.089 4.231 4.320 0.001 0.000 0.207 422 K C 2.322 178.904 176.600 -0.030 0.000 1.049 422 K CA 1.161 57.418 56.287 -0.051 0.000 0.931 422 K CB -0.333 32.154 32.500 -0.022 0.000 0.714 422 K HN 0.452 nan 8.250 nan 0.000 0.440 423 A N 1.405 124.047 122.820 -0.298 0.000 1.902 423 A HA -0.144 4.176 4.320 0.001 0.000 0.217 423 A C 2.110 179.779 177.584 0.142 0.000 1.181 423 A CA 1.252 53.277 52.037 -0.019 0.000 0.623 423 A CB -0.562 18.323 19.000 -0.191 0.000 0.818 423 A HN 0.175 nan 8.150 nan 0.000 0.443 424 I N -0.011 120.622 120.570 0.106 0.000 2.163 424 I HA -0.262 3.909 4.170 0.001 0.000 0.243 424 I C 1.835 178.046 176.117 0.155 0.000 1.085 424 I CA 1.584 62.980 61.300 0.160 0.000 1.347 424 I CB -0.422 37.734 38.000 0.259 0.000 1.044 424 I HN 0.247 nan 8.210 nan 0.000 0.408 425 D N 0.733 121.249 120.400 0.194 0.000 2.178 425 D HA -0.173 4.468 4.640 0.001 0.000 0.201 425 D C 1.709 178.077 176.300 0.114 0.000 0.980 425 D CA 1.154 55.245 54.000 0.152 0.000 0.842 425 D CB -0.365 40.550 40.800 0.191 0.000 0.948 425 D HN 0.331 nan 8.370 nan 0.000 0.472 426 D N 0.019 120.504 120.400 0.143 0.000 2.178 426 D HA -0.070 4.570 4.640 0.001 0.000 0.201 426 D C 1.920 178.215 176.300 -0.008 0.000 0.980 426 D CA 0.471 54.538 54.000 0.112 0.000 0.842 426 D CB 0.006 40.965 40.800 0.264 0.000 0.948 426 D HN 0.287 nan 8.370 nan 0.000 0.472 427 L N -0.114 121.100 121.223 -0.016 0.000 2.640 427 L HA 0.182 4.522 4.340 0.001 0.000 0.230 427 L C 1.150 178.013 176.870 -0.012 0.000 1.123 427 L CA -0.146 54.661 54.840 -0.055 0.000 0.900 427 L CB 0.191 42.216 42.059 -0.057 0.000 1.146 427 L HN -0.047 nan 8.230 nan 0.000 0.484 428 R N 0.000 120.507 120.500 0.012 0.000 2.786 428 R HA 0.000 4.340 4.340 0.001 0.000 0.208 428 R CA 0.000 56.106 56.100 0.010 0.000 0.921 428 R CB 0.000 30.310 30.300 0.016 0.000 0.687 428 R HN 0.000 nan 8.270 nan 0.000 0.535