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 2bi3_1_B DATA FIRST_RESID 2 DATA SEQUENCE KQVFNFNAGP SALPKPALER AQKELLNFND TQMSVMELSH RSQSYEEVHE DATA SEQUENCE QAQNLLRELL QIPNDYQILF LQGGASLQFT MLPMNLLTKG TIGNYVLTGS DATA SEQUENCE WSEKALKEAK LLGETHIAAS TKANSYQSIP DFSEFQLNEN DAYLHITSNN DATA SEQUENCE TIYGTQYQNF PEINHAPLIA DMSSDILSRP LKVNQFGMIY AGAQKNLGPS DATA SEQUENCE GVTVVIVKKD LLXXXVEQVP TMLQYATHIK SDSLYNTPPT FSIYMLRNVL DATA SEQUENCE DWIKDLGGAE AIAKQNEEKA KIIYDTIDES NGFYVGHAEK GSRSLMNVTF DATA SEQUENCE NLRNEELNQQ FLAKAKEQGF VGLNGHRSVG GCRASIYNAV PIDACIALRE DATA SEQUENCE LMIQFKENA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.504 176.600 -0.159 0.000 0.988 2 K CA 0.000 56.231 56.287 -0.094 0.000 0.838 2 K CB 0.000 32.453 32.500 -0.078 0.000 1.064 3 Q N 0.715 120.395 119.800 -0.200 0.000 2.296 3 Q HA 0.672 5.017 4.340 0.008 0.000 0.257 3 Q C -0.672 174.988 176.000 -0.566 0.000 0.942 3 Q CA -0.378 55.192 55.803 -0.389 0.000 0.939 3 Q CB 1.668 30.223 28.738 -0.305 0.000 1.198 3 Q HN 0.422 nan 8.270 nan 0.000 0.429 4 V N 5.204 124.668 119.914 -0.751 0.000 2.638 4 V HA 0.530 4.655 4.120 0.008 0.000 0.306 4 V C -1.179 174.386 176.094 -0.883 0.000 1.052 4 V CA -0.700 61.214 62.300 -0.643 0.000 0.885 4 V CB 1.543 33.179 31.823 -0.312 0.000 0.999 4 V HN 0.652 nan 8.190 nan 0.000 0.424 5 F N 2.978 122.787 119.950 -0.235 0.000 2.445 5 F HA 0.452 4.982 4.527 0.005 0.000 0.348 5 F C 0.391 176.157 175.800 -0.056 0.000 1.125 5 F CA -0.585 57.298 58.000 -0.195 0.000 0.983 5 F CB 1.386 40.237 39.000 -0.247 0.000 1.198 5 F HN 0.405 nan 8.300 nan 0.000 0.436 6 N N 3.790 122.453 118.700 -0.062 0.000 2.602 6 N HA 0.169 4.914 4.740 0.008 0.000 0.238 6 N C -0.461 174.947 175.510 -0.169 0.000 1.084 6 N CA -0.216 52.803 53.050 -0.052 0.000 0.952 6 N CB -0.035 38.406 38.487 -0.076 0.000 1.244 6 N HN 0.440 nan 8.380 nan 0.000 0.512 7 F N 0.737 120.758 119.950 0.118 0.000 2.660 7 F HA 0.282 4.813 4.527 0.006 0.000 0.297 7 F C 0.869 176.697 175.800 0.047 0.000 1.132 7 F CA -0.680 57.365 58.000 0.075 0.000 1.372 7 F CB -0.206 38.859 39.000 0.109 0.000 1.003 7 F HN 0.229 nan 8.300 nan 0.000 0.524 8 N N 0.915 119.715 118.700 0.168 0.000 2.407 8 N HA 0.024 4.769 4.740 0.008 0.000 0.250 8 N C 1.044 176.669 175.510 0.191 0.000 1.236 8 N CA 0.454 53.597 53.050 0.156 0.000 0.879 8 N CB 1.197 39.757 38.487 0.121 0.000 1.088 8 N HN 0.270 nan 8.380 nan 0.000 0.450 9 A N 1.135 124.085 122.820 0.217 0.000 2.275 9 A HA 0.392 4.717 4.320 0.008 0.000 0.212 9 A C 0.762 178.593 177.584 0.411 0.000 1.201 9 A CA 0.682 52.909 52.037 0.316 0.000 0.843 9 A CB -0.191 18.959 19.000 0.250 0.000 0.873 9 A HN 0.743 nan 8.150 nan 0.000 0.492 10 G N 0.272 109.232 108.800 0.267 0.000 2.400 10 G HA2 0.348 4.313 3.960 0.008 0.000 0.199 10 G HA3 0.348 4.313 3.960 0.008 0.000 0.199 10 G C -2.957 172.003 174.900 0.102 0.000 1.383 10 G CA -0.769 44.417 45.100 0.144 0.000 1.117 10 G HN 0.122 nan 8.290 nan 0.000 0.621 11 P HA 0.647 nan 4.420 nan 0.000 0.272 11 P C 0.170 177.516 177.300 0.077 0.000 1.254 11 P CA -0.144 62.979 63.100 0.038 0.000 0.795 11 P CB 0.788 32.500 31.700 0.020 0.000 1.022 12 S N -1.457 114.279 115.700 0.060 0.000 2.705 12 S HA 0.675 5.150 4.470 0.008 0.000 0.280 12 S C -0.941 173.681 174.600 0.037 0.000 1.174 12 S CA -0.693 57.573 58.200 0.110 0.000 0.823 12 S CB 1.063 64.420 63.200 0.261 0.000 1.162 12 S HN 0.624 nan 8.310 nan 0.000 0.487 13 A N 0.728 123.563 122.820 0.024 0.000 2.561 13 A HA 0.479 4.804 4.320 0.008 0.000 0.234 13 A C -0.495 177.035 177.584 -0.090 0.000 1.055 13 A CA 0.368 52.374 52.037 -0.051 0.000 0.756 13 A CB -0.563 18.387 19.000 -0.083 0.000 0.986 13 A HN 0.614 nan 8.150 nan 0.000 0.505 14 L N 2.176 123.309 121.223 -0.150 0.000 2.301 14 L HA 0.468 4.812 4.340 0.008 0.000 0.264 14 L C -2.259 174.386 176.870 -0.375 0.000 1.016 14 L CA -2.319 52.378 54.840 -0.239 0.000 0.821 14 L CB 1.940 43.885 42.059 -0.191 0.000 1.346 14 L HN 0.410 nan 8.230 nan 0.000 0.429 15 P HA 0.090 nan 4.420 nan 0.000 0.267 15 P C -0.183 176.819 177.300 -0.497 0.000 1.209 15 P CA -0.193 62.347 63.100 -0.932 0.000 0.763 15 P CB 0.457 31.081 31.700 -1.793 0.000 0.816 16 K N 4.592 124.800 120.400 -0.320 0.000 2.074 16 K HA -0.152 4.173 4.320 0.008 0.000 0.209 16 K C -0.948 175.579 176.600 -0.121 0.000 1.048 16 K CA 1.741 57.930 56.287 -0.163 0.000 0.926 16 K CB -1.841 30.608 32.500 -0.084 0.000 0.713 16 K HN 0.416 nan 8.250 nan 0.000 0.444 17 P HA -0.138 nan 4.420 nan 0.000 0.216 17 P C 1.210 178.490 177.300 -0.034 0.000 1.150 17 P CA 1.622 64.721 63.100 -0.000 0.000 0.837 17 P CB -0.017 31.769 31.700 0.144 0.000 0.786 18 A N -0.874 121.867 122.820 -0.133 0.000 1.930 18 A HA -0.127 4.198 4.320 0.008 0.000 0.217 18 A C 2.200 179.730 177.584 -0.089 0.000 1.175 18 A CA 1.274 53.237 52.037 -0.124 0.000 0.627 18 A CB -1.552 17.325 19.000 -0.206 0.000 0.815 18 A HN 0.122 nan 8.150 nan 0.000 0.443 19 L N -0.919 120.250 121.223 -0.091 0.000 2.109 19 L HA -0.137 4.208 4.340 0.008 0.000 0.207 19 L C 2.576 179.456 176.870 0.018 0.000 1.086 19 L CA 1.274 56.097 54.840 -0.028 0.000 0.760 19 L CB -0.403 41.627 42.059 -0.049 0.000 0.910 19 L HN 0.461 nan 8.230 nan 0.000 0.437 20 E N -0.290 119.911 120.200 0.002 0.000 2.110 20 E HA -0.273 4.082 4.350 0.008 0.000 0.193 20 E C 2.219 178.854 176.600 0.057 0.000 0.988 20 E CA 0.994 57.409 56.400 0.026 0.000 0.804 20 E CB -0.064 29.645 29.700 0.016 0.000 0.745 20 E HN 0.308 nan 8.360 nan 0.000 0.458 21 R N 0.783 121.319 120.500 0.059 0.000 2.081 21 R HA -0.127 4.218 4.340 0.008 0.000 0.235 21 R C 2.265 178.669 176.300 0.174 0.000 1.131 21 R CA 1.299 57.458 56.100 0.098 0.000 0.960 21 R CB -0.212 30.134 30.300 0.076 0.000 0.856 21 R HN 0.133 nan 8.270 nan 0.000 0.436 22 A N 0.908 123.840 122.820 0.187 0.000 1.908 22 A HA -0.264 4.061 4.320 0.008 0.000 0.218 22 A C 2.122 179.855 177.584 0.248 0.000 1.181 22 A CA 1.674 53.909 52.037 0.331 0.000 0.627 22 A CB -0.689 18.513 19.000 0.338 0.000 0.818 22 A HN 0.611 nan 8.150 nan 0.000 0.445 23 Q N -0.319 119.575 119.800 0.157 0.000 2.050 23 Q HA -0.239 4.106 4.340 0.008 0.000 0.202 23 Q C 2.165 178.223 176.000 0.096 0.000 0.980 23 Q CA 2.066 57.934 55.803 0.108 0.000 0.840 23 Q CB -0.182 28.596 28.738 0.066 0.000 0.898 23 Q HN 0.685 nan 8.270 nan 0.000 0.424 24 K N 0.447 120.905 120.400 0.097 0.000 2.063 24 K HA -0.182 4.143 4.320 0.008 0.000 0.208 24 K C 1.227 177.881 176.600 0.091 0.000 1.048 24 K CA 1.775 58.110 56.287 0.079 0.000 0.928 24 K CB 0.018 32.562 32.500 0.073 0.000 0.713 24 K HN 0.402 nan 8.250 nan 0.000 0.442 25 E N 0.436 120.718 120.200 0.137 0.000 2.496 25 E HA -0.011 4.344 4.350 0.008 0.000 0.200 25 E C 1.375 178.059 176.600 0.141 0.000 1.016 25 E CA -0.167 56.319 56.400 0.143 0.000 0.962 25 E CB 0.163 29.982 29.700 0.198 0.000 1.071 25 E HN 0.158 nan 8.360 nan 0.000 0.457 26 L N 0.618 121.909 121.223 0.113 0.000 2.131 26 L HA -0.095 4.250 4.340 0.008 0.000 0.210 26 L C 1.885 178.778 176.870 0.039 0.000 1.092 26 L CA 1.563 56.450 54.840 0.078 0.000 0.759 26 L CB -0.025 42.067 42.059 0.054 0.000 0.903 26 L HN 0.314 nan 8.230 nan 0.000 0.435 27 L N -1.571 119.677 121.223 0.042 0.000 2.416 27 L HA 0.133 4.478 4.340 0.008 0.000 0.216 27 L C 0.312 177.209 176.870 0.045 0.000 1.098 27 L CA 0.122 54.978 54.840 0.027 0.000 0.840 27 L CB -0.114 41.955 42.059 0.016 0.000 0.981 27 L HN 0.279 nan 8.230 nan 0.000 0.462 28 N N 0.137 118.879 118.700 0.068 0.000 2.675 28 N HA 0.116 4.861 4.740 0.008 0.000 0.254 28 N C -1.382 174.189 175.510 0.102 0.000 1.224 28 N CA -0.471 52.621 53.050 0.070 0.000 0.777 28 N CB 0.597 39.104 38.487 0.034 0.000 1.256 28 N HN -0.056 nan 8.380 nan 0.000 0.531 29 F N 3.604 123.548 119.950 -0.009 0.000 2.438 29 F HA 0.357 4.889 4.527 0.008 0.000 0.356 29 F C 1.101 176.910 175.800 0.016 0.000 1.099 29 F CA -0.107 57.889 58.000 -0.007 0.000 1.185 29 F CB 0.453 39.421 39.000 -0.054 0.000 1.115 29 F HN 0.555 nan 8.300 nan 0.000 0.526 30 N N 4.421 122.647 118.700 -0.790 0.000 2.727 30 N HA -0.266 4.479 4.740 0.008 0.000 0.249 30 N C -0.208 175.133 175.510 -0.281 0.000 1.048 30 N CA 1.378 54.018 53.050 -0.684 0.000 0.714 30 N CB -1.186 36.639 38.487 -1.104 0.000 0.959 30 N HN 0.861 nan 8.380 nan 0.000 0.544 31 D N -3.394 116.911 120.400 -0.158 0.000 2.983 31 D HA -0.231 4.414 4.640 0.008 0.000 0.225 31 D C 0.990 177.267 176.300 -0.037 0.000 1.174 31 D CA 1.531 55.487 54.000 -0.073 0.000 0.831 31 D CB -1.666 39.095 40.800 -0.065 0.000 1.104 31 D HN 0.766 nan 8.370 nan 0.000 0.421 32 T N -3.549 110.994 114.554 -0.017 0.000 3.081 32 T HA -0.062 4.293 4.350 0.008 0.000 0.255 32 T C 1.118 175.840 174.700 0.036 0.000 1.113 32 T CA 0.727 62.845 62.100 0.030 0.000 1.082 32 T CB 0.458 69.381 68.868 0.093 0.000 0.939 32 T HN 0.123 nan 8.240 nan 0.000 0.506 33 Q N -0.430 119.389 119.800 0.032 0.000 2.465 33 Q HA -0.125 4.220 4.340 0.008 0.000 0.248 33 Q C -0.313 175.710 176.000 0.038 0.000 0.819 33 Q CA 1.023 56.843 55.803 0.029 0.000 1.219 33 Q CB -2.339 26.410 28.738 0.017 0.000 1.472 33 Q HN 0.666 nan 8.270 nan 0.000 0.630 34 M N -0.663 118.975 119.600 0.063 0.000 2.644 34 M HA 0.440 4.925 4.480 0.008 0.000 0.304 34 M C 0.349 176.698 176.300 0.082 0.000 1.215 34 M CA -0.575 54.760 55.300 0.058 0.000 0.871 34 M CB 2.244 34.879 32.600 0.058 0.000 1.740 34 M HN 0.018 nan 8.290 nan 0.000 0.464 35 S N 0.228 115.948 115.700 0.033 0.000 2.584 35 S HA 0.105 4.580 4.470 0.008 0.000 0.270 35 S C 0.978 175.558 174.600 -0.034 0.000 1.346 35 S CA -0.449 57.754 58.200 0.005 0.000 1.018 35 S CB 1.042 64.213 63.200 -0.049 0.000 0.899 35 S HN 0.615 nan 8.310 nan 0.000 0.542 36 V N 5.324 125.130 119.914 -0.180 0.000 2.469 36 V HA -0.163 3.962 4.120 0.008 0.000 0.251 36 V C 2.065 178.053 176.094 -0.176 0.000 1.064 36 V CA 2.241 64.295 62.300 -0.411 0.000 1.066 36 V CB -0.534 30.683 31.823 -1.011 0.000 0.667 36 V HN 0.948 nan 8.190 nan 0.000 0.461 37 M N -0.922 118.618 119.600 -0.100 0.000 2.549 37 M HA -0.114 4.371 4.480 0.008 0.000 0.260 37 M C 1.511 177.764 176.300 -0.078 0.000 1.076 37 M CA 1.471 56.722 55.300 -0.080 0.000 1.090 37 M CB -0.150 32.366 32.600 -0.141 0.000 1.418 37 M HN 0.419 nan 8.290 nan 0.000 0.486 38 E N -0.142 120.023 120.200 -0.058 0.000 2.498 38 E HA 0.223 4.578 4.350 0.008 0.000 0.203 38 E C -0.226 176.365 176.600 -0.015 0.000 1.013 38 E CA -0.180 56.199 56.400 -0.035 0.000 0.927 38 E CB 0.553 30.241 29.700 -0.021 0.000 1.012 38 E HN 0.417 nan 8.360 nan 0.000 0.482 39 L N 1.074 122.287 121.223 -0.017 0.000 2.375 39 L HA 0.220 4.565 4.340 0.008 0.000 0.271 39 L C 0.646 177.516 176.870 0.001 0.000 1.107 39 L CA -0.596 54.255 54.840 0.018 0.000 0.806 39 L CB 1.315 43.413 42.059 0.065 0.000 1.146 39 L HN -0.071 nan 8.230 nan 0.000 0.447 40 S N 0.894 116.609 115.700 0.025 0.000 2.560 40 S HA -0.030 4.445 4.470 0.008 0.000 0.284 40 S C 1.315 175.934 174.600 0.031 0.000 1.327 40 S CA -0.516 57.701 58.200 0.029 0.000 1.055 40 S CB 0.337 63.530 63.200 -0.011 0.000 0.868 40 S HN 0.763 nan 8.310 nan 0.000 0.506 41 H N 4.950 123.947 119.070 -0.122 0.000 2.559 41 H HA 0.164 4.725 4.556 0.008 0.000 0.273 41 H C 0.975 176.348 175.328 0.076 0.000 1.000 41 H CA 0.435 56.401 56.048 -0.136 0.000 1.195 41 H CB -0.126 29.477 29.762 -0.265 0.000 1.368 41 H HN 0.616 nan 8.280 nan 0.000 0.592 42 R N 1.502 121.783 120.500 -0.364 0.000 2.362 42 R HA 0.096 4.441 4.340 0.008 0.000 0.227 42 R C 0.572 176.835 176.300 -0.063 0.000 0.905 42 R CA 0.369 56.320 56.100 -0.249 0.000 1.067 42 R CB 0.452 30.550 30.300 -0.335 0.000 1.078 42 R HN 0.323 nan 8.270 nan 0.000 0.516 43 S N 0.008 115.717 115.700 0.015 0.000 2.585 43 S HA 0.021 4.496 4.470 0.008 0.000 0.273 43 S C 1.099 175.751 174.600 0.086 0.000 1.339 43 S CA -0.526 57.708 58.200 0.058 0.000 1.028 43 S CB 2.050 65.304 63.200 0.090 0.000 0.906 43 S HN 0.157 nan 8.310 nan 0.000 0.528 44 Q N 1.285 121.125 119.800 0.066 0.000 2.167 44 Q HA -0.103 4.242 4.340 0.008 0.000 0.202 44 Q C 1.994 178.054 176.000 0.100 0.000 0.970 44 Q CA 1.576 57.419 55.803 0.066 0.000 0.855 44 Q CB -0.327 28.440 28.738 0.048 0.000 0.911 44 Q HN 0.919 nan 8.270 nan 0.000 0.438 45 S N 0.069 115.853 115.700 0.140 0.000 2.356 45 S HA -0.191 4.284 4.470 0.008 0.000 0.223 45 S C 1.548 176.300 174.600 0.253 0.000 1.032 45 S CA 1.350 59.684 58.200 0.223 0.000 1.005 45 S CB -0.533 62.825 63.200 0.264 0.000 0.867 45 S HN 0.523 nan 8.310 nan 0.000 0.449 46 Y N 2.162 122.532 120.300 0.117 0.000 2.263 46 Y HA -0.025 4.529 4.550 0.008 0.000 0.292 46 Y C 2.151 178.125 175.900 0.125 0.000 1.130 46 Y CA 1.330 59.481 58.100 0.085 0.000 1.179 46 Y CB -0.391 38.100 38.460 0.051 0.000 0.998 46 Y HN 0.248 nan 8.280 nan 0.000 0.532 47 E N -0.034 120.139 120.200 -0.044 0.000 2.153 47 E HA -0.223 4.132 4.350 0.008 0.000 0.194 47 E C 1.908 178.461 176.600 -0.079 0.000 0.988 47 E CA 1.398 57.740 56.400 -0.097 0.000 0.811 47 E CB -0.050 29.658 29.700 0.013 0.000 0.746 47 E HN 0.636 nan 8.360 nan 0.000 0.466 48 E N -0.058 120.129 120.200 -0.022 0.000 2.106 48 E HA -0.138 4.217 4.350 0.008 0.000 0.192 48 E C 2.063 178.668 176.600 0.007 0.000 0.984 48 E CA 0.784 57.197 56.400 0.021 0.000 0.806 48 E CB 0.190 29.931 29.700 0.069 0.000 0.750 48 E HN 0.040 nan 8.360 nan 0.000 0.458 49 V N 0.388 120.274 119.914 -0.047 0.000 2.307 49 V HA -0.264 3.861 4.120 0.008 0.000 0.245 49 V C 2.121 178.154 176.094 -0.101 0.000 1.045 49 V CA 2.151 64.427 62.300 -0.040 0.000 1.024 49 V CB -0.536 31.265 31.823 -0.036 0.000 0.651 49 V HN 0.329 nan 8.190 nan 0.000 0.449 50 H N 0.360 119.176 119.070 -0.424 0.000 2.289 50 H HA -0.230 4.331 4.556 0.008 0.000 0.296 50 H C 2.406 177.767 175.328 0.055 0.000 1.091 50 H CA 2.481 58.412 56.048 -0.195 0.000 1.274 50 H CB 0.011 29.588 29.762 -0.308 0.000 1.364 50 H HN 0.486 nan 8.280 nan 0.000 0.490 51 E N -0.288 119.967 120.200 0.091 0.000 2.072 51 E HA -0.223 4.132 4.350 0.008 0.000 0.191 51 E C 2.313 178.937 176.600 0.041 0.000 0.985 51 E CA 0.919 57.357 56.400 0.064 0.000 0.801 51 E CB -0.045 29.691 29.700 0.060 0.000 0.750 51 E HN 0.617 nan 8.360 nan 0.000 0.452 52 Q N -0.152 119.669 119.800 0.034 0.000 2.124 52 Q HA -0.179 4.165 4.340 0.008 0.000 0.202 52 Q C 2.016 178.035 176.000 0.032 0.000 0.977 52 Q CA 1.329 57.150 55.803 0.029 0.000 0.850 52 Q CB -0.088 28.669 28.738 0.032 0.000 0.901 52 Q HN 0.306 nan 8.270 nan 0.000 0.429 53 A N 0.547 123.392 122.820 0.041 0.000 1.902 53 A HA -0.243 4.081 4.320 0.008 0.000 0.217 53 A C 1.914 179.615 177.584 0.195 0.000 1.181 53 A CA 1.571 53.648 52.037 0.067 0.000 0.623 53 A CB -0.497 18.480 19.000 -0.040 0.000 0.818 53 A HN 0.483 nan 8.150 nan 0.000 0.443 54 Q N -0.333 119.584 119.800 0.194 0.000 2.050 54 Q HA -0.172 4.173 4.340 0.008 0.000 0.202 54 Q C 1.913 177.925 176.000 0.019 0.000 0.980 54 Q CA 1.483 57.313 55.803 0.045 0.000 0.840 54 Q CB -0.248 28.416 28.738 -0.122 0.000 0.898 54 Q HN 0.616 nan 8.270 nan 0.000 0.424 55 N N 0.664 119.376 118.700 0.019 0.000 2.104 55 N HA -0.138 4.607 4.740 0.008 0.000 0.190 55 N C 1.762 177.278 175.510 0.009 0.000 1.024 55 N CA 1.060 54.115 53.050 0.009 0.000 0.853 55 N CB -0.261 38.234 38.487 0.013 0.000 1.008 55 N HN 0.202 nan 8.380 nan 0.000 0.424 56 L N 0.287 121.520 121.223 0.017 0.000 2.056 56 L HA -0.093 4.252 4.340 0.008 0.000 0.207 56 L C 2.198 179.073 176.870 0.008 0.000 1.078 56 L CA 0.687 55.533 54.840 0.009 0.000 0.749 56 L CB -0.375 41.688 42.059 0.007 0.000 0.901 56 L HN 0.120 nan 8.230 nan 0.000 0.433 57 L N -0.595 120.641 121.223 0.022 0.000 2.046 57 L HA -0.228 4.117 4.340 0.008 0.000 0.208 57 L C 2.839 179.700 176.870 -0.015 0.000 1.077 57 L CA 1.235 56.081 54.840 0.010 0.000 0.747 57 L CB -0.399 41.682 42.059 0.036 0.000 0.896 57 L HN 0.208 nan 8.230 nan 0.000 0.432 58 R N 0.073 120.563 120.500 -0.016 0.000 2.083 58 R HA -0.243 4.102 4.340 0.008 0.000 0.237 58 R C 2.273 178.559 176.300 -0.024 0.000 1.137 58 R CA 1.998 58.083 56.100 -0.026 0.000 0.951 58 R CB -0.176 30.113 30.300 -0.018 0.000 0.851 58 R HN 0.390 nan 8.270 nan 0.000 0.434 59 E N 0.238 120.428 120.200 -0.015 0.000 2.031 59 E HA -0.206 4.149 4.350 0.008 0.000 0.193 59 E C 2.026 178.614 176.600 -0.020 0.000 0.994 59 E CA 1.379 57.770 56.400 -0.015 0.000 0.800 59 E CB -0.074 29.620 29.700 -0.011 0.000 0.752 59 E HN 0.391 nan 8.360 nan 0.000 0.447 60 L N 0.335 121.546 121.223 -0.019 0.000 2.109 60 L HA -0.097 4.248 4.340 0.008 0.000 0.207 60 L C 2.232 179.087 176.870 -0.025 0.000 1.086 60 L CA 0.625 55.453 54.840 -0.021 0.000 0.760 60 L CB -0.028 42.022 42.059 -0.016 0.000 0.910 60 L HN 0.225 nan 8.230 nan 0.000 0.437 61 L N -1.013 120.189 121.223 -0.035 0.000 2.607 61 L HA 0.084 4.429 4.340 0.008 0.000 0.228 61 L C 0.357 177.192 176.870 -0.057 0.000 1.123 61 L CA -0.018 54.792 54.840 -0.050 0.000 0.890 61 L CB -0.037 41.976 42.059 -0.076 0.000 1.103 61 L HN 0.267 nan 8.230 nan 0.000 0.468 62 Q N 1.131 120.905 119.800 -0.045 0.000 2.443 62 Q HA -0.193 4.152 4.340 0.008 0.000 0.337 62 Q C -0.337 175.620 176.000 -0.070 0.000 1.401 62 Q CA 0.388 56.165 55.803 -0.043 0.000 0.943 62 Q CB -1.231 27.489 28.738 -0.030 0.000 1.177 62 Q HN 0.475 nan 8.270 nan 0.000 0.394 63 I N 1.488 122.009 120.570 -0.082 0.000 2.396 63 I HA 0.168 4.343 4.170 0.008 0.000 0.289 63 I C -1.634 174.450 176.117 -0.054 0.000 1.056 63 I CA -1.930 59.292 61.300 -0.129 0.000 1.365 63 I CB 0.362 38.294 38.000 -0.112 0.000 1.407 63 I HN 0.032 nan 8.210 nan 0.000 0.509 64 P HA 0.084 nan 4.420 nan 0.000 0.271 64 P C 0.266 177.654 177.300 0.146 0.000 1.233 64 P CA -0.259 62.894 63.100 0.087 0.000 0.789 64 P CB 0.498 32.304 31.700 0.176 0.000 0.951 65 N N 1.122 119.879 118.700 0.096 0.000 2.272 65 N HA -0.145 4.600 4.740 0.008 0.000 0.185 65 N C 0.742 176.294 175.510 0.070 0.000 1.014 65 N CA 1.283 54.373 53.050 0.068 0.000 0.870 65 N CB -0.589 37.920 38.487 0.038 0.000 0.975 65 N HN 0.565 nan 8.380 nan 0.000 0.433 66 D N -1.252 119.201 120.400 0.088 0.000 2.328 66 D HA -0.077 4.567 4.640 0.008 0.000 0.226 66 D C -0.324 175.888 176.300 -0.145 0.000 1.066 66 D CA -0.025 53.959 54.000 -0.026 0.000 0.861 66 D CB -0.635 40.123 40.800 -0.070 0.000 0.912 66 D HN 0.160 nan 8.370 nan 0.000 0.521 67 Y N 0.547 120.828 120.300 -0.033 0.000 2.387 67 Y HA 0.412 4.967 4.550 0.008 0.000 0.336 67 Y C 0.594 176.460 175.900 -0.056 0.000 1.067 67 Y CA -1.082 56.991 58.100 -0.046 0.000 1.114 67 Y CB 1.474 39.905 38.460 -0.048 0.000 1.208 67 Y HN -0.177 nan 8.280 nan 0.000 0.458 68 Q N 2.254 122.085 119.800 0.051 0.000 2.257 68 Q HA 0.678 5.023 4.340 0.008 0.000 0.262 68 Q C -1.608 174.372 176.000 -0.034 0.000 0.997 68 Q CA -0.672 55.130 55.803 -0.003 0.000 0.873 68 Q CB 1.228 29.950 28.738 -0.025 0.000 1.312 68 Q HN 0.713 nan 8.270 nan 0.000 0.450 69 I N 4.226 124.728 120.570 -0.112 0.000 2.355 69 I HA 0.313 4.487 4.170 0.008 0.000 0.288 69 I C -0.846 175.050 176.117 -0.369 0.000 0.999 69 I CA -0.424 60.745 61.300 -0.219 0.000 1.163 69 I CB 1.023 38.863 38.000 -0.266 0.000 1.316 69 I HN 0.458 nan 8.210 nan 0.000 0.454 70 L N 6.052 127.104 121.223 -0.285 0.000 2.334 70 L HA 0.583 4.928 4.340 0.008 0.000 0.273 70 L C -0.966 175.766 176.870 -0.231 0.000 1.013 70 L CA -0.582 54.109 54.840 -0.249 0.000 0.816 70 L CB 1.566 43.605 42.059 -0.033 0.000 1.278 70 L HN 0.436 nan 8.230 nan 0.000 0.431 71 F N 3.323 123.276 119.950 0.006 0.000 2.382 71 F HA 0.541 5.073 4.527 0.009 0.000 0.361 71 F C -0.158 175.634 175.800 -0.013 0.000 1.109 71 F CA -0.703 57.292 58.000 -0.008 0.000 1.031 71 F CB 1.276 40.274 39.000 -0.004 0.000 1.234 71 F HN 0.146 nan 8.300 nan 0.000 0.445 72 L N 2.786 124.078 121.223 0.115 0.000 2.303 72 L HA 0.513 4.858 4.340 0.008 0.000 0.266 72 L C -0.371 176.489 176.870 -0.016 0.000 1.011 72 L CA -1.096 53.720 54.840 -0.041 0.000 0.818 72 L CB 2.143 44.115 42.059 -0.146 0.000 1.326 72 L HN 0.538 nan 8.230 nan 0.000 0.435 73 Q N -0.229 119.545 119.800 -0.044 0.000 2.180 73 Q HA 0.511 4.855 4.340 0.008 0.000 0.241 73 Q C 0.605 176.571 176.000 -0.058 0.000 0.970 73 Q CA 0.165 55.946 55.803 -0.036 0.000 0.919 73 Q CB 1.483 30.208 28.738 -0.021 0.000 1.222 73 Q HN 0.911 nan 8.270 nan 0.000 0.482 74 G N -0.532 108.236 108.800 -0.054 0.000 2.195 74 G HA2 -0.068 3.896 3.960 0.008 0.000 0.224 74 G HA3 -0.068 3.896 3.960 0.008 0.000 0.224 74 G C 0.427 175.272 174.900 -0.092 0.000 0.990 74 G CA -0.109 44.952 45.100 -0.065 0.000 0.639 74 G HN 1.291 nan 8.290 nan 0.000 0.514 75 G N -0.920 107.823 108.800 -0.094 0.000 2.829 75 G HA2 0.321 4.286 3.960 0.008 0.000 0.628 75 G HA3 0.321 4.286 3.960 0.008 0.000 0.628 75 G C 1.137 175.928 174.900 -0.181 0.000 1.412 75 G CA 0.970 45.995 45.100 -0.125 0.000 0.864 75 G HN 1.877 nan 8.290 nan 0.000 0.544 76 A N -0.296 122.393 122.820 -0.218 0.000 2.024 76 A HA 0.131 4.455 4.320 0.008 0.000 0.220 76 A C 2.777 179.936 177.584 -0.708 0.000 1.164 76 A CA 2.864 54.742 52.037 -0.265 0.000 0.643 76 A CB -0.633 18.247 19.000 -0.200 0.000 0.806 76 A HN 1.595 nan 8.150 nan 0.000 0.451 77 S N -0.689 114.615 115.700 -0.660 0.000 2.383 77 S HA -0.152 4.323 4.470 0.008 0.000 0.229 77 S C 1.787 176.139 174.600 -0.413 0.000 1.030 77 S CA 1.483 59.247 58.200 -0.726 0.000 1.002 77 S CB -0.346 62.729 63.200 -0.208 0.000 0.829 77 S HN 0.527 nan 8.310 nan 0.000 0.467 78 L N 1.675 122.741 121.223 -0.262 0.000 2.217 78 L HA 0.007 4.352 4.340 0.008 0.000 0.211 78 L C 2.129 178.896 176.870 -0.172 0.000 1.107 78 L CA 1.494 56.242 54.840 -0.153 0.000 0.783 78 L CB -0.537 41.451 42.059 -0.119 0.000 0.919 78 L HN 0.111 nan 8.230 nan 0.000 0.442 79 Q N -0.632 118.992 119.800 -0.295 0.000 2.170 79 Q HA -0.158 4.187 4.340 0.008 0.000 0.203 79 Q C 2.263 178.160 176.000 -0.172 0.000 0.976 79 Q CA 1.682 57.265 55.803 -0.366 0.000 0.858 79 Q CB -0.495 27.733 28.738 -0.850 0.000 0.907 79 Q HN 0.617 nan 8.270 nan 0.000 0.433 80 F N -0.221 119.659 119.950 -0.117 0.000 2.154 80 F HA -0.243 4.289 4.527 0.008 0.000 0.301 80 F C 2.479 178.277 175.800 -0.002 0.000 1.087 80 F CA 1.134 59.135 58.000 0.002 0.000 1.274 80 F CB -0.032 39.017 39.000 0.081 0.000 1.009 80 F HN 0.136 nan 8.300 nan 0.000 0.485 81 T N -0.824 113.825 114.554 0.158 0.000 3.039 81 T HA -0.005 4.350 4.350 0.008 0.000 0.250 81 T C 1.787 176.508 174.700 0.035 0.000 1.052 81 T CA 0.130 62.285 62.100 0.093 0.000 1.125 81 T CB -0.019 68.890 68.868 0.068 0.000 0.908 81 T HN 0.144 nan 8.240 nan 0.000 0.473 82 M N 0.623 120.206 119.600 -0.029 0.000 2.117 82 M HA -0.007 4.478 4.480 0.008 0.000 0.262 82 M C 1.985 178.289 176.300 0.005 0.000 1.065 82 M CA 1.387 56.624 55.300 -0.105 0.000 1.114 82 M CB -0.185 32.271 32.600 -0.240 0.000 1.361 82 M HN 0.355 nan 8.290 nan 0.000 0.408 83 L N 1.398 122.671 121.223 0.083 0.000 1.955 83 L HA -0.100 4.245 4.340 0.008 0.000 0.213 83 L C -0.990 175.945 176.870 0.108 0.000 1.072 83 L CA 2.278 57.185 54.840 0.112 0.000 0.755 83 L CB -1.969 40.049 42.059 -0.068 0.000 0.888 83 L HN 0.124 nan 8.230 nan 0.000 0.432 84 P HA -0.181 nan 4.420 nan 0.000 0.220 84 P C 2.006 179.409 177.300 0.170 0.000 1.148 84 P CA 1.742 64.999 63.100 0.262 0.000 0.803 84 P CB -0.236 31.635 31.700 0.285 0.000 0.782 85 M N -0.841 118.821 119.600 0.103 0.000 2.202 85 M HA -0.137 4.348 4.480 0.008 0.000 0.262 85 M C 1.856 178.193 176.300 0.061 0.000 1.063 85 M CA 1.588 56.923 55.300 0.057 0.000 1.097 85 M CB -0.524 32.077 32.600 0.001 0.000 1.382 85 M HN 0.023 nan 8.290 nan 0.000 0.413 86 N N -0.579 118.178 118.700 0.096 0.000 2.402 86 N HA 0.076 4.821 4.740 0.008 0.000 0.174 86 N C 1.476 177.071 175.510 0.142 0.000 1.027 86 N CA 0.938 54.063 53.050 0.125 0.000 0.891 86 N CB 0.564 39.202 38.487 0.251 0.000 1.016 86 N HN 0.344 nan 8.380 nan 0.000 0.439 87 L N 0.313 121.643 121.223 0.179 0.000 2.749 87 L HA 0.215 4.560 4.340 0.008 0.000 0.242 87 L C 0.081 177.083 176.870 0.220 0.000 1.103 87 L CA -0.029 54.930 54.840 0.199 0.000 0.906 87 L CB 0.604 42.809 42.059 0.243 0.000 1.228 87 L HN 0.006 nan 8.230 nan 0.000 0.517 88 L N 2.251 123.615 121.223 0.234 0.000 2.423 88 L HA 0.203 4.548 4.340 0.008 0.000 0.249 88 L C 0.710 177.638 176.870 0.097 0.000 1.276 88 L CA -0.016 54.929 54.840 0.176 0.000 1.199 88 L CB -0.363 41.830 42.059 0.223 0.000 1.407 88 L HN 0.065 nan 8.230 nan 0.000 0.410 89 T N -0.163 114.434 114.554 0.070 0.000 2.849 89 T HA 0.295 4.650 4.350 0.008 0.000 0.284 89 T C 0.291 175.009 174.700 0.030 0.000 1.004 89 T CA -0.807 61.321 62.100 0.046 0.000 1.021 89 T CB 0.843 69.734 68.868 0.038 0.000 1.013 89 T HN 0.500 nan 8.240 nan 0.000 0.527 90 K N 0.182 120.597 120.400 0.024 0.000 2.436 90 K HA 0.370 4.695 4.320 0.008 0.000 0.275 90 K C 1.455 178.062 176.600 0.011 0.000 0.999 90 K CA 1.075 57.372 56.287 0.018 0.000 0.980 90 K CB -0.570 31.939 32.500 0.016 0.000 0.919 90 K HN 1.174 nan 8.250 nan 0.000 0.484 91 G N 1.900 110.704 108.800 0.008 0.000 2.162 91 G HA2 -0.294 3.670 3.960 0.008 0.000 0.260 91 G HA3 -0.294 3.670 3.960 0.008 0.000 0.260 91 G C 0.132 175.029 174.900 -0.005 0.000 0.976 91 G CA 0.858 45.959 45.100 0.002 0.000 0.655 91 G HN 1.030 nan 8.290 nan 0.000 0.533 92 T N -1.819 112.731 114.554 -0.007 0.000 2.927 92 T HA 0.803 5.158 4.350 0.008 0.000 0.286 92 T C -0.159 174.516 174.700 -0.042 0.000 1.040 92 T CA -0.921 61.162 62.100 -0.027 0.000 1.010 92 T CB 2.637 71.488 68.868 -0.028 0.000 1.177 92 T HN 0.562 nan 8.240 nan 0.000 0.546 93 I N 0.547 121.064 120.570 -0.088 0.000 2.498 93 I HA 0.523 4.697 4.170 0.008 0.000 0.290 93 I C 0.580 176.553 176.117 -0.240 0.000 1.032 93 I CA -1.161 60.081 61.300 -0.096 0.000 1.073 93 I CB 2.112 40.067 38.000 -0.076 0.000 1.251 93 I HN 0.966 nan 8.210 nan 0.000 0.426 94 G N 3.914 112.598 108.800 -0.194 0.000 2.393 94 G HA2 0.195 4.160 3.960 0.008 0.000 0.311 94 G HA3 0.195 4.160 3.960 0.008 0.000 0.311 94 G C -0.520 174.343 174.900 -0.062 0.000 1.067 94 G CA -0.244 44.578 45.100 -0.462 0.000 1.000 94 G HN 0.513 nan 8.290 nan 0.000 0.422 95 N N 1.454 119.996 118.700 -0.263 0.000 2.419 95 N HA 0.414 5.159 4.740 0.008 0.000 0.277 95 N C -1.385 174.088 175.510 -0.061 0.000 1.006 95 N CA -0.471 52.604 53.050 0.042 0.000 0.923 95 N CB 0.880 39.395 38.487 0.047 0.000 1.140 95 N HN 0.368 nan 8.380 nan 0.000 0.488 96 Y N 1.070 121.434 120.300 0.106 0.000 2.393 96 Y HA 0.418 4.973 4.550 0.008 0.000 0.341 96 Y C 0.007 175.929 175.900 0.037 0.000 0.988 96 Y CA -0.860 57.312 58.100 0.120 0.000 1.078 96 Y CB 1.636 40.142 38.460 0.077 0.000 1.203 96 Y HN 0.110 nan 8.280 nan 0.000 0.453 97 V N 5.390 125.390 119.914 0.143 0.000 2.350 97 V HA 0.270 4.395 4.120 0.008 0.000 0.276 97 V C -0.212 175.994 176.094 0.187 0.000 1.028 97 V CA -0.770 61.559 62.300 0.048 0.000 0.860 97 V CB 0.750 32.530 31.823 -0.071 0.000 0.990 97 V HN 0.558 nan 8.190 nan 0.000 0.453 98 L N 5.612 126.936 121.223 0.169 0.000 2.261 98 L HA 0.391 4.736 4.340 0.008 0.000 0.289 98 L C 0.975 177.967 176.870 0.203 0.000 1.059 98 L CA -0.034 54.917 54.840 0.185 0.000 0.816 98 L CB 1.079 43.273 42.059 0.224 0.000 1.191 98 L HN 0.834 nan 8.230 nan 0.000 0.431 99 T N -1.658 112.909 114.554 0.022 0.000 3.170 99 T HA 0.536 4.890 4.350 0.008 0.000 0.288 99 T C 0.424 174.767 174.700 -0.595 0.000 0.992 99 T CA 0.029 62.103 62.100 -0.044 0.000 0.909 99 T CB 0.815 69.780 68.868 0.162 0.000 1.133 99 T HN 0.743 nan 8.240 nan 0.000 0.530 100 G N 0.859 108.938 108.800 -1.201 0.000 2.321 100 G HA2 0.373 4.338 3.960 0.008 0.000 0.296 100 G HA3 0.373 4.338 3.960 0.008 0.000 0.296 100 G C 0.450 174.934 174.900 -0.692 0.000 1.287 100 G CA 0.119 44.430 45.100 -1.315 0.000 0.846 100 G HN 0.208 nan 8.290 nan 0.000 0.508 101 S N -1.310 114.264 115.700 -0.209 0.000 2.406 101 S HA -0.055 4.419 4.470 0.008 0.000 0.228 101 S C 1.796 176.273 174.600 -0.205 0.000 1.020 101 S CA 1.945 60.050 58.200 -0.159 0.000 0.965 101 S CB -0.393 62.712 63.200 -0.158 0.000 0.798 101 S HN 0.580 nan 8.310 nan 0.000 0.488 102 W N 1.844 123.142 121.300 -0.004 0.000 2.374 102 W HA 0.037 4.701 4.660 0.008 0.000 0.288 102 W C 2.891 179.367 176.519 -0.072 0.000 1.218 102 W CA 0.705 58.073 57.345 0.039 0.000 1.245 102 W CB -0.375 29.175 29.460 0.150 0.000 1.126 102 W HN 0.279 nan 8.180 nan 0.000 0.545 103 S N 0.277 116.061 115.700 0.139 0.000 2.368 103 S HA -0.210 4.265 4.470 0.008 0.000 0.225 103 S C 1.425 175.991 174.600 -0.058 0.000 1.030 103 S CA 1.553 59.810 58.200 0.095 0.000 0.999 103 S CB -0.417 62.838 63.200 0.092 0.000 0.844 103 S HN 0.372 nan 8.310 nan 0.000 0.459 104 E N 0.802 120.953 120.200 -0.081 0.000 2.110 104 E HA -0.130 4.225 4.350 0.008 0.000 0.193 104 E C 2.009 178.499 176.600 -0.183 0.000 0.988 104 E CA 0.787 57.122 56.400 -0.107 0.000 0.804 104 E CB 0.006 29.677 29.700 -0.049 0.000 0.745 104 E HN 0.194 nan 8.360 nan 0.000 0.458 105 K N 0.389 120.676 120.400 -0.188 0.000 2.097 105 K HA -0.037 4.288 4.320 0.008 0.000 0.205 105 K C 2.005 178.315 176.600 -0.482 0.000 1.050 105 K CA 1.033 57.204 56.287 -0.192 0.000 0.938 105 K CB -0.395 32.139 32.500 0.056 0.000 0.718 105 K HN 0.091 nan 8.250 nan 0.000 0.442 106 A N 1.462 123.754 122.820 -0.880 0.000 1.873 106 A HA -0.131 4.194 4.320 0.008 0.000 0.215 106 A C 2.222 179.438 177.584 -0.613 0.000 1.186 106 A CA 1.289 52.747 52.037 -0.964 0.000 0.616 106 A CB -0.603 17.902 19.000 -0.825 0.000 0.823 106 A HN 0.236 nan 8.150 nan 0.000 0.442 107 L N 0.175 120.947 121.223 -0.751 0.000 2.042 107 L HA -0.159 4.186 4.340 0.008 0.000 0.210 107 L C 2.250 178.812 176.870 -0.514 0.000 1.076 107 L CA 2.785 56.991 54.840 -1.056 0.000 0.749 107 L CB -0.603 41.000 42.059 -0.760 0.000 0.893 107 L HN 0.463 nan 8.230 nan 0.000 0.432 108 K N -0.717 119.497 120.400 -0.309 0.000 2.074 108 K HA -0.221 4.104 4.320 0.008 0.000 0.209 108 K C 1.945 178.484 176.600 -0.101 0.000 1.048 108 K CA 1.782 57.974 56.287 -0.159 0.000 0.926 108 K CB -0.097 32.345 32.500 -0.095 0.000 0.713 108 K HN 0.373 nan 8.250 nan 0.000 0.444 109 E N 0.130 120.284 120.200 -0.076 0.000 2.150 109 E HA -0.145 4.210 4.350 0.008 0.000 0.193 109 E C 1.913 178.522 176.600 0.015 0.000 0.985 109 E CA 1.152 57.561 56.400 0.016 0.000 0.814 109 E CB -0.227 29.539 29.700 0.111 0.000 0.752 109 E HN 0.469 nan 8.360 nan 0.000 0.466 110 A N 1.305 124.108 122.820 -0.029 0.000 1.969 110 A HA -0.157 4.168 4.320 0.008 0.000 0.218 110 A C 2.038 179.637 177.584 0.026 0.000 1.169 110 A CA 1.315 53.391 52.037 0.065 0.000 0.635 110 A CB -0.278 18.825 19.000 0.171 0.000 0.810 110 A HN 0.100 nan 8.150 nan 0.000 0.445 111 K N -0.268 120.107 120.400 -0.042 0.000 2.280 111 K HA 0.025 4.350 4.320 0.008 0.000 0.202 111 K C 1.599 178.201 176.600 0.002 0.000 1.047 111 K CA 0.853 57.126 56.287 -0.023 0.000 0.942 111 K CB -0.304 32.164 32.500 -0.052 0.000 0.739 111 K HN 0.485 nan 8.250 nan 0.000 0.457 112 L N 0.272 121.501 121.223 0.009 0.000 2.131 112 L HA -0.161 4.184 4.340 0.008 0.000 0.210 112 L C 1.759 178.647 176.870 0.029 0.000 1.092 112 L CA 1.131 55.983 54.840 0.019 0.000 0.759 112 L CB -0.160 41.914 42.059 0.025 0.000 0.903 112 L HN 0.199 nan 8.230 nan 0.000 0.435 113 L N -1.704 119.544 121.223 0.043 0.000 2.664 113 L HA 0.373 4.718 4.340 0.008 0.000 0.233 113 L C 0.797 177.699 176.870 0.054 0.000 1.113 113 L CA 0.034 54.905 54.840 0.052 0.000 0.896 113 L CB 0.289 42.391 42.059 0.072 0.000 1.163 113 L HN 0.251 nan 8.230 nan 0.000 0.497 114 G N -0.393 108.437 108.800 0.051 0.000 2.340 114 G HA2 0.096 4.060 3.960 0.008 0.000 0.299 114 G HA3 0.096 4.060 3.960 0.008 0.000 0.299 114 G C -1.752 173.173 174.900 0.042 0.000 1.291 114 G CA -0.675 44.453 45.100 0.048 0.000 0.841 114 G HN -0.110 nan 8.290 nan 0.000 0.500 115 E N 0.048 120.269 120.200 0.036 0.000 2.344 115 E HA 0.480 4.835 4.350 0.008 0.000 0.270 115 E C 0.517 177.149 176.600 0.054 0.000 1.021 115 E CA 0.249 56.671 56.400 0.037 0.000 0.887 115 E CB 0.537 30.253 29.700 0.027 0.000 0.997 115 E HN 0.659 nan 8.360 nan 0.000 0.429 116 T N 1.295 115.891 114.554 0.070 0.000 2.883 116 T HA 0.449 4.804 4.350 0.008 0.000 0.284 116 T C -0.667 174.141 174.700 0.180 0.000 1.041 116 T CA -0.893 61.277 62.100 0.116 0.000 1.007 116 T CB 1.687 70.590 68.868 0.058 0.000 1.220 116 T HN 0.574 nan 8.240 nan 0.000 0.552 117 H N -0.762 118.360 119.070 0.086 0.000 3.068 117 H HA 0.394 4.955 4.556 0.008 0.000 0.342 117 H C -1.860 173.530 175.328 0.103 0.000 1.284 117 H CA -0.758 55.331 56.048 0.067 0.000 1.181 117 H CB 1.816 31.605 29.762 0.045 0.000 1.898 117 H HN 0.680 nan 8.280 nan 0.000 0.540 118 I N 3.694 124.031 120.570 -0.388 0.000 2.330 118 I HA 0.220 4.395 4.170 0.008 0.000 0.286 118 I C 1.286 177.274 176.117 -0.214 0.000 1.025 118 I CA -0.235 60.958 61.300 -0.179 0.000 1.197 118 I CB 1.508 39.430 38.000 -0.130 0.000 1.358 118 I HN 0.671 nan 8.210 nan 0.000 0.467 119 A N 5.344 128.166 122.820 0.004 0.000 2.015 119 A HA 0.440 4.765 4.320 0.008 0.000 0.219 119 A C 1.038 178.596 177.584 -0.044 0.000 1.163 119 A CA 1.331 53.383 52.037 0.024 0.000 0.646 119 A CB 0.003 18.937 19.000 -0.109 0.000 0.806 119 A HN 0.851 nan 8.150 nan 0.000 0.448 120 A N -2.464 120.307 122.820 -0.082 0.000 2.571 120 A HA 0.575 4.900 4.320 0.008 0.000 0.296 120 A C -0.570 177.036 177.584 0.037 0.000 1.005 120 A CA 0.374 52.413 52.037 0.003 0.000 0.682 120 A CB -0.029 19.020 19.000 0.082 0.000 1.292 120 A HN 1.285 nan 8.150 nan 0.000 0.420 121 S N -0.323 115.427 115.700 0.082 0.000 2.543 121 S HA 0.635 5.109 4.470 0.008 0.000 0.273 121 S C 0.085 174.739 174.600 0.091 0.000 1.152 121 S CA 0.513 58.784 58.200 0.117 0.000 0.910 121 S CB 1.316 64.561 63.200 0.075 0.000 1.105 121 S HN 1.971 nan 8.310 nan 0.000 0.465 122 T N 1.333 115.975 114.554 0.146 0.000 3.214 122 T HA 0.280 4.635 4.350 0.008 0.000 0.264 122 T C 1.258 175.782 174.700 -0.293 0.000 1.012 122 T CA -0.265 61.845 62.100 0.017 0.000 0.901 122 T CB 0.084 69.014 68.868 0.104 0.000 1.070 122 T HN 0.627 nan 8.240 nan 0.000 0.561 123 K N 1.609 121.706 120.400 -0.505 0.000 2.103 123 K HA -0.048 4.276 4.320 0.008 0.000 0.207 123 K C 2.417 178.672 176.600 -0.574 0.000 1.048 123 K CA 1.337 56.964 56.287 -1.100 0.000 0.930 123 K CB -0.577 31.592 32.500 -0.551 0.000 0.716 123 K HN 0.417 nan 8.250 nan 0.000 0.444 124 A N 1.248 123.892 122.820 -0.294 0.000 1.972 124 A HA -0.182 4.143 4.320 0.008 0.000 0.219 124 A C 1.658 179.145 177.584 -0.162 0.000 1.169 124 A CA 1.639 53.568 52.037 -0.180 0.000 0.635 124 A CB -0.528 18.408 19.000 -0.106 0.000 0.810 124 A HN 0.564 nan 8.150 nan 0.000 0.446 125 N N 0.084 118.679 118.700 -0.175 0.000 2.378 125 N HA 0.066 4.811 4.740 0.008 0.000 0.243 125 N C -0.590 174.854 175.510 -0.110 0.000 1.137 125 N CA 0.597 53.580 53.050 -0.111 0.000 0.862 125 N CB -0.078 38.364 38.487 -0.076 0.000 1.116 125 N HN 0.207 nan 8.380 nan 0.000 0.499 126 S N 0.385 115.963 115.700 -0.202 0.000 3.549 126 S HA -0.227 4.248 4.470 0.008 0.000 0.366 126 S C -0.244 174.328 174.600 -0.047 0.000 1.012 126 S CA 0.577 58.692 58.200 -0.142 0.000 1.141 126 S CB -2.392 60.889 63.200 0.135 0.000 0.910 126 S HN 0.697 nan 8.310 nan 0.000 0.471 127 Y N -1.687 118.542 120.300 -0.119 0.000 3.234 127 Y HA -0.314 4.241 4.550 0.008 0.000 0.207 127 Y C 1.366 177.313 175.900 0.079 0.000 1.316 127 Y CA 0.730 58.733 58.100 -0.162 0.000 1.309 127 Y CB -1.918 36.135 38.460 -0.679 0.000 1.408 127 Y HN 0.579 nan 8.280 nan 0.000 0.544 128 Q N -0.062 119.807 119.800 0.116 0.000 2.425 128 Q HA 0.071 4.416 4.340 0.008 0.000 0.204 128 Q C 0.721 176.733 176.000 0.021 0.000 0.933 128 Q CA 0.733 56.519 55.803 -0.029 0.000 0.939 128 Q CB 0.556 29.185 28.738 -0.182 0.000 1.044 128 Q HN 0.518 nan 8.270 nan 0.000 0.513 129 S N -1.165 114.572 115.700 0.061 0.000 2.625 129 S HA 0.463 4.938 4.470 0.008 0.000 0.271 129 S C -0.916 173.701 174.600 0.028 0.000 1.161 129 S CA -1.024 57.190 58.200 0.022 0.000 0.820 129 S CB 1.187 64.375 63.200 -0.020 0.000 1.137 129 S HN -0.024 nan 8.310 nan 0.000 0.470 130 I N 2.721 123.262 120.570 -0.048 0.000 2.395 130 I HA 0.410 4.585 4.170 0.008 0.000 0.289 130 I C -1.899 174.194 176.117 -0.039 0.000 1.023 130 I CA -2.209 59.023 61.300 -0.115 0.000 1.350 130 I CB 0.041 37.831 38.000 -0.349 0.000 1.409 130 I HN 0.566 nan 8.210 nan 0.000 0.507 131 P HA 0.036 nan 4.420 nan 0.000 0.269 131 P C -0.269 177.109 177.300 0.130 0.000 1.215 131 P CA -0.298 62.903 63.100 0.168 0.000 0.780 131 P CB 0.940 32.843 31.700 0.338 0.000 0.898 132 D N 1.250 121.667 120.400 0.028 0.000 2.425 132 D HA 0.009 4.653 4.640 0.008 0.000 0.247 132 D C 1.080 177.327 176.300 -0.089 0.000 1.147 132 D CA -0.019 53.900 54.000 -0.136 0.000 0.879 132 D CB 0.306 41.043 40.800 -0.105 0.000 1.179 132 D HN 0.294 nan 8.370 nan 0.000 0.456 133 F N 1.221 120.935 119.950 -0.393 0.000 2.269 133 F HA -0.227 4.305 4.527 0.008 0.000 0.301 133 F C 2.704 178.147 175.800 -0.596 0.000 1.082 133 F CA 0.471 57.899 58.000 -0.954 0.000 1.360 133 F CB -0.064 38.541 39.000 -0.659 0.000 1.041 133 F HN 0.374 nan 8.300 nan 0.000 0.512 134 S N -0.180 115.460 115.700 -0.100 0.000 2.469 134 S HA -0.151 4.323 4.470 0.008 0.000 0.238 134 S C 1.380 176.006 174.600 0.043 0.000 0.998 134 S CA 0.911 59.094 58.200 -0.029 0.000 0.957 134 S CB -0.363 62.819 63.200 -0.029 0.000 0.764 134 S HN 0.409 nan 8.310 nan 0.000 0.514 135 E N 0.392 120.654 120.200 0.103 0.000 2.481 135 E HA 0.151 4.505 4.350 0.008 0.000 0.195 135 E C -0.476 176.354 176.600 0.384 0.000 1.047 135 E CA -0.088 56.439 56.400 0.212 0.000 0.867 135 E CB -0.113 29.727 29.700 0.234 0.000 0.858 135 E HN 0.505 nan 8.360 nan 0.000 0.513 136 F N 2.250 122.276 119.950 0.126 0.000 2.529 136 F HA 0.036 4.568 4.527 0.008 0.000 0.365 136 F C 1.171 177.027 175.800 0.094 0.000 1.102 136 F CA -0.383 57.691 58.000 0.124 0.000 1.271 136 F CB 0.298 39.373 39.000 0.125 0.000 1.120 136 F HN -0.193 nan 8.300 nan 0.000 0.579 137 Q N 5.072 125.032 119.800 0.266 0.000 2.398 137 Q HA 0.441 4.786 4.340 0.008 0.000 0.251 137 Q C -0.501 175.611 176.000 0.187 0.000 0.999 137 Q CA -0.190 55.743 55.803 0.217 0.000 0.874 137 Q CB 1.528 30.428 28.738 0.269 0.000 1.215 137 Q HN 0.560 nan 8.270 nan 0.000 0.470 138 L N 1.758 123.008 121.223 0.044 0.000 2.334 138 L HA 0.568 4.913 4.340 0.008 0.000 0.270 138 L C 0.237 177.019 176.870 -0.147 0.000 1.018 138 L CA -0.894 53.899 54.840 -0.079 0.000 0.811 138 L CB 1.304 43.178 42.059 -0.308 0.000 1.271 138 L HN 0.394 nan 8.230 nan 0.000 0.443 139 N N 0.432 119.070 118.700 -0.103 0.000 2.238 139 N HA 0.127 4.872 4.740 0.008 0.000 0.302 139 N C 0.214 175.756 175.510 0.052 0.000 1.072 139 N CA -0.563 52.434 53.050 -0.088 0.000 0.792 139 N CB 2.644 41.025 38.487 -0.178 0.000 1.425 139 N HN 0.672 nan 8.380 nan 0.000 0.478 140 E N 1.121 121.335 120.200 0.023 0.000 2.130 140 E HA -0.206 4.149 4.350 0.008 0.000 0.196 140 E C 0.532 177.171 176.600 0.064 0.000 0.998 140 E CA 1.414 57.853 56.400 0.065 0.000 0.806 140 E CB 0.131 29.844 29.700 0.021 0.000 0.738 140 E HN 0.536 nan 8.360 nan 0.000 0.459 141 N N 0.889 119.599 118.700 0.017 0.000 2.327 141 N HA -0.008 4.737 4.740 0.008 0.000 0.231 141 N C -0.873 174.616 175.510 -0.036 0.000 1.130 141 N CA -0.030 53.015 53.050 -0.009 0.000 0.845 141 N CB 0.029 38.504 38.487 -0.019 0.000 1.073 141 N HN -0.050 nan 8.380 nan 0.000 0.496 142 D N 0.959 121.351 120.400 -0.014 0.000 2.458 142 D HA 0.108 4.753 4.640 0.008 0.000 0.243 142 D C 1.007 177.214 176.300 -0.156 0.000 1.146 142 D CA 0.046 53.991 54.000 -0.091 0.000 0.877 142 D CB 1.498 42.297 40.800 -0.003 0.000 1.176 142 D HN 0.336 nan 8.370 nan 0.000 0.461 143 A N 3.222 125.909 122.820 -0.222 0.000 2.014 143 A HA 0.021 4.345 4.320 0.008 0.000 0.218 143 A C 0.174 177.729 177.584 -0.049 0.000 1.163 143 A CA 1.104 53.057 52.037 -0.139 0.000 0.652 143 A CB -0.326 18.610 19.000 -0.106 0.000 0.808 143 A HN 0.685 nan 8.150 nan 0.000 0.449 144 Y N -5.256 114.997 120.300 -0.079 0.000 2.732 144 Y HA 0.597 5.152 4.550 0.008 0.000 0.342 144 Y C -1.435 174.405 175.900 -0.100 0.000 1.203 144 Y CA -1.836 56.205 58.100 -0.099 0.000 1.092 144 Y CB 0.537 38.964 38.460 -0.054 0.000 1.345 144 Y HN 0.008 nan 8.280 nan 0.000 0.458 145 L N 3.321 124.626 121.223 0.136 0.000 2.305 145 L HA 0.493 4.838 4.340 0.008 0.000 0.284 145 L C -1.065 175.874 176.870 0.115 0.000 1.013 145 L CA -0.362 54.532 54.840 0.089 0.000 0.819 145 L CB 0.927 43.053 42.059 0.110 0.000 1.227 145 L HN 0.884 nan 8.230 nan 0.000 0.417 146 H N 6.316 125.323 119.070 -0.105 0.000 2.467 146 H HA 0.557 5.117 4.556 0.008 0.000 0.326 146 H C -0.897 174.396 175.328 -0.059 0.000 1.094 146 H CA -0.418 55.539 56.048 -0.151 0.000 1.253 146 H CB 1.422 30.904 29.762 -0.467 0.000 1.439 146 H HN 0.781 nan 8.280 nan 0.000 0.479 147 I N 1.120 121.520 120.570 -0.283 0.000 3.002 147 I HA 0.477 4.652 4.170 0.008 0.000 0.310 147 I C -0.932 175.063 176.117 -0.202 0.000 1.087 147 I CA -0.912 60.328 61.300 -0.099 0.000 1.017 147 I CB 2.558 40.444 38.000 -0.191 0.000 1.226 147 I HN 0.318 nan 8.210 nan 0.000 0.443 148 T N 1.734 116.323 114.554 0.057 0.000 2.788 148 T HA 0.217 4.572 4.350 0.008 0.000 0.296 148 T C 1.038 175.822 174.700 0.140 0.000 1.009 148 T CA -0.253 61.898 62.100 0.084 0.000 0.949 148 T CB 1.359 70.363 68.868 0.227 0.000 0.946 148 T HN 0.820 nan 8.240 nan 0.000 0.453 149 S N 3.122 118.840 115.700 0.030 0.000 2.402 149 S HA -0.046 4.428 4.470 0.008 0.000 0.229 149 S C 0.736 175.555 174.600 0.365 0.000 1.021 149 S CA 0.418 58.742 58.200 0.205 0.000 0.974 149 S CB -0.239 63.073 63.200 0.186 0.000 0.800 149 S HN 0.640 nan 8.310 nan 0.000 0.484 150 N N 1.271 120.118 118.700 0.244 0.000 2.410 150 N HA 0.293 5.037 4.740 0.008 0.000 0.287 150 N C -2.039 173.621 175.510 0.249 0.000 1.044 150 N CA -0.499 52.702 53.050 0.251 0.000 0.881 150 N CB 1.054 39.667 38.487 0.210 0.000 1.405 150 N HN 0.086 nan 8.380 nan 0.000 0.490 151 N N 2.722 121.590 118.700 0.280 0.000 2.602 151 N HA 0.082 4.826 4.740 0.008 0.000 0.238 151 N C 0.339 176.046 175.510 0.328 0.000 1.084 151 N CA 0.011 53.245 53.050 0.306 0.000 0.952 151 N CB 1.035 39.677 38.487 0.259 0.000 1.244 151 N HN 0.611 nan 8.380 nan 0.000 0.512 152 T N 0.921 115.696 114.554 0.368 0.000 2.737 152 T HA -0.089 4.266 4.350 0.008 0.000 0.269 152 T C 1.897 176.745 174.700 0.246 0.000 1.040 152 T CA 1.047 63.347 62.100 0.333 0.000 1.142 152 T CB 0.170 69.265 68.868 0.377 0.000 0.861 152 T HN 0.449 nan 8.240 nan 0.000 0.456 153 I N -1.181 119.496 120.570 0.179 0.000 2.852 153 I HA 0.036 4.211 4.170 0.008 0.000 0.264 153 I C 1.558 177.488 176.117 -0.312 0.000 1.179 153 I CA 0.921 62.137 61.300 -0.140 0.000 1.480 153 I CB 0.003 37.726 38.000 -0.461 0.000 1.111 153 I HN 0.197 nan 8.210 nan 0.000 0.441 154 Y N 0.400 120.722 120.300 0.038 0.000 2.458 154 Y HA 0.288 4.843 4.550 0.008 0.000 0.254 154 Y C 1.779 177.777 175.900 0.164 0.000 1.120 154 Y CA 0.392 58.505 58.100 0.021 0.000 1.282 154 Y CB 0.507 39.027 38.460 0.100 0.000 1.109 154 Y HN 0.180 nan 8.280 nan 0.000 0.526 155 G N 1.517 110.489 108.800 0.287 0.000 2.182 155 G HA2 -0.264 3.701 3.960 0.008 0.000 0.248 155 G HA3 -0.264 3.701 3.960 0.008 0.000 0.248 155 G C 0.107 175.195 174.900 0.314 0.000 1.042 155 G CA 0.449 45.723 45.100 0.291 0.000 0.775 155 G HN 0.424 nan 8.290 nan 0.000 0.501 156 T N -3.274 111.458 114.554 0.297 0.000 2.932 156 T HA 0.790 5.145 4.350 0.008 0.000 0.289 156 T C -0.635 174.194 174.700 0.215 0.000 1.039 156 T CA -0.105 62.132 62.100 0.229 0.000 1.024 156 T CB 2.839 71.830 68.868 0.206 0.000 1.090 156 T HN 0.841 nan 8.240 nan 0.000 0.496 157 Q N 0.586 120.485 119.800 0.165 0.000 2.353 157 Q HA 0.340 4.684 4.340 0.008 0.000 0.275 157 Q C -1.835 174.259 176.000 0.155 0.000 1.029 157 Q CA -0.835 55.094 55.803 0.210 0.000 0.848 157 Q CB 1.821 30.677 28.738 0.197 0.000 1.390 157 Q HN 0.763 nan 8.270 nan 0.000 0.401 158 Y N 2.770 123.116 120.300 0.077 0.000 2.632 158 Y HA -0.076 4.479 4.550 0.008 0.000 0.329 158 Y C 1.373 177.173 175.900 -0.168 0.000 1.174 158 Y CA 0.518 58.599 58.100 -0.032 0.000 1.469 158 Y CB 0.743 39.128 38.460 -0.124 0.000 1.242 158 Y HN 0.622 nan 8.280 nan 0.000 0.540 159 Q N 2.292 122.064 119.800 -0.047 0.000 2.172 159 Q HA -0.055 4.290 4.340 0.008 0.000 0.200 159 Q C -0.108 175.811 176.000 -0.133 0.000 0.964 159 Q CA 1.049 56.806 55.803 -0.077 0.000 0.855 159 Q CB -0.169 28.520 28.738 -0.083 0.000 0.918 159 Q HN 0.839 nan 8.270 nan 0.000 0.444 160 N N -1.779 116.823 118.700 -0.162 0.000 3.039 160 N HA 0.471 5.216 4.740 0.008 0.000 0.257 160 N C -1.331 174.063 175.510 -0.193 0.000 1.497 160 N CA -0.677 52.261 53.050 -0.187 0.000 0.861 160 N CB 0.309 38.826 38.487 0.050 0.000 1.479 160 N HN -0.152 nan 8.380 nan 0.000 0.547 161 F N -0.740 119.384 119.950 0.290 0.000 2.522 161 F HA 0.643 5.175 4.527 0.008 0.000 0.324 161 F C -2.045 173.640 175.800 -0.191 0.000 1.077 161 F CA -1.896 56.142 58.000 0.065 0.000 0.944 161 F CB 2.178 41.139 39.000 -0.065 0.000 1.175 161 F HN 0.256 nan 8.300 nan 0.000 0.468 162 P HA 0.046 nan 4.420 nan 0.000 0.275 162 P C -0.871 176.311 177.300 -0.197 0.000 1.228 162 P CA -0.236 62.526 63.100 -0.563 0.000 0.786 162 P CB 0.802 32.022 31.700 -0.799 0.000 0.927 163 E N 2.534 122.678 120.200 -0.093 0.000 1.996 163 E HA 0.236 4.591 4.350 0.008 0.000 0.280 163 E C -0.269 176.316 176.600 -0.025 0.000 1.092 163 E CA -0.258 56.110 56.400 -0.053 0.000 0.862 163 E CB 0.177 29.870 29.700 -0.012 0.000 1.066 163 E HN 0.298 nan 8.360 nan 0.000 0.396 164 I N 3.262 123.817 120.570 -0.024 0.000 2.362 164 I HA 0.205 4.380 4.170 0.008 0.000 0.289 164 I C 0.780 176.936 176.117 0.064 0.000 0.994 164 I CA -0.412 60.928 61.300 0.068 0.000 1.158 164 I CB 1.164 39.210 38.000 0.076 0.000 1.315 164 I HN 0.278 nan 8.210 nan 0.000 0.451 165 N N 4.139 122.916 118.700 0.129 0.000 2.143 165 N HA -0.024 4.721 4.740 0.008 0.000 0.222 165 N C 1.230 176.801 175.510 0.102 0.000 1.264 165 N CA -0.030 53.064 53.050 0.074 0.000 0.897 165 N CB 0.409 38.924 38.487 0.048 0.000 1.092 165 N HN 0.637 nan 8.380 nan 0.000 0.516 166 H N 0.170 119.240 119.070 -0.001 0.000 2.551 166 H HA 0.528 5.089 4.556 0.008 0.000 0.266 166 H C 0.078 175.405 175.328 -0.002 0.000 0.964 166 H CA 0.135 56.182 56.048 -0.001 0.000 1.180 166 H CB 0.494 30.256 29.762 0.000 0.000 1.408 166 H HN 0.072 nan 8.280 nan 0.000 0.563 167 A N 1.198 123.696 122.820 -0.536 0.000 2.597 167 A HA 0.450 4.774 4.320 0.008 0.000 0.292 167 A C -2.975 174.475 177.584 -0.223 0.000 1.057 167 A CA -1.350 50.409 52.037 -0.463 0.000 0.674 167 A CB 1.155 19.706 19.000 -0.748 0.000 1.278 167 A HN 0.065 nan 8.150 nan 0.000 0.416 168 P HA 0.294 nan 4.420 nan 0.000 0.267 168 P C -0.566 176.736 177.300 0.002 0.000 1.205 168 P CA 0.015 63.096 63.100 -0.031 0.000 0.765 168 P CB 0.586 32.288 31.700 0.003 0.000 0.828 169 L N 5.420 126.637 121.223 -0.011 0.000 2.319 169 L HA 0.304 4.649 4.340 0.008 0.000 0.280 169 L C -0.479 176.440 176.870 0.082 0.000 1.099 169 L CA 0.052 54.893 54.840 0.001 0.000 0.828 169 L CB -0.191 41.785 42.059 -0.140 0.000 1.150 169 L HN 0.187 nan 8.230 nan 0.000 0.442 170 I N 5.173 125.763 120.570 0.033 0.000 2.465 170 I HA 0.673 4.848 4.170 0.008 0.000 0.291 170 I C -0.183 175.788 176.117 -0.244 0.000 1.014 170 I CA -0.841 60.434 61.300 -0.041 0.000 1.093 170 I CB 1.202 39.162 38.000 -0.066 0.000 1.267 170 I HN 0.735 nan 8.210 nan 0.000 0.431 171 A N 3.941 126.557 122.820 -0.340 0.000 2.359 171 A HA 0.498 4.822 4.320 0.008 0.000 0.303 171 A C -0.806 176.311 177.584 -0.778 0.000 1.066 171 A CA -0.587 51.110 52.037 -0.566 0.000 0.730 171 A CB 1.089 19.718 19.000 -0.618 0.000 1.211 171 A HN 0.640 nan 8.150 nan 0.000 0.439 172 D N 3.269 123.163 120.400 -0.844 0.000 2.383 172 D HA 0.258 4.903 4.640 0.008 0.000 0.245 172 D C 0.374 176.374 176.300 -0.501 0.000 1.263 172 D CA 0.197 53.641 54.000 -0.927 0.000 0.936 172 D CB 0.204 40.805 40.800 -0.331 0.000 1.053 172 D HN 0.458 nan 8.370 nan 0.000 0.507 173 M N 2.277 121.575 119.600 -0.503 0.000 2.655 173 M HA 0.054 4.539 4.480 0.008 0.000 0.311 173 M C 1.599 177.760 176.300 -0.232 0.000 1.229 173 M CA -0.354 54.766 55.300 -0.300 0.000 0.972 173 M CB 0.409 32.812 32.600 -0.328 0.000 1.366 173 M HN 0.151 nan 8.290 nan 0.000 0.500 174 S N 1.253 116.798 115.700 -0.259 0.000 2.380 174 S HA -0.151 4.323 4.470 0.008 0.000 0.229 174 S C 1.762 176.227 174.600 -0.226 0.000 1.043 174 S CA 2.228 60.282 58.200 -0.242 0.000 1.038 174 S CB -0.166 62.853 63.200 -0.302 0.000 0.872 174 S HN 0.690 nan 8.310 nan 0.000 0.456 175 S N 0.589 116.201 115.700 -0.146 0.000 2.572 175 S HA 0.181 4.656 4.470 0.008 0.000 0.228 175 S C 0.298 174.918 174.600 0.033 0.000 0.963 175 S CA 0.171 58.314 58.200 -0.094 0.000 0.939 175 S CB 0.141 63.401 63.200 0.101 0.000 0.804 175 S HN 0.622 nan 8.310 nan 0.000 0.480 176 D N -0.296 120.104 120.400 0.000 0.000 2.523 176 D HA 0.166 4.811 4.640 0.008 0.000 0.269 176 D C -0.050 176.259 176.300 0.016 0.000 1.374 176 D CA -0.580 53.460 54.000 0.067 0.000 0.820 176 D CB -0.774 40.106 40.800 0.132 0.000 1.211 176 D HN 0.331 nan 8.370 nan 0.000 0.502 177 I N 1.825 122.359 120.570 -0.060 0.000 2.683 177 I HA 0.130 4.305 4.170 0.008 0.000 0.286 177 I C 0.836 176.932 176.117 -0.035 0.000 1.175 177 I CA -0.158 61.095 61.300 -0.079 0.000 1.429 177 I CB 0.307 38.231 38.000 -0.126 0.000 1.371 177 I HN 0.162 nan 8.210 nan 0.000 0.569 178 L N 5.618 126.827 121.223 -0.023 0.000 3.843 178 L HA -0.241 4.103 4.340 0.008 0.000 0.411 178 L C 1.251 178.144 176.870 0.038 0.000 1.205 178 L CA 1.639 56.480 54.840 0.002 0.000 0.945 178 L CB -2.237 39.820 42.059 -0.004 0.000 1.929 178 L HN 0.915 nan 8.230 nan 0.000 0.934 179 S N -1.296 114.438 115.700 0.057 0.000 2.556 179 S HA 0.383 4.857 4.470 0.008 0.000 0.216 179 S C 0.668 175.316 174.600 0.081 0.000 0.970 179 S CA 0.189 58.443 58.200 0.088 0.000 0.912 179 S CB 0.199 63.471 63.200 0.120 0.000 0.790 179 S HN 0.800 nan 8.310 nan 0.000 0.504 180 R N -1.212 119.329 120.500 0.068 0.000 2.728 180 R HA 0.520 4.865 4.340 0.008 0.000 0.274 180 R C -3.729 172.606 176.300 0.059 0.000 1.032 180 R CA -1.765 54.376 56.100 0.067 0.000 0.866 180 R CB -0.595 29.758 30.300 0.088 0.000 1.263 180 R HN -0.085 nan 8.270 nan 0.000 0.475 181 P HA 0.173 nan 4.420 nan 0.000 0.269 181 P C -1.168 176.182 177.300 0.083 0.000 1.215 181 P CA -0.397 62.732 63.100 0.049 0.000 0.780 181 P CB 0.466 32.192 31.700 0.043 0.000 0.898 182 L N 1.986 123.248 121.223 0.066 0.000 2.388 182 L HA 0.430 4.775 4.340 0.008 0.000 0.264 182 L C -0.538 176.380 176.870 0.079 0.000 0.998 182 L CA -0.538 54.362 54.840 0.100 0.000 0.817 182 L CB 2.138 44.209 42.059 0.019 0.000 1.338 182 L HN 0.148 nan 8.230 nan 0.000 0.414 183 K N 2.871 123.352 120.400 0.135 0.000 2.296 183 K HA 0.301 4.626 4.320 0.008 0.000 0.257 183 K C 0.584 177.233 176.600 0.082 0.000 1.088 183 K CA -0.286 56.048 56.287 0.078 0.000 0.980 183 K CB 1.207 33.753 32.500 0.077 0.000 1.430 183 K HN 0.477 nan 8.250 nan 0.000 0.441 184 V N 2.013 121.911 119.914 -0.026 0.000 2.626 184 V HA -0.234 3.891 4.120 0.008 0.000 0.252 184 V C 1.591 177.618 176.094 -0.111 0.000 1.067 184 V CA 1.386 63.617 62.300 -0.114 0.000 1.081 184 V CB -0.346 31.227 31.823 -0.417 0.000 0.686 184 V HN 0.710 nan 8.190 nan 0.000 0.468 185 N N 0.216 118.867 118.700 -0.082 0.000 2.430 185 N HA -0.169 4.576 4.740 0.008 0.000 0.186 185 N C 1.783 177.300 175.510 0.011 0.000 1.032 185 N CA 0.933 54.015 53.050 0.053 0.000 0.893 185 N CB -0.184 38.334 38.487 0.051 0.000 0.957 185 N HN 0.619 nan 8.380 nan 0.000 0.442 186 Q N -0.970 118.746 119.800 -0.140 0.000 2.436 186 Q HA 0.012 4.357 4.340 0.008 0.000 0.209 186 Q C -0.326 175.307 176.000 -0.612 0.000 0.965 186 Q CA 0.654 56.196 55.803 -0.437 0.000 0.910 186 Q CB 0.157 28.449 28.738 -0.744 0.000 0.980 186 Q HN 0.263 nan 8.270 nan 0.000 0.491 187 F N -2.089 117.831 119.950 -0.051 0.000 2.561 187 F HA 0.418 4.950 4.527 0.008 0.000 0.321 187 F C 1.168 177.012 175.800 0.072 0.000 1.065 187 F CA -0.904 57.059 58.000 -0.062 0.000 0.934 187 F CB 1.377 40.281 39.000 -0.161 0.000 1.215 187 F HN -0.219 nan 8.300 nan 0.000 0.471 188 G N 1.019 109.933 108.800 0.189 0.000 2.595 188 G HA2 0.157 4.122 3.960 0.008 0.000 0.213 188 G HA3 0.157 4.122 3.960 0.008 0.000 0.213 188 G C 0.061 175.019 174.900 0.097 0.000 1.141 188 G CA 0.289 45.452 45.100 0.105 0.000 0.806 188 G HN 0.437 nan 8.290 nan 0.000 0.530 189 M N 0.314 119.968 119.600 0.090 0.000 2.413 189 M HA 0.528 5.013 4.480 0.008 0.000 0.287 189 M C -2.241 174.023 176.300 -0.062 0.000 1.186 189 M CA -0.561 54.742 55.300 0.006 0.000 0.927 189 M CB 2.480 35.023 32.600 -0.094 0.000 1.715 189 M HN -0.098 nan 8.290 nan 0.000 0.478 190 I N 4.689 125.184 120.570 -0.125 0.000 2.545 190 I HA 0.525 4.700 4.170 0.008 0.000 0.292 190 I C -1.442 174.627 176.117 -0.081 0.000 1.040 190 I CA -0.664 60.469 61.300 -0.278 0.000 1.068 190 I CB 2.222 39.941 38.000 -0.468 0.000 1.251 190 I HN 0.677 nan 8.210 nan 0.000 0.424 191 Y N 4.030 124.217 120.300 -0.189 0.000 2.581 191 Y HA 0.956 5.510 4.550 0.008 0.000 0.345 191 Y C -0.963 174.862 175.900 -0.125 0.000 1.036 191 Y CA -1.382 56.646 58.100 -0.121 0.000 1.042 191 Y CB 1.826 40.249 38.460 -0.062 0.000 1.289 191 Y HN 0.598 nan 8.280 nan 0.000 0.471 192 A N 1.236 124.074 122.820 0.030 0.000 2.512 192 A HA 0.624 4.949 4.320 0.008 0.000 0.294 192 A C -0.308 177.245 177.584 -0.052 0.000 1.054 192 A CA -0.342 51.645 52.037 -0.083 0.000 0.756 192 A CB 0.535 19.449 19.000 -0.143 0.000 1.293 192 A HN 1.614 nan 8.150 nan 0.000 0.395 193 G N 0.583 109.325 108.800 -0.097 0.000 2.491 193 G HA2 0.528 4.493 3.960 0.008 0.000 0.238 193 G HA3 0.528 4.493 3.960 0.008 0.000 0.238 193 G C 1.087 175.912 174.900 -0.125 0.000 1.277 193 G CA 0.338 45.372 45.100 -0.110 0.000 0.851 193 G HN 1.895 nan 8.290 nan 0.000 0.573 194 A N 1.543 124.297 122.820 -0.110 0.000 2.067 194 A HA -0.051 4.274 4.320 0.008 0.000 0.219 194 A C 2.202 179.696 177.584 -0.149 0.000 1.158 194 A CA 1.506 53.468 52.037 -0.125 0.000 0.661 194 A CB -0.156 18.767 19.000 -0.128 0.000 0.801 194 A HN 0.739 nan 8.150 nan 0.000 0.452 195 Q N -0.086 119.627 119.800 -0.146 0.000 2.515 195 Q HA -0.009 4.336 4.340 0.008 0.000 0.214 195 Q C 0.790 176.675 176.000 -0.192 0.000 0.971 195 Q CA 1.117 56.841 55.803 -0.132 0.000 0.952 195 Q CB -0.127 28.557 28.738 -0.089 0.000 0.999 195 Q HN 0.687 nan 8.270 nan 0.000 0.524 196 K N -0.291 119.919 120.400 -0.316 0.000 2.325 196 K HA 0.147 4.472 4.320 0.008 0.000 0.203 196 K C 1.090 177.387 176.600 -0.506 0.000 1.128 196 K CA 0.494 56.393 56.287 -0.646 0.000 0.931 196 K CB 0.465 32.350 32.500 -1.024 0.000 1.125 196 K HN 0.018 nan 8.250 nan 0.000 0.487 197 N N -0.186 118.327 118.700 -0.312 0.000 2.210 197 N HA 0.234 4.979 4.740 0.008 0.000 0.203 197 N C 0.735 176.202 175.510 -0.071 0.000 1.175 197 N CA 0.256 53.228 53.050 -0.130 0.000 0.894 197 N CB 0.977 39.410 38.487 -0.090 0.000 1.041 197 N HN -0.001 nan 8.380 nan 0.000 0.506 198 L N -1.667 119.490 121.223 -0.109 0.000 2.878 198 L HA 0.522 4.867 4.340 0.008 0.000 0.253 198 L C 0.763 177.562 176.870 -0.119 0.000 1.135 198 L CA -0.049 54.738 54.840 -0.089 0.000 0.943 198 L CB 0.908 42.912 42.059 -0.092 0.000 1.307 198 L HN 0.061 nan 8.230 nan 0.000 0.545 199 G N -0.060 108.660 108.800 -0.132 0.000 2.333 199 G HA2 0.206 4.171 3.960 0.008 0.000 0.288 199 G HA3 0.206 4.171 3.960 0.008 0.000 0.288 199 G C -3.224 171.604 174.900 -0.119 0.000 1.286 199 G CA -0.558 44.453 45.100 -0.147 0.000 0.865 199 G HN -0.312 nan 8.290 nan 0.000 0.506 200 P HA 0.482 nan 4.420 nan 0.000 0.281 200 P C 0.124 177.392 177.300 -0.054 0.000 1.281 200 P CA -0.256 62.812 63.100 -0.053 0.000 0.811 200 P CB 1.656 33.354 31.700 -0.003 0.000 1.154 201 S N -1.369 114.312 115.700 -0.031 0.000 2.584 201 S HA 0.453 4.928 4.470 0.008 0.000 0.270 201 S C 1.191 175.776 174.600 -0.024 0.000 1.346 201 S CA 1.041 59.220 58.200 -0.035 0.000 1.018 201 S CB -0.988 62.200 63.200 -0.021 0.000 0.899 201 S HN 0.880 nan 8.310 nan 0.000 0.542 202 G N 1.134 109.914 108.800 -0.033 0.000 2.380 202 G HA2 -0.124 3.841 3.960 0.008 0.000 0.197 202 G HA3 -0.124 3.841 3.960 0.008 0.000 0.197 202 G C -0.109 174.772 174.900 -0.032 0.000 1.001 202 G CA 0.035 45.122 45.100 -0.022 0.000 0.668 202 G HN 1.299 nan 8.290 nan 0.000 0.483 203 V N 1.469 121.351 119.914 -0.053 0.000 2.735 203 V HA 0.842 4.967 4.120 0.008 0.000 0.310 203 V C -0.669 175.398 176.094 -0.044 0.000 1.061 203 V CA 0.266 62.535 62.300 -0.052 0.000 0.913 203 V CB 2.279 34.034 31.823 -0.113 0.000 1.005 203 V HN 0.353 nan 8.190 nan 0.000 0.428 204 T N 5.198 119.752 114.554 -0.001 0.000 2.792 204 T HA 0.540 4.895 4.350 0.008 0.000 0.280 204 T C -0.628 174.132 174.700 0.100 0.000 0.990 204 T CA -0.294 61.816 62.100 0.017 0.000 0.960 204 T CB 1.482 70.345 68.868 -0.009 0.000 0.939 204 T HN 0.510 nan 8.240 nan 0.000 0.439 205 V N 4.171 124.145 119.914 0.099 0.000 2.432 205 V HA 0.453 4.578 4.120 0.008 0.000 0.275 205 V C -0.167 175.979 176.094 0.088 0.000 1.043 205 V CA -0.505 61.890 62.300 0.159 0.000 0.925 205 V CB 1.433 33.338 31.823 0.136 0.000 0.985 205 V HN 0.695 nan 8.190 nan 0.000 0.466 206 V N 6.818 126.766 119.914 0.056 0.000 2.443 206 V HA 0.502 4.627 4.120 0.008 0.000 0.293 206 V C -0.343 175.732 176.094 -0.032 0.000 1.021 206 V CA -0.393 61.924 62.300 0.028 0.000 0.848 206 V CB 1.740 33.587 31.823 0.041 0.000 0.998 206 V HN 0.680 nan 8.190 nan 0.000 0.424 207 I N 5.266 125.813 120.570 -0.039 0.000 2.330 207 I HA 0.600 4.775 4.170 0.008 0.000 0.289 207 I C -0.543 175.592 176.117 0.029 0.000 1.001 207 I CA -0.656 60.629 61.300 -0.025 0.000 1.193 207 I CB 1.846 39.804 38.000 -0.070 0.000 1.345 207 I HN 0.403 nan 8.210 nan 0.000 0.461 208 V N 6.785 126.732 119.914 0.055 0.000 2.709 208 V HA 0.376 4.501 4.120 0.008 0.000 0.308 208 V C -0.380 175.665 176.094 -0.081 0.000 1.062 208 V CA -0.869 61.415 62.300 -0.027 0.000 0.901 208 V CB 2.134 33.843 31.823 -0.190 0.000 1.003 208 V HN 0.743 nan 8.190 nan 0.000 0.425 209 K N 5.552 125.804 120.400 -0.247 0.000 2.402 209 K HA 0.194 4.519 4.320 0.008 0.000 0.285 209 K C 1.175 177.573 176.600 -0.337 0.000 1.054 209 K CA 0.259 56.166 56.287 -0.633 0.000 1.001 209 K CB 0.605 32.767 32.500 -0.563 0.000 0.946 209 K HN 0.720 nan 8.250 nan 0.000 0.473 210 K N 2.488 122.712 120.400 -0.293 0.000 2.020 210 K HA -0.194 4.131 4.320 0.008 0.000 0.212 210 K C 1.163 177.689 176.600 -0.124 0.000 1.050 210 K CA 2.231 58.424 56.287 -0.156 0.000 0.929 210 K CB -0.057 32.373 32.500 -0.116 0.000 0.714 210 K HN 0.841 nan 8.250 nan 0.000 0.443 211 D N 0.737 121.056 120.400 -0.136 0.000 2.350 211 D HA -0.153 4.491 4.640 0.008 0.000 0.216 211 D C 1.859 178.110 176.300 -0.083 0.000 0.968 211 D CA 0.559 54.503 54.000 -0.092 0.000 0.894 211 D CB -0.237 40.512 40.800 -0.086 0.000 0.909 211 D HN 0.086 nan 8.370 nan 0.000 0.520 212 L N -1.193 119.965 121.223 -0.108 0.000 2.072 212 L HA 0.157 4.502 4.340 0.008 0.000 0.205 212 L C 0.508 177.344 176.870 -0.057 0.000 1.079 212 L CA 1.058 55.847 54.840 -0.084 0.000 0.752 212 L CB 0.036 42.029 42.059 -0.111 0.000 0.906 212 L HN 0.158 nan 8.230 nan 0.000 0.436 218 E N 1.782 121.978 120.200 -0.007 0.000 2.558 218 E HA 0.324 4.679 4.350 0.008 0.000 0.255 218 E C 0.730 177.324 176.600 -0.009 0.000 0.968 218 E CA 0.956 57.351 56.400 -0.009 0.000 0.939 218 E CB 0.464 30.162 29.700 -0.004 0.000 0.921 218 E HN 1.146 nan 8.360 nan 0.000 0.477 219 Q N -0.917 118.874 119.800 -0.014 0.000 2.376 219 Q HA -0.144 4.200 4.340 0.008 0.000 0.187 219 Q C -0.264 175.726 176.000 -0.017 0.000 0.603 219 Q CA 0.784 56.579 55.803 -0.012 0.000 1.346 219 Q CB -1.611 27.124 28.738 -0.005 0.000 1.243 219 Q HN 0.621 nan 8.270 nan 0.000 0.930 220 V N 1.897 121.795 119.914 -0.026 0.000 2.509 220 V HA 0.324 4.449 4.120 0.008 0.000 0.284 220 V C -1.908 174.155 176.094 -0.052 0.000 1.047 220 V CA -1.261 61.017 62.300 -0.037 0.000 0.952 220 V CB 1.184 32.981 31.823 -0.043 0.000 0.988 220 V HN 0.007 nan 8.190 nan 0.000 0.469 221 P HA 0.026 nan 4.420 nan 0.000 0.264 221 P C 1.109 178.355 177.300 -0.090 0.000 1.179 221 P CA 0.396 63.465 63.100 -0.052 0.000 0.763 221 P CB 0.354 32.033 31.700 -0.036 0.000 0.806 222 T N 1.921 116.412 114.554 -0.105 0.000 2.653 222 T HA -0.200 4.155 4.350 0.008 0.000 0.268 222 T C 1.687 176.214 174.700 -0.287 0.000 1.035 222 T CA 1.409 63.383 62.100 -0.209 0.000 1.154 222 T CB -0.409 68.342 68.868 -0.195 0.000 0.862 222 T HN 0.379 nan 8.240 nan 0.000 0.441 223 M N 0.388 119.899 119.600 -0.148 0.000 2.460 223 M HA 0.152 4.637 4.480 0.008 0.000 0.263 223 M C 1.600 177.922 176.300 0.036 0.000 1.071 223 M CA 1.035 56.305 55.300 -0.049 0.000 1.096 223 M CB -0.864 31.781 32.600 0.075 0.000 1.408 223 M HN 0.273 nan 8.290 nan 0.000 0.463 224 L N -0.925 120.255 121.223 -0.072 0.000 2.667 224 L HA 0.112 4.457 4.340 0.008 0.000 0.232 224 L C 0.329 177.068 176.870 -0.218 0.000 1.138 224 L CA -0.120 54.645 54.840 -0.124 0.000 0.921 224 L CB 0.055 42.052 42.059 -0.104 0.000 1.180 224 L HN 0.188 nan 8.230 nan 0.000 0.487 225 Q N -0.909 118.772 119.800 -0.198 0.000 2.274 225 Q HA 0.130 4.475 4.340 0.008 0.000 0.256 225 Q C 0.112 176.025 176.000 -0.145 0.000 0.927 225 Q CA -0.312 55.377 55.803 -0.190 0.000 0.939 225 Q CB 1.028 29.673 28.738 -0.155 0.000 1.201 225 Q HN 0.176 nan 8.270 nan 0.000 0.426 226 Y N 1.174 121.493 120.300 0.031 0.000 2.256 226 Y HA -0.291 4.264 4.550 0.008 0.000 0.288 226 Y C 2.234 178.146 175.900 0.021 0.000 1.155 226 Y CA 1.094 59.234 58.100 0.066 0.000 1.203 226 Y CB -0.000 38.470 38.460 0.017 0.000 0.980 226 Y HN 0.811 nan 8.280 nan 0.000 0.530 227 A N -0.375 122.504 122.820 0.097 0.000 1.972 227 A HA -0.205 4.120 4.320 0.008 0.000 0.219 227 A C 2.240 179.782 177.584 -0.071 0.000 1.169 227 A CA 2.144 54.191 52.037 0.016 0.000 0.635 227 A CB -1.143 17.849 19.000 -0.013 0.000 0.810 227 A HN 0.405 nan 8.150 nan 0.000 0.446 228 T N -0.607 113.821 114.554 -0.209 0.000 2.684 228 T HA -0.155 4.200 4.350 0.008 0.000 0.267 228 T C 1.791 176.297 174.700 -0.323 0.000 1.036 228 T CA 1.689 63.533 62.100 -0.425 0.000 1.148 228 T CB -0.456 67.917 68.868 -0.825 0.000 0.863 228 T HN 0.667 nan 8.240 nan 0.000 0.436 229 H N 0.136 119.188 119.070 -0.031 0.000 2.436 229 H HA 0.197 4.758 4.556 0.008 0.000 0.294 229 H C 2.394 177.758 175.328 0.060 0.000 1.048 229 H CA 0.735 56.813 56.048 0.051 0.000 1.353 229 H CB -0.279 29.524 29.762 0.069 0.000 1.414 229 H HN 0.339 nan 8.280 nan 0.000 0.536 230 I N 1.130 121.788 120.570 0.146 0.000 2.179 230 I HA -0.274 3.901 4.170 0.008 0.000 0.242 230 I C 2.666 178.818 176.117 0.058 0.000 1.088 230 I CA 1.447 62.797 61.300 0.085 0.000 1.357 230 I CB -0.127 37.908 38.000 0.059 0.000 1.051 230 I HN 0.115 nan 8.210 nan 0.000 0.409 231 K N 0.840 121.261 120.400 0.034 0.000 2.097 231 K HA -0.103 4.222 4.320 0.008 0.000 0.206 231 K C 1.634 178.267 176.600 0.055 0.000 1.049 231 K CA 1.789 58.092 56.287 0.027 0.000 0.933 231 K CB 0.002 32.501 32.500 -0.001 0.000 0.717 231 K HN 0.131 nan 8.250 nan 0.000 0.442 232 S N 0.779 116.530 115.700 0.085 0.000 2.577 232 S HA 0.022 4.497 4.470 0.008 0.000 0.219 232 S C -0.438 174.250 174.600 0.146 0.000 0.962 232 S CA 0.290 58.568 58.200 0.130 0.000 0.921 232 S CB 0.045 63.371 63.200 0.211 0.000 0.789 232 S HN 0.513 nan 8.310 nan 0.000 0.497 233 D N 1.694 122.175 120.400 0.136 0.000 2.723 233 D HA -0.186 4.459 4.640 0.008 0.000 0.236 233 D C -0.022 176.441 176.300 0.271 0.000 1.138 233 D CA 0.815 54.909 54.000 0.156 0.000 0.676 233 D CB -2.012 38.871 40.800 0.138 0.000 1.069 233 D HN 0.287 nan 8.370 nan 0.000 0.430 234 S N -2.102 113.768 115.700 0.284 0.000 3.635 234 S HA -0.254 4.221 4.470 0.008 0.000 0.328 234 S C 0.926 175.742 174.600 0.360 0.000 1.135 234 S CA 0.908 59.329 58.200 0.367 0.000 0.942 234 S CB -1.437 61.972 63.200 0.350 0.000 0.930 234 S HN 0.601 nan 8.310 nan 0.000 0.512 235 L N -0.726 120.655 121.223 0.263 0.000 3.267 235 L HA 0.308 4.653 4.340 0.008 0.000 0.289 235 L C 1.406 178.400 176.870 0.206 0.000 1.260 235 L CA -0.251 54.702 54.840 0.187 0.000 1.034 235 L CB -0.027 42.080 42.059 0.080 0.000 1.413 235 L HN 0.393 nan 8.230 nan 0.000 0.594 236 Y N 2.090 122.473 120.300 0.139 0.000 2.114 236 Y HA -0.156 4.399 4.550 0.008 0.000 0.284 236 Y C 1.463 177.413 175.900 0.084 0.000 1.143 236 Y CA 1.506 59.651 58.100 0.074 0.000 1.135 236 Y CB 0.258 38.712 38.460 -0.010 0.000 0.980 236 Y HN 0.477 nan 8.280 nan 0.000 0.499 237 N N -1.321 117.381 118.700 0.004 0.000 3.002 237 N HA 0.143 4.888 4.740 0.008 0.000 0.331 237 N C -1.006 174.419 175.510 -0.142 0.000 1.384 237 N CA -0.242 52.733 53.050 -0.125 0.000 0.780 237 N CB 0.396 38.848 38.487 -0.058 0.000 1.492 237 N HN -0.060 nan 8.380 nan 0.000 0.608 238 T N 2.389 116.746 114.554 -0.328 0.000 2.799 238 T HA 0.262 4.617 4.350 0.008 0.000 0.296 238 T C -2.069 172.469 174.700 -0.269 0.000 0.947 238 T CA -0.437 61.280 62.100 -0.639 0.000 1.141 238 T CB 0.458 68.973 68.868 -0.587 0.000 0.891 238 T HN 0.467 nan 8.240 nan 0.000 0.533 239 P HA 0.306 nan 4.420 nan 0.000 0.276 239 P C -2.767 174.496 177.300 -0.062 0.000 1.261 239 P CA -2.152 60.949 63.100 0.001 0.000 0.800 239 P CB -0.138 31.683 31.700 0.202 0.000 1.066 240 P HA 0.044 nan 4.420 nan 0.000 0.260 240 P C 1.045 178.350 177.300 0.008 0.000 1.651 240 P CA 0.093 63.188 63.100 -0.009 0.000 1.139 240 P CB -0.573 31.130 31.700 0.004 0.000 1.756 241 T N -0.555 113.958 114.554 -0.068 0.000 2.821 241 T HA -0.192 4.163 4.350 0.008 0.000 0.267 241 T C 1.437 176.200 174.700 0.106 0.000 1.046 241 T CA 0.749 62.795 62.100 -0.091 0.000 1.139 241 T CB -1.029 67.585 68.868 -0.423 0.000 0.871 241 T HN 0.122 nan 8.240 nan 0.000 0.454 242 F N 2.164 122.093 119.950 -0.034 0.000 2.206 242 F HA 0.092 4.623 4.527 0.007 0.000 0.298 242 F C 2.497 178.342 175.800 0.074 0.000 1.090 242 F CA 0.858 58.872 58.000 0.024 0.000 1.323 242 F CB -0.389 38.596 39.000 -0.025 0.000 1.028 242 F HN 0.110 nan 8.300 nan 0.000 0.492 243 S N 0.613 116.336 115.700 0.038 0.000 2.383 243 S HA -0.121 4.353 4.470 0.008 0.000 0.227 243 S C 2.090 176.566 174.600 -0.208 0.000 1.026 243 S CA 1.472 59.617 58.200 -0.091 0.000 0.981 243 S CB -0.390 62.787 63.200 -0.038 0.000 0.818 243 S HN 0.385 nan 8.310 nan 0.000 0.472 244 I N 0.143 120.620 120.570 -0.155 0.000 2.353 244 I HA -0.146 4.029 4.170 0.008 0.000 0.248 244 I C 2.214 178.203 176.117 -0.212 0.000 1.119 244 I CA 1.040 62.175 61.300 -0.274 0.000 1.417 244 I CB -0.339 37.566 38.000 -0.160 0.000 1.078 244 I HN 0.295 nan 8.210 nan 0.000 0.421 245 Y N 1.308 121.468 120.300 -0.234 0.000 2.128 245 Y HA -0.296 4.258 4.550 0.008 0.000 0.284 245 Y C 2.521 178.204 175.900 -0.362 0.000 1.154 245 Y CA 1.766 59.694 58.100 -0.288 0.000 1.149 245 Y CB -0.100 38.148 38.460 -0.354 0.000 0.976 245 Y HN 0.005 nan 8.280 nan 0.000 0.505 246 M N -0.492 118.734 119.600 -0.623 0.000 2.175 246 M HA -0.108 4.377 4.480 0.008 0.000 0.264 246 M C 2.245 178.288 176.300 -0.428 0.000 1.063 246 M CA 1.129 56.055 55.300 -0.624 0.000 1.119 246 M CB -1.296 31.007 32.600 -0.496 0.000 1.377 246 M HN 0.528 nan 8.290 nan 0.000 0.415 247 L N 0.654 121.662 121.223 -0.358 0.000 2.012 247 L HA -0.189 4.156 4.340 0.008 0.000 0.210 247 L C 2.635 179.354 176.870 -0.251 0.000 1.073 247 L CA 1.933 56.599 54.840 -0.289 0.000 0.748 247 L CB -0.745 41.101 42.059 -0.355 0.000 0.891 247 L HN 0.186 nan 8.230 nan 0.000 0.431 248 R N 0.035 120.363 120.500 -0.285 0.000 2.080 248 R HA -0.209 4.136 4.340 0.008 0.000 0.236 248 R C 2.060 178.242 176.300 -0.198 0.000 1.137 248 R CA 2.083 58.059 56.100 -0.207 0.000 0.943 248 R CB -0.859 29.320 30.300 -0.201 0.000 0.846 248 R HN 0.500 nan 8.270 nan 0.000 0.431 249 N N 0.140 118.637 118.700 -0.337 0.000 2.104 249 N HA -0.138 4.607 4.740 0.008 0.000 0.190 249 N C 1.831 177.274 175.510 -0.111 0.000 1.024 249 N CA 1.443 54.337 53.050 -0.260 0.000 0.853 249 N CB -0.443 37.804 38.487 -0.400 0.000 1.008 249 N HN 0.040 nan 8.380 nan 0.000 0.424 250 V N 1.151 120.987 119.914 -0.129 0.000 2.358 250 V HA -0.148 3.977 4.120 0.008 0.000 0.246 250 V C 2.262 178.419 176.094 0.106 0.000 1.047 250 V CA 1.144 63.428 62.300 -0.025 0.000 1.035 250 V CB -0.535 31.236 31.823 -0.087 0.000 0.658 250 V HN 0.254 nan 8.190 nan 0.000 0.452 251 L N -0.357 120.877 121.223 0.018 0.000 2.083 251 L HA -0.194 4.151 4.340 0.008 0.000 0.209 251 L C 2.391 179.293 176.870 0.052 0.000 1.083 251 L CA 1.544 56.406 54.840 0.037 0.000 0.752 251 L CB -0.739 41.316 42.059 -0.007 0.000 0.899 251 L HN 0.325 nan 8.230 nan 0.000 0.433 252 D N -0.776 119.649 120.400 0.042 0.000 2.144 252 D HA -0.237 4.408 4.640 0.008 0.000 0.199 252 D C 1.770 178.125 176.300 0.092 0.000 0.984 252 D CA 1.088 55.115 54.000 0.045 0.000 0.834 252 D CB -0.108 40.710 40.800 0.029 0.000 0.955 252 D HN 0.431 nan 8.370 nan 0.000 0.465 253 W N 1.441 122.710 121.300 -0.052 0.000 2.381 253 W HA -0.077 4.587 4.660 0.007 0.000 0.301 253 W C 2.091 178.593 176.519 -0.028 0.000 1.205 253 W CA 1.012 58.334 57.345 -0.038 0.000 1.285 253 W CB -0.396 29.038 29.460 -0.043 0.000 1.133 253 W HN -0.134 nan 8.180 nan 0.000 0.521 254 I N 0.843 121.440 120.570 0.046 0.000 2.226 254 I HA -0.318 3.857 4.170 0.008 0.000 0.245 254 I C 2.544 178.545 176.117 -0.194 0.000 1.100 254 I CA 1.837 63.029 61.300 -0.180 0.000 1.374 254 I CB -0.746 37.273 38.000 0.031 0.000 1.057 254 I HN -0.022 nan 8.210 nan 0.000 0.413 255 K N 1.045 121.388 120.400 -0.094 0.000 2.057 255 K HA -0.229 4.096 4.320 0.008 0.000 0.207 255 K C 1.625 178.153 176.600 -0.119 0.000 1.049 255 K CA 1.945 58.182 56.287 -0.083 0.000 0.931 255 K CB -0.039 32.437 32.500 -0.040 0.000 0.714 255 K HN 0.175 nan 8.250 nan 0.000 0.440 256 D N 0.818 121.134 120.400 -0.139 0.000 2.218 256 D HA -0.133 4.512 4.640 0.008 0.000 0.204 256 D C 1.683 177.857 176.300 -0.210 0.000 0.976 256 D CA 1.049 54.963 54.000 -0.144 0.000 0.853 256 D CB -0.014 40.716 40.800 -0.116 0.000 0.939 256 D HN 0.378 nan 8.370 nan 0.000 0.481 257 L N -3.825 117.194 121.223 -0.340 0.000 2.591 257 L HA 0.471 4.816 4.340 0.008 0.000 0.228 257 L C 1.377 178.117 176.870 -0.217 0.000 1.133 257 L CA 0.802 55.438 54.840 -0.340 0.000 0.880 257 L CB 0.190 41.915 42.059 -0.557 0.000 1.033 257 L HN 0.021 nan 8.230 nan 0.000 0.450 258 G N -2.275 106.422 108.800 -0.172 0.000 2.227 258 G HA2 0.291 4.256 3.960 0.008 0.000 0.168 258 G HA3 0.291 4.256 3.960 0.008 0.000 0.168 258 G C 0.692 175.535 174.900 -0.095 0.000 1.006 258 G CA -0.374 44.659 45.100 -0.111 0.000 0.684 258 G HN 1.249 nan 8.290 nan 0.000 0.489 259 G N -0.600 108.134 108.800 -0.111 0.000 2.660 259 G HA2 0.303 4.268 3.960 0.008 0.000 0.215 259 G HA3 0.303 4.268 3.960 0.008 0.000 0.215 259 G C 1.181 176.046 174.900 -0.058 0.000 1.345 259 G CA 1.257 46.313 45.100 -0.074 0.000 0.877 259 G HN 1.813 nan 8.290 nan 0.000 0.549 260 A N -0.955 121.846 122.820 -0.031 0.000 1.930 260 A HA 0.139 4.464 4.320 0.008 0.000 0.217 260 A C 2.086 179.667 177.584 -0.005 0.000 1.175 260 A CA 2.385 54.416 52.037 -0.011 0.000 0.627 260 A CB -0.452 18.548 19.000 -0.001 0.000 0.815 260 A HN 0.816 nan 8.150 nan 0.000 0.443 261 E N -0.246 119.948 120.200 -0.011 0.000 2.107 261 E HA -0.002 4.353 4.350 0.008 0.000 0.191 261 E C 2.253 178.845 176.600 -0.013 0.000 0.982 261 E CA 0.905 57.302 56.400 -0.004 0.000 0.809 261 E CB -0.242 29.455 29.700 -0.005 0.000 0.756 261 E HN 0.610 nan 8.360 nan 0.000 0.459 262 A N 0.832 123.631 122.820 -0.035 0.000 1.898 262 A HA -0.148 4.177 4.320 0.008 0.000 0.216 262 A C 2.175 179.729 177.584 -0.049 0.000 1.181 262 A CA 0.941 52.948 52.037 -0.051 0.000 0.620 262 A CB -0.430 18.518 19.000 -0.086 0.000 0.819 262 A HN 0.237 nan 8.150 nan 0.000 0.442 263 I N -0.382 120.155 120.570 -0.054 0.000 2.394 263 I HA -0.150 4.024 4.170 0.008 0.000 0.251 263 I C 2.589 178.720 176.117 0.024 0.000 1.136 263 I CA 1.155 62.440 61.300 -0.026 0.000 1.425 263 I CB -0.086 37.907 38.000 -0.012 0.000 1.079 263 I HN 0.302 nan 8.210 nan 0.000 0.425 264 A N 0.081 122.917 122.820 0.026 0.000 1.902 264 A HA -0.230 4.095 4.320 0.008 0.000 0.217 264 A C 2.323 179.932 177.584 0.042 0.000 1.181 264 A CA 1.649 53.714 52.037 0.045 0.000 0.623 264 A CB -0.508 18.518 19.000 0.044 0.000 0.818 264 A HN 0.377 nan 8.150 nan 0.000 0.443 265 K N -0.783 119.632 120.400 0.024 0.000 2.063 265 K HA -0.236 4.089 4.320 0.008 0.000 0.208 265 K C 2.393 179.013 176.600 0.034 0.000 1.048 265 K CA 1.781 58.082 56.287 0.024 0.000 0.928 265 K CB -0.164 32.342 32.500 0.009 0.000 0.713 265 K HN 0.702 nan 8.250 nan 0.000 0.442 266 Q N 0.856 120.675 119.800 0.031 0.000 2.079 266 Q HA -0.157 4.188 4.340 0.008 0.000 0.200 266 Q C 1.646 177.687 176.000 0.069 0.000 0.974 266 Q CA 1.474 57.305 55.803 0.047 0.000 0.840 266 Q CB 0.108 28.875 28.738 0.048 0.000 0.898 266 Q HN 0.223 nan 8.270 nan 0.000 0.430 267 N N 0.549 119.296 118.700 0.079 0.000 2.188 267 N HA -0.138 4.607 4.740 0.008 0.000 0.184 267 N C 1.339 176.907 175.510 0.097 0.000 1.018 267 N CA 1.416 54.525 53.050 0.098 0.000 0.858 267 N CB -0.084 38.469 38.487 0.110 0.000 0.989 267 N HN 0.397 nan 8.380 nan 0.000 0.426 268 E N 0.312 120.562 120.200 0.083 0.000 2.150 268 E HA -0.176 4.179 4.350 0.008 0.000 0.193 268 E C 1.578 178.227 176.600 0.082 0.000 0.985 268 E CA 0.718 57.170 56.400 0.086 0.000 0.814 268 E CB 0.063 29.802 29.700 0.066 0.000 0.752 268 E HN 0.303 nan 8.360 nan 0.000 0.466 269 E N 1.674 121.915 120.200 0.067 0.000 2.072 269 E HA -0.172 4.183 4.350 0.008 0.000 0.191 269 E C 1.597 178.236 176.600 0.065 0.000 0.985 269 E CA 1.410 57.846 56.400 0.060 0.000 0.801 269 E CB 0.074 29.803 29.700 0.049 0.000 0.750 269 E HN 0.040 nan 8.360 nan 0.000 0.452 270 K N 0.025 120.469 120.400 0.072 0.000 2.009 270 K HA -0.101 4.224 4.320 0.008 0.000 0.210 270 K C 2.172 178.808 176.600 0.059 0.000 1.049 270 K CA 1.594 57.924 56.287 0.072 0.000 0.929 270 K CB -0.360 32.191 32.500 0.085 0.000 0.714 270 K HN 0.221 nan 8.250 nan 0.000 0.440 271 A N 1.546 124.418 122.820 0.086 0.000 1.902 271 A HA -0.228 4.096 4.320 0.008 0.000 0.217 271 A C 2.048 179.719 177.584 0.145 0.000 1.181 271 A CA 1.822 53.919 52.037 0.100 0.000 0.623 271 A CB -0.448 18.698 19.000 0.243 0.000 0.818 271 A HN 0.290 nan 8.150 nan 0.000 0.443 272 K N -0.082 120.406 120.400 0.148 0.000 2.063 272 K HA -0.152 4.173 4.320 0.008 0.000 0.208 272 K C 1.772 178.413 176.600 0.069 0.000 1.048 272 K CA 1.812 58.176 56.287 0.129 0.000 0.928 272 K CB -0.396 32.154 32.500 0.083 0.000 0.713 272 K HN 0.488 nan 8.250 nan 0.000 0.442 273 I N 1.011 121.600 120.570 0.031 0.000 2.163 273 I HA -0.317 3.858 4.170 0.008 0.000 0.243 273 I C 2.240 178.317 176.117 -0.067 0.000 1.085 273 I CA 1.413 62.708 61.300 -0.008 0.000 1.347 273 I CB -0.214 37.786 38.000 0.001 0.000 1.044 273 I HN 0.226 nan 8.210 nan 0.000 0.408 274 I N -0.982 119.510 120.570 -0.130 0.000 2.333 274 I HA -0.241 3.934 4.170 0.008 0.000 0.246 274 I C 2.344 178.287 176.117 -0.289 0.000 1.106 274 I CA 1.363 62.492 61.300 -0.286 0.000 1.411 274 I CB -0.459 37.311 38.000 -0.384 0.000 1.082 274 I HN 0.138 nan 8.210 nan 0.000 0.420 275 Y N 1.184 121.429 120.300 -0.092 0.000 2.242 275 Y HA -0.229 4.327 4.550 0.009 0.000 0.291 275 Y C 2.346 178.205 175.900 -0.069 0.000 1.137 275 Y CA 0.940 58.995 58.100 -0.075 0.000 1.181 275 Y CB -0.238 38.205 38.460 -0.027 0.000 0.989 275 Y HN 0.155 nan 8.280 nan 0.000 0.527 276 D N -0.711 119.745 120.400 0.094 0.000 2.144 276 D HA -0.143 4.502 4.640 0.008 0.000 0.199 276 D C 2.072 178.373 176.300 0.001 0.000 0.984 276 D CA 1.704 55.730 54.000 0.043 0.000 0.834 276 D CB -0.450 40.367 40.800 0.028 0.000 0.955 276 D HN 0.258 nan 8.370 nan 0.000 0.465 277 T N 0.683 115.201 114.554 -0.059 0.000 2.777 277 T HA -0.050 4.305 4.350 0.008 0.000 0.266 277 T C 2.207 176.864 174.700 -0.071 0.000 1.040 277 T CA 0.502 62.545 62.100 -0.095 0.000 1.141 277 T CB -0.114 68.634 68.868 -0.200 0.000 0.868 277 T HN 0.153 nan 8.240 nan 0.000 0.444 278 I N 1.260 121.753 120.570 -0.128 0.000 2.179 278 I HA -0.162 4.013 4.170 0.008 0.000 0.242 278 I C 2.200 178.352 176.117 0.060 0.000 1.088 278 I CA 1.203 62.475 61.300 -0.046 0.000 1.357 278 I CB -0.285 37.657 38.000 -0.096 0.000 1.051 278 I HN 0.119 nan 8.210 nan 0.000 0.409 279 D N 0.559 120.992 120.400 0.054 0.000 2.219 279 D HA -0.140 4.505 4.640 0.008 0.000 0.205 279 D C 1.774 178.102 176.300 0.047 0.000 0.970 279 D CA 1.037 55.070 54.000 0.055 0.000 0.851 279 D CB -0.138 40.690 40.800 0.047 0.000 0.943 279 D HN 0.431 nan 8.370 nan 0.000 0.488 280 E N 0.015 120.241 120.200 0.043 0.000 2.489 280 E HA -0.005 4.350 4.350 0.008 0.000 0.193 280 E C 1.375 178.005 176.600 0.050 0.000 1.057 280 E CA -0.014 56.408 56.400 0.035 0.000 0.866 280 E CB 0.248 29.961 29.700 0.021 0.000 0.916 280 E HN 0.128 nan 8.360 nan 0.000 0.500 281 S N 0.013 115.767 115.700 0.089 0.000 2.593 281 S HA -0.015 4.460 4.470 0.008 0.000 0.217 281 S C 0.319 174.973 174.600 0.091 0.000 0.966 281 S CA -0.078 58.194 58.200 0.121 0.000 0.914 281 S CB -0.425 62.946 63.200 0.285 0.000 0.776 281 S HN 0.286 nan 8.310 nan 0.000 0.523 282 N N 0.986 119.725 118.700 0.065 0.000 2.740 282 N HA -0.164 4.581 4.740 0.008 0.000 0.248 282 N C 0.686 176.233 175.510 0.062 0.000 1.062 282 N CA 0.282 53.362 53.050 0.050 0.000 0.704 282 N CB -1.546 36.962 38.487 0.034 0.000 0.968 282 N HN 0.845 nan 8.380 nan 0.000 0.547 283 G N -1.245 107.595 108.800 0.067 0.000 2.179 283 G HA2 -0.406 3.559 3.960 0.008 0.000 0.260 283 G HA3 -0.406 3.559 3.960 0.008 0.000 0.260 283 G C 0.580 175.495 174.900 0.024 0.000 0.977 283 G CA 0.437 45.563 45.100 0.044 0.000 0.641 283 G HN 0.468 nan 8.290 nan 0.000 0.533 284 F N 0.693 120.566 119.950 -0.129 0.000 2.146 284 F HA 0.329 4.861 4.527 0.009 0.000 0.298 284 F C 1.135 176.679 175.800 -0.428 0.000 1.096 284 F CA 1.019 58.843 58.000 -0.294 0.000 1.275 284 F CB 0.091 38.842 39.000 -0.415 0.000 1.008 284 F HN 0.233 nan 8.300 nan 0.000 0.480 285 Y N -0.207 120.158 120.300 0.108 0.000 2.341 285 Y HA 0.533 5.088 4.550 0.008 0.000 0.337 285 Y C -0.582 175.328 175.900 0.016 0.000 1.014 285 Y CA -1.242 56.860 58.100 0.003 0.000 1.111 285 Y CB 1.535 39.931 38.460 -0.107 0.000 1.194 285 Y HN -0.463 nan 8.280 nan 0.000 0.462 286 V N 2.968 123.005 119.914 0.204 0.000 2.483 286 V HA 0.533 4.657 4.120 0.008 0.000 0.297 286 V C 0.323 176.548 176.094 0.217 0.000 1.027 286 V CA -0.975 61.417 62.300 0.153 0.000 0.855 286 V CB 1.558 33.434 31.823 0.088 0.000 0.995 286 V HN 0.976 nan 8.190 nan 0.000 0.424 287 G N 1.457 110.379 108.800 0.202 0.000 2.432 287 G HA2 0.192 4.156 3.960 0.008 0.000 0.257 287 G HA3 0.192 4.156 3.960 0.008 0.000 0.257 287 G C 0.704 175.740 174.900 0.226 0.000 1.238 287 G CA -0.069 45.188 45.100 0.262 0.000 0.838 287 G HN 0.901 nan 8.290 nan 0.000 0.547 288 H N 1.860 121.043 119.070 0.189 0.000 2.372 288 H HA 0.119 4.680 4.556 0.008 0.000 0.301 288 H C 1.485 176.907 175.328 0.156 0.000 1.065 288 H CA 0.991 57.135 56.048 0.160 0.000 1.364 288 H CB 0.144 30.008 29.762 0.170 0.000 1.406 288 H HN 0.509 nan 8.280 nan 0.000 0.521 289 A N 1.588 124.472 122.820 0.108 0.000 2.425 289 A HA 0.132 4.457 4.320 0.008 0.000 0.249 289 A C 0.062 177.624 177.584 -0.037 0.000 1.084 289 A CA -0.339 51.719 52.037 0.035 0.000 0.781 289 A CB 0.202 19.299 19.000 0.162 0.000 1.019 289 A HN 0.583 nan 8.150 nan 0.000 0.490 290 E N 1.038 121.196 120.200 -0.069 0.000 2.415 290 E HA 0.002 4.357 4.350 0.008 0.000 0.262 290 E C 0.670 177.226 176.600 -0.074 0.000 1.038 290 E CA -0.107 56.253 56.400 -0.066 0.000 0.921 290 E CB 0.642 30.302 29.700 -0.066 0.000 0.950 290 E HN 0.609 nan 8.360 nan 0.000 0.438 291 K N 1.918 122.264 120.400 -0.089 0.000 2.074 291 K HA -0.183 4.142 4.320 0.008 0.000 0.209 291 K C 1.917 178.434 176.600 -0.139 0.000 1.048 291 K CA 1.440 57.647 56.287 -0.134 0.000 0.926 291 K CB -0.305 32.129 32.500 -0.110 0.000 0.713 291 K HN 0.691 nan 8.250 nan 0.000 0.444 292 G N 0.341 109.078 108.800 -0.105 0.000 2.509 292 G HA2 -0.155 3.810 3.960 0.008 0.000 0.218 292 G HA3 -0.155 3.810 3.960 0.008 0.000 0.218 292 G C 1.174 176.015 174.900 -0.098 0.000 1.124 292 G CA 0.524 45.563 45.100 -0.103 0.000 0.776 292 G HN 0.182 nan 8.290 nan 0.000 0.547 293 S N -0.500 115.151 115.700 -0.082 0.000 2.629 293 S HA 0.260 4.735 4.470 0.008 0.000 0.236 293 S C 0.795 175.389 174.600 -0.009 0.000 1.010 293 S CA -0.664 57.507 58.200 -0.050 0.000 0.981 293 S CB 0.531 63.711 63.200 -0.033 0.000 0.919 293 S HN 0.306 nan 8.310 nan 0.000 0.514 294 R N 2.487 122.946 120.500 -0.069 0.000 2.502 294 R HA 0.120 4.465 4.340 0.008 0.000 0.292 294 R C 0.447 176.791 176.300 0.074 0.000 0.998 294 R CA 0.128 56.191 56.100 -0.062 0.000 1.056 294 R CB 0.322 30.326 30.300 -0.494 0.000 0.939 294 R HN 0.149 nan 8.270 nan 0.000 0.411 295 S N 2.697 118.532 115.700 0.226 0.000 2.572 295 S HA 0.067 4.542 4.470 0.008 0.000 0.279 295 S C 1.276 176.063 174.600 0.312 0.000 1.341 295 S CA -0.565 57.784 58.200 0.248 0.000 1.043 295 S CB 0.539 63.894 63.200 0.259 0.000 0.887 295 S HN 0.568 nan 8.310 nan 0.000 0.516 296 L N 4.046 125.414 121.223 0.241 0.000 2.591 296 L HA 0.102 4.447 4.340 0.008 0.000 0.228 296 L C 1.730 178.714 176.870 0.189 0.000 1.133 296 L CA 0.148 55.126 54.840 0.230 0.000 0.880 296 L CB -0.226 41.938 42.059 0.175 0.000 1.033 296 L HN 0.658 nan 8.230 nan 0.000 0.450 297 M N -1.014 118.703 119.600 0.195 0.000 2.740 297 M HA 0.162 4.647 4.480 0.008 0.000 0.253 297 M C -0.162 176.176 176.300 0.065 0.000 1.341 297 M CA 0.707 56.114 55.300 0.178 0.000 1.176 297 M CB -0.070 32.711 32.600 0.302 0.000 1.310 297 M HN 0.109 nan 8.290 nan 0.000 0.531 298 N N 0.333 119.107 118.700 0.124 0.000 2.491 298 N HA 0.376 5.121 4.740 0.008 0.000 0.274 298 N C -1.187 174.397 175.510 0.122 0.000 1.023 298 N CA -0.177 52.924 53.050 0.084 0.000 0.902 298 N CB 2.569 41.137 38.487 0.136 0.000 1.267 298 N HN -0.201 nan 8.380 nan 0.000 0.503 299 V N 1.805 121.756 119.914 0.061 0.000 2.348 299 V HA 0.405 4.530 4.120 0.008 0.000 0.270 299 V C 0.258 176.454 176.094 0.170 0.000 1.037 299 V CA -0.579 61.749 62.300 0.046 0.000 0.872 299 V CB 0.505 32.186 31.823 -0.237 0.000 1.002 299 V HN 0.749 nan 8.190 nan 0.000 0.464 300 T N 3.220 117.910 114.554 0.226 0.000 2.829 300 T HA 0.861 5.216 4.350 0.008 0.000 0.282 300 T C -0.723 174.161 174.700 0.306 0.000 0.990 300 T CA -0.521 61.681 62.100 0.170 0.000 1.028 300 T CB 1.323 70.260 68.868 0.115 0.000 0.951 300 T HN 0.665 nan 8.240 nan 0.000 0.460 301 F N 0.080 120.045 119.950 0.024 0.000 2.741 301 F HA 0.737 5.268 4.527 0.007 0.000 0.311 301 F C -1.592 174.204 175.800 -0.006 0.000 1.149 301 F CA -1.391 56.624 58.000 0.025 0.000 0.930 301 F CB 1.013 39.998 39.000 -0.025 0.000 1.312 301 F HN 0.786 nan 8.300 nan 0.000 0.450 302 N N 0.523 119.314 118.700 0.151 0.000 2.455 302 N HA 0.717 5.461 4.740 0.008 0.000 0.278 302 N C -1.928 173.624 175.510 0.070 0.000 1.291 302 N CA -0.861 52.196 53.050 0.011 0.000 0.780 302 N CB 2.025 40.503 38.487 -0.015 0.000 1.520 302 N HN 0.653 nan 8.380 nan 0.000 0.486 303 L N 0.221 121.408 121.223 -0.060 0.000 2.567 303 L HA 0.473 4.818 4.340 0.008 0.000 0.238 303 L C 1.937 178.666 176.870 -0.235 0.000 1.168 303 L CA -0.466 54.225 54.840 -0.247 0.000 0.817 303 L CB 0.306 42.181 42.059 -0.307 0.000 1.409 303 L HN 0.610 nan 8.230 nan 0.000 0.502 304 R N -0.278 120.012 120.500 -0.350 0.000 2.189 304 R HA -0.037 4.308 4.340 0.008 0.000 0.218 304 R C -0.441 175.786 176.300 -0.122 0.000 1.074 304 R CA 0.844 56.817 56.100 -0.211 0.000 0.991 304 R CB -0.305 29.859 30.300 -0.227 0.000 0.883 304 R HN 0.823 nan 8.270 nan 0.000 0.457 305 N N -2.254 116.379 118.700 -0.112 0.000 2.853 305 N HA -0.015 4.730 4.740 0.008 0.000 0.258 305 N C -0.029 175.457 175.510 -0.040 0.000 1.444 305 N CA -0.687 52.329 53.050 -0.058 0.000 0.837 305 N CB 0.687 39.150 38.487 -0.039 0.000 1.489 305 N HN -0.340 nan 8.380 nan 0.000 0.529 306 E N -0.019 120.168 120.200 -0.022 0.000 2.110 306 E HA -0.211 4.144 4.350 0.008 0.000 0.193 306 E C 1.199 177.802 176.600 0.005 0.000 0.988 306 E CA 1.654 58.046 56.400 -0.013 0.000 0.804 306 E CB -0.041 29.654 29.700 -0.009 0.000 0.745 306 E HN 0.724 nan 8.360 nan 0.000 0.458 307 E N -0.193 120.015 120.200 0.015 0.000 2.072 307 E HA -0.168 4.187 4.350 0.008 0.000 0.191 307 E C 2.105 178.752 176.600 0.078 0.000 0.985 307 E CA 1.058 57.483 56.400 0.040 0.000 0.801 307 E CB -0.152 29.570 29.700 0.037 0.000 0.750 307 E HN 0.348 nan 8.360 nan 0.000 0.452 308 L N 1.016 122.283 121.223 0.073 0.000 2.093 308 L HA -0.180 4.164 4.340 0.008 0.000 0.208 308 L C 2.464 179.413 176.870 0.132 0.000 1.085 308 L CA 0.746 55.677 54.840 0.152 0.000 0.755 308 L CB -0.524 41.561 42.059 0.044 0.000 0.904 308 L HN 0.183 nan 8.230 nan 0.000 0.435 309 N N -0.237 118.486 118.700 0.039 0.000 2.036 309 N HA -0.225 4.520 4.740 0.008 0.000 0.195 309 N C 1.914 177.464 175.510 0.067 0.000 1.037 309 N CA 1.345 54.413 53.050 0.029 0.000 0.855 309 N CB -0.203 38.273 38.487 -0.019 0.000 1.033 309 N HN 0.285 nan 8.380 nan 0.000 0.423 310 Q N 0.725 120.554 119.800 0.049 0.000 2.124 310 Q HA -0.089 4.256 4.340 0.008 0.000 0.202 310 Q C 2.035 178.070 176.000 0.057 0.000 0.977 310 Q CA 1.090 56.916 55.803 0.038 0.000 0.850 310 Q CB -0.268 28.490 28.738 0.032 0.000 0.901 310 Q HN 0.570 nan 8.270 nan 0.000 0.429 311 Q N -0.613 119.263 119.800 0.127 0.000 2.084 311 Q HA -0.157 4.188 4.340 0.008 0.000 0.202 311 Q C 1.899 177.943 176.000 0.075 0.000 0.978 311 Q CA 1.264 57.190 55.803 0.205 0.000 0.844 311 Q CB -0.225 28.768 28.738 0.425 0.000 0.898 311 Q HN 0.277 nan 8.270 nan 0.000 0.426 312 F N 1.094 120.837 119.950 -0.346 0.000 2.095 312 F HA -0.223 4.309 4.527 0.009 0.000 0.298 312 F C 1.744 177.325 175.800 -0.365 0.000 1.104 312 F CA 1.399 58.908 58.000 -0.818 0.000 1.232 312 F CB -0.198 38.389 39.000 -0.688 0.000 0.987 312 F HN -0.028 nan 8.300 nan 0.000 0.475 313 L N -0.233 120.827 121.223 -0.271 0.000 2.141 313 L HA -0.146 4.199 4.340 0.008 0.000 0.209 313 L C 2.766 179.496 176.870 -0.233 0.000 1.094 313 L CA 0.966 55.625 54.840 -0.303 0.000 0.763 313 L CB -1.105 40.897 42.059 -0.095 0.000 0.908 313 L HN 0.274 nan 8.230 nan 0.000 0.437 314 A N 0.359 123.100 122.820 -0.133 0.000 1.877 314 A HA -0.262 4.063 4.320 0.008 0.000 0.216 314 A C 2.309 179.851 177.584 -0.071 0.000 1.186 314 A CA 2.055 54.054 52.037 -0.062 0.000 0.620 314 A CB -0.398 18.602 19.000 0.000 0.000 0.822 314 A HN 0.247 nan 8.150 nan 0.000 0.443 315 K N 0.251 120.586 120.400 -0.109 0.000 2.057 315 K HA 0.004 4.329 4.320 0.008 0.000 0.207 315 K C 1.974 178.507 176.600 -0.112 0.000 1.049 315 K CA 1.666 57.919 56.287 -0.056 0.000 0.931 315 K CB -0.585 31.930 32.500 0.025 0.000 0.714 315 K HN 0.317 nan 8.250 nan 0.000 0.440 316 A N 1.188 123.797 122.820 -0.351 0.000 1.865 316 A HA -0.247 4.077 4.320 0.008 0.000 0.217 316 A C 2.160 179.807 177.584 0.104 0.000 1.191 316 A CA 2.204 54.078 52.037 -0.272 0.000 0.623 316 A CB -0.720 17.896 19.000 -0.640 0.000 0.826 316 A HN 0.483 nan 8.150 nan 0.000 0.444 317 K N 0.060 120.466 120.400 0.010 0.000 2.097 317 K HA -0.213 4.111 4.320 0.008 0.000 0.206 317 K C 2.044 178.694 176.600 0.083 0.000 1.049 317 K CA 1.744 58.072 56.287 0.069 0.000 0.933 317 K CB -0.225 32.286 32.500 0.019 0.000 0.717 317 K HN 0.654 nan 8.250 nan 0.000 0.442 318 E N -0.041 120.197 120.200 0.063 0.000 2.153 318 E HA -0.197 4.158 4.350 0.008 0.000 0.194 318 E C 1.232 177.892 176.600 0.099 0.000 0.988 318 E CA 0.882 57.322 56.400 0.067 0.000 0.811 318 E CB 0.145 29.879 29.700 0.058 0.000 0.746 318 E HN 0.335 nan 8.360 nan 0.000 0.466 319 Q N -0.472 119.430 119.800 0.170 0.000 2.322 319 Q HA 0.108 4.452 4.340 0.008 0.000 0.203 319 Q C 0.922 177.030 176.000 0.181 0.000 0.923 319 Q CA 0.768 56.708 55.803 0.229 0.000 0.949 319 Q CB 1.144 30.108 28.738 0.375 0.000 1.039 319 Q HN 0.539 nan 8.270 nan 0.000 0.496 320 G N 0.416 109.287 108.800 0.117 0.000 2.176 320 G HA2 -0.243 3.722 3.960 0.008 0.000 0.232 320 G HA3 -0.243 3.722 3.960 0.008 0.000 0.232 320 G C -0.164 174.730 174.900 -0.010 0.000 0.986 320 G CA -0.475 44.608 45.100 -0.028 0.000 0.643 320 G HN 0.273 nan 8.290 nan 0.000 0.522 321 F N 0.748 120.841 119.950 0.237 0.000 2.456 321 F HA 0.573 5.106 4.527 0.010 0.000 0.358 321 F C 0.773 176.673 175.800 0.168 0.000 1.095 321 F CA -0.494 57.678 58.000 0.287 0.000 1.216 321 F CB 1.628 40.721 39.000 0.155 0.000 1.125 321 F HN -0.022 nan 8.300 nan 0.000 0.549 322 V N 2.006 122.137 119.914 0.362 0.000 2.555 322 V HA 0.669 4.794 4.120 0.008 0.000 0.302 322 V C 0.489 176.732 176.094 0.248 0.000 1.038 322 V CA -0.332 62.102 62.300 0.222 0.000 0.887 322 V CB 1.106 33.008 31.823 0.131 0.000 0.991 322 V HN 0.979 nan 8.190 nan 0.000 0.434 323 G N 3.382 112.279 108.800 0.162 0.000 2.157 323 G HA2 -0.210 3.755 3.960 0.008 0.000 0.239 323 G HA3 -0.210 3.755 3.960 0.008 0.000 0.239 323 G C 0.518 175.485 174.900 0.111 0.000 0.982 323 G CA 0.331 45.516 45.100 0.142 0.000 0.650 323 G HN 0.627 nan 8.290 nan 0.000 0.527 324 L N 0.012 121.277 121.223 0.070 0.000 2.478 324 L HA 0.143 4.488 4.340 0.008 0.000 0.223 324 L C 1.274 178.105 176.870 -0.065 0.000 1.140 324 L CA 0.025 54.851 54.840 -0.024 0.000 0.842 324 L CB -0.316 41.684 42.059 -0.099 0.000 0.953 324 L HN 0.184 nan 8.230 nan 0.000 0.452 325 N N 0.879 119.554 118.700 -0.040 0.000 2.412 325 N HA 0.101 4.846 4.740 0.008 0.000 0.258 325 N C 0.591 176.060 175.510 -0.067 0.000 1.236 325 N CA 0.460 53.473 53.050 -0.062 0.000 0.882 325 N CB 0.582 39.042 38.487 -0.044 0.000 1.066 325 N HN 0.105 nan 8.380 nan 0.000 0.465 326 G N 0.696 109.433 108.800 -0.106 0.000 2.699 326 G HA2 -0.079 3.886 3.960 0.008 0.000 0.246 326 G HA3 -0.079 3.886 3.960 0.008 0.000 0.246 326 G C -0.189 174.687 174.900 -0.040 0.000 1.219 326 G CA -0.330 44.717 45.100 -0.089 0.000 0.866 326 G HN 0.667 nan 8.290 nan 0.000 0.572 327 H N 0.777 119.784 119.070 -0.105 0.000 2.972 327 H HA -0.043 4.518 4.556 0.008 0.000 0.343 327 H C 2.028 177.298 175.328 -0.096 0.000 1.054 327 H CA 0.362 56.357 56.048 -0.088 0.000 1.412 327 H CB 0.723 30.410 29.762 -0.126 0.000 1.385 327 H HN 0.660 nan 8.280 nan 0.000 0.600 328 R N 2.235 122.415 120.500 -0.533 0.000 2.159 328 R HA -0.139 4.206 4.340 0.008 0.000 0.237 328 R C 1.674 177.899 176.300 -0.125 0.000 1.131 328 R CA 1.628 57.563 56.100 -0.274 0.000 0.982 328 R CB -0.588 29.545 30.300 -0.278 0.000 0.868 328 R HN 0.556 nan 8.270 nan 0.000 0.453 329 S N 0.749 116.446 115.700 -0.004 0.000 2.447 329 S HA -0.071 4.403 4.470 0.008 0.000 0.233 329 S C 1.957 176.579 174.600 0.037 0.000 1.006 329 S CA 0.899 59.163 58.200 0.107 0.000 0.957 329 S CB -0.046 63.300 63.200 0.243 0.000 0.773 329 S HN 0.414 nan 8.310 nan 0.000 0.507 330 V N -3.437 116.469 119.914 -0.012 0.000 3.497 330 V HA 0.636 4.760 4.120 0.008 0.000 0.272 330 V C 1.271 177.315 176.094 -0.082 0.000 1.474 330 V CA 0.126 62.372 62.300 -0.089 0.000 1.025 330 V CB -0.760 30.896 31.823 -0.279 0.000 0.820 330 V HN 0.806 nan 8.190 nan 0.000 0.437 331 G N 0.864 109.618 108.800 -0.077 0.000 2.575 331 G HA2 0.222 4.187 3.960 0.008 0.000 0.267 331 G HA3 0.222 4.187 3.960 0.008 0.000 0.267 331 G C 1.092 175.926 174.900 -0.111 0.000 1.264 331 G CA 0.491 45.542 45.100 -0.082 0.000 0.935 331 G HN 2.408 nan 8.290 nan 0.000 0.568 332 G N -2.181 106.552 108.800 -0.111 0.000 2.569 332 G HA2 0.109 4.074 3.960 0.008 0.000 0.259 332 G HA3 0.109 4.074 3.960 0.008 0.000 0.259 332 G C 0.406 175.159 174.900 -0.246 0.000 1.263 332 G CA 0.938 45.937 45.100 -0.169 0.000 0.928 332 G HN 2.315 nan 8.290 nan 0.000 0.572 333 C N -0.592 118.439 119.300 -0.449 0.000 2.614 333 C HA 0.928 5.393 4.460 0.008 0.000 0.320 333 C C 0.387 175.063 174.990 -0.522 0.000 1.200 333 C CA -0.556 58.112 59.018 -0.583 0.000 1.700 333 C CB 1.759 28.828 27.740 -1.119 0.000 2.275 333 C HN 0.990 nan 8.230 nan 0.000 0.492 334 R N 1.163 121.485 120.500 -0.296 0.000 2.510 334 R HA 0.617 4.962 4.340 0.008 0.000 0.294 334 R C -1.165 175.101 176.300 -0.057 0.000 1.056 334 R CA -0.093 55.928 56.100 -0.132 0.000 0.918 334 R CB 1.141 31.413 30.300 -0.047 0.000 1.187 334 R HN 0.946 nan 8.270 nan 0.000 0.437 335 A N 3.230 126.052 122.820 0.004 0.000 2.280 335 A HA 0.405 4.730 4.320 0.008 0.000 0.320 335 A C -0.608 177.028 177.584 0.086 0.000 1.366 335 A CA -0.462 51.580 52.037 0.008 0.000 0.938 335 A CB 1.009 19.949 19.000 -0.099 0.000 1.157 335 A HN 0.652 nan 8.150 nan 0.000 0.536 336 S N 2.170 117.930 115.700 0.099 0.000 2.465 336 S HA 0.404 4.879 4.470 0.008 0.000 0.279 336 S C 0.502 174.993 174.600 -0.181 0.000 1.201 336 S CA -0.300 57.773 58.200 -0.211 0.000 1.053 336 S CB 0.092 63.057 63.200 -0.393 0.000 0.953 336 S HN 0.732 nan 8.310 nan 0.000 0.488 337 I N 0.288 120.712 120.570 -0.244 0.000 3.158 337 I HA 0.400 4.575 4.170 0.008 0.000 0.344 337 I C -0.482 175.612 176.117 -0.038 0.000 1.459 337 I CA -0.866 60.389 61.300 -0.075 0.000 0.956 337 I CB -0.355 37.685 38.000 0.067 0.000 1.793 337 I HN 0.448 nan 8.210 nan 0.000 0.522 338 Y N 0.675 121.020 120.300 0.076 0.000 2.379 338 Y HA 0.004 4.559 4.550 0.008 0.000 0.354 338 Y C 1.810 177.749 175.900 0.065 0.000 1.269 338 Y CA -0.264 57.873 58.100 0.062 0.000 1.532 338 Y CB 0.069 38.551 38.460 0.036 0.000 1.371 338 Y HN 0.268 nan 8.280 nan 0.000 0.666 339 N N 0.594 119.457 118.700 0.271 0.000 2.069 339 N HA -0.240 4.505 4.740 0.008 0.000 0.196 339 N C 1.531 177.193 175.510 0.253 0.000 1.024 339 N CA 1.780 54.980 53.050 0.251 0.000 0.869 339 N CB -0.610 38.042 38.487 0.276 0.000 1.035 339 N HN 0.707 nan 8.380 nan 0.000 0.434 340 A N 0.285 123.163 122.820 0.097 0.000 2.218 340 A HA 0.157 4.482 4.320 0.008 0.000 0.209 340 A C 0.603 178.159 177.584 -0.046 0.000 1.168 340 A CA -0.140 51.838 52.037 -0.099 0.000 0.804 340 A CB 0.130 18.938 19.000 -0.320 0.000 0.834 340 A HN 0.027 nan 8.150 nan 0.000 0.482 341 V N 3.434 123.346 119.914 -0.003 0.000 2.485 341 V HA 0.137 4.262 4.120 0.008 0.000 0.287 341 V C -1.968 174.115 176.094 -0.018 0.000 1.022 341 V CA -1.102 61.148 62.300 -0.084 0.000 1.067 341 V CB 0.440 32.169 31.823 -0.157 0.000 0.967 341 V HN 0.348 nan 8.190 nan 0.000 0.479 342 P HA 0.339 nan 4.420 nan 0.000 0.279 342 P C 1.103 178.437 177.300 0.057 0.000 1.252 342 P CA -0.462 62.671 63.100 0.056 0.000 0.811 342 P CB 1.335 33.070 31.700 0.058 0.000 1.035 343 I N 0.250 120.867 120.570 0.078 0.000 2.264 343 I HA -0.245 3.930 4.170 0.008 0.000 0.248 343 I C 1.504 177.668 176.117 0.077 0.000 1.111 343 I CA 1.629 62.974 61.300 0.075 0.000 1.382 343 I CB -0.572 37.469 38.000 0.069 0.000 1.060 343 I HN 0.288 nan 8.210 nan 0.000 0.418 344 D N 1.047 121.497 120.400 0.084 0.000 2.178 344 D HA -0.137 4.508 4.640 0.008 0.000 0.201 344 D C 2.229 178.592 176.300 0.104 0.000 0.980 344 D CA 1.396 55.454 54.000 0.097 0.000 0.842 344 D CB -0.050 40.820 40.800 0.118 0.000 0.948 344 D HN 0.361 nan 8.370 nan 0.000 0.472 345 A N -0.088 122.806 122.820 0.124 0.000 1.930 345 A HA -0.153 4.172 4.320 0.008 0.000 0.217 345 A C 2.454 180.177 177.584 0.232 0.000 1.175 345 A CA 1.069 53.186 52.037 0.134 0.000 0.627 345 A CB -0.756 18.262 19.000 0.030 0.000 0.815 345 A HN 0.353 nan 8.150 nan 0.000 0.443 346 C N -0.635 118.798 119.300 0.222 0.000 2.440 346 C HA -0.005 4.460 4.460 0.008 0.000 0.278 346 C C 2.523 177.570 174.990 0.096 0.000 1.295 346 C CA 0.719 59.883 59.018 0.243 0.000 1.738 346 C CB -1.304 26.532 27.740 0.160 0.000 1.987 346 C HN 0.620 nan 8.230 nan 0.000 0.492 347 I N 1.654 122.261 120.570 0.061 0.000 2.226 347 I HA -0.221 3.954 4.170 0.008 0.000 0.245 347 I C 2.792 178.908 176.117 -0.002 0.000 1.100 347 I CA 1.622 62.935 61.300 0.023 0.000 1.374 347 I CB -0.587 37.432 38.000 0.031 0.000 1.057 347 I HN 0.276 nan 8.210 nan 0.000 0.413 348 A N 0.738 123.530 122.820 -0.047 0.000 1.908 348 A HA -0.234 4.091 4.320 0.008 0.000 0.218 348 A C 2.257 179.864 177.584 0.038 0.000 1.181 348 A CA 1.621 53.590 52.037 -0.113 0.000 0.627 348 A CB -0.802 17.761 19.000 -0.729 0.000 0.818 348 A HN 0.385 nan 8.150 nan 0.000 0.445 349 L N 0.091 121.342 121.223 0.048 0.000 2.017 349 L HA -0.157 4.188 4.340 0.008 0.000 0.208 349 L C 2.485 179.229 176.870 -0.209 0.000 1.073 349 L CA 2.562 57.266 54.840 -0.226 0.000 0.745 349 L CB -0.721 41.179 42.059 -0.265 0.000 0.894 349 L HN 0.522 nan 8.230 nan 0.000 0.432 350 R N -0.651 119.771 120.500 -0.130 0.000 2.094 350 R HA -0.203 4.142 4.340 0.008 0.000 0.239 350 R C 2.055 178.313 176.300 -0.071 0.000 1.137 350 R CA 1.905 57.930 56.100 -0.126 0.000 0.943 350 R CB -0.297 29.957 30.300 -0.077 0.000 0.850 350 R HN 0.408 nan 8.270 nan 0.000 0.433 351 E N 0.718 120.902 120.200 -0.027 0.000 2.110 351 E HA -0.196 4.159 4.350 0.008 0.000 0.193 351 E C 1.988 178.611 176.600 0.038 0.000 0.988 351 E CA 0.932 57.339 56.400 0.013 0.000 0.804 351 E CB -0.347 29.371 29.700 0.031 0.000 0.745 351 E HN 0.346 nan 8.360 nan 0.000 0.458 352 L N 0.272 121.506 121.223 0.017 0.000 2.056 352 L HA -0.105 4.240 4.340 0.008 0.000 0.207 352 L C 2.325 179.285 176.870 0.149 0.000 1.078 352 L CA 1.475 56.342 54.840 0.044 0.000 0.749 352 L CB -0.322 41.647 42.059 -0.150 0.000 0.901 352 L HN 0.045 nan 8.230 nan 0.000 0.433 353 M N -0.938 118.710 119.600 0.079 0.000 2.108 353 M HA -0.250 4.234 4.480 0.008 0.000 0.261 353 M C 2.248 178.697 176.300 0.249 0.000 1.066 353 M CA 2.044 57.424 55.300 0.132 0.000 1.107 353 M CB -0.425 31.949 32.600 -0.376 0.000 1.356 353 M HN 0.281 nan 8.290 nan 0.000 0.406 354 I N -0.303 120.329 120.570 0.104 0.000 2.252 354 I HA -0.300 3.874 4.170 0.008 0.000 0.245 354 I C 2.710 178.869 176.117 0.069 0.000 1.102 354 I CA 1.349 62.695 61.300 0.077 0.000 1.385 354 I CB -0.368 37.648 38.000 0.026 0.000 1.064 354 I HN 0.421 nan 8.210 nan 0.000 0.414 355 Q N 0.611 120.473 119.800 0.102 0.000 2.119 355 Q HA -0.260 4.085 4.340 0.008 0.000 0.201 355 Q C 2.283 178.346 176.000 0.106 0.000 0.972 355 Q CA 1.729 57.583 55.803 0.085 0.000 0.847 355 Q CB -0.223 28.575 28.738 0.101 0.000 0.903 355 Q HN 0.453 nan 8.270 nan 0.000 0.433 356 F N 1.605 121.610 119.950 0.092 0.000 2.171 356 F HA -0.130 4.401 4.527 0.007 0.000 0.300 356 F C 2.305 178.085 175.800 -0.033 0.000 1.090 356 F CA 1.867 59.950 58.000 0.138 0.000 1.293 356 F CB -0.064 39.171 39.000 0.392 0.000 1.013 356 F HN 0.028 nan 8.300 nan 0.000 0.486 357 K N 0.031 120.377 120.400 -0.089 0.000 2.097 357 K HA -0.180 4.144 4.320 0.008 0.000 0.206 357 K C 1.936 178.210 176.600 -0.543 0.000 1.049 357 K CA 1.596 57.390 56.287 -0.822 0.000 0.933 357 K CB -0.155 31.829 32.500 -0.859 0.000 0.717 357 K HN 0.126 nan 8.250 nan 0.000 0.442 358 E N 0.892 120.925 120.200 -0.277 0.000 2.106 358 E HA -0.124 4.231 4.350 0.008 0.000 0.192 358 E C 1.379 177.866 176.600 -0.188 0.000 0.984 358 E CA 0.908 57.192 56.400 -0.194 0.000 0.806 358 E CB -0.184 29.453 29.700 -0.106 0.000 0.750 358 E HN 0.373 nan 8.360 nan 0.000 0.458 359 N N 0.358 118.931 118.700 -0.212 0.000 2.398 359 N HA 0.075 4.820 4.740 0.008 0.000 0.188 359 N C 0.337 175.687 175.510 -0.268 0.000 1.122 359 N CA 0.267 53.197 53.050 -0.200 0.000 0.866 359 N CB 0.214 38.599 38.487 -0.170 0.000 0.970 359 N HN 0.039 nan 8.380 nan 0.000 0.462 360 A N 0.000 122.620 122.820 -0.333 0.000 2.254 360 A HA 0.000 4.325 4.320 0.008 0.000 0.244 360 A CA 0.000 51.880 52.037 -0.261 0.000 0.836 360 A CB 0.000 18.924 19.000 -0.127 0.000 0.831 360 A HN 0.000 nan 8.150 nan 0.000 0.486