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 1sjd_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.316 55.300 0.026 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 K N 1.992 122.402 120.400 0.016 0.000 2.565 2 K HA 0.431 4.751 4.320 0.001 0.000 0.249 2 K C -1.504 175.105 176.600 0.014 0.000 0.958 2 K CA -0.247 56.048 56.287 0.013 0.000 0.806 2 K CB 1.762 34.270 32.500 0.013 0.000 1.194 2 K HN 0.369 nan 8.250 nan 0.000 0.434 3 L N 3.818 125.045 121.223 0.006 0.000 2.462 3 L HA 0.054 4.394 4.340 0.001 0.000 0.272 3 L C 0.779 177.658 176.870 0.014 0.000 1.166 3 L CA 0.453 55.293 54.840 0.000 0.000 0.880 3 L CB 0.943 42.986 42.059 -0.026 0.000 1.142 3 L HN 0.786 nan 8.230 nan 0.000 0.473 4 S N 2.941 118.673 115.700 0.055 0.000 2.421 4 S HA 0.272 4.742 4.470 0.001 0.000 0.224 4 S C 0.588 175.285 174.600 0.161 0.000 1.035 4 S CA 0.463 58.742 58.200 0.132 0.000 0.953 4 S CB 0.540 63.849 63.200 0.182 0.000 0.810 4 S HN 0.936 nan 8.310 nan 0.000 0.497 5 G N -0.125 108.682 108.800 0.011 0.000 2.315 5 G HA2 0.437 4.397 3.960 0.001 0.000 0.294 5 G HA3 0.437 4.397 3.960 0.001 0.000 0.294 5 G C -2.152 172.373 174.900 -0.626 0.000 1.300 5 G CA -0.641 44.123 45.100 -0.560 0.000 0.843 5 G HN 0.157 nan 8.290 nan 0.000 0.527 6 V N 0.144 119.462 119.914 -0.993 0.000 2.808 6 V HA 0.594 4.715 4.120 0.001 0.000 0.308 6 V C -0.364 175.444 176.094 -0.477 0.000 1.099 6 V CA -0.738 61.255 62.300 -0.512 0.000 0.920 6 V CB 1.845 33.476 31.823 -0.319 0.000 1.014 6 V HN 0.944 nan 8.190 nan 0.000 0.425 7 E N 4.089 124.232 120.200 -0.095 0.000 2.197 7 E HA 0.577 4.927 4.350 0.001 0.000 0.281 7 E C -1.493 175.088 176.600 -0.032 0.000 0.995 7 E CA -0.559 55.874 56.400 0.055 0.000 0.808 7 E CB 1.266 31.074 29.700 0.181 0.000 1.093 7 E HN 0.608 nan 8.360 nan 0.000 0.394 8 L N 5.395 126.604 121.223 -0.024 0.000 2.280 8 L HA 0.510 4.850 4.340 0.001 0.000 0.287 8 L C 0.103 176.992 176.870 0.033 0.000 1.023 8 L CA -0.554 54.276 54.840 -0.016 0.000 0.819 8 L CB 1.365 43.388 42.059 -0.060 0.000 1.212 8 L HN 0.474 nan 8.230 nan 0.000 0.420 9 R N 3.414 123.953 120.500 0.064 0.000 2.621 9 R HA 0.524 4.864 4.340 0.001 0.000 0.292 9 R C -1.014 175.329 176.300 0.071 0.000 0.969 9 R CA -0.862 55.287 56.100 0.082 0.000 0.887 9 R CB 1.728 32.109 30.300 0.135 0.000 1.180 9 R HN 0.517 nan 8.270 nan 0.000 0.450 10 R N 2.577 123.111 120.500 0.057 0.000 2.312 10 R HA 0.474 4.815 4.340 0.001 0.000 0.311 10 R C -0.913 175.412 176.300 0.042 0.000 1.004 10 R CA -0.679 55.450 56.100 0.049 0.000 0.902 10 R CB 1.873 32.200 30.300 0.046 0.000 1.073 10 R HN 0.330 nan 8.270 nan 0.000 0.457 11 V N 2.562 122.496 119.914 0.033 0.000 2.962 11 V HA 0.360 4.481 4.120 0.001 0.000 0.313 11 V C -0.492 175.609 176.094 0.011 0.000 1.099 11 V CA -0.751 61.556 62.300 0.013 0.000 0.971 11 V CB 2.608 34.428 31.823 -0.004 0.000 1.028 11 V HN 0.568 nan 8.190 nan 0.000 0.430 12 Q N 3.554 123.356 119.800 0.003 0.000 2.275 12 Q HA 0.610 4.950 4.340 0.001 0.000 0.266 12 Q C -1.621 174.383 176.000 0.006 0.000 1.002 12 Q CA -0.324 55.489 55.803 0.018 0.000 0.761 12 Q CB 2.142 30.897 28.738 0.029 0.000 1.255 12 Q HN 0.694 nan 8.270 nan 0.000 0.446 13 M N 4.384 123.997 119.600 0.022 0.000 2.197 13 M HA 0.411 4.891 4.480 0.001 0.000 0.301 13 M C -2.449 173.959 176.300 0.180 0.000 0.987 13 M CA -1.886 53.432 55.300 0.031 0.000 0.921 13 M CB 2.271 34.758 32.600 -0.189 0.000 1.569 13 M HN 0.161 nan 8.290 nan 0.000 0.431 14 P HA 0.162 nan 4.420 nan 0.000 0.271 14 P C -1.038 176.415 177.300 0.254 0.000 1.216 14 P CA 0.037 63.240 63.100 0.172 0.000 0.771 14 P CB 0.375 32.151 31.700 0.126 0.000 0.864 15 L N 3.060 124.393 121.223 0.184 0.000 2.350 15 L HA 0.151 4.492 4.340 0.001 0.000 0.275 15 L C 2.004 178.948 176.870 0.125 0.000 1.099 15 L CA -0.723 54.206 54.840 0.147 0.000 0.808 15 L CB 1.191 43.331 42.059 0.135 0.000 1.149 15 L HN 0.228 nan 8.230 nan 0.000 0.442 16 V N -0.036 119.939 119.914 0.101 0.000 2.720 16 V HA 0.054 4.175 4.120 0.001 0.000 0.256 16 V C 0.742 176.875 176.094 0.065 0.000 1.082 16 V CA 1.167 63.512 62.300 0.075 0.000 1.101 16 V CB -0.789 31.064 31.823 0.051 0.000 0.693 16 V HN 0.752 nan 8.190 nan 0.000 0.479 17 A N 0.011 122.880 122.820 0.083 0.000 2.520 17 A HA 0.811 5.132 4.320 0.001 0.000 0.298 17 A C -3.230 174.440 177.584 0.144 0.000 1.051 17 A CA -1.677 50.414 52.037 0.091 0.000 0.690 17 A CB 1.258 20.302 19.000 0.073 0.000 1.281 17 A HN 0.180 nan 8.150 nan 0.000 0.402 18 P HA 0.342 nan 4.420 nan 0.000 0.271 18 P C -1.009 176.416 177.300 0.209 0.000 1.216 18 P CA 0.317 63.499 63.100 0.136 0.000 0.771 18 P CB 0.177 31.916 31.700 0.064 0.000 0.864 19 F N 3.562 123.533 119.950 0.034 0.000 2.402 19 F HA 0.463 4.990 4.527 0.001 0.000 0.355 19 F C 0.390 176.163 175.800 -0.045 0.000 1.123 19 F CA -1.033 56.987 58.000 0.033 0.000 1.021 19 F CB 1.213 40.279 39.000 0.111 0.000 1.160 19 F HN 0.146 nan 8.300 nan 0.000 0.451 20 R N 4.667 124.824 120.500 -0.572 0.000 2.445 20 R HA 0.598 4.938 4.340 0.001 0.000 0.308 20 R C -0.889 174.957 176.300 -0.755 0.000 0.961 20 R CA -0.270 55.497 56.100 -0.555 0.000 0.862 20 R CB 1.565 31.649 30.300 -0.360 0.000 1.144 20 R HN 0.795 nan 8.270 nan 0.000 0.447 21 T N -0.519 113.601 114.554 -0.723 0.000 2.773 21 T HA 0.187 4.538 4.350 0.001 0.000 0.278 21 T C 1.154 175.542 174.700 -0.520 0.000 1.011 21 T CA -0.156 61.525 62.100 -0.699 0.000 1.014 21 T CB 1.215 69.474 68.868 -1.015 0.000 1.293 21 T HN 0.551 nan 8.240 nan 0.000 0.554 22 S N 0.185 115.671 115.700 -0.357 0.000 2.442 22 S HA -0.073 4.398 4.470 0.001 0.000 0.236 22 S C 1.338 175.865 174.600 -0.121 0.000 1.007 22 S CA 0.892 58.988 58.200 -0.173 0.000 0.965 22 S CB -1.172 62.007 63.200 -0.035 0.000 0.773 22 S HN 0.792 nan 8.310 nan 0.000 0.504 23 F N 0.243 120.180 119.950 -0.021 0.000 2.693 23 F HA 0.708 5.236 4.527 0.001 0.000 0.303 23 F C 0.886 176.671 175.800 -0.024 0.000 1.097 23 F CA -0.377 57.618 58.000 -0.009 0.000 1.330 23 F CB -0.316 38.703 39.000 0.032 0.000 1.067 23 F HN 0.418 nan 8.300 nan 0.000 0.565 24 G N 0.044 108.715 108.800 -0.215 0.000 2.353 24 G HA2 0.254 4.215 3.960 0.001 0.000 0.424 24 G HA3 0.254 4.215 3.960 0.001 0.000 0.424 24 G C -1.302 173.476 174.900 -0.203 0.000 1.320 24 G CA -0.666 44.363 45.100 -0.117 0.000 0.995 24 G HN 0.178 nan 8.290 nan 0.000 0.580 25 T N 0.462 114.955 114.554 -0.102 0.000 2.779 25 T HA 0.654 5.005 4.350 0.001 0.000 0.280 25 T C -0.145 174.558 174.700 0.005 0.000 0.987 25 T CA -0.345 61.704 62.100 -0.086 0.000 0.966 25 T CB 1.932 70.752 68.868 -0.081 0.000 0.933 25 T HN 0.636 nan 8.240 nan 0.000 0.442 26 Q N 1.245 121.075 119.800 0.051 0.000 2.322 26 Q HA 0.472 4.813 4.340 0.001 0.000 0.265 26 Q C 0.094 176.165 176.000 0.119 0.000 0.985 26 Q CA -0.494 55.375 55.803 0.109 0.000 0.849 26 Q CB 1.041 29.884 28.738 0.175 0.000 1.274 26 Q HN 0.751 nan 8.270 nan 0.000 0.449 27 S N 1.318 117.075 115.700 0.094 0.000 2.526 27 S HA 0.241 4.711 4.470 0.001 0.000 0.220 27 S C -0.035 174.626 174.600 0.102 0.000 1.017 27 S CA -0.205 58.051 58.200 0.093 0.000 0.930 27 S CB 0.955 64.195 63.200 0.067 0.000 0.856 27 S HN 0.367 nan 8.310 nan 0.000 0.497 28 V N 1.781 121.756 119.914 0.101 0.000 2.971 28 V HA 0.516 4.636 4.120 0.001 0.000 0.309 28 V C -0.874 175.286 176.094 0.109 0.000 1.130 28 V CA -0.907 61.459 62.300 0.110 0.000 0.964 28 V CB 2.354 34.230 31.823 0.088 0.000 1.029 28 V HN 0.062 nan 8.190 nan 0.000 0.427 29 R N 2.624 123.206 120.500 0.137 0.000 2.295 29 R HA 0.464 4.804 4.340 0.001 0.000 0.324 29 R C -0.771 175.579 176.300 0.084 0.000 0.968 29 R CA -0.353 55.816 56.100 0.116 0.000 0.837 29 R CB 1.441 31.853 30.300 0.187 0.000 1.133 29 R HN 0.780 nan 8.270 nan 0.000 0.450 30 E N 5.522 125.764 120.200 0.070 0.000 2.113 30 E HA 0.328 4.679 4.350 0.001 0.000 0.273 30 E C -0.401 176.231 176.600 0.054 0.000 0.924 30 E CA -0.548 55.888 56.400 0.060 0.000 0.764 30 E CB 1.799 31.540 29.700 0.069 0.000 1.104 30 E HN 0.317 nan 8.360 nan 0.000 0.406 31 L N 2.261 123.509 121.223 0.041 0.000 2.279 31 L HA 0.565 4.906 4.340 0.001 0.000 0.262 31 L C -0.580 176.316 176.870 0.043 0.000 1.019 31 L CA -0.945 53.918 54.840 0.037 0.000 0.823 31 L CB 1.741 43.812 42.059 0.020 0.000 1.358 31 L HN 0.350 nan 8.230 nan 0.000 0.432 32 L N 2.615 123.867 121.223 0.048 0.000 2.349 32 L HA 0.607 4.948 4.340 0.001 0.000 0.278 32 L C -1.339 175.574 176.870 0.071 0.000 0.996 32 L CA -0.403 54.468 54.840 0.052 0.000 0.825 32 L CB 1.415 43.498 42.059 0.040 0.000 1.243 32 L HN 0.509 nan 8.230 nan 0.000 0.412 33 L N 4.713 125.996 121.223 0.099 0.000 2.333 33 L HA 0.589 4.930 4.340 0.001 0.000 0.269 33 L C -1.200 175.761 176.870 0.151 0.000 1.010 33 L CA -1.037 53.901 54.840 0.164 0.000 0.818 33 L CB 2.172 44.385 42.059 0.256 0.000 1.306 33 L HN 0.415 nan 8.230 nan 0.000 0.430 34 L N 1.958 123.276 121.223 0.159 0.000 2.386 34 L HA 0.514 4.855 4.340 0.001 0.000 0.271 34 L C -0.302 176.487 176.870 -0.135 0.000 0.993 34 L CA -0.231 54.622 54.840 0.023 0.000 0.819 34 L CB 1.804 43.862 42.059 -0.001 0.000 1.294 34 L HN 0.458 nan 8.230 nan 0.000 0.414 35 R N 2.343 122.641 120.500 -0.338 0.000 2.310 35 R HA 0.777 5.117 4.340 0.001 0.000 0.316 35 R C -0.845 175.252 176.300 -0.338 0.000 1.004 35 R CA -0.440 55.219 56.100 -0.735 0.000 0.900 35 R CB 1.028 30.761 30.300 -0.946 0.000 1.152 35 R HN 0.795 nan 8.270 nan 0.000 0.513 36 A N 3.773 126.427 122.820 -0.278 0.000 2.328 36 A HA 0.429 4.750 4.320 0.001 0.000 0.284 36 A C -0.431 177.106 177.584 -0.077 0.000 1.160 36 A CA -0.459 51.500 52.037 -0.131 0.000 0.818 36 A CB 1.097 20.045 19.000 -0.086 0.000 1.087 36 A HN 0.471 nan 8.150 nan 0.000 0.504 37 V N 3.126 123.069 119.914 0.048 0.000 2.370 37 V HA 0.631 4.751 4.120 0.001 0.000 0.283 37 V C 0.537 176.678 176.094 0.079 0.000 1.023 37 V CA 0.085 62.445 62.300 0.100 0.000 0.857 37 V CB 1.242 33.229 31.823 0.273 0.000 0.985 37 V HN 1.127 nan 8.190 nan 0.000 0.443 38 T N 2.352 116.928 114.554 0.037 0.000 2.916 38 T HA 0.535 4.885 4.350 0.001 0.000 0.292 38 T C -2.222 172.490 174.700 0.019 0.000 1.055 38 T CA -2.115 60.002 62.100 0.029 0.000 1.009 38 T CB 2.418 71.297 68.868 0.019 0.000 1.118 38 T HN 0.296 nan 8.240 nan 0.000 0.497 39 P HA 0.013 nan 4.420 nan 0.000 0.216 39 P C 1.429 178.726 177.300 -0.004 0.000 1.150 39 P CA 1.350 64.453 63.100 0.005 0.000 0.837 39 P CB -0.243 31.459 31.700 0.003 0.000 0.786 40 A N -1.457 121.359 122.820 -0.005 0.000 2.206 40 A HA 0.431 4.751 4.320 0.001 0.000 0.211 40 A C 1.156 178.735 177.584 -0.008 0.000 1.158 40 A CA 1.165 53.192 52.037 -0.016 0.000 0.761 40 A CB -0.840 18.145 19.000 -0.025 0.000 0.801 40 A HN 0.359 nan 8.150 nan 0.000 0.473 41 G N -0.667 108.133 108.800 -0.001 0.000 2.343 41 G HA2 0.249 4.210 3.960 0.001 0.000 0.465 41 G HA3 0.249 4.210 3.960 0.001 0.000 0.465 41 G C -0.802 174.096 174.900 -0.003 0.000 1.282 41 G CA -0.356 44.745 45.100 0.002 0.000 0.996 41 G HN 0.756 nan 8.290 nan 0.000 0.521 42 E N -0.736 119.456 120.200 -0.014 0.000 2.250 42 E HA 0.722 5.072 4.350 0.001 0.000 0.269 42 E C 0.316 176.878 176.600 -0.064 0.000 1.018 42 E CA -0.563 55.793 56.400 -0.073 0.000 0.873 42 E CB 2.056 31.670 29.700 -0.143 0.000 1.134 42 E HN 1.359 nan 8.360 nan 0.000 0.403 43 G N 0.899 109.601 108.800 -0.164 0.000 2.660 43 G HA2 0.483 4.444 3.960 0.001 0.000 0.294 43 G HA3 0.483 4.444 3.960 0.001 0.000 0.294 43 G C -2.069 172.679 174.900 -0.254 0.000 1.369 43 G CA -1.047 44.014 45.100 -0.066 0.000 0.912 43 G HN 0.472 nan 8.290 nan 0.000 0.479 44 W N 0.029 121.358 121.300 0.047 0.000 2.632 44 W HA 0.646 5.307 4.660 0.001 0.000 0.328 44 W C 0.380 176.920 176.519 0.034 0.000 1.044 44 W CA -0.429 56.934 57.345 0.030 0.000 1.225 44 W CB 2.772 32.233 29.460 0.001 0.000 1.396 44 W HN 0.787 nan 8.180 nan 0.000 0.499 45 G N 1.347 110.302 108.800 0.260 0.000 2.481 45 G HA2 0.615 4.576 3.960 0.001 0.000 0.315 45 G HA3 0.615 4.576 3.960 0.001 0.000 0.315 45 G C -1.826 173.194 174.900 0.199 0.000 1.231 45 G CA -0.684 44.536 45.100 0.199 0.000 0.968 45 G HN 0.394 nan 8.290 nan 0.000 0.482 46 E N 0.130 120.428 120.200 0.163 0.000 2.224 46 E HA 0.413 4.764 4.350 0.001 0.000 0.265 46 E C -0.938 175.724 176.600 0.103 0.000 0.878 46 E CA -0.697 55.778 56.400 0.125 0.000 0.759 46 E CB 1.933 31.690 29.700 0.095 0.000 1.164 46 E HN 0.516 nan 8.360 nan 0.000 0.414 47 C N 4.257 123.603 119.300 0.077 0.000 2.463 47 C HA 0.343 4.804 4.460 0.001 0.000 0.380 47 C C 1.477 176.490 174.990 0.038 0.000 1.264 47 C CA -0.334 58.719 59.018 0.058 0.000 2.161 47 C CB 0.188 27.956 27.740 0.048 0.000 2.515 47 C HN 0.714 nan 8.230 nan 0.000 0.565 48 V N 3.262 123.188 119.914 0.020 0.000 3.596 48 V HA 0.207 4.328 4.120 0.001 0.000 0.289 48 V C 0.964 177.048 176.094 -0.016 0.000 1.336 48 V CA 0.578 62.869 62.300 -0.014 0.000 1.137 48 V CB -1.583 30.207 31.823 -0.055 0.000 0.966 48 V HN 0.970 nan 8.190 nan 0.000 0.428 49 T N -0.976 113.590 114.554 0.021 0.000 2.802 49 T HA 0.564 4.914 4.350 0.001 0.000 0.305 49 T C -0.133 174.600 174.700 0.054 0.000 1.053 49 T CA -0.161 61.967 62.100 0.047 0.000 1.058 49 T CB 1.345 70.253 68.868 0.067 0.000 0.988 49 T HN 0.366 nan 8.240 nan 0.000 0.539 50 M N 0.276 119.926 119.600 0.085 0.000 2.872 50 M HA 0.594 5.074 4.480 0.001 0.000 0.290 50 M C 1.933 178.319 176.300 0.143 0.000 1.180 50 M CA -0.944 54.414 55.300 0.096 0.000 0.839 50 M CB 1.047 33.706 32.600 0.098 0.000 1.667 50 M HN 0.771 nan 8.290 nan 0.000 0.512 51 A N 0.127 123.024 122.820 0.129 0.000 1.883 51 A HA 0.146 4.467 4.320 0.001 0.000 0.217 51 A C 0.971 178.647 177.584 0.154 0.000 1.186 51 A CA 1.915 54.038 52.037 0.143 0.000 0.624 51 A CB -0.992 18.066 19.000 0.096 0.000 0.822 51 A HN 0.833 nan 8.150 nan 0.000 0.444 52 G N -1.985 106.848 108.800 0.055 0.000 2.537 52 G HA2 0.528 4.488 3.960 0.001 0.000 0.308 52 G HA3 0.528 4.488 3.960 0.001 0.000 0.308 52 G C -3.051 171.814 174.900 -0.059 0.000 1.237 52 G CA -1.381 43.640 45.100 -0.132 0.000 0.968 52 G HN 0.007 nan 8.290 nan 0.000 0.481 53 P HA 0.214 nan 4.420 nan 0.000 0.231 53 P C 0.577 177.826 177.300 -0.086 0.000 1.811 53 P CA -0.132 62.945 63.100 -0.040 0.000 1.051 53 P CB 0.166 31.840 31.700 -0.044 0.000 1.951 54 L N 0.037 121.194 121.223 -0.110 0.000 2.425 54 L HA 0.076 4.416 4.340 0.001 0.000 0.215 54 L C 2.108 178.704 176.870 -0.458 0.000 1.065 54 L CA 0.520 55.248 54.840 -0.186 0.000 0.842 54 L CB -0.359 41.664 42.059 -0.060 0.000 1.033 54 L HN 0.126 nan 8.230 nan 0.000 0.474 55 Y N 0.928 120.800 120.300 -0.712 0.000 2.436 55 Y HA 0.101 4.651 4.550 0.001 0.000 0.288 55 Y C 1.121 176.823 175.900 -0.329 0.000 1.112 55 Y CA 0.208 57.833 58.100 -0.792 0.000 1.220 55 Y CB 0.534 38.542 38.460 -0.754 0.000 1.073 55 Y HN 0.158 nan 8.280 nan 0.000 0.552 56 S N -1.530 114.077 115.700 -0.154 0.000 2.672 56 S HA 0.239 4.710 4.470 0.001 0.000 0.271 56 S C 0.679 175.257 174.600 -0.037 0.000 1.171 56 S CA -0.246 57.870 58.200 -0.139 0.000 0.817 56 S CB 0.630 63.787 63.200 -0.072 0.000 1.150 56 S HN 0.324 nan 8.310 nan 0.000 0.478 57 S N -0.124 115.556 115.700 -0.033 0.000 2.447 57 S HA 0.028 4.498 4.470 0.001 0.000 0.233 57 S C 0.344 175.016 174.600 0.119 0.000 1.006 57 S CA 0.503 58.713 58.200 0.017 0.000 0.957 57 S CB -0.838 62.346 63.200 -0.028 0.000 0.773 57 S HN 0.754 nan 8.310 nan 0.000 0.507 58 E N 1.175 121.427 120.200 0.088 0.000 2.354 58 E HA 0.451 4.801 4.350 0.001 0.000 0.269 58 E C -0.790 175.955 176.600 0.240 0.000 1.036 58 E CA -0.551 55.917 56.400 0.113 0.000 0.876 58 E CB 0.520 30.245 29.700 0.043 0.000 1.009 58 E HN 0.684 nan 8.360 nan 0.000 0.416 59 Y N 0.002 120.328 120.300 0.044 0.000 2.609 59 Y HA 0.338 4.889 4.550 0.001 0.000 0.336 59 Y C 0.474 176.407 175.900 0.056 0.000 1.129 59 Y CA -1.326 56.799 58.100 0.041 0.000 1.040 59 Y CB 0.245 38.722 38.460 0.028 0.000 1.310 59 Y HN 0.223 nan 8.280 nan 0.000 0.460 60 N N 1.107 119.880 118.700 0.121 0.000 2.058 60 N HA -0.245 4.495 4.740 0.001 0.000 0.200 60 N C 0.856 176.338 175.510 -0.046 0.000 1.033 60 N CA 2.404 55.483 53.050 0.049 0.000 0.880 60 N CB -0.386 38.163 38.487 0.103 0.000 1.069 60 N HN 0.855 nan 8.380 nan 0.000 0.461 61 D N -0.380 120.006 120.400 -0.023 0.000 2.218 61 D HA -0.055 4.586 4.640 0.001 0.000 0.204 61 D C 1.902 178.073 176.300 -0.215 0.000 0.976 61 D CA 1.154 55.126 54.000 -0.048 0.000 0.853 61 D CB -0.643 40.223 40.800 0.110 0.000 0.939 61 D HN 0.436 nan 8.370 nan 0.000 0.481 62 G N 0.562 108.972 108.800 -0.650 0.000 2.394 62 G HA2 -0.072 3.889 3.960 0.001 0.000 0.215 62 G HA3 -0.072 3.889 3.960 0.001 0.000 0.215 62 G C 1.706 176.501 174.900 -0.175 0.000 1.165 62 G CA 0.901 45.687 45.100 -0.524 0.000 0.784 62 G HN 0.374 nan 8.290 nan 0.000 0.535 63 A N 0.845 123.571 122.820 -0.157 0.000 1.873 63 A HA -0.005 4.315 4.320 0.001 0.000 0.215 63 A C 2.113 179.681 177.584 -0.027 0.000 1.186 63 A CA 2.012 54.028 52.037 -0.037 0.000 0.616 63 A CB -0.524 18.466 19.000 -0.016 0.000 0.823 63 A HN 0.445 nan 8.150 nan 0.000 0.442 64 E N -1.091 119.095 120.200 -0.024 0.000 2.058 64 E HA -0.314 4.036 4.350 0.001 0.000 0.194 64 E C 1.858 178.458 176.600 0.000 0.000 0.997 64 E CA 1.684 58.074 56.400 -0.016 0.000 0.801 64 E CB -0.282 29.419 29.700 0.003 0.000 0.746 64 E HN 0.822 nan 8.360 nan 0.000 0.450 65 H N -0.601 118.458 119.070 -0.019 0.000 2.321 65 H HA -0.103 4.453 4.556 0.001 0.000 0.300 65 H C 2.076 177.480 175.328 0.126 0.000 1.087 65 H CA 1.852 57.961 56.048 0.103 0.000 1.319 65 H CB -0.168 29.631 29.762 0.062 0.000 1.379 65 H HN 0.118 nan 8.280 nan 0.000 0.501 66 V N 0.089 120.089 119.914 0.143 0.000 2.427 66 V HA -0.180 3.941 4.120 0.001 0.000 0.248 66 V C 2.292 178.338 176.094 -0.080 0.000 1.051 66 V CA 1.710 64.026 62.300 0.027 0.000 1.048 66 V CB -0.441 31.168 31.823 -0.358 0.000 0.666 66 V HN 0.455 nan 8.190 nan 0.000 0.456 67 L N -0.321 120.834 121.223 -0.113 0.000 2.027 67 L HA -0.154 4.186 4.340 0.001 0.000 0.206 67 L C 2.722 179.443 176.870 -0.248 0.000 1.074 67 L CA 2.248 56.995 54.840 -0.155 0.000 0.745 67 L CB -0.570 41.416 42.059 -0.121 0.000 0.898 67 L HN 0.293 nan 8.230 nan 0.000 0.433 68 R N -0.883 119.426 120.500 -0.318 0.000 2.073 68 R HA -0.166 4.175 4.340 0.001 0.000 0.234 68 R C 2.168 178.009 176.300 -0.764 0.000 1.134 68 R CA 1.601 57.372 56.100 -0.549 0.000 0.952 68 R CB -0.184 29.724 30.300 -0.652 0.000 0.850 68 R HN 0.471 nan 8.270 nan 0.000 0.433 69 H N -2.130 116.648 119.070 -0.488 0.000 2.563 69 H HA 0.045 4.601 4.556 0.001 0.000 0.264 69 H C 0.589 175.348 175.328 -0.950 0.000 0.957 69 H CA 0.890 56.513 56.048 -0.709 0.000 1.173 69 H CB 0.542 29.764 29.762 -0.900 0.000 1.420 69 H HN 0.335 nan 8.280 nan 0.000 0.551 70 Y N -0.521 119.581 120.300 -0.330 0.000 2.846 70 Y HA 0.095 4.646 4.550 0.001 0.000 0.258 70 Y C 2.401 177.968 175.900 -0.556 0.000 1.077 70 Y CA -0.181 57.583 58.100 -0.560 0.000 1.270 70 Y CB 0.084 37.915 38.460 -1.048 0.000 1.476 70 Y HN -0.135 nan 8.280 nan 0.000 0.460 71 L N -0.049 120.976 121.223 -0.330 0.000 2.005 71 L HA -0.146 4.195 4.340 0.001 0.000 0.207 71 L C 1.970 178.780 176.870 -0.101 0.000 1.072 71 L CA 1.560 56.295 54.840 -0.175 0.000 0.744 71 L CB -0.700 41.284 42.059 -0.125 0.000 0.895 71 L HN 0.209 nan 8.230 nan 0.000 0.433 72 I N -0.057 120.414 120.570 -0.165 0.000 2.142 72 I HA -0.181 3.989 4.170 0.001 0.000 0.240 72 I C -0.301 175.729 176.117 -0.146 0.000 1.078 72 I CA 1.451 62.649 61.300 -0.170 0.000 1.343 72 I CB -1.399 36.455 38.000 -0.244 0.000 1.046 72 I HN 0.167 nan 8.210 nan 0.000 0.405 73 P HA -0.226 nan 4.420 nan 0.000 0.216 73 P C 1.433 178.714 177.300 -0.032 0.000 1.153 73 P CA 2.045 65.072 63.100 -0.121 0.000 0.858 73 P CB -0.088 31.523 31.700 -0.148 0.000 0.789 74 A N -0.745 122.096 122.820 0.036 0.000 1.930 74 A HA -0.131 4.190 4.320 0.001 0.000 0.217 74 A C 2.220 179.843 177.584 0.064 0.000 1.175 74 A CA 1.305 53.416 52.037 0.124 0.000 0.627 74 A CB -1.504 17.693 19.000 0.329 0.000 0.815 74 A HN 0.126 nan 8.150 nan 0.000 0.443 75 L N -0.828 120.412 121.223 0.028 0.000 2.179 75 L HA -0.063 4.278 4.340 0.001 0.000 0.208 75 L C 2.403 179.265 176.870 -0.012 0.000 1.096 75 L CA 0.577 55.423 54.840 0.010 0.000 0.779 75 L CB -0.508 41.547 42.059 -0.006 0.000 0.922 75 L HN 0.360 nan 8.230 nan 0.000 0.443 76 L N 0.047 121.247 121.223 -0.038 0.000 2.083 76 L HA -0.151 4.189 4.340 0.001 0.000 0.209 76 L C 2.713 179.570 176.870 -0.022 0.000 1.083 76 L CA 1.063 55.875 54.840 -0.046 0.000 0.752 76 L CB -0.585 41.424 42.059 -0.083 0.000 0.899 76 L HN 0.222 nan 8.230 nan 0.000 0.433 77 A N -0.017 122.797 122.820 -0.010 0.000 2.168 77 A HA 0.215 4.536 4.320 0.001 0.000 0.215 77 A C 1.329 178.917 177.584 0.006 0.000 1.152 77 A CA 0.701 52.739 52.037 0.001 0.000 0.716 77 A CB -0.531 18.476 19.000 0.011 0.000 0.794 77 A HN 0.311 nan 8.150 nan 0.000 0.465 78 A N -0.574 122.251 122.820 0.008 0.000 2.332 78 A HA 0.466 4.786 4.320 0.001 0.000 0.258 78 A C 0.874 178.462 177.584 0.006 0.000 1.087 78 A CA 0.136 52.179 52.037 0.009 0.000 0.802 78 A CB 0.322 19.330 19.000 0.013 0.000 1.042 78 A HN 0.271 nan 8.150 nan 0.000 0.489 79 E N -0.129 120.075 120.200 0.007 0.000 2.102 79 E HA 0.007 4.357 4.350 0.001 0.000 0.190 79 E C 0.121 176.726 176.600 0.009 0.000 0.971 79 E CA 1.160 57.564 56.400 0.007 0.000 0.821 79 E CB 0.296 30.000 29.700 0.006 0.000 0.777 79 E HN 0.761 nan 8.360 nan 0.000 0.460 80 D N -0.338 120.068 120.400 0.010 0.000 2.575 80 D HA 0.226 4.867 4.640 0.001 0.000 0.236 80 D C -0.854 175.454 176.300 0.013 0.000 1.075 80 D CA -0.510 53.497 54.000 0.012 0.000 0.860 80 D CB 1.315 42.123 40.800 0.013 0.000 1.475 80 D HN -0.133 nan 8.370 nan 0.000 0.474 81 I N 1.929 122.509 120.570 0.016 0.000 2.619 81 I HA 0.323 4.493 4.170 0.001 0.000 0.292 81 I C 0.033 176.163 176.117 0.022 0.000 1.100 81 I CA -0.549 60.761 61.300 0.017 0.000 1.043 81 I CB 1.598 39.607 38.000 0.015 0.000 1.239 81 I HN 0.526 nan 8.210 nan 0.000 0.420 82 T N 0.231 114.796 114.554 0.019 0.000 2.883 82 T HA 0.633 4.984 4.350 0.001 0.000 0.301 82 T C 0.759 175.467 174.700 0.013 0.000 1.158 82 T CA -0.259 61.851 62.100 0.016 0.000 1.007 82 T CB 2.197 71.069 68.868 0.007 0.000 1.186 82 T HN 0.586 nan 8.240 nan 0.000 0.499 83 A N 1.097 123.920 122.820 0.005 0.000 1.908 83 A HA 0.204 4.524 4.320 0.001 0.000 0.218 83 A C 2.532 180.121 177.584 0.009 0.000 1.181 83 A CA 2.085 54.127 52.037 0.007 0.000 0.627 83 A CB -1.472 17.520 19.000 -0.013 0.000 0.818 83 A HN 1.384 nan 8.150 nan 0.000 0.445 84 A N -0.159 122.659 122.820 -0.003 0.000 1.933 84 A HA -0.170 4.151 4.320 0.001 0.000 0.218 84 A C 2.034 179.623 177.584 0.009 0.000 1.175 84 A CA 1.807 53.844 52.037 -0.000 0.000 0.628 84 A CB -0.397 18.597 19.000 -0.010 0.000 0.814 84 A HN 0.568 nan 8.150 nan 0.000 0.444 85 K N -0.314 120.092 120.400 0.010 0.000 2.432 85 K HA 0.105 4.426 4.320 0.001 0.000 0.196 85 K C 1.565 178.178 176.600 0.022 0.000 1.038 85 K CA 0.601 56.896 56.287 0.013 0.000 0.986 85 K CB -0.081 32.426 32.500 0.011 0.000 0.782 85 K HN 0.296 nan 8.250 nan 0.000 0.485 86 V N 1.368 121.298 119.914 0.027 0.000 2.324 86 V HA -0.304 3.816 4.120 0.001 0.000 0.250 86 V C 2.072 178.195 176.094 0.049 0.000 1.060 86 V CA 2.162 64.486 62.300 0.040 0.000 1.042 86 V CB -0.650 31.199 31.823 0.043 0.000 0.650 86 V HN 0.395 nan 8.190 nan 0.000 0.450 87 T N 0.560 115.139 114.554 0.041 0.000 2.622 87 T HA -0.106 4.244 4.350 0.001 0.000 0.266 87 T C 0.027 174.746 174.700 0.031 0.000 1.047 87 T CA 2.125 64.249 62.100 0.041 0.000 1.159 87 T CB -1.350 67.536 68.868 0.031 0.000 0.863 87 T HN 0.484 nan 8.240 nan 0.000 0.422 88 P HA 0.033 nan 4.420 nan 0.000 0.217 88 P C 1.559 178.858 177.300 -0.002 0.000 1.150 88 P CA 0.913 64.014 63.100 0.002 0.000 0.832 88 P CB -0.264 31.436 31.700 -0.001 0.000 0.787 89 L N -1.505 119.728 121.223 0.017 0.000 2.275 89 L HA -0.051 4.290 4.340 0.001 0.000 0.215 89 L C 2.140 179.039 176.870 0.048 0.000 1.119 89 L CA 1.021 55.876 54.840 0.025 0.000 0.790 89 L CB -0.446 41.639 42.059 0.043 0.000 0.919 89 L HN -0.065 nan 8.230 nan 0.000 0.443 90 L N -1.597 119.675 121.223 0.081 0.000 2.693 90 L HA 0.220 4.560 4.340 0.001 0.000 0.235 90 L C 2.326 179.254 176.870 0.095 0.000 1.127 90 L CA -0.061 54.897 54.840 0.197 0.000 0.914 90 L CB -0.139 42.070 42.059 0.251 0.000 1.193 90 L HN 0.062 nan 8.230 nan 0.000 0.502 91 A N 1.441 124.252 122.820 -0.015 0.000 2.024 91 A HA -0.203 4.118 4.320 0.001 0.000 0.220 91 A C 2.356 179.860 177.584 -0.134 0.000 1.164 91 A CA 1.601 53.612 52.037 -0.042 0.000 0.643 91 A CB -0.318 18.660 19.000 -0.037 0.000 0.806 91 A HN 0.466 nan 8.150 nan 0.000 0.451 92 K N -0.558 119.641 120.400 -0.336 0.000 2.362 92 K HA -0.059 4.261 4.320 0.001 0.000 0.200 92 K C -0.518 175.825 176.600 -0.428 0.000 1.046 92 K CA 0.414 56.439 56.287 -0.436 0.000 0.952 92 K CB -0.373 31.794 32.500 -0.555 0.000 0.753 92 K HN 0.414 nan 8.250 nan 0.000 0.466 93 F N 3.347 123.297 119.950 -0.001 0.000 2.404 93 F HA 0.270 4.798 4.527 0.001 0.000 0.358 93 F C 0.500 176.313 175.800 0.021 0.000 1.120 93 F CA -1.242 56.746 58.000 -0.019 0.000 1.144 93 F CB 0.930 39.911 39.000 -0.032 0.000 1.133 93 F HN -0.318 nan 8.300 nan 0.000 0.495 94 K N 2.814 123.323 120.400 0.181 0.000 2.350 94 K HA 0.399 4.720 4.320 0.001 0.000 0.279 94 K C 0.850 177.548 176.600 0.164 0.000 1.027 94 K CA 0.433 56.792 56.287 0.121 0.000 0.969 94 K CB 0.601 33.137 32.500 0.060 0.000 0.954 94 K HN 0.887 nan 8.250 nan 0.000 0.474 95 G N 2.165 111.010 108.800 0.075 0.000 2.556 95 G HA2 -0.359 3.602 3.960 0.001 0.000 0.283 95 G HA3 -0.359 3.602 3.960 0.001 0.000 0.283 95 G C -0.261 174.671 174.900 0.053 0.000 1.177 95 G CA 0.309 45.399 45.100 -0.016 0.000 0.978 95 G HN 0.899 nan 8.290 nan 0.000 0.554 96 H N 0.440 119.516 119.070 0.009 0.000 2.655 96 H HA -0.188 4.368 4.556 0.001 0.000 0.313 96 H C 2.114 177.451 175.328 0.015 0.000 1.141 96 H CA 1.398 57.448 56.048 0.004 0.000 1.138 96 H CB -0.900 28.856 29.762 -0.010 0.000 1.446 96 H HN 0.668 nan 8.280 nan 0.000 0.415 97 R N 0.017 120.548 120.500 0.051 0.000 2.091 97 R HA -0.141 4.199 4.340 0.001 0.000 0.238 97 R C 2.452 178.780 176.300 0.048 0.000 1.136 97 R CA 1.913 58.039 56.100 0.044 0.000 0.959 97 R CB -0.094 30.214 30.300 0.014 0.000 0.856 97 R HN 0.341 nan 8.270 nan 0.000 0.437 98 M N 0.015 119.642 119.600 0.045 0.000 2.086 98 M HA -0.149 4.331 4.480 0.001 0.000 0.261 98 M C 2.591 178.924 176.300 0.055 0.000 1.067 98 M CA 1.834 57.160 55.300 0.044 0.000 1.116 98 M CB -0.367 32.259 32.600 0.043 0.000 1.348 98 M HN 0.256 nan 8.290 nan 0.000 0.407 99 A N 0.696 123.559 122.820 0.072 0.000 1.877 99 A HA -0.191 4.130 4.320 0.001 0.000 0.216 99 A C 2.107 179.724 177.584 0.056 0.000 1.186 99 A CA 1.832 53.906 52.037 0.060 0.000 0.620 99 A CB -0.571 18.467 19.000 0.064 0.000 0.822 99 A HN 0.448 nan 8.150 nan 0.000 0.443 100 K N -0.832 119.613 120.400 0.074 0.000 2.097 100 K HA -0.084 4.236 4.320 0.001 0.000 0.206 100 K C 2.119 178.762 176.600 0.071 0.000 1.049 100 K CA 1.043 57.373 56.287 0.072 0.000 0.933 100 K CB -0.442 32.111 32.500 0.089 0.000 0.717 100 K HN 0.470 nan 8.250 nan 0.000 0.442 101 G N 1.344 110.185 108.800 0.067 0.000 2.422 101 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 101 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 101 G C 1.643 176.616 174.900 0.122 0.000 1.146 101 G CA 0.935 46.080 45.100 0.076 0.000 0.769 101 G HN 0.347 nan 8.290 nan 0.000 0.547 102 A N 0.388 123.269 122.820 0.101 0.000 1.902 102 A HA 0.064 4.385 4.320 0.001 0.000 0.217 102 A C 2.342 179.990 177.584 0.106 0.000 1.181 102 A CA 1.665 53.772 52.037 0.115 0.000 0.623 102 A CB -0.457 18.592 19.000 0.081 0.000 0.818 102 A HN 0.404 nan 8.150 nan 0.000 0.443 103 L N 0.197 121.463 121.223 0.071 0.000 2.017 103 L HA -0.135 4.206 4.340 0.001 0.000 0.208 103 L C 2.316 179.227 176.870 0.069 0.000 1.073 103 L CA 2.630 57.498 54.840 0.046 0.000 0.745 103 L CB -0.706 41.365 42.059 0.020 0.000 0.894 103 L HN 0.617 nan 8.230 nan 0.000 0.432 104 E N -0.841 119.413 120.200 0.091 0.000 2.110 104 E HA -0.286 4.065 4.350 0.001 0.000 0.193 104 E C 2.221 178.913 176.600 0.153 0.000 0.988 104 E CA 1.467 57.929 56.400 0.103 0.000 0.804 104 E CB -0.183 29.579 29.700 0.103 0.000 0.745 104 E HN 0.596 nan 8.360 nan 0.000 0.458 105 M N 0.375 120.105 119.600 0.216 0.000 2.080 105 M HA -0.186 4.295 4.480 0.001 0.000 0.260 105 M C 2.271 178.718 176.300 0.246 0.000 1.068 105 M CA 1.941 57.424 55.300 0.306 0.000 1.109 105 M CB -0.151 32.654 32.600 0.341 0.000 1.342 105 M HN 0.199 nan 8.290 nan 0.000 0.405 106 A N -0.474 122.442 122.820 0.159 0.000 1.902 106 A HA -0.120 4.201 4.320 0.001 0.000 0.217 106 A C 2.034 179.666 177.584 0.081 0.000 1.181 106 A CA 1.871 53.969 52.037 0.102 0.000 0.623 106 A CB -1.097 17.918 19.000 0.025 0.000 0.818 106 A HN 0.436 nan 8.150 nan 0.000 0.443 107 V N -0.375 119.582 119.914 0.071 0.000 2.307 107 V HA -0.216 3.905 4.120 0.001 0.000 0.245 107 V C 2.481 178.616 176.094 0.068 0.000 1.045 107 V CA 1.919 64.250 62.300 0.053 0.000 1.024 107 V CB -0.731 31.116 31.823 0.040 0.000 0.651 107 V HN 0.589 nan 8.190 nan 0.000 0.449 108 L N 0.691 121.962 121.223 0.079 0.000 2.046 108 L HA -0.175 4.165 4.340 0.001 0.000 0.208 108 L C 2.070 179.000 176.870 0.099 0.000 1.077 108 L CA 2.445 57.296 54.840 0.018 0.000 0.747 108 L CB -0.851 41.173 42.059 -0.058 0.000 0.896 108 L HN 0.432 nan 8.230 nan 0.000 0.432 109 D N -0.728 119.842 120.400 0.283 0.000 2.117 109 D HA -0.150 4.491 4.640 0.001 0.000 0.198 109 D C 2.107 178.532 176.300 0.208 0.000 0.982 109 D CA 1.392 55.621 54.000 0.382 0.000 0.828 109 D CB 0.012 41.003 40.800 0.319 0.000 0.967 109 D HN 0.414 nan 8.370 nan 0.000 0.464 110 A N 0.322 123.221 122.820 0.132 0.000 1.898 110 A HA -0.163 4.157 4.320 0.001 0.000 0.216 110 A C 2.166 179.806 177.584 0.094 0.000 1.181 110 A CA 1.789 53.878 52.037 0.087 0.000 0.620 110 A CB -0.767 18.258 19.000 0.041 0.000 0.819 110 A HN 0.427 nan 8.150 nan 0.000 0.442 111 E N -0.004 120.255 120.200 0.099 0.000 2.051 111 E HA -0.163 4.187 4.350 0.001 0.000 0.192 111 E C 1.924 178.644 176.600 0.200 0.000 0.991 111 E CA 1.156 57.634 56.400 0.130 0.000 0.799 111 E CB -0.237 29.515 29.700 0.086 0.000 0.748 111 E HN 0.597 nan 8.360 nan 0.000 0.449 112 L N 0.290 121.593 121.223 0.132 0.000 2.083 112 L HA -0.154 4.186 4.340 0.001 0.000 0.209 112 L C 2.818 179.783 176.870 0.158 0.000 1.083 112 L CA 1.172 56.090 54.840 0.129 0.000 0.752 112 L CB -0.383 41.717 42.059 0.068 0.000 0.899 112 L HN 0.154 nan 8.230 nan 0.000 0.433 113 R N -0.079 120.506 120.500 0.142 0.000 2.075 113 R HA -0.115 4.225 4.340 0.001 0.000 0.232 113 R C 2.412 178.752 176.300 0.067 0.000 1.126 113 R CA 1.252 57.416 56.100 0.107 0.000 0.963 113 R CB -0.451 29.911 30.300 0.103 0.000 0.858 113 R HN 0.322 nan 8.270 nan 0.000 0.435 114 A N 0.567 123.415 122.820 0.047 0.000 2.024 114 A HA -0.178 4.142 4.320 0.001 0.000 0.220 114 A C 1.113 178.599 177.584 -0.163 0.000 1.164 114 A CA 1.475 53.471 52.037 -0.067 0.000 0.643 114 A CB -0.450 18.479 19.000 -0.118 0.000 0.806 114 A HN 0.386 nan 8.150 nan 0.000 0.451 115 H N -1.594 117.488 119.070 0.019 0.000 2.549 115 H HA 0.329 4.885 4.556 0.001 0.000 0.279 115 H C -0.070 175.269 175.328 0.018 0.000 1.018 115 H CA 0.258 56.314 56.048 0.014 0.000 1.175 115 H CB 0.156 29.922 29.762 0.005 0.000 1.485 115 H HN 0.584 nan 8.280 nan 0.000 0.543 116 E N 0.490 120.754 120.200 0.106 0.000 2.360 116 E HA -0.265 4.086 4.350 0.001 0.000 0.238 116 E C -0.033 176.620 176.600 0.088 0.000 1.186 116 E CA 0.220 56.668 56.400 0.080 0.000 0.719 116 E CB -0.533 29.199 29.700 0.054 0.000 1.236 116 E HN 0.444 nan 8.360 nan 0.000 0.386 117 R N 0.374 120.937 120.500 0.104 0.000 2.740 117 R HA 0.496 4.837 4.340 0.001 0.000 0.282 117 R C -0.303 176.054 176.300 0.095 0.000 0.969 117 R CA -0.102 56.046 56.100 0.079 0.000 0.918 117 R CB 1.272 31.606 30.300 0.056 0.000 1.175 117 R HN 0.131 nan 8.270 nan 0.000 0.464 118 S N 2.126 117.881 115.700 0.092 0.000 2.652 118 S HA 0.234 4.704 4.470 0.001 0.000 0.270 118 S C 0.843 175.549 174.600 0.178 0.000 1.243 118 S CA -0.662 57.627 58.200 0.149 0.000 0.999 118 S CB 0.683 63.952 63.200 0.115 0.000 0.973 118 S HN 0.547 nan 8.310 nan 0.000 0.544 119 F N 1.341 121.273 119.950 -0.029 0.000 2.126 119 F HA -0.053 4.474 4.527 0.001 0.000 0.299 119 F C 2.803 178.575 175.800 -0.047 0.000 1.096 119 F CA 1.545 59.509 58.000 -0.059 0.000 1.255 119 F CB -1.203 37.727 39.000 -0.117 0.000 0.997 119 F HN 0.812 nan 8.300 nan 0.000 0.479 120 A N -0.175 122.751 122.820 0.177 0.000 1.917 120 A HA -0.163 4.157 4.320 0.001 0.000 0.219 120 A C 2.449 180.054 177.584 0.036 0.000 1.182 120 A CA 2.136 54.221 52.037 0.080 0.000 0.633 120 A CB -1.408 17.631 19.000 0.065 0.000 0.819 120 A HN 0.344 nan 8.150 nan 0.000 0.448 121 A N -0.501 122.340 122.820 0.035 0.000 1.877 121 A HA -0.153 4.167 4.320 0.001 0.000 0.216 121 A C 1.987 179.561 177.584 -0.017 0.000 1.186 121 A CA 2.174 54.218 52.037 0.012 0.000 0.620 121 A CB -0.514 18.496 19.000 0.017 0.000 0.822 121 A HN 0.553 nan 8.150 nan 0.000 0.443 122 E N 0.237 120.410 120.200 -0.045 0.000 2.077 122 E HA -0.113 4.237 4.350 0.001 0.000 0.193 122 E C 1.704 178.257 176.600 -0.079 0.000 0.989 122 E CA 1.303 57.645 56.400 -0.096 0.000 0.800 122 E CB -0.370 29.210 29.700 -0.201 0.000 0.746 122 E HN 0.601 nan 8.360 nan 0.000 0.452 123 L N -1.307 119.879 121.223 -0.060 0.000 2.478 123 L HA 0.208 4.548 4.340 0.001 0.000 0.223 123 L C 1.285 178.138 176.870 -0.028 0.000 1.140 123 L CA 0.440 55.259 54.840 -0.035 0.000 0.842 123 L CB -0.115 41.943 42.059 -0.000 0.000 0.953 123 L HN 0.415 nan 8.230 nan 0.000 0.452 124 G N 0.362 109.151 108.800 -0.018 0.000 2.164 124 G HA2 -0.247 3.714 3.960 0.001 0.000 0.212 124 G HA3 -0.247 3.714 3.960 0.001 0.000 0.212 124 G C 0.250 175.149 174.900 -0.001 0.000 1.031 124 G CA 0.243 45.339 45.100 -0.006 0.000 0.730 124 G HN 0.256 nan 8.290 nan 0.000 0.501 125 S N -1.001 114.699 115.700 0.001 0.000 2.563 125 S HA 0.369 4.840 4.470 0.001 0.000 0.284 125 S C 1.641 176.258 174.600 0.029 0.000 1.331 125 S CA 0.909 59.115 58.200 0.009 0.000 1.047 125 S CB 1.172 64.380 63.200 0.013 0.000 0.859 125 S HN 1.644 nan 8.310 nan 0.000 0.514 126 V N 1.896 121.836 119.914 0.044 0.000 3.398 126 V HA 0.552 4.672 4.120 0.001 0.000 0.298 126 V C 0.384 176.512 176.094 0.057 0.000 1.496 126 V CA -0.333 61.999 62.300 0.054 0.000 1.044 126 V CB -0.552 31.314 31.823 0.071 0.000 0.880 126 V HN 0.695 nan 8.190 nan 0.000 0.443 127 R N 0.427 120.961 120.500 0.056 0.000 2.725 127 R HA 0.505 4.846 4.340 0.001 0.000 0.277 127 R C -0.608 175.727 176.300 0.059 0.000 0.987 127 R CA -0.437 55.702 56.100 0.064 0.000 0.901 127 R CB 2.096 32.444 30.300 0.081 0.000 1.207 127 R HN 0.096 nan 8.270 nan 0.000 0.463 128 D N 0.024 120.463 120.400 0.064 0.000 2.350 128 D HA 0.012 4.652 4.640 0.001 0.000 0.213 128 D C 0.236 176.587 176.300 0.084 0.000 1.031 128 D CA 0.714 54.751 54.000 0.062 0.000 0.861 128 D CB 0.613 41.441 40.800 0.047 0.000 0.926 128 D HN 0.450 nan 8.370 nan 0.000 0.520 129 S N -0.257 115.514 115.700 0.118 0.000 2.565 129 S HA 0.579 5.049 4.470 0.001 0.000 0.269 129 S C -0.941 173.782 174.600 0.204 0.000 1.153 129 S CA -0.854 57.455 58.200 0.182 0.000 0.835 129 S CB 2.113 65.454 63.200 0.235 0.000 1.122 129 S HN -0.009 nan 8.310 nan 0.000 0.462 130 V N -1.501 118.485 119.914 0.119 0.000 2.789 130 V HA 0.869 4.990 4.120 0.001 0.000 0.311 130 V C -3.103 172.680 176.094 -0.517 0.000 1.073 130 V CA -2.640 59.606 62.300 -0.090 0.000 0.921 130 V CB 1.730 33.522 31.823 -0.052 0.000 1.009 130 V HN 0.823 nan 8.190 nan 0.000 0.426 131 P HA 0.346 nan 4.420 nan 0.000 0.276 131 P C -0.612 176.534 177.300 -0.256 0.000 1.230 131 P CA -0.054 62.609 63.100 -0.727 0.000 0.776 131 P CB 0.867 32.376 31.700 -0.317 0.000 0.888 132 C N 3.172 122.386 119.300 -0.143 0.000 2.417 132 C HA 0.774 5.235 4.460 0.001 0.000 0.324 132 C C 1.055 176.129 174.990 0.140 0.000 1.240 132 C CA -0.125 58.911 59.018 0.031 0.000 1.632 132 C CB 1.270 29.073 27.740 0.104 0.000 2.241 132 C HN 0.698 nan 8.230 nan 0.000 0.499 133 G N 0.780 109.621 108.800 0.068 0.000 2.552 133 G HA2 0.676 4.636 3.960 0.001 0.000 0.324 133 G HA3 0.676 4.636 3.960 0.001 0.000 0.324 133 G C -1.270 173.509 174.900 -0.202 0.000 1.217 133 G CA -0.320 44.769 45.100 -0.018 0.000 0.989 133 G HN 0.761 nan 8.290 nan 0.000 0.490 134 V N -0.596 119.067 119.914 -0.419 0.000 2.735 134 V HA 0.727 4.848 4.120 0.001 0.000 0.310 134 V C -0.290 175.545 176.094 -0.431 0.000 1.061 134 V CA -0.736 61.128 62.300 -0.727 0.000 0.913 134 V CB 2.151 33.072 31.823 -1.503 0.000 1.005 134 V HN 0.825 nan 8.190 nan 0.000 0.428 135 S N 5.027 120.523 115.700 -0.340 0.000 2.422 135 S HA 0.650 5.120 4.470 0.001 0.000 0.308 135 S C -0.827 173.773 174.600 0.001 0.000 1.097 135 S CA -0.493 57.666 58.200 -0.068 0.000 1.099 135 S CB 0.730 63.991 63.200 0.102 0.000 0.976 135 S HN 0.707 nan 8.310 nan 0.000 0.471 136 V N 5.280 125.231 119.914 0.060 0.000 2.435 136 V HA 0.622 4.743 4.120 0.001 0.000 0.290 136 V C 1.271 177.482 176.094 0.196 0.000 1.030 136 V CA -0.529 61.865 62.300 0.157 0.000 0.881 136 V CB 1.243 33.139 31.823 0.120 0.000 0.983 136 V HN 0.936 nan 8.190 nan 0.000 0.445 137 G N 3.538 112.433 108.800 0.158 0.000 2.588 137 G HA2 0.534 4.494 3.960 0.001 0.000 0.278 137 G HA3 0.534 4.494 3.960 0.001 0.000 0.278 137 G C -0.174 174.683 174.900 -0.073 0.000 1.307 137 G CA -0.830 44.167 45.100 -0.172 0.000 1.016 137 G HN 0.638 nan 8.290 nan 0.000 0.503 138 I N 0.932 121.345 120.570 -0.262 0.000 2.556 138 I HA 0.091 4.261 4.170 0.001 0.000 0.284 138 I C 0.404 176.163 176.117 -0.596 0.000 1.114 138 I CA -0.089 60.901 61.300 -0.517 0.000 1.418 138 I CB 0.935 38.534 38.000 -0.669 0.000 1.394 138 I HN 0.123 nan 8.210 nan 0.000 0.552 139 M N 3.971 123.061 119.600 -0.851 0.000 2.649 139 M HA 0.245 4.726 4.480 0.001 0.000 0.294 139 M C 0.849 176.728 176.300 -0.700 0.000 1.206 139 M CA -0.428 54.566 55.300 -0.512 0.000 0.928 139 M CB 0.902 33.485 32.600 -0.028 0.000 1.571 139 M HN 0.457 nan 8.290 nan 0.000 0.501 140 D N 0.588 120.805 120.400 -0.306 0.000 2.162 140 D HA -0.004 4.636 4.640 0.001 0.000 0.203 140 D C 0.665 176.919 176.300 -0.077 0.000 0.967 140 D CA 1.182 55.056 54.000 -0.209 0.000 0.840 140 D CB 0.560 41.293 40.800 -0.111 0.000 0.972 140 D HN 0.741 nan 8.370 nan 0.000 0.482 141 T N -2.701 111.881 114.554 0.046 0.000 2.883 141 T HA 0.335 4.686 4.350 0.001 0.000 0.296 141 T C 1.053 175.963 174.700 0.350 0.000 1.117 141 T CA -0.772 61.442 62.100 0.189 0.000 1.006 141 T CB 1.523 70.454 68.868 0.104 0.000 1.191 141 T HN -0.306 nan 8.240 nan 0.000 0.508 142 I N 1.072 121.820 120.570 0.296 0.000 2.286 142 I HA 0.088 4.259 4.170 0.001 0.000 0.245 142 I C -0.783 175.416 176.117 0.137 0.000 1.104 142 I CA 0.108 61.528 61.300 0.200 0.000 1.397 142 I CB -2.226 35.805 38.000 0.050 0.000 1.072 142 I HN 0.539 nan 8.210 nan 0.000 0.417 143 P HA -0.213 nan 4.420 nan 0.000 0.215 143 P C 1.715 179.071 177.300 0.093 0.000 1.157 143 P CA 1.558 64.700 63.100 0.071 0.000 0.868 143 P CB -0.176 31.553 31.700 0.048 0.000 0.788 144 Q N -0.197 119.664 119.800 0.102 0.000 2.077 144 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 144 Q C 2.096 178.171 176.000 0.124 0.000 0.989 144 Q CA 1.755 57.614 55.803 0.092 0.000 0.853 144 Q CB -1.123 27.660 28.738 0.076 0.000 0.907 144 Q HN 0.120 nan 8.270 nan 0.000 0.418 145 L N 0.299 121.640 121.223 0.197 0.000 2.046 145 L HA -0.129 4.211 4.340 0.001 0.000 0.208 145 L C 2.177 179.160 176.870 0.189 0.000 1.077 145 L CA 1.602 56.579 54.840 0.228 0.000 0.747 145 L CB -0.374 41.890 42.059 0.341 0.000 0.896 145 L HN 0.399 nan 8.230 nan 0.000 0.432 146 L N -0.484 120.857 121.223 0.197 0.000 2.079 146 L HA -0.219 4.122 4.340 0.001 0.000 0.210 146 L C 2.225 179.295 176.870 0.333 0.000 1.081 146 L CA 1.279 56.300 54.840 0.302 0.000 0.752 146 L CB -0.963 41.196 42.059 0.166 0.000 0.896 146 L HN 0.355 nan 8.230 nan 0.000 0.433 147 D N -0.187 120.316 120.400 0.171 0.000 2.077 147 D HA -0.141 4.500 4.640 0.001 0.000 0.196 147 D C 2.368 178.687 176.300 0.031 0.000 0.986 147 D CA 1.060 55.125 54.000 0.109 0.000 0.829 147 D CB -0.543 40.287 40.800 0.050 0.000 0.983 147 D HN 0.030 nan 8.370 nan 0.000 0.453 148 V N 1.094 121.001 119.914 -0.012 0.000 2.250 148 V HA -0.266 3.855 4.120 0.001 0.000 0.250 148 V C 2.704 178.679 176.094 -0.198 0.000 1.060 148 V CA 1.420 63.634 62.300 -0.143 0.000 1.030 148 V CB -0.599 31.214 31.823 -0.017 0.000 0.643 148 V HN 0.057 nan 8.190 nan 0.000 0.445 149 V N 0.541 120.436 119.914 -0.032 0.000 2.343 149 V HA -0.205 3.915 4.120 0.001 0.000 0.247 149 V C 2.604 178.515 176.094 -0.305 0.000 1.051 149 V CA 2.211 64.442 62.300 -0.115 0.000 1.036 149 V CB -1.408 30.274 31.823 -0.234 0.000 0.654 149 V HN 0.640 nan 8.190 nan 0.000 0.451 150 G N -0.027 108.658 108.800 -0.192 0.000 2.440 150 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 150 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 150 G C 1.638 176.516 174.900 -0.037 0.000 1.154 150 G CA 0.988 46.078 45.100 -0.018 0.000 0.767 150 G HN 0.586 nan 8.290 nan 0.000 0.552 151 G N -0.054 108.682 108.800 -0.108 0.000 2.446 151 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 151 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 151 G C 1.615 176.440 174.900 -0.125 0.000 1.168 151 G CA 0.960 45.962 45.100 -0.164 0.000 0.771 151 G HN 0.515 nan 8.290 nan 0.000 0.551 152 Y N 0.348 120.648 120.300 -0.001 0.000 2.145 152 Y HA -0.034 4.517 4.550 0.001 0.000 0.286 152 Y C 2.858 178.844 175.900 0.143 0.000 1.145 152 Y CA 0.503 58.660 58.100 0.095 0.000 1.148 152 Y CB -0.223 38.203 38.460 -0.057 0.000 0.981 152 Y HN 0.056 nan 8.280 nan 0.000 0.507 153 L N -0.190 121.124 121.223 0.152 0.000 2.079 153 L HA -0.284 4.056 4.340 0.001 0.000 0.210 153 L C 1.791 178.705 176.870 0.074 0.000 1.081 153 L CA 1.236 56.115 54.840 0.065 0.000 0.752 153 L CB -0.447 41.560 42.059 -0.086 0.000 0.896 153 L HN 0.277 nan 8.230 nan 0.000 0.433 154 D N -0.143 120.295 120.400 0.064 0.000 2.144 154 D HA -0.157 4.484 4.640 0.001 0.000 0.200 154 D C 2.032 178.356 176.300 0.040 0.000 0.978 154 D CA 0.973 55.001 54.000 0.046 0.000 0.833 154 D CB -0.039 40.780 40.800 0.031 0.000 0.961 154 D HN 0.401 nan 8.370 nan 0.000 0.470 155 E N -0.340 119.906 120.200 0.077 0.000 2.338 155 E HA 0.032 4.382 4.350 0.001 0.000 0.197 155 E C 1.180 177.722 176.600 -0.096 0.000 1.007 155 E CA 0.684 57.095 56.400 0.018 0.000 0.849 155 E CB 0.124 29.887 29.700 0.104 0.000 0.774 155 E HN 0.331 nan 8.360 nan 0.000 0.506 156 G N 0.342 109.118 108.800 -0.040 0.000 2.154 156 G HA2 -0.255 3.706 3.960 0.001 0.000 0.186 156 G HA3 -0.255 3.706 3.960 0.001 0.000 0.186 156 G C -0.242 174.584 174.900 -0.123 0.000 1.000 156 G CA -0.452 44.598 45.100 -0.083 0.000 0.664 156 G HN 0.207 nan 8.290 nan 0.000 0.513 157 Y N 0.150 120.463 120.300 0.022 0.000 2.511 157 Y HA 0.247 4.798 4.550 0.001 0.000 0.332 157 Y C 1.983 177.869 175.900 -0.023 0.000 1.177 157 Y CA 0.570 58.661 58.100 -0.015 0.000 1.422 157 Y CB 1.315 39.744 38.460 -0.052 0.000 1.271 157 Y HN 0.348 nan 8.280 nan 0.000 0.550 158 V N 1.129 121.122 119.914 0.133 0.000 3.461 158 V HA 0.187 4.308 4.120 0.001 0.000 0.267 158 V C 0.469 176.576 176.094 0.022 0.000 1.186 158 V CA 0.732 63.067 62.300 0.059 0.000 1.154 158 V CB -0.338 31.507 31.823 0.037 0.000 0.802 158 V HN 0.789 nan 8.190 nan 0.000 0.474 159 R N 0.100 120.607 120.500 0.012 0.000 2.664 159 R HA 0.461 4.801 4.340 0.001 0.000 0.266 159 R C -2.246 173.997 176.300 -0.096 0.000 1.046 159 R CA -0.781 55.285 56.100 -0.057 0.000 0.885 159 R CB 1.994 32.232 30.300 -0.104 0.000 1.254 159 R HN 0.188 nan 8.270 nan 0.000 0.465 160 I N 3.252 123.756 120.570 -0.111 0.000 2.433 160 I HA 0.379 4.550 4.170 0.001 0.000 0.292 160 I C -0.251 175.795 176.117 -0.118 0.000 1.001 160 I CA -0.686 60.536 61.300 -0.130 0.000 1.119 160 I CB 1.615 39.547 38.000 -0.113 0.000 1.289 160 I HN 0.594 nan 8.210 nan 0.000 0.438 161 K N 7.343 127.675 120.400 -0.112 0.000 2.270 161 K HA 0.740 5.061 4.320 0.001 0.000 0.255 161 K C -1.831 174.770 176.600 0.002 0.000 0.936 161 K CA -0.592 55.659 56.287 -0.060 0.000 0.809 161 K CB 1.824 34.292 32.500 -0.053 0.000 1.131 161 K HN 0.569 nan 8.250 nan 0.000 0.427 162 L N 3.185 124.427 121.223 0.031 0.000 2.322 162 L HA 0.436 4.777 4.340 0.001 0.000 0.281 162 L C -0.344 176.600 176.870 0.124 0.000 1.014 162 L CA -1.346 53.543 54.840 0.081 0.000 0.815 162 L CB 1.569 43.661 42.059 0.055 0.000 1.247 162 L HN 0.521 nan 8.230 nan 0.000 0.421 163 K N 3.911 124.400 120.400 0.148 0.000 2.368 163 K HA 0.473 4.794 4.320 0.001 0.000 0.282 163 K C -0.443 176.300 176.600 0.240 0.000 1.035 163 K CA 0.104 56.467 56.287 0.126 0.000 0.973 163 K CB 0.441 32.923 32.500 -0.030 0.000 0.957 163 K HN 0.556 nan 8.250 nan 0.000 0.474 164 I N -1.191 119.522 120.570 0.239 0.000 3.108 164 I HA 0.703 4.874 4.170 0.001 0.000 0.312 164 I C -0.523 175.773 176.117 0.299 0.000 1.095 164 I CA -0.851 60.649 61.300 0.334 0.000 1.000 164 I CB 2.444 40.605 38.000 0.269 0.000 1.229 164 I HN 0.684 nan 8.210 nan 0.000 0.454 165 E N 1.965 122.357 120.200 0.321 0.000 2.417 165 E HA 0.443 4.794 4.350 0.001 0.000 0.280 165 E C -3.147 173.501 176.600 0.079 0.000 1.112 165 E CA -1.889 54.558 56.400 0.077 0.000 0.863 165 E CB 1.688 31.379 29.700 -0.015 0.000 1.346 165 E HN 0.311 nan 8.360 nan 0.000 0.443 166 P HA 0.151 nan 4.420 nan 0.000 0.266 166 P C 0.508 177.846 177.300 0.064 0.000 1.215 166 P CA 1.777 64.841 63.100 -0.060 0.000 0.763 166 P CB 0.464 32.047 31.700 -0.195 0.000 0.806 167 G N 2.018 110.903 108.800 0.142 0.000 2.176 167 G HA2 -0.178 3.783 3.960 0.001 0.000 0.232 167 G HA3 -0.178 3.783 3.960 0.001 0.000 0.232 167 G C -0.365 174.705 174.900 0.283 0.000 0.986 167 G CA -0.392 44.803 45.100 0.158 0.000 0.643 167 G HN 0.597 nan 8.290 nan 0.000 0.522 168 W N 1.583 122.906 121.300 0.038 0.000 1.409 168 W HA 0.396 5.057 4.660 0.001 0.000 0.317 168 W C -0.191 176.366 176.519 0.063 0.000 0.947 168 W CA 0.413 57.775 57.345 0.027 0.000 1.333 168 W CB 0.267 29.727 29.460 -0.001 0.000 1.459 168 W HN 0.324 nan 8.180 nan 0.000 0.409 169 D N -0.953 119.425 120.400 -0.037 0.000 2.973 169 D HA 0.058 4.698 4.640 0.001 0.000 0.187 169 D C 1.596 177.792 176.300 -0.173 0.000 1.467 169 D CA 0.346 54.321 54.000 -0.042 0.000 1.515 169 D CB 0.182 41.052 40.800 0.115 0.000 1.182 169 D HN -0.160 nan 8.370 nan 0.000 0.213 170 V N 1.132 120.990 119.914 -0.093 0.000 2.332 170 V HA -0.203 3.918 4.120 0.001 0.000 0.248 170 V C 2.290 178.234 176.094 -0.251 0.000 1.055 170 V CA 2.166 64.403 62.300 -0.105 0.000 1.038 170 V CB -0.679 31.168 31.823 0.041 0.000 0.651 170 V HN 0.230 nan 8.190 nan 0.000 0.450 171 E N 0.106 120.167 120.200 -0.233 0.000 2.012 171 E HA -0.158 4.193 4.350 0.001 0.000 0.197 171 E C 0.367 176.721 176.600 -0.411 0.000 1.007 171 E CA 1.914 58.151 56.400 -0.271 0.000 0.816 171 E CB -2.144 27.434 29.700 -0.204 0.000 0.762 171 E HN 0.499 nan 8.360 nan 0.000 0.451 172 P HA -0.126 nan 4.420 nan 0.000 0.217 172 P C 1.895 178.917 177.300 -0.462 0.000 1.151 172 P CA 1.076 63.759 63.100 -0.695 0.000 0.849 172 P CB -0.112 30.818 31.700 -1.283 0.000 0.787 173 V N 0.367 119.987 119.914 -0.489 0.000 2.307 173 V HA -0.215 3.905 4.120 0.001 0.000 0.245 173 V C 2.952 178.603 176.094 -0.739 0.000 1.045 173 V CA 2.067 64.049 62.300 -0.530 0.000 1.024 173 V CB -1.067 30.419 31.823 -0.562 0.000 0.651 173 V HN 0.076 nan 8.190 nan 0.000 0.449 174 R N 0.410 120.376 120.500 -0.890 0.000 2.083 174 R HA -0.184 4.156 4.340 0.001 0.000 0.237 174 R C 2.296 178.396 176.300 -0.334 0.000 1.137 174 R CA 1.868 57.501 56.100 -0.778 0.000 0.951 174 R CB -0.558 29.507 30.300 -0.392 0.000 0.851 174 R HN 0.453 nan 8.270 nan 0.000 0.434 175 A N 0.325 122.985 122.820 -0.268 0.000 1.883 175 A HA -0.140 4.181 4.320 0.001 0.000 0.217 175 A C 2.299 179.829 177.584 -0.090 0.000 1.186 175 A CA 1.888 53.831 52.037 -0.156 0.000 0.624 175 A CB -0.648 18.262 19.000 -0.151 0.000 0.822 175 A HN 0.263 nan 8.150 nan 0.000 0.444 176 V N -0.504 119.371 119.914 -0.065 0.000 2.453 176 V HA -0.156 3.964 4.120 0.001 0.000 0.247 176 V C 2.664 178.841 176.094 0.139 0.000 1.048 176 V CA 2.126 64.507 62.300 0.135 0.000 1.049 176 V CB -0.733 31.148 31.823 0.097 0.000 0.672 176 V HN 0.514 nan 8.190 nan 0.000 0.457 177 R N 0.500 120.995 120.500 -0.008 0.000 2.092 177 R HA -0.140 4.201 4.340 0.001 0.000 0.231 177 R C 2.149 178.476 176.300 0.046 0.000 1.119 177 R CA 1.743 57.870 56.100 0.044 0.000 0.970 177 R CB -0.572 29.744 30.300 0.027 0.000 0.864 177 R HN 0.637 nan 8.270 nan 0.000 0.440 178 E N -0.410 119.784 120.200 -0.009 0.000 2.023 178 E HA -0.246 4.105 4.350 0.001 0.000 0.196 178 E C 2.009 178.561 176.600 -0.080 0.000 1.003 178 E CA 1.925 58.309 56.400 -0.026 0.000 0.809 178 E CB -0.130 29.539 29.700 -0.052 0.000 0.755 178 E HN 0.218 nan 8.360 nan 0.000 0.449 179 R N -0.788 119.612 120.500 -0.167 0.000 2.073 179 R HA -0.062 4.278 4.340 0.001 0.000 0.229 179 R C 1.665 177.682 176.300 -0.472 0.000 1.120 179 R CA 1.704 57.559 56.100 -0.409 0.000 0.967 179 R CB -0.278 29.592 30.300 -0.717 0.000 0.862 179 R HN 0.200 nan 8.270 nan 0.000 0.436 180 F N -0.059 119.887 119.950 -0.007 0.000 2.749 180 F HA 0.450 4.978 4.527 0.001 0.000 0.300 180 F C 1.121 176.926 175.800 0.010 0.000 1.103 180 F CA 0.446 58.449 58.000 0.004 0.000 1.342 180 F CB 0.626 39.631 39.000 0.008 0.000 1.098 180 F HN 0.359 nan 8.300 nan 0.000 0.586 181 G N 0.560 109.443 108.800 0.138 0.000 2.655 181 G HA2 -0.197 3.763 3.960 0.001 0.000 0.680 181 G HA3 -0.197 3.763 3.960 0.001 0.000 0.680 181 G C -0.326 174.634 174.900 0.101 0.000 1.302 181 G CA -0.348 44.810 45.100 0.098 0.000 0.872 181 G HN 0.060 nan 8.290 nan 0.000 0.540 182 D N -0.361 120.086 120.400 0.078 0.000 2.349 182 D HA 0.086 4.727 4.640 0.001 0.000 0.215 182 D C 1.472 177.806 176.300 0.056 0.000 1.016 182 D CA 0.594 54.636 54.000 0.071 0.000 0.870 182 D CB 0.186 41.021 40.800 0.058 0.000 0.917 182 D HN 0.381 nan 8.370 nan 0.000 0.524 183 D N 0.200 120.634 120.400 0.056 0.000 2.289 183 D HA -0.012 4.629 4.640 0.001 0.000 0.207 183 D C 0.624 176.947 176.300 0.039 0.000 0.966 183 D CA 0.195 54.221 54.000 0.044 0.000 0.868 183 D CB 0.779 41.604 40.800 0.042 0.000 0.943 183 D HN 0.014 nan 8.370 nan 0.000 0.514 184 V N 2.004 121.947 119.914 0.047 0.000 2.655 184 V HA -0.051 4.069 4.120 0.001 0.000 0.300 184 V C 0.485 176.584 176.094 0.008 0.000 1.044 184 V CA -0.533 61.783 62.300 0.028 0.000 1.095 184 V CB 0.856 32.700 31.823 0.034 0.000 0.952 184 V HN -0.028 nan 8.190 nan 0.000 0.485 185 L N 5.811 127.026 121.223 -0.013 0.000 2.433 185 L HA 0.338 4.678 4.340 0.001 0.000 0.275 185 L C -0.256 176.582 176.870 -0.053 0.000 1.128 185 L CA 0.650 55.469 54.840 -0.036 0.000 0.875 185 L CB 0.380 42.406 42.059 -0.056 0.000 1.171 185 L HN 0.541 nan 8.230 nan 0.000 0.463 186 L N 4.840 126.037 121.223 -0.045 0.000 2.408 186 L HA 0.670 5.010 4.340 0.001 0.000 0.268 186 L C -0.638 176.200 176.870 -0.052 0.000 0.986 186 L CA -0.070 54.741 54.840 -0.047 0.000 0.820 186 L CB 1.759 43.807 42.059 -0.017 0.000 1.303 186 L HN 0.810 nan 8.230 nan 0.000 0.411 187 Q N 3.583 123.345 119.800 -0.064 0.000 2.534 187 Q HA 0.792 5.132 4.340 0.001 0.000 0.290 187 Q C -1.735 174.256 176.000 -0.016 0.000 0.991 187 Q CA -1.019 54.754 55.803 -0.050 0.000 0.783 187 Q CB 2.322 30.996 28.738 -0.107 0.000 1.470 187 Q HN 0.565 nan 8.270 nan 0.000 0.406 188 V N -1.964 117.964 119.914 0.023 0.000 3.074 188 V HA 0.808 4.929 4.120 0.001 0.000 0.314 188 V C -1.478 174.686 176.094 0.116 0.000 1.117 188 V CA -0.628 61.709 62.300 0.061 0.000 1.014 188 V CB 2.022 33.871 31.823 0.043 0.000 1.057 188 V HN 0.924 nan 8.190 nan 0.000 0.438 189 D N 1.277 121.769 120.400 0.153 0.000 2.736 189 D HA 0.713 5.353 4.640 0.001 0.000 0.243 189 D C 0.267 176.700 176.300 0.221 0.000 1.304 189 D CA 0.202 54.324 54.000 0.202 0.000 0.934 189 D CB 2.045 42.984 40.800 0.232 0.000 1.382 189 D HN 0.896 nan 8.370 nan 0.000 0.571 190 A N 3.525 126.501 122.820 0.260 0.000 2.195 190 A HA 0.157 4.478 4.320 0.001 0.000 0.210 190 A C 0.823 178.562 177.584 0.258 0.000 1.165 190 A CA 0.204 52.436 52.037 0.324 0.000 0.806 190 A CB -0.682 18.627 19.000 0.514 0.000 0.847 190 A HN 0.793 nan 8.150 nan 0.000 0.482 191 N N -0.147 118.714 118.700 0.268 0.000 2.714 191 N HA -0.226 4.514 4.740 0.001 0.000 0.252 191 N C 0.456 176.106 175.510 0.232 0.000 1.014 191 N CA 1.307 54.540 53.050 0.305 0.000 0.735 191 N CB -1.571 37.202 38.487 0.476 0.000 0.924 191 N HN 1.059 nan 8.380 nan 0.000 0.540 192 T N -6.410 108.263 114.554 0.198 0.000 5.975 192 T HA -0.342 4.008 4.350 0.001 0.000 0.273 192 T C 1.092 175.862 174.700 0.117 0.000 2.189 192 T CA 1.613 63.803 62.100 0.149 0.000 3.660 192 T CB -1.794 67.118 68.868 0.073 0.000 1.044 192 T HN 0.854 nan 8.240 nan 0.000 1.166 193 A N -0.232 122.652 122.820 0.108 0.000 2.125 193 A HA 0.383 4.703 4.320 0.001 0.000 0.219 193 A C 0.803 178.249 177.584 -0.230 0.000 1.156 193 A CA 1.182 53.163 52.037 -0.094 0.000 0.671 193 A CB -0.489 18.383 19.000 -0.214 0.000 0.794 193 A HN 0.885 nan 8.150 nan 0.000 0.459 194 Y N -1.011 119.310 120.300 0.034 0.000 2.618 194 Y HA 0.569 5.119 4.550 0.001 0.000 0.326 194 Y C 0.883 176.772 175.900 -0.018 0.000 1.168 194 Y CA -0.479 57.628 58.100 0.010 0.000 1.269 194 Y CB 0.780 39.247 38.460 0.012 0.000 1.388 194 Y HN 0.074 nan 8.280 nan 0.000 0.528 195 T N -2.277 112.372 114.554 0.158 0.000 2.901 195 T HA 0.304 4.654 4.350 0.001 0.000 0.293 195 T C 0.232 174.951 174.700 0.033 0.000 1.084 195 T CA -0.776 61.355 62.100 0.052 0.000 1.008 195 T CB 1.206 70.090 68.868 0.027 0.000 1.170 195 T HN 0.490 nan 8.240 nan 0.000 0.509 196 L N 2.070 123.284 121.223 -0.014 0.000 2.079 196 L HA 0.174 4.514 4.340 0.001 0.000 0.210 196 L C 2.530 179.400 176.870 0.000 0.000 1.081 196 L CA 2.666 57.492 54.840 -0.024 0.000 0.752 196 L CB -1.347 40.692 42.059 -0.033 0.000 0.896 196 L HN 1.022 nan 8.230 nan 0.000 0.433 197 G N -1.292 107.516 108.800 0.013 0.000 2.479 197 G HA2 -0.249 3.712 3.960 0.001 0.000 0.220 197 G HA3 -0.249 3.712 3.960 0.001 0.000 0.220 197 G C 1.065 175.987 174.900 0.036 0.000 1.115 197 G CA 0.852 45.963 45.100 0.020 0.000 0.757 197 G HN 0.477 nan 8.290 nan 0.000 0.560 198 D N 0.646 121.083 120.400 0.061 0.000 2.349 198 D HA 0.207 4.847 4.640 0.001 0.000 0.224 198 D C 2.454 178.774 176.300 0.033 0.000 1.029 198 D CA 0.587 54.643 54.000 0.094 0.000 0.879 198 D CB 0.049 40.995 40.800 0.242 0.000 0.906 198 D HN 0.289 nan 8.370 nan 0.000 0.528 199 A N 2.170 124.992 122.820 0.003 0.000 1.927 199 A HA -0.189 4.132 4.320 0.001 0.000 0.220 199 A C -0.180 177.391 177.584 -0.022 0.000 1.185 199 A CA 1.438 53.462 52.037 -0.022 0.000 0.639 199 A CB -1.416 17.574 19.000 -0.018 0.000 0.820 199 A HN 0.207 nan 8.150 nan 0.000 0.451 200 P HA -0.160 nan 4.420 nan 0.000 0.216 200 P C 1.623 178.923 177.300 0.000 0.000 1.153 200 P CA 1.688 64.787 63.100 -0.002 0.000 0.848 200 P CB -0.068 31.636 31.700 0.007 0.000 0.787 201 Q N 0.042 119.849 119.800 0.012 0.000 2.079 201 Q HA -0.100 4.240 4.340 0.001 0.000 0.200 201 Q C 2.061 178.046 176.000 -0.025 0.000 0.974 201 Q CA 1.579 57.395 55.803 0.022 0.000 0.840 201 Q CB -1.297 27.485 28.738 0.075 0.000 0.898 201 Q HN 0.168 nan 8.270 nan 0.000 0.430 202 L N -0.236 120.935 121.223 -0.086 0.000 2.141 202 L HA -0.052 4.289 4.340 0.001 0.000 0.209 202 L C 2.316 179.145 176.870 -0.068 0.000 1.094 202 L CA 0.882 55.633 54.840 -0.148 0.000 0.763 202 L CB -0.748 41.175 42.059 -0.227 0.000 0.908 202 L HN 0.268 nan 8.230 nan 0.000 0.437 203 A N 0.188 122.981 122.820 -0.044 0.000 2.125 203 A HA -0.173 4.147 4.320 0.001 0.000 0.219 203 A C 2.301 179.871 177.584 -0.023 0.000 1.156 203 A CA 1.120 53.139 52.037 -0.031 0.000 0.671 203 A CB -0.471 18.514 19.000 -0.026 0.000 0.794 203 A HN 0.339 nan 8.150 nan 0.000 0.459 204 R N -0.610 119.887 120.500 -0.004 0.000 2.237 204 R HA 0.049 4.389 4.340 0.001 0.000 0.219 204 R C 1.317 177.657 176.300 0.066 0.000 1.080 204 R CA 0.852 56.965 56.100 0.021 0.000 0.995 204 R CB -0.335 29.995 30.300 0.051 0.000 0.875 204 R HN 0.530 nan 8.270 nan 0.000 0.462 205 L N 0.158 121.429 121.223 0.080 0.000 2.492 205 L HA -0.050 4.290 4.340 0.001 0.000 0.223 205 L C 1.219 178.149 176.870 0.100 0.000 1.132 205 L CA 0.279 55.240 54.840 0.202 0.000 0.850 205 L CB -0.254 41.877 42.059 0.120 0.000 0.966 205 L HN 0.045 nan 8.230 nan 0.000 0.454 206 D N 1.109 121.495 120.400 -0.023 0.000 2.154 206 D HA -0.190 4.450 4.640 0.001 0.000 0.190 206 D C -0.451 175.754 176.300 -0.158 0.000 1.003 206 D CA 1.654 55.611 54.000 -0.072 0.000 0.849 206 D CB -1.477 39.274 40.800 -0.082 0.000 0.942 206 D HN 0.277 nan 8.370 nan 0.000 0.446 207 P HA -0.081 nan 4.420 nan 0.000 0.228 207 P C 1.010 177.944 177.300 -0.610 0.000 1.151 207 P CA 0.742 63.517 63.100 -0.541 0.000 0.770 207 P CB -0.344 30.903 31.700 -0.755 0.000 0.786 208 F N -0.840 119.096 119.950 -0.023 0.000 2.797 208 F HA 0.317 4.845 4.527 0.001 0.000 0.302 208 F C 1.716 177.506 175.800 -0.016 0.000 1.130 208 F CA 0.331 58.319 58.000 -0.020 0.000 1.387 208 F CB -0.792 38.193 39.000 -0.027 0.000 1.107 208 F HN -0.047 nan 8.300 nan 0.000 0.577 209 G N 1.826 110.668 108.800 0.070 0.000 2.305 209 G HA2 -0.312 3.648 3.960 0.001 0.000 0.287 209 G HA3 -0.312 3.648 3.960 0.001 0.000 0.287 209 G C 0.172 175.107 174.900 0.058 0.000 1.036 209 G CA -0.254 44.875 45.100 0.048 0.000 0.887 209 G HN 0.311 nan 8.290 nan 0.000 0.505 210 L N -0.641 120.624 121.223 0.071 0.000 2.461 210 L HA 0.189 4.530 4.340 0.001 0.000 0.272 210 L C 2.311 179.189 176.870 0.013 0.000 1.197 210 L CA -0.667 54.199 54.840 0.043 0.000 0.836 210 L CB 0.441 42.529 42.059 0.048 0.000 1.105 210 L HN 0.110 nan 8.230 nan 0.000 0.477 211 L N 2.789 124.004 121.223 -0.014 0.000 2.083 211 L HA -0.112 4.228 4.340 0.001 0.000 0.209 211 L C 0.144 177.006 176.870 -0.013 0.000 1.083 211 L CA 1.259 56.080 54.840 -0.032 0.000 0.752 211 L CB -0.164 41.839 42.059 -0.092 0.000 0.899 211 L HN 0.577 nan 8.230 nan 0.000 0.433 212 L N -4.190 117.031 121.223 -0.002 0.000 3.079 212 L HA 0.485 4.826 4.340 0.001 0.000 0.278 212 L C -0.994 175.905 176.870 0.048 0.000 1.026 212 L CA -0.681 54.180 54.840 0.035 0.000 0.963 212 L CB 1.783 43.881 42.059 0.065 0.000 1.526 212 L HN -0.173 nan 8.230 nan 0.000 0.397 213 I N 0.791 121.404 120.570 0.072 0.000 2.418 213 I HA 0.522 4.693 4.170 0.001 0.000 0.287 213 I C -0.903 175.291 176.117 0.128 0.000 1.008 213 I CA -0.145 61.202 61.300 0.077 0.000 1.104 213 I CB 1.624 39.646 38.000 0.037 0.000 1.264 213 I HN 0.915 nan 8.210 nan 0.000 0.438 214 E N 6.391 126.692 120.200 0.168 0.000 2.174 214 E HA 0.158 4.508 4.350 0.001 0.000 0.282 214 E C -0.278 176.445 176.600 0.205 0.000 0.992 214 E CA -0.510 56.016 56.400 0.209 0.000 0.803 214 E CB 1.099 30.977 29.700 0.296 0.000 1.090 214 E HN 0.645 nan 8.360 nan 0.000 0.396 215 Q N 3.560 123.468 119.800 0.181 0.000 2.431 215 Q HA -0.165 4.176 4.340 0.001 0.000 0.344 215 Q C -1.976 174.215 176.000 0.318 0.000 1.384 215 Q CA 0.663 56.601 55.803 0.224 0.000 0.984 215 Q CB -0.468 28.361 28.738 0.152 0.000 1.204 215 Q HN 0.539 nan 8.270 nan 0.000 0.392 216 P HA -0.152 nan 4.420 nan 0.000 0.215 216 P C 0.289 177.727 177.300 0.230 0.000 1.153 216 P CA 1.373 64.623 63.100 0.251 0.000 0.853 216 P CB 0.136 31.889 31.700 0.088 0.000 0.788 217 L N -0.725 120.568 121.223 0.117 0.000 2.376 217 L HA 0.358 4.698 4.340 0.001 0.000 0.267 217 L C 1.037 177.999 176.870 0.153 0.000 1.035 217 L CA -1.489 53.338 54.840 -0.021 0.000 0.800 217 L CB 0.161 41.978 42.059 -0.403 0.000 1.290 217 L HN -0.090 nan 8.230 nan 0.000 0.462 218 E N -0.200 120.045 120.200 0.076 0.000 2.422 218 E HA -0.073 4.278 4.350 0.001 0.000 0.260 218 E C 0.472 177.129 176.600 0.095 0.000 1.108 218 E CA -0.276 56.163 56.400 0.066 0.000 0.943 218 E CB 0.856 30.567 29.700 0.018 0.000 0.961 218 E HN 0.712 nan 8.360 nan 0.000 0.443 219 E N 1.444 121.653 120.200 0.015 0.000 2.097 219 E HA -0.293 4.058 4.350 0.001 0.000 0.196 219 E C 1.130 177.730 176.600 0.000 0.000 1.000 219 E CA 2.009 58.396 56.400 -0.021 0.000 0.804 219 E CB 0.088 29.728 29.700 -0.099 0.000 0.740 219 E HN 0.640 nan 8.360 nan 0.000 0.454 220 E N 0.607 120.808 120.200 0.002 0.000 2.435 220 E HA -0.043 4.308 4.350 0.001 0.000 0.195 220 E C 0.105 176.725 176.600 0.033 0.000 1.029 220 E CA 0.534 56.936 56.400 0.003 0.000 0.865 220 E CB 0.100 29.794 29.700 -0.011 0.000 0.833 220 E HN 0.108 nan 8.360 nan 0.000 0.510 221 D N 0.502 120.945 120.400 0.071 0.000 2.558 221 D HA 0.031 4.672 4.640 0.001 0.000 0.221 221 D C 0.678 177.100 176.300 0.203 0.000 1.143 221 D CA -0.055 53.998 54.000 0.089 0.000 1.010 221 D CB 0.359 41.179 40.800 0.033 0.000 1.068 221 D HN -0.145 nan 8.370 nan 0.000 0.511 222 V N 2.717 122.707 119.914 0.126 0.000 2.283 222 V HA -0.194 3.927 4.120 0.001 0.000 0.243 222 V C 2.588 178.751 176.094 0.116 0.000 1.039 222 V CA 1.014 63.387 62.300 0.122 0.000 1.016 222 V CB -0.452 31.388 31.823 0.029 0.000 0.650 222 V HN 0.511 nan 8.190 nan 0.000 0.449 223 L N 0.715 121.974 121.223 0.061 0.000 2.079 223 L HA -0.132 4.209 4.340 0.001 0.000 0.210 223 L C 2.606 179.498 176.870 0.036 0.000 1.081 223 L CA 1.768 56.631 54.840 0.038 0.000 0.752 223 L CB -1.138 40.932 42.059 0.017 0.000 0.896 223 L HN 0.503 nan 8.230 nan 0.000 0.433 224 G N -1.412 107.403 108.800 0.025 0.000 2.422 224 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 224 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 224 G C 1.167 176.037 174.900 -0.050 0.000 1.140 224 G CA 0.594 45.674 45.100 -0.033 0.000 0.775 224 G HN 0.417 nan 8.290 nan 0.000 0.545 225 H N 0.370 119.442 119.070 0.003 0.000 2.395 225 H HA 0.227 4.783 4.556 0.001 0.000 0.299 225 H C 2.828 178.156 175.328 0.000 0.000 1.070 225 H CA 1.161 57.212 56.048 0.005 0.000 1.356 225 H CB 0.093 29.858 29.762 0.005 0.000 1.401 225 H HN 0.386 nan 8.280 nan 0.000 0.524 226 A N 0.689 123.578 122.820 0.115 0.000 1.902 226 A HA -0.194 4.127 4.320 0.001 0.000 0.217 226 A C 2.190 179.795 177.584 0.034 0.000 1.181 226 A CA 1.732 53.803 52.037 0.058 0.000 0.623 226 A CB -0.195 18.826 19.000 0.034 0.000 0.818 226 A HN 0.277 nan 8.150 nan 0.000 0.443 227 E N -0.178 120.035 120.200 0.022 0.000 2.047 227 E HA -0.147 4.203 4.350 0.001 0.000 0.191 227 E C 1.893 178.494 176.600 0.000 0.000 0.987 227 E CA 1.121 57.524 56.400 0.005 0.000 0.799 227 E CB -0.568 29.129 29.700 -0.005 0.000 0.752 227 E HN 0.401 nan 8.360 nan 0.000 0.449 228 L N 0.663 121.881 121.223 -0.008 0.000 2.043 228 L HA -0.143 4.197 4.340 0.001 0.000 0.212 228 L C 2.170 179.044 176.870 0.005 0.000 1.075 228 L CA 2.424 57.255 54.840 -0.016 0.000 0.752 228 L CB -1.108 40.926 42.059 -0.042 0.000 0.891 228 L HN 0.130 nan 8.230 nan 0.000 0.432 229 A N -0.506 122.331 122.820 0.028 0.000 1.940 229 A HA -0.252 4.068 4.320 0.001 0.000 0.219 229 A C 2.401 179.993 177.584 0.013 0.000 1.176 229 A CA 1.962 54.016 52.037 0.029 0.000 0.631 229 A CB -0.583 18.440 19.000 0.039 0.000 0.814 229 A HN 0.556 nan 8.150 nan 0.000 0.446 230 R N -1.186 119.320 120.500 0.009 0.000 2.148 230 R HA -0.008 4.332 4.340 0.001 0.000 0.227 230 R C 2.185 178.484 176.300 -0.002 0.000 1.103 230 R CA 1.290 57.392 56.100 0.003 0.000 0.983 230 R CB -0.149 30.152 30.300 0.002 0.000 0.874 230 R HN 0.456 nan 8.270 nan 0.000 0.451 231 R N 0.259 120.756 120.500 -0.005 0.000 2.210 231 R HA 0.166 4.506 4.340 0.001 0.000 0.203 231 R C 0.856 177.148 176.300 -0.014 0.000 1.010 231 R CA 0.482 56.576 56.100 -0.010 0.000 1.008 231 R CB 0.220 30.512 30.300 -0.013 0.000 0.923 231 R HN 0.226 nan 8.270 nan 0.000 0.469 232 I N -3.538 117.025 120.570 -0.011 0.000 2.892 232 I HA 0.286 4.456 4.170 0.001 0.000 0.306 232 I C 0.078 176.189 176.117 -0.009 0.000 1.078 232 I CA -0.946 60.345 61.300 -0.015 0.000 1.032 232 I CB 2.321 40.308 38.000 -0.021 0.000 1.229 232 I HN -0.184 nan 8.210 nan 0.000 0.435 233 Q N 0.979 120.771 119.800 -0.013 0.000 2.302 233 Q HA 0.124 4.465 4.340 0.001 0.000 0.202 233 Q C 0.104 176.103 176.000 -0.002 0.000 0.936 233 Q CA 0.635 56.432 55.803 -0.011 0.000 0.886 233 Q CB 0.337 29.062 28.738 -0.021 0.000 0.986 233 Q HN 0.762 nan 8.270 nan 0.000 0.487 234 T N 3.460 118.015 114.554 0.001 0.000 2.916 234 T HA 0.133 4.483 4.350 0.001 0.000 0.303 234 T C -2.433 172.280 174.700 0.021 0.000 1.025 234 T CA -1.061 61.047 62.100 0.012 0.000 1.142 234 T CB 0.688 69.565 68.868 0.016 0.000 0.947 234 T HN -0.024 nan 8.240 nan 0.000 0.544 235 P HA 0.166 nan 4.420 nan 0.000 0.268 235 P C -0.359 176.975 177.300 0.056 0.000 1.205 235 P CA -0.486 62.637 63.100 0.037 0.000 0.771 235 P CB 0.313 32.034 31.700 0.036 0.000 0.858 236 I N 2.644 123.251 120.570 0.062 0.000 2.428 236 I HA 0.179 4.349 4.170 0.001 0.000 0.289 236 I C 0.652 176.814 176.117 0.076 0.000 1.019 236 I CA -0.734 60.615 61.300 0.082 0.000 1.351 236 I CB 0.205 38.265 38.000 0.100 0.000 1.412 236 I HN 0.400 nan 8.210 nan 0.000 0.513 237 C N 7.741 127.098 119.300 0.096 0.000 2.547 237 C HA 0.711 5.172 4.460 0.001 0.000 0.313 237 C C -0.469 174.546 174.990 0.040 0.000 1.191 237 C CA -0.569 58.519 59.018 0.115 0.000 1.474 237 C CB 0.522 28.421 27.740 0.265 0.000 2.081 237 C HN 0.717 nan 8.230 nan 0.000 0.476 238 L N 4.786 125.983 121.223 -0.043 0.000 2.334 238 L HA 0.525 4.866 4.340 0.001 0.000 0.273 238 L C 0.236 177.051 176.870 -0.092 0.000 1.013 238 L CA -0.168 54.600 54.840 -0.120 0.000 0.816 238 L CB 1.874 43.803 42.059 -0.216 0.000 1.278 238 L HN 0.803 nan 8.230 nan 0.000 0.431 239 D N 0.231 120.596 120.400 -0.059 0.000 3.137 239 D HA -0.022 4.619 4.640 0.001 0.000 0.236 239 D C 1.404 177.692 176.300 -0.021 0.000 1.557 239 D CA 0.375 54.359 54.000 -0.026 0.000 1.305 239 D CB 0.296 41.146 40.800 0.084 0.000 1.065 239 D HN 0.501 nan 8.370 nan 0.000 0.290 240 E N 0.466 120.645 120.200 -0.034 0.000 2.086 240 E HA -0.124 4.226 4.350 0.001 0.000 0.200 240 E C 2.165 178.693 176.600 -0.120 0.000 1.012 240 E CA 1.868 58.175 56.400 -0.154 0.000 0.812 240 E CB -0.222 29.302 29.700 -0.293 0.000 0.743 240 E HN 0.139 nan 8.360 nan 0.000 0.453 241 S N 0.051 115.685 115.700 -0.109 0.000 2.399 241 S HA -0.072 4.398 4.470 0.001 0.000 0.231 241 S C 0.776 175.323 174.600 -0.089 0.000 1.022 241 S CA 0.492 58.631 58.200 -0.102 0.000 0.983 241 S CB -0.046 63.072 63.200 -0.136 0.000 0.803 241 S HN 0.156 nan 8.310 nan 0.000 0.480 242 I N 3.584 124.100 120.570 -0.090 0.000 2.352 242 I HA 0.041 4.211 4.170 0.001 0.000 0.303 242 I C 1.226 177.307 176.117 -0.059 0.000 1.194 242 I CA -0.058 61.194 61.300 -0.080 0.000 1.518 242 I CB -0.682 37.261 38.000 -0.095 0.000 1.489 242 I HN 0.098 nan 8.210 nan 0.000 0.702 243 V N 2.499 122.382 119.914 -0.052 0.000 3.608 243 V HA 0.239 4.360 4.120 0.001 0.000 0.269 243 V C 0.740 176.815 176.094 -0.032 0.000 1.245 243 V CA 0.567 62.843 62.300 -0.039 0.000 1.138 243 V CB -0.680 31.119 31.823 -0.040 0.000 0.841 243 V HN 0.716 nan 8.190 nan 0.000 0.451 244 S N -2.117 113.562 115.700 -0.035 0.000 2.636 244 S HA 0.758 5.228 4.470 0.001 0.000 0.266 244 S C 0.589 175.172 174.600 -0.029 0.000 1.147 244 S CA -0.051 58.134 58.200 -0.026 0.000 0.815 244 S CB 1.019 64.207 63.200 -0.019 0.000 1.119 244 S HN 0.917 nan 8.310 nan 0.000 0.470 245 A N 1.019 123.829 122.820 -0.016 0.000 1.933 245 A HA -0.001 4.320 4.320 0.001 0.000 0.218 245 A C 2.111 179.683 177.584 -0.020 0.000 1.175 245 A CA 1.673 53.702 52.037 -0.013 0.000 0.628 245 A CB -0.839 18.165 19.000 0.006 0.000 0.814 245 A HN 0.822 nan 8.150 nan 0.000 0.444 246 R N -0.381 120.108 120.500 -0.018 0.000 2.092 246 R HA -0.060 4.280 4.340 0.001 0.000 0.231 246 R C 2.251 178.528 176.300 -0.039 0.000 1.119 246 R CA 1.289 57.376 56.100 -0.023 0.000 0.970 246 R CB -0.364 29.926 30.300 -0.016 0.000 0.864 246 R HN 0.431 nan 8.270 nan 0.000 0.440 247 A N 0.752 123.547 122.820 -0.042 0.000 1.933 247 A HA -0.094 4.227 4.320 0.001 0.000 0.218 247 A C 2.314 179.856 177.584 -0.070 0.000 1.175 247 A CA 1.623 53.629 52.037 -0.053 0.000 0.628 247 A CB -0.625 18.344 19.000 -0.052 0.000 0.814 247 A HN 0.524 nan 8.150 nan 0.000 0.444 248 A N -0.188 122.588 122.820 -0.073 0.000 1.898 248 A HA 0.211 4.531 4.320 0.001 0.000 0.216 248 A C 2.491 180.000 177.584 -0.126 0.000 1.181 248 A CA 1.908 53.888 52.037 -0.094 0.000 0.620 248 A CB -0.952 17.997 19.000 -0.085 0.000 0.819 248 A HN 1.007 nan 8.150 nan 0.000 0.442 249 A N 0.198 122.949 122.820 -0.115 0.000 1.902 249 A HA -0.179 4.142 4.320 0.001 0.000 0.217 249 A C 1.774 179.254 177.584 -0.173 0.000 1.181 249 A CA 1.924 53.855 52.037 -0.175 0.000 0.623 249 A CB -0.588 18.362 19.000 -0.082 0.000 0.818 249 A HN 0.456 nan 8.150 nan 0.000 0.443 250 D N 0.183 120.520 120.400 -0.104 0.000 2.084 250 D HA -0.069 4.571 4.640 0.001 0.000 0.194 250 D C 2.269 178.516 176.300 -0.088 0.000 0.990 250 D CA 1.728 55.680 54.000 -0.081 0.000 0.826 250 D CB -0.610 40.158 40.800 -0.055 0.000 0.971 250 D HN 0.403 nan 8.370 nan 0.000 0.453 251 A N 0.585 123.351 122.820 -0.091 0.000 1.940 251 A HA -0.157 4.164 4.320 0.001 0.000 0.219 251 A C 2.395 179.919 177.584 -0.099 0.000 1.176 251 A CA 0.978 52.964 52.037 -0.084 0.000 0.631 251 A CB -0.748 18.195 19.000 -0.094 0.000 0.814 251 A HN 0.207 nan 8.150 nan 0.000 0.446 252 I N -0.546 119.935 120.570 -0.149 0.000 2.142 252 I HA -0.287 3.883 4.170 0.001 0.000 0.240 252 I C 2.499 178.524 176.117 -0.153 0.000 1.078 252 I CA 1.683 62.874 61.300 -0.183 0.000 1.343 252 I CB -0.297 37.504 38.000 -0.331 0.000 1.046 252 I HN 0.282 nan 8.210 nan 0.000 0.405 253 K N 0.646 120.944 120.400 -0.170 0.000 2.074 253 K HA -0.167 4.154 4.320 0.001 0.000 0.209 253 K C 1.873 178.442 176.600 -0.052 0.000 1.048 253 K CA 1.375 57.603 56.287 -0.097 0.000 0.926 253 K CB -0.276 32.177 32.500 -0.078 0.000 0.713 253 K HN 0.332 nan 8.250 nan 0.000 0.444 254 L N 0.103 121.296 121.223 -0.049 0.000 2.610 254 L HA 0.044 4.384 4.340 0.001 0.000 0.232 254 L C 1.015 177.875 176.870 -0.016 0.000 1.149 254 L CA 0.301 55.126 54.840 -0.026 0.000 0.872 254 L CB -0.364 41.683 42.059 -0.020 0.000 0.992 254 L HN 0.431 nan 8.230 nan 0.000 0.447 255 G N 0.195 108.980 108.800 -0.025 0.000 2.225 255 G HA2 -0.352 3.608 3.960 0.001 0.000 0.267 255 G HA3 -0.352 3.608 3.960 0.001 0.000 0.267 255 G C 0.880 175.780 174.900 0.000 0.000 1.024 255 G CA 0.447 45.540 45.100 -0.012 0.000 0.784 255 G HN 0.498 nan 8.290 nan 0.000 0.507 256 A N -1.514 121.303 122.820 -0.006 0.000 2.218 256 A HA 0.650 4.970 4.320 0.001 0.000 0.209 256 A C 1.003 178.584 177.584 -0.003 0.000 1.168 256 A CA 1.343 53.392 52.037 0.019 0.000 0.804 256 A CB 0.570 19.579 19.000 0.016 0.000 0.834 256 A HN 1.656 nan 8.150 nan 0.000 0.482 257 V N -1.165 118.734 119.914 -0.026 0.000 2.969 257 V HA 0.329 4.450 4.120 0.001 0.000 0.304 257 V C -0.311 175.774 176.094 -0.016 0.000 1.192 257 V CA -0.451 61.829 62.300 -0.032 0.000 0.962 257 V CB 2.031 33.811 31.823 -0.071 0.000 1.045 257 V HN 0.440 nan 8.190 nan 0.000 0.428 258 Q N 3.870 123.674 119.800 0.007 0.000 2.391 258 Q HA 0.491 4.831 4.340 0.001 0.000 0.243 258 Q C -0.471 175.547 176.000 0.030 0.000 0.874 258 Q CA 0.496 56.309 55.803 0.018 0.000 0.950 258 Q CB 1.484 30.240 28.738 0.029 0.000 1.103 258 Q HN 0.702 nan 8.270 nan 0.000 0.544 259 I N 0.484 121.085 120.570 0.052 0.000 2.619 259 I HA 0.301 4.472 4.170 0.001 0.000 0.292 259 I C -1.089 175.070 176.117 0.070 0.000 1.100 259 I CA -0.874 60.487 61.300 0.100 0.000 1.043 259 I CB 2.692 40.816 38.000 0.207 0.000 1.239 259 I HN -0.286 nan 8.210 nan 0.000 0.420 260 V N 4.838 124.746 119.914 -0.011 0.000 2.495 260 V HA 0.380 4.500 4.120 0.001 0.000 0.298 260 V C -0.215 175.640 176.094 -0.398 0.000 1.031 260 V CA -0.742 61.470 62.300 -0.147 0.000 0.871 260 V CB 2.012 33.739 31.823 -0.159 0.000 0.988 260 V HN 0.722 nan 8.190 nan 0.000 0.432 261 N N 5.313 123.699 118.700 -0.524 0.000 2.419 261 N HA 0.364 5.105 4.740 0.001 0.000 0.264 261 N C -0.895 174.304 175.510 -0.519 0.000 1.031 261 N CA -0.177 52.283 53.050 -0.983 0.000 0.951 261 N CB 0.920 38.862 38.487 -0.908 0.000 1.101 261 N HN 0.604 nan 8.380 nan 0.000 0.488 262 I N 2.852 123.173 120.570 -0.415 0.000 2.336 262 I HA 0.269 4.439 4.170 0.001 0.000 0.292 262 I C 0.240 176.290 176.117 -0.112 0.000 0.991 262 I CA -0.592 60.608 61.300 -0.167 0.000 1.227 262 I CB 1.196 39.183 38.000 -0.021 0.000 1.366 262 I HN 0.244 nan 8.210 nan 0.000 0.466 263 K N 7.600 127.936 120.400 -0.106 0.000 2.535 263 K HA 0.330 4.650 4.320 0.001 0.000 0.253 263 K C -2.028 174.488 176.600 -0.140 0.000 0.953 263 K CA -1.544 54.679 56.287 -0.106 0.000 0.863 263 K CB 2.307 34.759 32.500 -0.080 0.000 1.111 263 K HN 0.172 nan 8.250 nan 0.000 0.431 264 P HA -0.213 nan 4.420 nan 0.000 0.214 264 P C 1.298 178.431 177.300 -0.278 0.000 1.163 264 P CA 1.345 64.180 63.100 -0.443 0.000 0.889 264 P CB 0.236 31.200 31.700 -1.227 0.000 0.790 265 G N -0.182 108.499 108.800 -0.198 0.000 2.440 265 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 265 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 265 G C 1.794 176.671 174.900 -0.038 0.000 1.154 265 G CA 0.671 45.723 45.100 -0.080 0.000 0.767 265 G HN 0.215 nan 8.290 nan 0.000 0.552 266 R N 0.353 120.835 120.500 -0.030 0.000 2.120 266 R HA -0.067 4.274 4.340 0.001 0.000 0.234 266 R C 2.457 178.753 176.300 -0.006 0.000 1.123 266 R CA 1.754 57.867 56.100 0.022 0.000 0.975 266 R CB -0.233 30.105 30.300 0.064 0.000 0.866 266 R HN 0.438 nan 8.270 nan 0.000 0.446 267 V N -3.384 116.507 119.914 -0.038 0.000 3.649 267 V HA 0.392 4.513 4.120 0.001 0.000 0.275 267 V C 0.819 176.898 176.094 -0.025 0.000 1.281 267 V CA 0.606 62.886 62.300 -0.034 0.000 1.143 267 V CB 0.320 32.117 31.823 -0.044 0.000 0.892 267 V HN 0.421 nan 8.190 nan 0.000 0.441 268 G N -1.408 107.379 108.800 -0.022 0.000 2.144 268 G HA2 0.324 4.285 3.960 0.001 0.000 0.218 268 G HA3 0.324 4.285 3.960 0.001 0.000 0.218 268 G C 0.803 175.705 174.900 0.004 0.000 0.988 268 G CA -0.133 44.969 45.100 0.003 0.000 0.659 268 G HN 2.341 nan 8.290 nan 0.000 0.522 269 G N -2.511 106.262 108.800 -0.046 0.000 2.334 269 G HA2 0.327 4.287 3.960 0.001 0.000 0.566 269 G HA3 0.327 4.287 3.960 0.001 0.000 0.566 269 G C 0.097 174.932 174.900 -0.109 0.000 1.413 269 G CA 0.200 45.286 45.100 -0.024 0.000 0.993 269 G HN 0.638 nan 8.290 nan 0.000 0.642 270 Y N 0.202 120.555 120.300 0.087 0.000 2.224 270 Y HA -0.027 4.523 4.550 0.001 0.000 0.289 270 Y C 3.004 178.930 175.900 0.044 0.000 1.146 270 Y CA 1.982 60.136 58.100 0.089 0.000 1.182 270 Y CB -0.182 38.367 38.460 0.149 0.000 0.983 270 Y HN 0.426 nan 8.280 nan 0.000 0.524 271 L N -0.551 120.756 121.223 0.140 0.000 2.017 271 L HA -0.212 4.128 4.340 0.001 0.000 0.208 271 L C 2.449 179.351 176.870 0.054 0.000 1.073 271 L CA 1.731 56.614 54.840 0.071 0.000 0.745 271 L CB -0.512 41.572 42.059 0.042 0.000 0.894 271 L HN 0.139 nan 8.230 nan 0.000 0.432 272 E N 0.604 120.827 120.200 0.037 0.000 2.106 272 E HA -0.179 4.171 4.350 0.001 0.000 0.192 272 E C 2.104 178.721 176.600 0.028 0.000 0.984 272 E CA 1.348 57.762 56.400 0.023 0.000 0.806 272 E CB -0.075 29.629 29.700 0.006 0.000 0.750 272 E HN 0.361 nan 8.360 nan 0.000 0.458 273 A N 1.044 123.874 122.820 0.016 0.000 1.940 273 A HA -0.217 4.104 4.320 0.001 0.000 0.219 273 A C 2.274 179.934 177.584 0.126 0.000 1.176 273 A CA 1.714 53.774 52.037 0.038 0.000 0.631 273 A CB -0.616 18.366 19.000 -0.031 0.000 0.814 273 A HN 0.232 nan 8.150 nan 0.000 0.446 274 R N -0.346 120.229 120.500 0.125 0.000 2.075 274 R HA -0.092 4.248 4.340 0.001 0.000 0.232 274 R C 2.313 178.710 176.300 0.161 0.000 1.126 274 R CA 1.400 57.586 56.100 0.144 0.000 0.963 274 R CB -0.277 30.076 30.300 0.088 0.000 0.858 274 R HN 0.545 nan 8.270 nan 0.000 0.435 275 R N -0.181 120.380 120.500 0.101 0.000 2.096 275 R HA -0.088 4.252 4.340 0.001 0.000 0.235 275 R C 2.286 178.631 176.300 0.074 0.000 1.127 275 R CA 1.507 57.655 56.100 0.080 0.000 0.968 275 R CB -0.225 30.105 30.300 0.048 0.000 0.861 275 R HN 0.099 nan 8.270 nan 0.000 0.440 276 V N 0.533 120.486 119.914 0.064 0.000 2.358 276 V HA -0.271 3.850 4.120 0.001 0.000 0.246 276 V C 2.441 178.548 176.094 0.021 0.000 1.047 276 V CA 1.894 64.208 62.300 0.023 0.000 1.035 276 V CB -0.819 31.001 31.823 -0.004 0.000 0.658 276 V HN 0.470 nan 8.190 nan 0.000 0.452 277 H N 0.572 119.625 119.070 -0.029 0.000 2.319 277 H HA -0.209 4.348 4.556 0.001 0.000 0.299 277 H C 2.012 177.318 175.328 -0.036 0.000 1.092 277 H CA 2.280 58.280 56.048 -0.079 0.000 1.302 277 H CB -0.113 29.678 29.762 0.049 0.000 1.373 277 H HN 0.398 nan 8.280 nan 0.000 0.497 278 D N 0.250 120.722 120.400 0.120 0.000 2.117 278 D HA -0.102 4.538 4.640 0.001 0.000 0.198 278 D C 2.596 178.891 176.300 -0.008 0.000 0.982 278 D CA 0.899 54.939 54.000 0.067 0.000 0.828 278 D CB -0.298 40.583 40.800 0.136 0.000 0.967 278 D HN 0.228 nan 8.370 nan 0.000 0.464 279 V N 0.583 120.508 119.914 0.018 0.000 2.295 279 V HA -0.272 3.849 4.120 0.001 0.000 0.246 279 V C 2.681 178.821 176.094 0.076 0.000 1.049 279 V CA 1.308 63.643 62.300 0.059 0.000 1.024 279 V CB -0.425 31.432 31.823 0.058 0.000 0.648 279 V HN 0.295 nan 8.190 nan 0.000 0.447 280 C N 0.075 119.359 119.300 -0.028 0.000 2.413 280 C HA -0.170 4.291 4.460 0.001 0.000 0.276 280 C C 3.089 178.042 174.990 -0.062 0.000 1.236 280 C CA 0.896 59.883 59.018 -0.053 0.000 1.735 280 C CB -1.427 26.222 27.740 -0.151 0.000 2.031 280 C HN 0.650 nan 8.230 nan 0.000 0.474 281 A N 0.572 123.287 122.820 -0.175 0.000 1.892 281 A HA -0.052 4.268 4.320 0.001 0.000 0.218 281 A C 2.349 179.878 177.584 -0.092 0.000 1.188 281 A CA 2.335 54.267 52.037 -0.175 0.000 0.631 281 A CB -1.007 17.827 19.000 -0.276 0.000 0.822 281 A HN 0.652 nan 8.150 nan 0.000 0.447 282 A N -2.094 120.677 122.820 -0.082 0.000 2.125 282 A HA -0.151 4.170 4.320 0.001 0.000 0.219 282 A C 1.801 179.231 177.584 -0.257 0.000 1.156 282 A CA 1.419 53.369 52.037 -0.145 0.000 0.671 282 A CB -0.676 18.227 19.000 -0.161 0.000 0.794 282 A HN 0.692 nan 8.150 nan 0.000 0.459 283 H N -1.694 117.343 119.070 -0.053 0.000 2.652 283 H HA 0.249 4.805 4.556 0.001 0.000 0.274 283 H C 1.538 176.841 175.328 -0.042 0.000 1.021 283 H CA 0.545 56.568 56.048 -0.042 0.000 1.187 283 H CB 0.310 30.046 29.762 -0.043 0.000 1.505 283 H HN 0.599 nan 8.280 nan 0.000 0.530 284 G N 1.685 110.499 108.800 0.023 0.000 2.160 284 G HA2 -0.237 3.724 3.960 0.001 0.000 0.251 284 G HA3 -0.237 3.724 3.960 0.001 0.000 0.251 284 G C 0.089 174.994 174.900 0.008 0.000 1.008 284 G CA -0.005 45.098 45.100 0.006 0.000 0.724 284 G HN 0.208 nan 8.290 nan 0.000 0.514 285 I N 1.483 122.055 120.570 0.003 0.000 2.312 285 I HA 0.309 4.479 4.170 0.001 0.000 0.290 285 I C -1.970 174.114 176.117 -0.056 0.000 1.008 285 I CA -2.876 58.415 61.300 -0.015 0.000 1.226 285 I CB 1.006 38.994 38.000 -0.020 0.000 1.371 285 I HN -0.137 nan 8.210 nan 0.000 0.468 286 P HA 0.222 nan 4.420 nan 0.000 0.275 286 P C -0.428 176.853 177.300 -0.033 0.000 1.228 286 P CA -0.081 63.003 63.100 -0.027 0.000 0.786 286 P CB 1.071 32.793 31.700 0.037 0.000 0.927 287 V N -0.195 119.652 119.914 -0.111 0.000 3.074 287 V HA 0.915 5.036 4.120 0.001 0.000 0.314 287 V C -1.525 174.568 176.094 -0.001 0.000 1.117 287 V CA -0.847 61.332 62.300 -0.202 0.000 1.014 287 V CB 2.581 34.090 31.823 -0.524 0.000 1.057 287 V HN 0.760 nan 8.190 nan 0.000 0.438 288 W N 0.209 121.461 121.300 -0.079 0.000 3.118 288 W HA 0.691 5.352 4.660 0.001 0.000 0.328 288 W C -1.363 175.362 176.519 0.343 0.000 1.239 288 W CA -1.467 56.006 57.345 0.213 0.000 1.176 288 W CB 0.975 30.523 29.460 0.146 0.000 1.433 288 W HN 0.887 nan 8.180 nan 0.000 0.562 289 C N 2.659 122.318 119.300 0.598 0.000 2.347 289 C HA 0.738 5.198 4.460 0.001 0.000 0.353 289 C C 1.119 176.211 174.990 0.168 0.000 1.273 289 C CA 0.641 59.846 59.018 0.312 0.000 1.861 289 C CB -0.468 27.386 27.740 0.191 0.000 2.420 289 C HN 0.818 nan 8.230 nan 0.000 0.542 290 G N 3.688 112.448 108.800 -0.067 0.000 2.528 290 G HA2 0.632 4.593 3.960 0.001 0.000 0.289 290 G HA3 0.632 4.593 3.960 0.001 0.000 0.289 290 G C -0.110 174.805 174.900 0.025 0.000 1.192 290 G CA 0.064 45.135 45.100 -0.047 0.000 0.921 290 G HN 1.224 nan 8.290 nan 0.000 0.512 291 G N -0.947 107.876 108.800 0.038 0.000 2.574 291 G HA2 0.497 4.458 3.960 0.001 0.000 0.299 291 G HA3 0.497 4.458 3.960 0.001 0.000 0.299 291 G C -0.282 174.578 174.900 -0.067 0.000 1.298 291 G CA -0.615 44.483 45.100 -0.004 0.000 0.952 291 G HN 0.384 nan 8.290 nan 0.000 0.477 292 M N 2.128 121.659 119.600 -0.115 0.000 3.002 292 M HA 0.285 4.765 4.480 0.001 0.000 0.398 292 M C 0.553 176.715 176.300 -0.232 0.000 1.366 292 M CA -0.278 54.922 55.300 -0.167 0.000 0.824 292 M CB -0.405 32.103 32.600 -0.154 0.000 1.414 292 M HN 0.644 nan 8.290 nan 0.000 0.501 293 I N 0.753 121.093 120.570 -0.384 0.000 6.679 293 I HA -0.325 3.845 4.170 0.001 0.000 0.126 293 I C -0.136 175.844 176.117 -0.229 0.000 1.811 293 I CA 0.568 61.461 61.300 -0.679 0.000 2.117 293 I CB -1.507 35.938 38.000 -0.925 0.000 3.492 293 I HN 0.376 nan 8.210 nan 0.000 0.193 294 E N 1.184 121.335 120.200 -0.081 0.000 2.392 294 E HA 0.338 4.688 4.350 0.001 0.000 0.259 294 E C 1.033 177.724 176.600 0.153 0.000 1.108 294 E CA 0.258 56.674 56.400 0.027 0.000 0.916 294 E CB 0.572 30.274 29.700 0.004 0.000 0.989 294 E HN 0.428 nan 8.360 nan 0.000 0.432 295 T N -1.755 112.843 114.554 0.072 0.000 2.732 295 T HA 0.206 4.557 4.350 0.001 0.000 0.287 295 T C 1.446 176.176 174.700 0.049 0.000 0.993 295 T CA -0.314 61.795 62.100 0.016 0.000 0.966 295 T CB 0.763 69.561 68.868 -0.115 0.000 1.047 295 T HN 0.482 nan 8.240 nan 0.000 0.527 296 G N -0.263 108.574 108.800 0.062 0.000 2.479 296 G HA2 -0.092 3.868 3.960 0.001 0.000 0.220 296 G HA3 -0.092 3.868 3.960 0.001 0.000 0.220 296 G C 1.400 176.345 174.900 0.075 0.000 1.115 296 G CA 0.837 46.031 45.100 0.157 0.000 0.757 296 G HN 0.682 nan 8.290 nan 0.000 0.560 297 L N 0.494 121.701 121.223 -0.027 0.000 1.961 297 L HA 0.009 4.349 4.340 0.001 0.000 0.210 297 L C 3.185 180.009 176.870 -0.078 0.000 1.072 297 L CA 1.408 56.208 54.840 -0.067 0.000 0.749 297 L CB -0.880 41.140 42.059 -0.064 0.000 0.889 297 L HN 0.281 nan 8.230 nan 0.000 0.432 298 G N -0.730 108.053 108.800 -0.029 0.000 2.408 298 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 298 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 298 G C 1.721 176.584 174.900 -0.062 0.000 1.150 298 G CA 0.589 45.691 45.100 0.004 0.000 0.776 298 G HN 0.210 nan 8.290 nan 0.000 0.542 299 R N 0.523 120.957 120.500 -0.111 0.000 2.096 299 R HA -0.058 4.282 4.340 0.001 0.000 0.240 299 R C 2.841 178.862 176.300 -0.465 0.000 1.139 299 R CA 1.709 57.636 56.100 -0.289 0.000 0.952 299 R CB -0.387 29.692 30.300 -0.369 0.000 0.854 299 R HN 0.283 nan 8.270 nan 0.000 0.436 300 A N 0.409 123.036 122.820 -0.321 0.000 1.902 300 A HA -0.115 4.205 4.320 0.001 0.000 0.217 300 A C 2.355 179.797 177.584 -0.235 0.000 1.181 300 A CA 1.749 53.691 52.037 -0.158 0.000 0.623 300 A CB -0.888 18.166 19.000 0.090 0.000 0.818 300 A HN 0.547 nan 8.150 nan 0.000 0.443 301 A N 0.111 122.716 122.820 -0.357 0.000 1.933 301 A HA -0.181 4.140 4.320 0.001 0.000 0.218 301 A C 1.896 179.400 177.584 -0.134 0.000 1.175 301 A CA 1.827 53.549 52.037 -0.524 0.000 0.628 301 A CB -0.629 17.776 19.000 -0.991 0.000 0.814 301 A HN 0.539 nan 8.150 nan 0.000 0.444 302 N N 0.287 118.978 118.700 -0.015 0.000 2.120 302 N HA -0.125 4.615 4.740 0.001 0.000 0.188 302 N C 1.659 177.117 175.510 -0.087 0.000 1.024 302 N CA 1.590 54.665 53.050 0.041 0.000 0.852 302 N CB -0.687 37.796 38.487 -0.007 0.000 1.003 302 N HN 0.257 nan 8.380 nan 0.000 0.424 303 V N 1.443 121.258 119.914 -0.165 0.000 2.287 303 V HA -0.241 3.880 4.120 0.001 0.000 0.248 303 V C 2.400 178.433 176.094 -0.101 0.000 1.053 303 V CA 1.886 64.097 62.300 -0.148 0.000 1.027 303 V CB -1.120 30.611 31.823 -0.154 0.000 0.646 303 V HN 0.321 nan 8.190 nan 0.000 0.447 304 A N -0.007 122.774 122.820 -0.064 0.000 1.865 304 A HA -0.232 4.089 4.320 0.001 0.000 0.217 304 A C 2.199 179.737 177.584 -0.076 0.000 1.191 304 A CA 2.288 54.312 52.037 -0.021 0.000 0.623 304 A CB -0.693 18.337 19.000 0.051 0.000 0.826 304 A HN 0.460 nan 8.150 nan 0.000 0.444 305 L N -0.045 121.135 121.223 -0.071 0.000 1.989 305 L HA -0.114 4.226 4.340 0.001 0.000 0.211 305 L C 2.562 179.021 176.870 -0.685 0.000 1.071 305 L CA 2.506 57.245 54.840 -0.168 0.000 0.749 305 L CB -0.787 41.298 42.059 0.044 0.000 0.890 305 L HN 0.337 nan 8.230 nan 0.000 0.431 306 A N -1.250 121.142 122.820 -0.713 0.000 2.225 306 A HA -0.126 4.194 4.320 0.001 0.000 0.215 306 A C 2.253 179.515 177.584 -0.536 0.000 1.164 306 A CA 1.367 52.812 52.037 -0.986 0.000 0.710 306 A CB -0.990 17.780 19.000 -0.383 0.000 0.780 306 A HN 0.696 nan 8.150 nan 0.000 0.473 307 S N -1.245 114.267 115.700 -0.313 0.000 2.593 307 S HA 0.284 4.755 4.470 0.001 0.000 0.217 307 S C 0.358 174.949 174.600 -0.016 0.000 0.966 307 S CA -0.408 57.737 58.200 -0.092 0.000 0.914 307 S CB -0.506 62.673 63.200 -0.034 0.000 0.776 307 S HN 0.177 nan 8.310 nan 0.000 0.523 308 L N 2.837 124.021 121.223 -0.066 0.000 2.467 308 L HA 0.282 4.622 4.340 0.001 0.000 0.270 308 L C -1.048 176.051 176.870 0.382 0.000 1.205 308 L CA -1.477 53.418 54.840 0.092 0.000 0.828 308 L CB 0.023 41.995 42.059 -0.145 0.000 1.101 308 L HN 0.003 nan 8.230 nan 0.000 0.479 309 P HA -0.212 nan 4.420 nan 0.000 0.216 309 P C 0.943 178.472 177.300 0.382 0.000 1.157 309 P CA 1.446 64.744 63.100 0.331 0.000 0.880 309 P CB 0.154 32.006 31.700 0.254 0.000 0.791 310 N N -1.422 117.617 118.700 0.566 0.000 2.521 310 N HA -0.043 4.698 4.740 0.001 0.000 0.188 310 N C -0.208 175.341 175.510 0.065 0.000 1.146 310 N CA 0.008 53.108 53.050 0.083 0.000 0.893 310 N CB -0.808 37.360 38.487 -0.531 0.000 0.975 310 N HN -0.019 nan 8.380 nan 0.000 0.451 311 F N 0.401 120.504 119.950 0.255 0.000 2.567 311 F HA 0.142 4.669 4.527 0.001 0.000 0.352 311 F C 1.492 177.389 175.800 0.162 0.000 1.229 311 F CA -0.156 57.971 58.000 0.212 0.000 1.228 311 F CB 0.009 39.126 39.000 0.195 0.000 1.568 311 F HN 0.004 nan 8.300 nan 0.000 0.634 312 T N -0.559 114.132 114.554 0.228 0.000 3.144 312 T HA 0.377 4.727 4.350 0.001 0.000 0.249 312 T C 0.182 174.965 174.700 0.139 0.000 1.089 312 T CA 0.119 62.316 62.100 0.163 0.000 0.989 312 T CB -0.443 68.487 68.868 0.103 0.000 0.992 312 T HN 0.203 nan 8.240 nan 0.000 0.540 313 L N 0.743 122.079 121.223 0.187 0.000 2.388 313 L HA 0.602 4.942 4.340 0.001 0.000 0.264 313 L C -2.681 174.259 176.870 0.117 0.000 0.998 313 L CA -2.927 51.962 54.840 0.082 0.000 0.817 313 L CB 1.797 43.825 42.059 -0.051 0.000 1.338 313 L HN -0.235 nan 8.230 nan 0.000 0.414 314 P HA 0.133 nan 4.420 nan 0.000 0.266 314 P C -0.226 177.117 177.300 0.071 0.000 1.195 314 P CA -0.036 63.071 63.100 0.012 0.000 0.768 314 P CB 0.650 32.321 31.700 -0.049 0.000 0.838 315 G N 0.846 109.745 108.800 0.165 0.000 2.705 315 G HA2 0.273 4.233 3.960 0.001 0.000 0.299 315 G HA3 0.273 4.233 3.960 0.001 0.000 0.299 315 G C -0.701 174.327 174.900 0.213 0.000 1.315 315 G CA -0.505 44.802 45.100 0.345 0.000 1.045 315 G HN 0.292 nan 8.290 nan 0.000 0.517 316 D N 1.065 121.652 120.400 0.312 0.000 2.845 316 D HA 0.216 4.857 4.640 0.001 0.000 0.235 316 D C 0.571 176.925 176.300 0.091 0.000 1.158 316 D CA 0.216 54.322 54.000 0.176 0.000 0.990 316 D CB -0.044 40.899 40.800 0.238 0.000 1.094 316 D HN 0.346 nan 8.370 nan 0.000 0.486 317 T N -2.162 112.426 114.554 0.056 0.000 3.401 317 T HA 0.377 4.727 4.350 0.001 0.000 0.341 317 T C 0.373 175.093 174.700 0.032 0.000 1.674 317 T CA -0.739 61.364 62.100 0.004 0.000 1.600 317 T CB 0.262 69.111 68.868 -0.032 0.000 0.974 317 T HN -0.192 nan 8.240 nan 0.000 0.672 318 S N 1.850 117.575 115.700 0.041 0.000 2.632 318 S HA 0.725 5.195 4.470 0.001 0.000 0.267 318 S C 0.998 175.679 174.600 0.136 0.000 1.276 318 S CA -0.781 57.492 58.200 0.123 0.000 0.998 318 S CB 0.708 63.829 63.200 -0.133 0.000 0.953 318 S HN 1.011 nan 8.310 nan 0.000 0.547 319 A N 1.228 124.181 122.820 0.222 0.000 2.448 319 A HA 0.260 4.581 4.320 0.001 0.000 0.239 319 A C 1.470 179.158 177.584 0.173 0.000 1.080 319 A CA -0.271 51.883 52.037 0.194 0.000 0.779 319 A CB -0.290 18.810 19.000 0.168 0.000 1.026 319 A HN 0.756 nan 8.150 nan 0.000 0.499 320 S N 0.683 116.522 115.700 0.231 0.000 2.365 320 S HA -0.205 4.265 4.470 0.001 0.000 0.225 320 S C 1.572 176.288 174.600 0.192 0.000 1.039 320 S CA 1.837 60.189 58.200 0.254 0.000 1.033 320 S CB -0.450 62.919 63.200 0.282 0.000 0.887 320 S HN 0.978 nan 8.310 nan 0.000 0.447 321 D N 1.116 121.600 120.400 0.139 0.000 2.392 321 D HA -0.138 4.502 4.640 0.001 0.000 0.228 321 D C 1.575 177.879 176.300 0.005 0.000 1.003 321 D CA 0.396 54.452 54.000 0.093 0.000 0.917 321 D CB -0.406 40.446 40.800 0.087 0.000 0.890 321 D HN 0.244 nan 8.370 nan 0.000 0.532 322 R N -0.570 119.879 120.500 -0.085 0.000 2.189 322 R HA -0.065 4.275 4.340 0.001 0.000 0.223 322 R C 0.807 176.743 176.300 -0.606 0.000 1.092 322 R CA 0.829 56.730 56.100 -0.332 0.000 0.989 322 R CB -0.181 29.777 30.300 -0.571 0.000 0.876 322 R HN 0.318 nan 8.270 nan 0.000 0.457 323 F N -2.322 117.481 119.950 -0.246 0.000 2.640 323 F HA 0.220 4.747 4.527 0.001 0.000 0.285 323 F C -0.001 175.521 175.800 -0.463 0.000 1.031 323 F CA -0.496 57.210 58.000 -0.489 0.000 1.240 323 F CB 0.512 38.939 39.000 -0.954 0.000 1.011 323 F HN -0.203 nan 8.300 nan 0.000 0.656 324 Y N 0.797 121.220 120.300 0.206 0.000 2.341 324 Y HA 0.311 4.862 4.550 0.001 0.000 0.338 324 Y C 1.029 176.980 175.900 0.085 0.000 0.965 324 Y CA -1.128 57.048 58.100 0.126 0.000 1.108 324 Y CB 1.594 40.115 38.460 0.102 0.000 1.180 324 Y HN -0.224 nan 8.280 nan 0.000 0.458 325 K N 1.126 121.668 120.400 0.237 0.000 2.026 325 K HA -0.032 4.288 4.320 0.001 0.000 0.208 325 K C -0.244 176.431 176.600 0.125 0.000 1.048 325 K CA 1.298 57.669 56.287 0.142 0.000 0.929 325 K CB 0.071 32.637 32.500 0.109 0.000 0.713 325 K HN 0.651 nan 8.250 nan 0.000 0.439 326 T N 1.677 116.307 114.554 0.127 0.000 2.892 326 T HA 0.120 4.471 4.350 0.001 0.000 0.311 326 T C -1.054 173.664 174.700 0.030 0.000 1.033 326 T CA -0.767 61.372 62.100 0.065 0.000 0.991 326 T CB 1.510 70.394 68.868 0.028 0.000 0.981 326 T HN 0.091 nan 8.240 nan 0.000 0.457 327 D N 1.609 122.033 120.400 0.040 0.000 2.354 327 D HA 0.218 4.859 4.640 0.001 0.000 0.247 327 D C 1.389 177.639 176.300 -0.083 0.000 1.138 327 D CA -0.808 53.179 54.000 -0.021 0.000 0.958 327 D CB 1.021 41.869 40.800 0.079 0.000 1.144 327 D HN 0.538 nan 8.370 nan 0.000 0.458 328 I N -1.377 119.110 120.570 -0.139 0.000 3.578 328 I HA 0.125 4.295 4.170 0.001 0.000 0.295 328 I C 0.948 176.971 176.117 -0.156 0.000 1.280 328 I CA -0.013 61.194 61.300 -0.155 0.000 1.347 328 I CB -0.241 37.638 38.000 -0.203 0.000 1.051 328 I HN 0.197 nan 8.210 nan 0.000 0.460 329 T N -2.102 112.380 114.554 -0.119 0.000 2.807 329 T HA 0.373 4.723 4.350 0.001 0.000 0.277 329 T C -0.247 174.395 174.700 -0.095 0.000 1.006 329 T CA -0.778 61.248 62.100 -0.123 0.000 1.006 329 T CB 1.507 70.316 68.868 -0.099 0.000 1.274 329 T HN 0.272 nan 8.240 nan 0.000 0.569 330 E N 1.840 121.965 120.200 -0.124 0.000 2.442 330 E HA 0.195 4.546 4.350 0.001 0.000 0.262 330 E C -2.127 174.377 176.600 -0.161 0.000 1.004 330 E CA -1.439 54.874 56.400 -0.146 0.000 0.928 330 E CB 0.268 29.853 29.700 -0.193 0.000 0.937 330 E HN 0.345 nan 8.360 nan 0.000 0.446 331 P HA 0.116 nan 4.420 nan 0.000 0.276 331 P C -1.040 176.171 177.300 -0.150 0.000 1.244 331 P CA -0.086 62.995 63.100 -0.031 0.000 0.801 331 P CB 0.386 32.104 31.700 0.030 0.000 1.006 332 F N 0.211 120.176 119.950 0.026 0.000 2.405 332 F HA 0.272 4.799 4.527 0.001 0.000 0.355 332 F C 0.295 176.111 175.800 0.027 0.000 1.121 332 F CA -0.264 57.750 58.000 0.023 0.000 1.112 332 F CB 1.138 40.158 39.000 0.033 0.000 1.126 332 F HN -0.084 nan 8.300 nan 0.000 0.481 333 V N 5.499 125.487 119.914 0.122 0.000 2.495 333 V HA 0.296 4.416 4.120 0.001 0.000 0.298 333 V C -0.294 175.838 176.094 0.063 0.000 1.031 333 V CA -0.989 61.355 62.300 0.072 0.000 0.871 333 V CB 1.741 33.574 31.823 0.016 0.000 0.988 333 V HN 0.474 nan 8.190 nan 0.000 0.432 334 L N 4.035 125.269 121.223 0.018 0.000 2.416 334 L HA 0.464 4.804 4.340 0.001 0.000 0.272 334 L C 0.453 177.305 176.870 -0.029 0.000 1.161 334 L CA 1.099 55.916 54.840 -0.038 0.000 0.845 334 L CB 1.369 43.301 42.059 -0.211 0.000 1.119 334 L HN 0.795 nan 8.230 nan 0.000 0.464 335 S N 3.524 119.227 115.700 0.004 0.000 2.779 335 S HA 0.579 5.049 4.470 0.001 0.000 0.293 335 S C 0.357 174.962 174.600 0.009 0.000 1.150 335 S CA -0.063 58.136 58.200 -0.001 0.000 1.057 335 S CB 0.633 63.835 63.200 0.003 0.000 1.021 335 S HN 1.341 nan 8.310 nan 0.000 0.485 336 G N 3.010 111.800 108.800 -0.017 0.000 2.249 336 G HA2 -0.025 3.936 3.960 0.001 0.000 0.273 336 G HA3 -0.025 3.936 3.960 0.001 0.000 0.273 336 G C 1.246 176.191 174.900 0.074 0.000 1.036 336 G CA 0.646 45.739 45.100 -0.012 0.000 0.824 336 G HN 2.280 nan 8.290 nan 0.000 0.504 337 G N -1.795 107.018 108.800 0.022 0.000 2.153 337 G HA2 -0.281 3.679 3.960 0.001 0.000 0.252 337 G HA3 -0.281 3.679 3.960 0.001 0.000 0.252 337 G C 0.167 175.139 174.900 0.120 0.000 0.994 337 G CA 1.140 46.244 45.100 0.008 0.000 0.698 337 G HN 1.297 nan 8.290 nan 0.000 0.521 338 H N -1.810 117.229 119.070 -0.052 0.000 2.834 338 H HA 0.668 5.225 4.556 0.001 0.000 0.369 338 H C -1.031 174.305 175.328 0.013 0.000 1.174 338 H CA -0.987 55.057 56.048 -0.005 0.000 1.165 338 H CB 2.055 31.822 29.762 0.008 0.000 1.820 338 H HN 0.074 nan 8.280 nan 0.000 0.558 339 L N 3.192 124.505 121.223 0.149 0.000 2.365 339 L HA 0.352 4.692 4.340 0.001 0.000 0.273 339 L C -2.404 174.574 176.870 0.180 0.000 1.000 339 L CA -2.205 52.736 54.840 0.168 0.000 0.819 339 L CB 1.769 43.917 42.059 0.148 0.000 1.284 339 L HN 0.419 nan 8.230 nan 0.000 0.418 340 P HA 0.178 nan 4.420 nan 0.000 0.279 340 P C -0.602 176.798 177.300 0.167 0.000 1.239 340 P CA -0.302 62.881 63.100 0.139 0.000 0.789 340 P CB 1.094 32.843 31.700 0.081 0.000 0.933 341 V N 5.899 125.883 119.914 0.118 0.000 2.572 341 V HA 0.105 4.226 4.120 0.001 0.000 0.291 341 V C -1.712 174.444 176.094 0.103 0.000 1.039 341 V CA -1.086 61.279 62.300 0.108 0.000 1.055 341 V CB -0.115 31.748 31.823 0.067 0.000 0.969 341 V HN 0.581 nan 8.190 nan 0.000 0.482 342 P HA 0.139 nan 4.420 nan 0.000 0.268 342 P C 0.712 178.044 177.300 0.052 0.000 1.205 342 P CA 0.022 63.169 63.100 0.078 0.000 0.771 342 P CB 0.511 32.268 31.700 0.095 0.000 0.858 343 T N -1.472 113.100 114.554 0.030 0.000 2.990 343 T HA 0.239 4.590 4.350 0.001 0.000 0.250 343 T C 1.063 175.783 174.700 0.034 0.000 1.041 343 T CA 0.131 62.250 62.100 0.031 0.000 1.010 343 T CB -0.370 68.510 68.868 0.019 0.000 1.003 343 T HN 0.414 nan 8.240 nan 0.000 0.499 344 G N 2.611 111.427 108.800 0.028 0.000 2.588 344 G HA2 0.533 4.494 3.960 0.001 0.000 0.278 344 G HA3 0.533 4.494 3.960 0.001 0.000 0.278 344 G C -2.721 172.217 174.900 0.063 0.000 1.307 344 G CA -1.445 43.676 45.100 0.035 0.000 1.016 344 G HN 0.176 nan 8.290 nan 0.000 0.503 345 P HA 0.291 nan 4.420 nan 0.000 0.272 345 P C 0.981 178.360 177.300 0.133 0.000 1.223 345 P CA 0.997 64.156 63.100 0.099 0.000 0.784 345 P CB 0.637 32.388 31.700 0.086 0.000 0.923 346 G N 1.257 110.181 108.800 0.207 0.000 2.582 346 G HA2 -0.333 3.627 3.960 0.001 0.000 0.288 346 G HA3 -0.333 3.627 3.960 0.001 0.000 0.288 346 G C 0.936 175.982 174.900 0.245 0.000 1.247 346 G CA 0.322 45.620 45.100 0.330 0.000 0.972 346 G HN 0.482 nan 8.290 nan 0.000 0.557 347 L N 1.606 122.788 121.223 -0.068 0.000 2.261 347 L HA 0.144 4.484 4.340 0.001 0.000 0.216 347 L C 2.741 179.533 176.870 -0.130 0.000 1.114 347 L CA 1.656 56.265 54.840 -0.386 0.000 0.777 347 L CB -0.789 41.065 42.059 -0.342 0.000 0.910 347 L HN 2.132 nan 8.230 nan 0.000 0.440 348 G N -0.083 108.704 108.800 -0.021 0.000 2.179 348 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 348 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 348 G C 0.212 175.094 174.900 -0.030 0.000 0.977 348 G CA 0.256 45.355 45.100 -0.002 0.000 0.641 348 G HN 0.401 nan 8.290 nan 0.000 0.533 349 V N -3.978 115.909 119.914 -0.046 0.000 3.206 349 V HA 1.060 5.181 4.120 0.001 0.000 0.305 349 V C -0.163 175.874 176.094 -0.096 0.000 1.257 349 V CA -0.430 61.827 62.300 -0.072 0.000 1.057 349 V CB 1.647 33.435 31.823 -0.059 0.000 1.075 349 V HN 2.094 nan 8.190 nan 0.000 0.443 350 A N 1.533 124.262 122.820 -0.151 0.000 2.604 350 A HA 0.986 5.306 4.320 0.001 0.000 0.295 350 A C -3.353 174.033 177.584 -0.330 0.000 1.067 350 A CA -1.417 50.461 52.037 -0.266 0.000 0.683 350 A CB 1.695 20.622 19.000 -0.121 0.000 1.281 350 A HN 0.756 nan 8.150 nan 0.000 0.407 351 P HA 0.451 nan 4.420 nan 0.000 0.275 351 P C -0.739 176.407 177.300 -0.257 0.000 1.228 351 P CA 0.045 62.875 63.100 -0.450 0.000 0.786 351 P CB 0.316 31.599 31.700 -0.696 0.000 0.927 352 I N 5.409 125.871 120.570 -0.179 0.000 2.337 352 I HA 0.132 4.302 4.170 0.001 0.000 0.291 352 I C -1.260 174.802 176.117 -0.091 0.000 1.046 352 I CA -1.775 59.459 61.300 -0.109 0.000 1.324 352 I CB 0.804 38.752 38.000 -0.087 0.000 1.409 352 I HN 0.313 nan 8.210 nan 0.000 0.494 353 P HA -0.230 nan 4.420 nan 0.000 0.217 353 P C 1.165 178.450 177.300 -0.024 0.000 1.162 353 P CA 1.498 64.583 63.100 -0.025 0.000 0.901 353 P CB 0.258 31.960 31.700 0.003 0.000 0.793 354 E N -1.318 118.866 120.200 -0.025 0.000 2.150 354 E HA -0.124 4.226 4.350 0.001 0.000 0.193 354 E C 1.911 178.493 176.600 -0.030 0.000 0.985 354 E CA 0.747 57.135 56.400 -0.021 0.000 0.814 354 E CB -0.931 28.759 29.700 -0.018 0.000 0.752 354 E HN 0.077 nan 8.360 nan 0.000 0.466 355 L N -0.035 121.161 121.223 -0.046 0.000 2.027 355 L HA -0.107 4.233 4.340 0.001 0.000 0.206 355 L C 2.114 178.944 176.870 -0.067 0.000 1.074 355 L CA 1.260 56.066 54.840 -0.057 0.000 0.745 355 L CB -0.890 41.125 42.059 -0.074 0.000 0.898 355 L HN 0.225 nan 8.230 nan 0.000 0.433 356 L N -0.542 120.633 121.223 -0.080 0.000 2.027 356 L HA -0.175 4.166 4.340 0.001 0.000 0.206 356 L C 2.081 178.931 176.870 -0.033 0.000 1.074 356 L CA 1.778 56.569 54.840 -0.080 0.000 0.745 356 L CB -0.906 41.090 42.059 -0.104 0.000 0.898 356 L HN 0.275 nan 8.230 nan 0.000 0.433 357 D N -0.333 120.058 120.400 -0.015 0.000 2.182 357 D HA -0.224 4.416 4.640 0.001 0.000 0.201 357 D C 2.031 178.330 176.300 -0.002 0.000 0.986 357 D CA 1.193 55.196 54.000 0.005 0.000 0.847 357 D CB -0.060 40.747 40.800 0.011 0.000 0.942 357 D HN 0.548 nan 8.370 nan 0.000 0.467 358 E N 0.451 120.644 120.200 -0.013 0.000 2.150 358 E HA -0.109 4.241 4.350 0.001 0.000 0.193 358 E C 1.924 178.517 176.600 -0.011 0.000 0.985 358 E CA 0.713 57.107 56.400 -0.010 0.000 0.814 358 E CB 0.380 30.073 29.700 -0.012 0.000 0.752 358 E HN 0.241 nan 8.360 nan 0.000 0.466 359 V N -1.858 118.042 119.914 -0.022 0.000 3.647 359 V HA 0.141 4.262 4.120 0.001 0.000 0.279 359 V C 0.887 176.976 176.094 -0.008 0.000 1.314 359 V CA -0.050 62.236 62.300 -0.023 0.000 1.125 359 V CB 0.222 32.011 31.823 -0.057 0.000 0.907 359 V HN -0.122 nan 8.190 nan 0.000 0.434 360 T N 2.800 117.356 114.554 0.003 0.000 2.834 360 T HA 0.292 4.642 4.350 0.001 0.000 0.298 360 T C 1.410 176.125 174.700 0.024 0.000 0.966 360 T CA 0.993 63.105 62.100 0.020 0.000 1.141 360 T CB 1.218 70.107 68.868 0.034 0.000 0.905 360 T HN 0.774 nan 8.240 nan 0.000 0.535 361 T N -0.057 114.515 114.554 0.030 0.000 3.015 361 T HA 0.597 4.948 4.350 0.001 0.000 0.250 361 T C 0.487 175.208 174.700 0.035 0.000 1.057 361 T CA 0.078 62.197 62.100 0.031 0.000 1.066 361 T CB 0.399 69.286 68.868 0.032 0.000 0.959 361 T HN 0.745 nan 8.240 nan 0.000 0.488 362 A N 0.209 123.053 122.820 0.040 0.000 2.599 362 A HA 0.735 5.056 4.320 0.001 0.000 0.294 362 A C -1.520 176.093 177.584 0.048 0.000 1.055 362 A CA -0.976 51.085 52.037 0.041 0.000 0.683 362 A CB 1.538 20.561 19.000 0.039 0.000 1.278 362 A HN 0.254 nan 8.150 nan 0.000 0.412 363 K N 0.679 121.108 120.400 0.049 0.000 2.546 363 K HA 0.720 5.040 4.320 0.001 0.000 0.264 363 K C -2.034 174.601 176.600 0.058 0.000 0.937 363 K CA -0.495 55.828 56.287 0.061 0.000 0.833 363 K CB 2.446 34.989 32.500 0.073 0.000 1.378 363 K HN 0.836 nan 8.250 nan 0.000 0.432 364 V N 2.476 122.427 119.914 0.062 0.000 2.969 364 V HA 0.421 4.542 4.120 0.001 0.000 0.304 364 V C -1.251 174.903 176.094 0.100 0.000 1.192 364 V CA -1.053 61.284 62.300 0.061 0.000 0.962 364 V CB 1.943 33.765 31.823 -0.003 0.000 1.045 364 V HN 0.830 nan 8.190 nan 0.000 0.428 365 W N 5.618 126.881 121.300 -0.060 0.000 2.361 365 W HA 0.609 5.269 4.660 0.001 0.000 0.309 365 W C -1.643 174.824 176.519 -0.087 0.000 1.122 365 W CA -0.694 56.608 57.345 -0.072 0.000 1.208 365 W CB 1.356 30.780 29.460 -0.060 0.000 1.246 365 W HN 0.413 nan 8.180 nan 0.000 0.490 366 I N 7.265 127.263 120.570 -0.955 0.000 2.371 366 I HA 0.340 4.510 4.170 0.001 0.000 0.282 366 I C 0.623 176.044 176.117 -1.161 0.000 1.031 366 I CA -0.215 60.592 61.300 -0.822 0.000 1.180 366 I CB 0.216 37.888 38.000 -0.547 0.000 1.336 366 I HN 0.507 nan 8.210 nan 0.000 0.467 367 G N 3.921 112.223 108.800 -0.831 0.000 3.013 367 G HA2 0.613 4.573 3.960 0.001 0.000 0.278 367 G HA3 0.613 4.573 3.960 0.001 0.000 0.278 367 G C -0.333 174.456 174.900 -0.186 0.000 1.353 367 G CA -0.355 44.488 45.100 -0.429 0.000 1.043 367 G HN 0.456 nan 8.290 nan 0.000 0.523 368 S N 0.000 115.661 115.700 -0.065 0.000 2.498 368 S HA 0.000 4.470 4.470 0.001 0.000 0.327 368 S CA 0.000 58.168 58.200 -0.053 0.000 1.107 368 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 368 S HN 0.000 nan 8.310 nan 0.000 0.517