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 1wvm_1_B DATA FIRST_RESID 1 DATA SEQUENCE AETTPWGQTF VGATVLSDSQ AGNRTIcIID SGYDRSHNDL NANNVTGTNN DATA SEQUENCE SGTGNWYQPG NNNAHGTHVA GTIAAIANNE GVVGVMPNQN ANIHIVKVFN DATA SEQUENCE EAGWGYSSSL VAAIDTcVNS GGANVVTMSL GGSGSTTTER NALNTHYNNG DATA SEQUENCE VLLIAAAGNA GDSSYSYPAS YDSVMSVAAV DSNLDHAAFS QYTDQVEISG DATA SEQUENCE PGEAILSTVT VGEGRLADIT IGGQSYFSNG VVPHNRLTPS GTSYAPAPIN DATA SEQUENCE ASATGALAEc TVNGTSFScG NMANKIcLVE RVGNQGSSYP EINSTKAcKT DATA SEQUENCE AGAKGIIVYS NSALPGLQNP FLVDANSDIT VPSVSVDRAT GLALKAKLGQ DATA SEQUENCE STTVSNQGNQ DYEYYNGTSM ATPHVSGVAT LVWSYHPEcS ASQVRAALNA DATA SEQUENCE TADDLSVAGR DNQTGYGMIN AVAAKAYLDE ScTGPT 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.534 177.584 -0.083 0.000 1.274 1 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 1 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 2 E N 0.288 120.458 120.200 -0.051 0.000 2.199 2 E HA 0.674 5.024 4.350 -0.000 0.000 0.269 2 E C -0.888 175.702 176.600 -0.016 0.000 0.899 2 E CA -0.326 56.042 56.400 -0.052 0.000 0.772 2 E CB 1.634 31.316 29.700 -0.030 0.000 1.155 2 E HN 0.603 nan 8.360 nan 0.000 0.408 3 T N 2.526 117.073 114.554 -0.011 0.000 2.859 3 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 3 T C -0.658 174.056 174.700 0.023 0.000 1.005 3 T CA -0.543 61.592 62.100 0.059 0.000 1.025 3 T CB 1.558 70.542 68.868 0.193 0.000 0.977 3 T HN 0.330 nan 8.240 nan 0.000 0.458 4 T N 5.830 120.411 114.554 0.044 0.000 2.853 4 T HA 0.372 4.722 4.350 -0.000 0.000 0.317 4 T C -2.145 172.582 174.700 0.045 0.000 1.059 4 T CA -1.164 60.957 62.100 0.034 0.000 0.954 4 T CB 0.595 69.496 68.868 0.055 0.000 0.994 4 T HN 0.404 nan 8.240 nan 0.000 0.479 5 P HA -0.028 nan 4.420 nan 0.000 0.267 5 P C 1.436 178.733 177.300 -0.004 0.000 1.200 5 P CA -0.501 62.581 63.100 -0.030 0.000 0.772 5 P CB 0.751 32.360 31.700 -0.152 0.000 0.855 6 W N 2.664 123.955 121.300 -0.016 0.000 2.325 6 W HA -0.154 4.506 4.660 -0.000 0.000 0.299 6 W C 1.401 177.851 176.519 -0.113 0.000 1.215 6 W CA 1.367 58.664 57.345 -0.080 0.000 1.244 6 W CB -2.368 26.920 29.460 -0.285 0.000 1.140 6 W HN 0.422 nan 8.180 nan 0.000 0.523 7 G N 1.538 109.713 108.800 -1.042 0.000 2.442 7 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 7 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 7 G C 1.645 176.443 174.900 -0.170 0.000 1.141 7 G CA 1.258 45.773 45.100 -0.975 0.000 0.763 7 G HN 0.240 nan 8.290 nan 0.000 0.554 8 Q N 0.219 120.008 119.800 -0.018 0.000 2.084 8 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 8 Q C 2.775 178.857 176.000 0.137 0.000 0.978 8 Q CA 1.740 57.591 55.803 0.080 0.000 0.844 8 Q CB -1.066 27.693 28.738 0.035 0.000 0.898 8 Q HN 0.441 nan 8.270 nan 0.000 0.426 9 T N 0.867 115.542 114.554 0.201 0.000 2.737 9 T HA -0.042 4.308 4.350 -0.000 0.000 0.265 9 T C 1.712 176.608 174.700 0.326 0.000 1.038 9 T CA 0.853 63.108 62.100 0.259 0.000 1.144 9 T CB -0.405 68.658 68.868 0.325 0.000 0.866 9 T HN 0.211 nan 8.240 nan 0.000 0.434 10 F N 1.329 121.354 119.950 0.125 0.000 2.171 10 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 10 F C 2.387 178.236 175.800 0.081 0.000 1.090 10 F CA 0.618 58.702 58.000 0.139 0.000 1.293 10 F CB -0.236 38.921 39.000 0.262 0.000 1.013 10 F HN 0.070 nan 8.300 nan 0.000 0.486 11 V N -2.535 117.521 119.914 0.237 0.000 3.623 11 V HA 0.427 4.547 4.120 -0.000 0.000 0.271 11 V C 1.464 177.626 176.094 0.113 0.000 1.248 11 V CA 0.749 63.139 62.300 0.150 0.000 1.156 11 V CB -0.360 31.544 31.823 0.135 0.000 0.870 11 V HN 0.464 nan 8.190 nan 0.000 0.453 12 G N -0.287 108.579 108.800 0.110 0.000 2.157 12 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 12 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 12 G C 0.982 175.929 174.900 0.078 0.000 0.979 12 G CA 0.378 45.525 45.100 0.077 0.000 0.650 12 G HN 1.403 nan 8.290 nan 0.000 0.529 13 A N 0.164 123.040 122.820 0.092 0.000 2.067 13 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 13 A C 2.471 180.099 177.584 0.073 0.000 1.158 13 A CA 2.652 54.739 52.037 0.083 0.000 0.661 13 A CB -0.656 18.391 19.000 0.078 0.000 0.801 13 A HN 1.555 nan 8.150 nan 0.000 0.452 14 T N -2.727 111.871 114.554 0.074 0.000 3.148 14 T HA 0.135 4.485 4.350 -0.000 0.000 0.253 14 T C 1.002 175.736 174.700 0.057 0.000 1.134 14 T CA 1.045 63.183 62.100 0.064 0.000 1.051 14 T CB -0.160 68.750 68.868 0.070 0.000 0.959 14 T HN 0.782 nan 8.240 nan 0.000 0.525 15 V N -2.256 117.692 119.914 0.056 0.000 3.432 15 V HA 0.596 4.716 4.120 -0.000 0.000 0.298 15 V C -0.140 175.982 176.094 0.047 0.000 1.464 15 V CA -0.764 61.563 62.300 0.045 0.000 1.046 15 V CB 0.059 31.902 31.823 0.033 0.000 0.887 15 V HN 0.315 nan 8.190 nan 0.000 0.441 16 L N 1.596 122.857 121.223 0.064 0.000 2.342 16 L HA 0.725 5.065 4.340 -0.000 0.000 0.276 16 L C 0.144 177.102 176.870 0.146 0.000 0.997 16 L CA -0.298 54.592 54.840 0.084 0.000 0.838 16 L CB 1.628 43.725 42.059 0.063 0.000 1.224 16 L HN 0.223 nan 8.230 nan 0.000 0.416 17 S N 2.169 117.981 115.700 0.186 0.000 2.560 17 S HA 0.113 4.583 4.470 -0.000 0.000 0.284 17 S C 0.672 175.372 174.600 0.167 0.000 1.327 17 S CA 0.147 58.446 58.200 0.164 0.000 1.055 17 S CB 0.314 63.601 63.200 0.144 0.000 0.868 17 S HN 0.752 nan 8.310 nan 0.000 0.506 18 D N 2.549 122.995 120.400 0.075 0.000 2.395 18 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 18 D C 1.476 177.749 176.300 -0.044 0.000 1.146 18 D CA 0.350 54.364 54.000 0.024 0.000 0.830 18 D CB -0.464 40.354 40.800 0.030 0.000 0.958 18 D HN 0.459 nan 8.370 nan 0.000 0.501 19 S N 0.003 115.669 115.700 -0.057 0.000 2.440 19 S HA -0.215 4.255 4.470 -0.000 0.000 0.238 19 S C 1.489 176.007 174.600 -0.136 0.000 1.010 19 S CA 0.753 58.906 58.200 -0.078 0.000 0.972 19 S CB -0.239 62.928 63.200 -0.056 0.000 0.774 19 S HN 0.183 nan 8.310 nan 0.000 0.501 20 Q N 0.307 119.965 119.800 -0.237 0.000 2.282 20 Q HA 0.435 4.775 4.340 -0.000 0.000 0.206 20 Q C 2.051 177.933 176.000 -0.197 0.000 0.878 20 Q CA 0.691 56.335 55.803 -0.264 0.000 0.944 20 Q CB -0.305 28.156 28.738 -0.462 0.000 1.100 20 Q HN 0.684 nan 8.270 nan 0.000 0.509 21 A N 1.041 123.775 122.820 -0.144 0.000 2.186 21 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 21 A C 2.124 179.653 177.584 -0.091 0.000 1.159 21 A CA 1.463 53.445 52.037 -0.093 0.000 0.680 21 A CB -0.822 18.151 19.000 -0.044 0.000 0.787 21 A HN 0.408 nan 8.150 nan 0.000 0.467 22 G N 0.818 109.562 108.800 -0.093 0.000 2.498 22 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 22 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 22 G C 1.099 175.938 174.900 -0.102 0.000 1.119 22 G CA 0.883 45.933 45.100 -0.083 0.000 0.766 22 G HN 0.927 nan 8.290 nan 0.000 0.552 23 N N -0.812 117.812 118.700 -0.127 0.000 2.398 23 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 23 N C 0.194 175.586 175.510 -0.197 0.000 1.122 23 N CA -0.257 52.703 53.050 -0.149 0.000 0.866 23 N CB 0.335 38.731 38.487 -0.152 0.000 0.970 23 N HN 0.014 nan 8.380 nan 0.000 0.462 24 R N 0.352 120.744 120.500 -0.179 0.000 2.832 24 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 24 R C -0.868 175.346 176.300 -0.142 0.000 0.996 24 R CA -0.390 55.583 56.100 -0.212 0.000 0.977 24 R CB 1.747 31.946 30.300 -0.169 0.000 1.168 24 R HN -0.049 nan 8.270 nan 0.000 0.482 25 T N 1.931 116.400 114.554 -0.142 0.000 2.928 25 T HA 0.468 4.818 4.350 -0.000 0.000 0.296 25 T C -0.437 174.233 174.700 -0.049 0.000 1.000 25 T CA -0.496 61.550 62.100 -0.090 0.000 0.989 25 T CB 1.356 70.161 68.868 -0.105 0.000 1.005 25 T HN 0.477 nan 8.240 nan 0.000 0.442 26 I N 2.374 122.935 120.570 -0.015 0.000 2.404 26 I HA 0.641 4.811 4.170 -0.000 0.000 0.293 26 I C -0.637 175.490 176.117 0.018 0.000 0.992 26 I CA -0.679 60.634 61.300 0.022 0.000 1.149 26 I CB 0.680 38.706 38.000 0.042 0.000 1.315 26 I HN 0.709 nan 8.210 nan 0.000 0.446 27 c N 8.361 126.979 118.600 0.031 0.000 2.303 27 c HA 0.584 5.154 4.570 -0.000 0.000 0.326 27 c C -0.078 174.032 174.090 0.033 0.000 1.285 27 c CA -0.649 55.700 56.329 0.034 0.000 1.675 27 c CB -0.065 42.471 42.510 0.044 0.000 2.289 27 c HN 0.663 nan 8.230 nan 0.000 0.512 28 I N 7.577 128.156 120.570 0.015 0.000 2.328 28 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 28 I C -0.140 176.000 176.117 0.038 0.000 1.012 28 I CA -0.069 61.257 61.300 0.043 0.000 1.195 28 I CB 0.839 38.878 38.000 0.065 0.000 1.350 28 I HN 0.500 nan 8.210 nan 0.000 0.464 29 I N 6.430 127.033 120.570 0.056 0.000 2.291 29 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 29 I C 0.044 176.226 176.117 0.108 0.000 1.064 29 I CA 0.423 61.748 61.300 0.041 0.000 1.269 29 I CB 0.347 38.373 38.000 0.044 0.000 1.418 29 I HN 0.696 nan 8.210 nan 0.000 0.485 30 D N 2.702 123.172 120.400 0.115 0.000 3.831 30 D HA 0.116 4.756 4.640 -0.000 0.000 0.327 30 D C 0.179 176.603 176.300 0.208 0.000 1.505 30 D CA -0.118 53.995 54.000 0.189 0.000 0.976 30 D CB 1.369 42.285 40.800 0.194 0.000 1.421 30 D HN 0.291 nan 8.370 nan 0.000 0.624 31 S N 0.066 115.889 115.700 0.205 0.000 2.618 31 S HA 0.540 5.010 4.470 -0.000 0.000 0.242 31 S C 0.736 175.436 174.600 0.168 0.000 0.972 31 S CA 0.837 59.155 58.200 0.197 0.000 1.004 31 S CB -0.135 63.167 63.200 0.171 0.000 0.778 31 S HN 0.923 nan 8.310 nan 0.000 0.459 32 G N 0.313 109.224 108.800 0.186 0.000 2.603 32 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.686 32 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.686 32 G C -1.254 173.825 174.900 0.298 0.000 1.286 32 G CA -0.648 44.589 45.100 0.229 0.000 0.871 32 G HN 0.787 nan 8.290 nan 0.000 0.568 33 Y N 0.714 121.126 120.300 0.188 0.000 2.331 33 Y HA 0.528 5.078 4.550 -0.000 0.000 0.326 33 Y C -0.410 175.562 175.900 0.121 0.000 1.020 33 Y CA -0.810 57.396 58.100 0.177 0.000 1.136 33 Y CB 1.968 40.623 38.460 0.325 0.000 1.157 33 Y HN 0.648 nan 8.280 nan 0.000 0.444 34 D N 5.676 126.061 120.400 -0.025 0.000 2.416 34 D HA 0.051 4.691 4.640 -0.000 0.000 0.240 34 D C 1.132 177.432 176.300 0.001 0.000 1.250 34 D CA 0.336 54.337 54.000 0.001 0.000 0.967 34 D CB 0.443 41.226 40.800 -0.029 0.000 1.059 34 D HN 0.775 nan 8.370 nan 0.000 0.512 35 R N 1.581 122.204 120.500 0.205 0.000 2.285 35 R HA -0.098 4.242 4.340 -0.000 0.000 0.213 35 R C 1.659 178.024 176.300 0.109 0.000 1.068 35 R CA 1.058 57.315 56.100 0.262 0.000 1.004 35 R CB 0.184 30.610 30.300 0.210 0.000 0.873 35 R HN 0.378 nan 8.270 nan 0.000 0.467 36 S N -1.688 114.046 115.700 0.057 0.000 2.527 36 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 36 S C 0.510 175.110 174.600 -0.000 0.000 0.985 36 S CA -0.186 58.023 58.200 0.015 0.000 0.921 36 S CB -0.217 62.980 63.200 -0.006 0.000 0.772 36 S HN 0.433 nan 8.310 nan 0.000 0.529 37 H N 2.389 121.409 119.070 -0.084 0.000 2.886 37 H HA 0.240 4.796 4.556 -0.000 0.000 0.329 37 H C 1.595 176.877 175.328 -0.076 0.000 1.044 37 H CA 0.402 56.377 56.048 -0.122 0.000 1.456 37 H CB 0.407 30.046 29.762 -0.205 0.000 1.464 37 H HN 0.249 nan 8.280 nan 0.000 0.573 38 N N 3.038 121.694 118.700 -0.073 0.000 2.272 38 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 38 N C 0.277 175.896 175.510 0.181 0.000 1.014 38 N CA 1.191 54.270 53.050 0.048 0.000 0.870 38 N CB 0.175 38.651 38.487 -0.019 0.000 0.975 38 N HN 0.689 nan 8.380 nan 0.000 0.433 39 D N -0.158 120.491 120.400 0.415 0.000 2.340 39 D HA 0.136 4.776 4.640 -0.000 0.000 0.220 39 D C 1.266 177.595 176.300 0.049 0.000 1.039 39 D CA 0.206 54.320 54.000 0.191 0.000 0.866 39 D CB 0.476 41.367 40.800 0.151 0.000 0.913 39 D HN 0.363 nan 8.370 nan 0.000 0.523 40 L N -1.069 120.187 121.223 0.055 0.000 2.902 40 L HA 0.163 4.503 4.340 -0.000 0.000 0.254 40 L C 1.713 178.704 176.870 0.201 0.000 1.115 40 L CA -0.065 54.792 54.840 0.029 0.000 0.947 40 L CB 0.149 41.993 42.059 -0.359 0.000 1.369 40 L HN -0.166 nan 8.230 nan 0.000 0.538 41 N N 1.915 120.704 118.700 0.149 0.000 2.061 41 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 41 N C 1.464 177.050 175.510 0.127 0.000 1.030 41 N CA 1.808 54.943 53.050 0.142 0.000 0.856 41 N CB 0.083 38.615 38.487 0.075 0.000 1.023 41 N HN 0.310 nan 8.380 nan 0.000 0.424 42 A N -0.668 122.212 122.820 0.100 0.000 2.370 42 A HA 0.175 4.495 4.320 -0.000 0.000 0.238 42 A C 0.241 177.871 177.584 0.076 0.000 1.289 42 A CA -0.410 51.670 52.037 0.073 0.000 0.885 42 A CB -0.351 18.678 19.000 0.049 0.000 0.961 42 A HN 0.254 nan 8.150 nan 0.000 0.499 43 N N 0.466 119.235 118.700 0.115 0.000 2.445 43 N HA 0.091 4.831 4.740 -0.000 0.000 0.264 43 N C -0.567 174.975 175.510 0.053 0.000 1.227 43 N CA -0.086 53.019 53.050 0.093 0.000 0.963 43 N CB 0.265 38.841 38.487 0.149 0.000 1.188 43 N HN 0.335 nan 8.380 nan 0.000 0.491 44 N N -0.229 118.483 118.700 0.020 0.000 2.895 44 N HA 0.147 4.887 4.740 -0.000 0.000 0.277 44 N C -0.768 174.721 175.510 -0.035 0.000 1.185 44 N CA -0.192 52.855 53.050 -0.004 0.000 1.106 44 N CB 0.604 39.082 38.487 -0.015 0.000 1.422 44 N HN 0.116 nan 8.380 nan 0.000 0.521 45 V N 1.488 121.376 119.914 -0.044 0.000 2.628 45 V HA 0.679 4.799 4.120 -0.000 0.000 0.306 45 V C -0.095 175.912 176.094 -0.146 0.000 1.045 45 V CA -0.185 62.019 62.300 -0.161 0.000 0.905 45 V CB 1.818 33.463 31.823 -0.297 0.000 0.997 45 V HN 0.600 nan 8.190 nan 0.000 0.436 46 T N 2.469 116.792 114.554 -0.384 0.000 2.812 46 T HA 0.956 5.306 4.350 -0.000 0.000 0.294 46 T C -0.249 173.595 174.700 -1.426 0.000 1.159 46 T CA -0.338 61.480 62.100 -0.469 0.000 1.008 46 T CB 1.757 70.574 68.868 -0.085 0.000 1.289 46 T HN 1.457 nan 8.240 nan 0.000 0.514 47 G N -0.526 107.331 108.800 -1.573 0.000 2.646 47 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 47 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 47 G C -1.498 172.858 174.900 -0.906 0.000 1.445 47 G CA -0.768 43.018 45.100 -2.190 0.000 0.814 47 G HN 0.808 nan 8.290 nan 0.000 0.495 48 T N 2.174 116.437 114.554 -0.485 0.000 2.833 48 T HA 0.385 4.735 4.350 -0.000 0.000 0.297 48 T C 0.017 174.792 174.700 0.124 0.000 1.015 48 T CA -0.649 61.462 62.100 0.018 0.000 0.963 48 T CB 0.712 69.681 68.868 0.169 0.000 0.955 48 T HN 0.407 nan 8.240 nan 0.000 0.449 49 N N 3.486 122.322 118.700 0.226 0.000 2.453 49 N HA 0.131 4.871 4.740 -0.000 0.000 0.253 49 N C -0.028 175.545 175.510 0.105 0.000 1.252 49 N CA 0.079 53.250 53.050 0.202 0.000 0.917 49 N CB 0.466 39.055 38.487 0.170 0.000 1.117 49 N HN 0.609 nan 8.380 nan 0.000 0.442 50 N N -0.877 117.859 118.700 0.060 0.000 2.238 50 N HA 0.063 4.803 4.740 -0.000 0.000 0.302 50 N C 0.647 176.111 175.510 -0.077 0.000 1.072 50 N CA -0.336 52.674 53.050 -0.067 0.000 0.792 50 N CB 1.172 39.553 38.487 -0.177 0.000 1.425 50 N HN 0.449 nan 8.380 nan 0.000 0.478 51 S N 1.615 117.251 115.700 -0.106 0.000 2.420 51 S HA -0.116 4.354 4.470 -0.000 0.000 0.237 51 S C 1.532 176.088 174.600 -0.072 0.000 1.023 51 S CA 1.424 59.579 58.200 -0.075 0.000 0.991 51 S CB -0.387 62.769 63.200 -0.074 0.000 0.792 51 S HN 0.679 nan 8.310 nan 0.000 0.488 52 G N 0.709 109.449 108.800 -0.101 0.000 2.939 52 G HA2 0.231 4.191 3.960 -0.000 0.000 0.210 52 G HA3 0.231 4.191 3.960 -0.000 0.000 0.210 52 G C 0.963 175.830 174.900 -0.056 0.000 1.160 52 G CA 0.608 45.663 45.100 -0.074 0.000 0.770 52 G HN 0.720 nan 8.290 nan 0.000 0.543 53 T N -3.208 111.320 114.554 -0.044 0.000 3.288 53 T HA 0.504 4.854 4.350 -0.000 0.000 0.293 53 T C 1.326 176.007 174.700 -0.033 0.000 1.008 53 T CA 0.771 62.855 62.100 -0.026 0.000 0.929 53 T CB 0.666 69.534 68.868 -0.000 0.000 1.152 53 T HN 1.138 nan 8.240 nan 0.000 0.517 54 G N 2.760 111.530 108.800 -0.049 0.000 2.596 54 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.295 54 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.295 54 G C -0.491 174.332 174.900 -0.128 0.000 1.240 54 G CA -0.156 44.892 45.100 -0.086 0.000 0.985 54 G HN 0.653 nan 8.290 nan 0.000 0.555 55 N N 1.952 120.484 118.700 -0.280 0.000 2.455 55 N HA 0.225 4.964 4.740 -0.000 0.000 0.280 55 N C 1.507 176.728 175.510 -0.481 0.000 1.055 55 N CA 0.109 52.825 53.050 -0.557 0.000 0.961 55 N CB 0.663 38.416 38.487 -1.223 0.000 1.121 55 N HN 0.766 nan 8.380 nan 0.000 0.476 56 W N 3.348 124.498 121.300 -0.250 0.000 2.392 56 W HA -0.186 4.474 4.660 -0.000 0.000 0.279 56 W C 0.627 177.133 176.519 -0.021 0.000 1.225 56 W CA 0.531 57.819 57.345 -0.095 0.000 1.233 56 W CB -0.834 28.599 29.460 -0.044 0.000 1.122 56 W HN 0.627 nan 8.180 nan 0.000 0.561 57 Y N 1.076 120.887 120.300 -0.816 0.000 2.471 57 Y HA 0.408 4.958 4.550 -0.000 0.000 0.286 57 Y C 0.496 176.237 175.900 -0.264 0.000 1.188 57 Y CA -0.091 57.583 58.100 -0.711 0.000 1.286 57 Y CB -0.861 36.822 38.460 -1.296 0.000 1.072 57 Y HN -0.005 nan 8.280 nan 0.000 0.517 58 Q N 2.612 122.207 119.800 -0.342 0.000 2.616 58 Q HA 0.215 4.555 4.340 -0.000 0.000 0.250 58 Q C -2.204 173.737 176.000 -0.098 0.000 0.991 58 Q CA -2.101 53.593 55.803 -0.181 0.000 0.707 58 Q CB 1.777 30.352 28.738 -0.273 0.000 1.247 58 Q HN 0.085 nan 8.270 nan 0.000 0.491 59 P HA -0.162 nan 4.420 nan 0.000 0.220 59 P C 0.707 178.014 177.300 0.013 0.000 1.148 59 P CA 1.672 64.787 63.100 0.026 0.000 0.803 59 P CB 0.494 32.228 31.700 0.056 0.000 0.782 60 G N 0.168 108.965 108.800 -0.004 0.000 2.545 60 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 60 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 60 G C -0.903 174.006 174.900 0.015 0.000 1.314 60 G CA -0.591 44.508 45.100 -0.002 0.000 0.906 60 G HN 0.266 nan 8.290 nan 0.000 0.563 61 N N 2.167 120.879 118.700 0.019 0.000 2.473 61 N HA 0.393 5.132 4.740 -0.000 0.000 0.291 61 N C 0.459 175.992 175.510 0.038 0.000 1.083 61 N CA -0.093 52.973 53.050 0.026 0.000 0.951 61 N CB 0.814 39.313 38.487 0.020 0.000 1.164 61 N HN 0.694 nan 8.380 nan 0.000 0.480 62 N N 0.806 119.533 118.700 0.045 0.000 2.725 62 N HA -0.240 4.500 4.740 -0.000 0.000 0.251 62 N C -0.669 174.879 175.510 0.064 0.000 1.031 62 N CA 0.590 53.673 53.050 0.054 0.000 0.720 62 N CB -1.105 37.407 38.487 0.042 0.000 0.930 62 N HN 0.630 nan 8.380 nan 0.000 0.543 63 N N -0.894 117.852 118.700 0.077 0.000 2.628 63 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 63 N C 0.436 176.017 175.510 0.118 0.000 1.834 63 N CA 0.288 53.393 53.050 0.093 0.000 0.871 63 N CB 0.337 38.873 38.487 0.082 0.000 1.377 63 N HN 0.275 nan 8.380 nan 0.000 0.493 64 A N -0.656 122.251 122.820 0.145 0.000 2.251 64 A HA -0.029 4.291 4.320 -0.000 0.000 0.209 64 A C 1.798 179.509 177.584 0.212 0.000 1.187 64 A CA 0.275 52.403 52.037 0.153 0.000 0.823 64 A CB -0.717 18.374 19.000 0.152 0.000 0.846 64 A HN 0.621 nan 8.150 nan 0.000 0.486 65 H N 0.614 119.781 119.070 0.161 0.000 2.289 65 H HA -0.198 4.358 4.556 -0.000 0.000 0.294 65 H C 2.195 177.599 175.328 0.127 0.000 1.095 65 H CA 2.214 58.372 56.048 0.184 0.000 1.256 65 H CB -0.329 29.457 29.762 0.040 0.000 1.359 65 H HN 0.435 nan 8.280 nan 0.000 0.487 66 G N -1.000 107.920 108.800 0.200 0.000 2.448 66 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 66 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 66 G C 1.746 176.677 174.900 0.050 0.000 1.127 66 G CA 1.144 46.327 45.100 0.138 0.000 0.766 66 G HN 0.420 nan 8.290 nan 0.000 0.552 67 T N -0.602 113.954 114.554 0.003 0.000 2.904 67 T HA -0.040 4.310 4.350 -0.000 0.000 0.267 67 T C 1.989 176.560 174.700 -0.216 0.000 1.059 67 T CA 0.898 62.912 62.100 -0.144 0.000 1.137 67 T CB -0.265 68.510 68.868 -0.155 0.000 0.879 67 T HN 0.376 nan 8.240 nan 0.000 0.467 68 H N 0.808 119.712 119.070 -0.276 0.000 2.326 68 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 68 H C 2.254 177.397 175.328 -0.309 0.000 1.081 68 H CA 1.272 57.086 56.048 -0.391 0.000 1.334 68 H CB -0.286 29.120 29.762 -0.592 0.000 1.385 68 H HN 0.131 nan 8.280 nan 0.000 0.504 69 V N 1.365 121.219 119.914 -0.100 0.000 2.287 69 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 69 V C 3.034 179.068 176.094 -0.101 0.000 1.053 69 V CA 1.736 63.980 62.300 -0.093 0.000 1.027 69 V CB -1.205 30.581 31.823 -0.063 0.000 0.646 69 V HN 0.563 nan 8.190 nan 0.000 0.447 70 A N 0.359 123.137 122.820 -0.070 0.000 1.933 70 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 70 A C 2.402 179.912 177.584 -0.123 0.000 1.175 70 A CA 1.902 53.927 52.037 -0.019 0.000 0.628 70 A CB -1.161 17.892 19.000 0.087 0.000 0.814 70 A HN 0.550 nan 8.150 nan 0.000 0.444 71 G N -1.327 107.319 108.800 -0.257 0.000 2.432 71 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 71 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 71 G C 1.513 176.249 174.900 -0.272 0.000 1.135 71 G CA 1.559 46.479 45.100 -0.301 0.000 0.767 71 G HN 0.428 nan 8.290 nan 0.000 0.550 72 T N 1.030 115.396 114.554 -0.312 0.000 2.867 72 T HA 0.022 4.372 4.350 -0.000 0.000 0.268 72 T C 2.335 176.865 174.700 -0.283 0.000 1.057 72 T CA 0.692 62.573 62.100 -0.366 0.000 1.136 72 T CB -0.063 68.529 68.868 -0.460 0.000 0.874 72 T HN 0.265 nan 8.240 nan 0.000 0.466 73 I N 0.361 120.825 120.570 -0.177 0.000 2.333 73 I HA 0.083 4.253 4.170 -0.000 0.000 0.246 73 I C 1.753 177.837 176.117 -0.054 0.000 1.106 73 I CA 0.811 62.054 61.300 -0.094 0.000 1.411 73 I CB 0.064 38.044 38.000 -0.033 0.000 1.082 73 I HN 0.129 nan 8.210 nan 0.000 0.420 74 A N 0.459 123.253 122.820 -0.045 0.000 2.709 74 A HA 0.656 4.976 4.320 -0.000 0.000 0.241 74 A C 0.336 177.908 177.584 -0.021 0.000 0.879 74 A CA -0.317 51.714 52.037 -0.011 0.000 1.120 74 A CB -0.330 18.693 19.000 0.039 0.000 1.226 74 A HN 0.119 nan 8.150 nan 0.000 0.468 75 A N 0.618 123.394 122.820 -0.072 0.000 2.546 75 A HA 0.491 4.811 4.320 -0.000 0.000 0.243 75 A C 0.270 177.842 177.584 -0.020 0.000 1.063 75 A CA 0.292 52.285 52.037 -0.072 0.000 0.757 75 A CB -0.354 18.585 19.000 -0.103 0.000 0.991 75 A HN 0.581 nan 8.150 nan 0.000 0.503 76 I N 1.780 122.355 120.570 0.009 0.000 2.529 76 I HA 0.253 4.423 4.170 -0.000 0.000 0.284 76 I C 1.069 177.199 176.117 0.021 0.000 1.082 76 I CA 0.014 61.328 61.300 0.024 0.000 1.406 76 I CB 1.171 39.195 38.000 0.041 0.000 1.405 76 I HN 0.711 nan 8.210 nan 0.000 0.548 77 A N 5.506 128.335 122.820 0.016 0.000 2.395 77 A HA 0.316 4.635 4.320 -0.000 0.000 0.286 77 A C 0.178 177.771 177.584 0.016 0.000 1.193 77 A CA -0.316 51.728 52.037 0.013 0.000 0.852 77 A CB -0.532 18.475 19.000 0.012 0.000 1.118 77 A HN 0.858 nan 8.150 nan 0.000 0.524 78 N N 1.030 119.739 118.700 0.015 0.000 2.453 78 N HA 0.008 4.748 4.740 -0.000 0.000 0.267 78 N C -0.228 175.287 175.510 0.008 0.000 1.482 78 N CA -0.087 52.972 53.050 0.015 0.000 0.841 78 N CB -0.765 37.737 38.487 0.026 0.000 1.408 78 N HN 0.511 nan 8.380 nan 0.000 0.490 79 N N -0.081 118.619 118.700 0.001 0.000 2.714 79 N HA -0.280 4.460 4.740 -0.000 0.000 0.250 79 N C -1.103 174.395 175.510 -0.019 0.000 1.117 79 N CA 1.630 54.675 53.050 -0.009 0.000 0.719 79 N CB -0.557 37.926 38.487 -0.008 0.000 1.081 79 N HN 0.768 nan 8.380 nan 0.000 0.557 80 E N -2.098 118.092 120.200 -0.016 0.000 2.412 80 E HA 0.617 4.967 4.350 -0.000 0.000 0.279 80 E C 0.813 177.388 176.600 -0.041 0.000 0.984 80 E CA 0.131 56.514 56.400 -0.029 0.000 0.788 80 E CB 0.973 30.678 29.700 0.008 0.000 1.277 80 E HN 0.446 nan 8.360 nan 0.000 0.455 81 G N 0.760 109.468 108.800 -0.152 0.000 2.591 81 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.298 81 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.298 81 G C 0.127 174.826 174.900 -0.336 0.000 1.195 81 G CA 1.093 45.938 45.100 -0.426 0.000 0.989 81 G HN 1.413 nan 8.290 nan 0.000 0.551 82 V N -2.326 117.488 119.914 -0.167 0.000 3.139 82 V HA 0.962 5.082 4.120 -0.000 0.000 0.310 82 V C 0.522 176.587 176.094 -0.048 0.000 1.260 82 V CA 0.142 62.376 62.300 -0.109 0.000 1.064 82 V CB 1.162 32.907 31.823 -0.129 0.000 1.160 82 V HN 2.328 nan 8.190 nan 0.000 0.470 83 V N -2.376 117.505 119.914 -0.055 0.000 2.925 83 V HA 1.021 5.141 4.120 -0.000 0.000 0.311 83 V C 0.202 176.255 176.094 -0.068 0.000 1.104 83 V CA 0.294 62.570 62.300 -0.041 0.000 0.954 83 V CB 0.916 32.729 31.823 -0.017 0.000 1.022 83 V HN 1.498 nan 8.190 nan 0.000 0.427 84 G N 0.957 109.718 108.800 -0.066 0.000 2.642 84 G HA2 0.506 4.466 3.960 -0.000 0.000 0.291 84 G HA3 0.506 4.466 3.960 -0.000 0.000 0.291 84 G C 0.633 175.500 174.900 -0.055 0.000 1.345 84 G CA -0.119 44.924 45.100 -0.095 0.000 1.043 84 G HN 0.919 nan 8.290 nan 0.000 0.528 85 V N -0.061 119.815 119.914 -0.063 0.000 2.332 85 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 85 V C 1.363 177.467 176.094 0.017 0.000 1.055 85 V CA 1.600 63.893 62.300 -0.011 0.000 1.038 85 V CB -0.549 31.269 31.823 -0.008 0.000 0.651 85 V HN 0.443 nan 8.190 nan 0.000 0.450 86 M N 1.097 120.703 119.600 0.009 0.000 2.065 86 M HA 0.288 4.768 4.480 -0.000 0.000 0.308 86 M C -2.226 174.080 176.300 0.011 0.000 0.939 86 M CA -1.154 54.158 55.300 0.021 0.000 0.890 86 M CB 2.293 34.907 32.600 0.024 0.000 1.383 86 M HN -0.003 nan 8.290 nan 0.000 0.381 87 P HA 0.126 nan 4.420 nan 0.000 0.261 87 P C -0.269 177.039 177.300 0.014 0.000 1.268 87 P CA 0.568 63.673 63.100 0.009 0.000 0.833 87 P CB 0.021 31.725 31.700 0.005 0.000 1.231 88 N N 0.656 119.364 118.700 0.014 0.000 2.327 88 N HA 0.109 4.849 4.740 -0.000 0.000 0.231 88 N C -0.252 175.264 175.510 0.009 0.000 1.130 88 N CA -0.199 52.858 53.050 0.012 0.000 0.845 88 N CB -0.166 38.327 38.487 0.010 0.000 1.073 88 N HN -0.040 nan 8.380 nan 0.000 0.496 89 Q N -1.016 118.793 119.800 0.014 0.000 2.468 89 Q HA -0.270 4.070 4.340 -0.000 0.000 0.289 89 Q C -0.251 175.750 176.000 0.002 0.000 1.299 89 Q CA 0.537 56.349 55.803 0.015 0.000 0.838 89 Q CB -1.959 26.790 28.738 0.018 0.000 1.195 89 Q HN 0.629 nan 8.270 nan 0.000 0.456 90 N N -0.466 118.231 118.700 -0.006 0.000 2.606 90 N HA 0.251 4.991 4.740 -0.000 0.000 0.208 90 N C 0.412 175.905 175.510 -0.028 0.000 1.046 90 N CA 0.320 53.357 53.050 -0.022 0.000 0.891 90 N CB 0.340 38.809 38.487 -0.032 0.000 1.344 90 N HN 0.335 nan 8.380 nan 0.000 0.437 91 A N 1.172 123.980 122.820 -0.020 0.000 2.483 91 A HA 0.130 4.449 4.320 -0.000 0.000 0.238 91 A C -0.281 177.286 177.584 -0.027 0.000 1.070 91 A CA 0.131 52.154 52.037 -0.024 0.000 0.770 91 A CB 0.074 19.069 19.000 -0.007 0.000 1.008 91 A HN 0.261 nan 8.150 nan 0.000 0.497 92 N N 0.885 119.559 118.700 -0.042 0.000 2.438 92 N HA 0.497 5.237 4.740 -0.000 0.000 0.282 92 N C -0.936 174.546 175.510 -0.046 0.000 1.037 92 N CA 0.078 53.099 53.050 -0.048 0.000 0.942 92 N CB 1.372 39.822 38.487 -0.062 0.000 1.136 92 N HN 0.540 nan 8.380 nan 0.000 0.481 93 I N 1.352 121.883 120.570 -0.064 0.000 2.465 93 I HA 0.208 4.378 4.170 -0.000 0.000 0.291 93 I C -0.544 175.486 176.117 -0.145 0.000 1.014 93 I CA -0.704 60.544 61.300 -0.087 0.000 1.093 93 I CB 1.737 39.676 38.000 -0.102 0.000 1.267 93 I HN 0.415 nan 8.210 nan 0.000 0.431 94 H N 6.164 125.093 119.070 -0.234 0.000 2.529 94 H HA 0.588 5.144 4.556 -0.000 0.000 0.348 94 H C -1.160 173.969 175.328 -0.331 0.000 1.079 94 H CA -0.505 55.346 56.048 -0.328 0.000 1.198 94 H CB 1.305 30.924 29.762 -0.239 0.000 1.521 94 H HN 0.298 nan 8.280 nan 0.000 0.514 95 I N 5.942 125.958 120.570 -0.924 0.000 2.404 95 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 95 I C -0.580 175.253 176.117 -0.472 0.000 0.992 95 I CA -0.816 60.149 61.300 -0.559 0.000 1.149 95 I CB 1.419 39.152 38.000 -0.444 0.000 1.315 95 I HN 0.346 nan 8.210 nan 0.000 0.446 96 V N 6.412 126.226 119.914 -0.167 0.000 2.409 96 V HA 0.294 4.414 4.120 -0.000 0.000 0.290 96 V C 0.173 176.240 176.094 -0.044 0.000 1.017 96 V CA -0.933 61.319 62.300 -0.080 0.000 0.841 96 V CB 1.938 33.723 31.823 -0.063 0.000 1.003 96 V HN 0.651 nan 8.190 nan 0.000 0.426 97 K N 3.864 124.287 120.400 0.038 0.000 2.263 97 K HA 0.367 4.687 4.320 -0.000 0.000 0.282 97 K C 0.679 177.228 176.600 -0.085 0.000 1.089 97 K CA -0.256 56.056 56.287 0.040 0.000 0.907 97 K CB 1.277 33.851 32.500 0.123 0.000 1.148 97 K HN 0.634 nan 8.250 nan 0.000 0.470 98 V N 1.570 121.318 119.914 -0.277 0.000 3.565 98 V HA 0.332 4.452 4.120 -0.000 0.000 0.260 98 V C -0.000 175.612 176.094 -0.802 0.000 1.231 98 V CA -0.090 61.747 62.300 -0.772 0.000 1.100 98 V CB -0.442 30.564 31.823 -1.361 0.000 0.807 98 V HN 0.394 nan 8.190 nan 0.000 0.454 99 F N 1.700 121.475 119.950 -0.293 0.000 2.469 99 F HA 0.667 5.193 4.527 -0.000 0.000 0.332 99 F C 0.437 176.197 175.800 -0.068 0.000 1.103 99 F CA -0.719 57.193 58.000 -0.148 0.000 0.979 99 F CB 1.534 40.505 39.000 -0.047 0.000 1.137 99 F HN -0.042 nan 8.300 nan 0.000 0.463 100 N N 0.990 119.765 118.700 0.125 0.000 2.563 100 N HA 0.139 4.879 4.740 -0.000 0.000 0.288 100 N C 1.029 176.615 175.510 0.127 0.000 1.246 100 N CA -0.528 52.574 53.050 0.087 0.000 0.946 100 N CB 0.991 39.499 38.487 0.035 0.000 1.213 100 N HN 0.746 nan 8.380 nan 0.000 0.578 101 E N 0.572 120.822 120.200 0.085 0.000 2.097 101 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 101 E C 1.234 177.887 176.600 0.089 0.000 1.000 101 E CA 1.502 57.949 56.400 0.078 0.000 0.804 101 E CB -0.021 29.710 29.700 0.052 0.000 0.740 101 E HN 0.623 nan 8.360 nan 0.000 0.454 102 A N 0.213 123.084 122.820 0.085 0.000 2.119 102 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 102 A C 1.134 178.797 177.584 0.132 0.000 1.153 102 A CA 1.386 53.475 52.037 0.087 0.000 0.692 102 A CB -0.212 18.827 19.000 0.065 0.000 0.799 102 A HN 0.523 nan 8.150 nan 0.000 0.458 103 G N -2.579 106.338 108.800 0.194 0.000 2.278 103 G HA2 0.049 4.009 3.960 -0.000 0.000 0.265 103 G HA3 0.049 4.009 3.960 -0.000 0.000 0.265 103 G C -0.899 174.129 174.900 0.213 0.000 1.329 103 G CA -0.374 44.918 45.100 0.320 0.000 1.017 103 G HN 0.613 nan 8.290 nan 0.000 0.472 104 W N 2.372 123.559 121.300 -0.189 0.000 2.505 104 W HA 0.437 5.097 4.660 -0.000 0.000 0.332 104 W C 0.813 177.197 176.519 -0.225 0.000 1.434 104 W CA 1.166 58.148 57.345 -0.604 0.000 1.320 104 W CB 0.350 29.491 29.460 -0.532 0.000 1.363 104 W HN 1.070 nan 8.180 nan 0.000 0.565 105 G N 5.433 113.958 108.800 -0.458 0.000 3.274 105 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.250 105 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.250 105 G C -0.490 174.280 174.900 -0.217 0.000 1.024 105 G CA -0.355 44.629 45.100 -0.193 0.000 0.840 105 G HN 0.494 nan 8.290 nan 0.000 0.522 106 Y N 2.898 122.745 120.300 -0.756 0.000 2.712 106 Y HA 0.122 4.672 4.550 -0.000 0.000 0.333 106 Y C 2.026 177.886 175.900 -0.067 0.000 1.225 106 Y CA 0.100 57.921 58.100 -0.466 0.000 1.499 106 Y CB 1.317 39.337 38.460 -0.734 0.000 1.288 106 Y HN 0.125 nan 8.280 nan 0.000 0.575 107 S N 0.995 116.531 115.700 -0.274 0.000 2.481 107 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 107 S C 0.947 175.525 174.600 -0.036 0.000 0.996 107 S CA 0.751 58.870 58.200 -0.135 0.000 0.942 107 S CB -0.101 62.980 63.200 -0.199 0.000 0.768 107 S HN 0.497 nan 8.310 nan 0.000 0.520 108 S N 0.388 116.068 115.700 -0.033 0.000 2.855 108 S HA 0.703 5.173 4.470 -0.000 0.000 0.308 108 S C -0.010 174.910 174.600 0.533 0.000 1.077 108 S CA -0.180 58.132 58.200 0.186 0.000 0.896 108 S CB 1.268 64.517 63.200 0.082 0.000 1.339 108 S HN 0.661 nan 8.310 nan 0.000 0.602 109 S N 0.615 116.562 115.700 0.411 0.000 2.681 109 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 109 S C 1.102 175.977 174.600 0.458 0.000 1.209 109 S CA -0.423 57.995 58.200 0.363 0.000 0.988 109 S CB 0.514 63.817 63.200 0.171 0.000 1.006 109 S HN 0.646 nan 8.310 nan 0.000 0.558 110 L N 1.270 122.670 121.223 0.295 0.000 2.046 110 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 110 L C 2.301 179.303 176.870 0.220 0.000 1.077 110 L CA 1.579 56.597 54.840 0.297 0.000 0.747 110 L CB -0.921 41.252 42.059 0.191 0.000 0.896 110 L HN 0.670 nan 8.230 nan 0.000 0.432 111 V N 0.249 120.273 119.914 0.184 0.000 2.332 111 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 111 V C 2.823 179.035 176.094 0.197 0.000 1.055 111 V CA 1.718 64.119 62.300 0.169 0.000 1.038 111 V CB -1.359 30.538 31.823 0.123 0.000 0.651 111 V HN 0.633 nan 8.190 nan 0.000 0.450 112 A N -0.200 122.760 122.820 0.232 0.000 1.933 112 A HA -0.107 4.212 4.320 -0.000 0.000 0.218 112 A C 2.415 180.175 177.584 0.294 0.000 1.175 112 A CA 2.045 54.238 52.037 0.260 0.000 0.628 112 A CB -0.707 18.473 19.000 0.299 0.000 0.814 112 A HN 0.579 nan 8.150 nan 0.000 0.444 113 A N -0.056 122.935 122.820 0.285 0.000 1.898 113 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 113 A C 2.101 179.729 177.584 0.074 0.000 1.181 113 A CA 1.491 53.584 52.037 0.093 0.000 0.620 113 A CB -0.566 18.299 19.000 -0.225 0.000 0.819 113 A HN 0.499 nan 8.150 nan 0.000 0.442 114 I N -0.219 120.399 120.570 0.080 0.000 2.315 114 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 114 I C 1.791 177.882 176.117 -0.044 0.000 1.117 114 I CA 1.240 62.543 61.300 0.005 0.000 1.404 114 I CB -0.455 37.556 38.000 0.018 0.000 1.071 114 I HN 0.232 nan 8.210 nan 0.000 0.419 115 D N 0.621 121.077 120.400 0.093 0.000 2.123 115 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 115 D C 2.212 178.554 176.300 0.071 0.000 0.992 115 D CA 1.648 55.732 54.000 0.140 0.000 0.833 115 D CB -0.337 40.577 40.800 0.190 0.000 0.954 115 D HN 0.259 nan 8.370 nan 0.000 0.455 116 T N 0.238 114.847 114.554 0.092 0.000 2.746 116 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 116 T C 2.264 176.976 174.700 0.019 0.000 1.039 116 T CA 0.878 63.028 62.100 0.082 0.000 1.142 116 T CB -0.537 68.426 68.868 0.159 0.000 0.866 116 T HN 0.228 nan 8.240 nan 0.000 0.444 117 c N 0.905 119.515 118.600 0.016 0.000 2.398 117 c HA -0.055 4.514 4.570 -0.000 0.000 0.276 117 c C 2.855 176.875 174.090 -0.116 0.000 1.222 117 c CA 0.498 56.813 56.329 -0.022 0.000 1.746 117 c CB -1.128 41.371 42.510 -0.019 0.000 2.039 117 c HN 0.375 nan 8.230 nan 0.000 0.470 118 V N 1.379 121.226 119.914 -0.112 0.000 2.302 118 V HA -0.136 3.984 4.120 -0.000 0.000 0.243 118 V C 2.180 178.231 176.094 -0.071 0.000 1.036 118 V CA 1.966 64.206 62.300 -0.100 0.000 1.020 118 V CB -0.698 31.059 31.823 -0.111 0.000 0.657 118 V HN 0.507 nan 8.190 nan 0.000 0.453 119 N N 0.366 119.047 118.700 -0.032 0.000 2.106 119 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 119 N C 2.016 177.481 175.510 -0.074 0.000 1.029 119 N CA 1.856 54.891 53.050 -0.024 0.000 0.848 119 N CB -0.240 38.258 38.487 0.019 0.000 1.007 119 N HN 0.380 nan 8.380 nan 0.000 0.423 120 S N -0.646 114.988 115.700 -0.110 0.000 2.456 120 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 120 S C 1.850 176.194 174.600 -0.426 0.000 1.035 120 S CA 0.589 58.689 58.200 -0.166 0.000 0.940 120 S CB 0.233 63.396 63.200 -0.061 0.000 0.799 120 S HN 0.482 nan 8.310 nan 0.000 0.508 121 G N 0.299 108.717 108.800 -0.636 0.000 2.744 121 G HA2 0.388 4.348 3.960 -0.000 0.000 0.211 121 G HA3 0.388 4.348 3.960 -0.000 0.000 0.211 121 G C 0.964 175.609 174.900 -0.424 0.000 1.146 121 G CA 0.284 44.780 45.100 -1.007 0.000 0.787 121 G HN 0.758 nan 8.290 nan 0.000 0.534 122 G N -0.192 108.453 108.800 -0.259 0.000 2.221 122 G HA2 0.104 4.064 3.960 -0.000 0.000 0.265 122 G HA3 0.104 4.064 3.960 -0.000 0.000 0.265 122 G C 0.515 175.331 174.900 -0.140 0.000 1.041 122 G CA 0.352 45.355 45.100 -0.162 0.000 0.807 122 G HN 1.352 nan 8.290 nan 0.000 0.502 123 A N -0.821 121.920 122.820 -0.132 0.000 2.511 123 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 123 A C 1.073 178.623 177.584 -0.055 0.000 1.069 123 A CA 1.053 53.040 52.037 -0.084 0.000 0.763 123 A CB 0.139 19.106 19.000 -0.055 0.000 1.001 123 A HN 0.589 nan 8.150 nan 0.000 0.498 124 N N 0.189 118.852 118.700 -0.061 0.000 2.432 124 N HA 0.181 4.921 4.740 -0.000 0.000 0.174 124 N C -0.568 175.059 175.510 0.196 0.000 1.037 124 N CA 0.355 53.367 53.050 -0.062 0.000 0.892 124 N CB 0.542 38.779 38.487 -0.417 0.000 1.049 124 N HN 0.409 nan 8.380 nan 0.000 0.442 125 V N 1.398 121.406 119.914 0.157 0.000 2.588 125 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 125 V C -0.735 175.430 176.094 0.119 0.000 1.042 125 V CA -0.834 61.596 62.300 0.217 0.000 0.877 125 V CB 2.358 34.326 31.823 0.242 0.000 0.996 125 V HN -0.239 nan 8.190 nan 0.000 0.425 126 V N 3.132 123.114 119.914 0.113 0.000 2.444 126 V HA 0.506 4.626 4.120 -0.000 0.000 0.294 126 V C 0.062 176.211 176.094 0.092 0.000 1.022 126 V CA -0.292 62.054 62.300 0.077 0.000 0.850 126 V CB 1.916 33.768 31.823 0.049 0.000 0.992 126 V HN 0.923 nan 8.190 nan 0.000 0.426 127 T N 6.841 121.446 114.554 0.086 0.000 2.779 127 T HA 0.703 5.053 4.350 -0.000 0.000 0.280 127 T C -0.520 174.241 174.700 0.102 0.000 0.987 127 T CA -0.402 61.754 62.100 0.093 0.000 0.966 127 T CB 0.480 69.398 68.868 0.084 0.000 0.933 127 T HN 0.577 nan 8.240 nan 0.000 0.442 128 M N 4.152 123.822 119.600 0.116 0.000 1.999 128 M HA 0.300 4.780 4.480 -0.000 0.000 0.299 128 M C 0.169 176.556 176.300 0.145 0.000 0.900 128 M CA -0.455 54.929 55.300 0.139 0.000 0.904 128 M CB 1.738 34.428 32.600 0.151 0.000 1.477 128 M HN 0.371 nan 8.290 nan 0.000 0.403 129 S N 4.608 120.404 115.700 0.160 0.000 3.983 129 S HA 0.482 4.952 4.470 -0.000 0.000 0.194 129 S C -0.493 174.191 174.600 0.140 0.000 1.464 129 S CA -0.474 57.834 58.200 0.179 0.000 1.021 129 S CB -0.894 62.457 63.200 0.252 0.000 1.424 129 S HN 0.548 nan 8.310 nan 0.000 0.473 130 L N -2.397 118.900 121.223 0.124 0.000 2.999 130 L HA 1.060 5.400 4.340 -0.000 0.000 0.274 130 L C -0.340 176.615 176.870 0.142 0.000 1.044 130 L CA -0.813 54.092 54.840 0.108 0.000 0.943 130 L CB 0.631 42.819 42.059 0.216 0.000 1.522 130 L HN 0.184 nan 8.230 nan 0.000 0.400 131 G N -2.159 106.733 108.800 0.153 0.000 2.320 131 G HA2 0.704 4.664 3.960 -0.000 0.000 0.296 131 G HA3 0.704 4.664 3.960 -0.000 0.000 0.296 131 G C -1.345 173.620 174.900 0.109 0.000 1.306 131 G CA 0.081 45.257 45.100 0.127 0.000 0.836 131 G HN 1.414 nan 8.290 nan 0.000 0.517 132 G N -1.659 107.199 108.800 0.097 0.000 2.708 132 G HA2 0.656 4.616 3.960 -0.000 0.000 0.289 132 G HA3 0.656 4.616 3.960 -0.000 0.000 0.289 132 G C 0.844 175.819 174.900 0.125 0.000 1.416 132 G CA 1.010 46.159 45.100 0.080 0.000 0.829 132 G HN 1.650 nan 8.290 nan 0.000 0.480 133 S N -1.084 114.678 115.700 0.104 0.000 2.470 133 S HA 0.257 4.727 4.470 -0.000 0.000 0.225 133 S C 1.321 176.031 174.600 0.185 0.000 1.006 133 S CA 0.618 58.907 58.200 0.149 0.000 0.934 133 S CB 0.030 63.279 63.200 0.082 0.000 0.778 133 S HN 1.086 nan 8.310 nan 0.000 0.517 134 G N 1.387 110.232 108.800 0.076 0.000 2.476 134 G HA2 0.505 4.465 3.960 -0.000 0.000 0.269 134 G HA3 0.505 4.465 3.960 -0.000 0.000 0.269 134 G C -0.490 174.269 174.900 -0.235 0.000 1.195 134 G CA -0.183 44.891 45.100 -0.043 0.000 0.843 134 G HN 0.599 nan 8.290 nan 0.000 0.545 135 S N -0.873 114.592 115.700 -0.392 0.000 2.549 135 S HA 0.841 5.311 4.470 -0.000 0.000 0.280 135 S C -0.421 174.066 174.600 -0.188 0.000 1.109 135 S CA -0.408 57.454 58.200 -0.563 0.000 0.905 135 S CB 2.091 64.519 63.200 -1.287 0.000 1.081 135 S HN 1.333 nan 8.310 nan 0.000 0.477 136 T N -2.020 112.517 114.554 -0.028 0.000 2.883 136 T HA 0.539 4.889 4.350 -0.000 0.000 0.301 136 T C 0.656 175.336 174.700 -0.034 0.000 1.158 136 T CA -0.541 61.540 62.100 -0.032 0.000 1.007 136 T CB 1.183 70.034 68.868 -0.029 0.000 1.186 136 T HN 0.431 nan 8.240 nan 0.000 0.499 137 T N 1.230 115.757 114.554 -0.044 0.000 2.857 137 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 137 T C 2.031 176.683 174.700 -0.079 0.000 1.048 137 T CA 1.880 63.946 62.100 -0.057 0.000 1.139 137 T CB -0.622 68.223 68.868 -0.039 0.000 0.874 137 T HN 0.812 nan 8.240 nan 0.000 0.455 138 T N 2.081 116.599 114.554 -0.061 0.000 2.720 138 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 138 T C 1.936 176.583 174.700 -0.088 0.000 1.037 138 T CA 1.121 63.187 62.100 -0.057 0.000 1.144 138 T CB -0.187 68.662 68.868 -0.031 0.000 0.864 138 T HN 0.506 nan 8.240 nan 0.000 0.444 139 E N 0.627 120.760 120.200 -0.112 0.000 2.028 139 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 139 E C 2.505 178.850 176.600 -0.424 0.000 0.988 139 E CA 0.667 56.956 56.400 -0.184 0.000 0.799 139 E CB -0.156 29.481 29.700 -0.105 0.000 0.755 139 E HN 0.317 nan 8.360 nan 0.000 0.447 140 R N 1.098 121.250 120.500 -0.580 0.000 2.096 140 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 140 R C 1.876 177.999 176.300 -0.294 0.000 1.139 140 R CA 2.029 57.745 56.100 -0.640 0.000 0.952 140 R CB -0.209 29.899 30.300 -0.321 0.000 0.854 140 R HN 0.201 nan 8.270 nan 0.000 0.436 141 N N -0.460 118.134 118.700 -0.178 0.000 2.084 141 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 141 N C 1.834 177.287 175.510 -0.094 0.000 1.030 141 N CA 1.054 54.042 53.050 -0.103 0.000 0.849 141 N CB -0.165 38.277 38.487 -0.075 0.000 1.012 141 N HN 0.285 nan 8.380 nan 0.000 0.423 142 A N 1.007 123.767 122.820 -0.100 0.000 1.877 142 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 142 A C 2.035 179.603 177.584 -0.027 0.000 1.186 142 A CA 1.262 53.251 52.037 -0.080 0.000 0.620 142 A CB -0.581 18.402 19.000 -0.028 0.000 0.822 142 A HN 0.104 nan 8.150 nan 0.000 0.443 143 L N 0.500 121.715 121.223 -0.014 0.000 2.109 143 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 143 L C 2.312 179.245 176.870 0.106 0.000 1.086 143 L CA 1.767 56.655 54.840 0.080 0.000 0.760 143 L CB -0.932 41.123 42.059 -0.006 0.000 0.910 143 L HN 0.602 nan 8.230 nan 0.000 0.437 144 N N -0.898 117.821 118.700 0.031 0.000 2.166 144 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 144 N C 1.555 177.143 175.510 0.130 0.000 1.019 144 N CA 1.795 54.908 53.050 0.106 0.000 0.856 144 N CB 0.224 38.739 38.487 0.047 0.000 0.993 144 N HN 0.316 nan 8.380 nan 0.000 0.426 145 T N 0.333 114.907 114.554 0.034 0.000 2.737 145 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 145 T C 1.586 176.301 174.700 0.025 0.000 1.038 145 T CA 0.895 62.986 62.100 -0.016 0.000 1.144 145 T CB -0.411 68.389 68.868 -0.113 0.000 0.866 145 T HN 0.344 nan 8.240 nan 0.000 0.434 146 H N -0.364 118.756 119.070 0.084 0.000 2.352 146 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 146 H C 2.114 177.531 175.328 0.149 0.000 1.097 146 H CA 1.537 57.645 56.048 0.100 0.000 1.311 146 H CB -0.577 29.247 29.762 0.103 0.000 1.377 146 H HN 0.411 nan 8.280 nan 0.000 0.504 147 Y N 2.222 122.624 120.300 0.171 0.000 2.145 147 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 147 Y C 2.024 177.979 175.900 0.091 0.000 1.145 147 Y CA 1.350 59.520 58.100 0.117 0.000 1.148 147 Y CB -0.352 38.160 38.460 0.086 0.000 0.981 147 Y HN 0.073 nan 8.280 nan 0.000 0.507 148 N N 0.493 119.173 118.700 -0.033 0.000 2.381 148 N HA -0.141 4.599 4.740 -0.000 0.000 0.182 148 N C 0.863 176.330 175.510 -0.073 0.000 1.025 148 N CA 0.998 53.961 53.050 -0.145 0.000 0.888 148 N CB -0.422 38.041 38.487 -0.040 0.000 0.965 148 N HN 0.412 nan 8.380 nan 0.000 0.438 149 N N 0.053 118.760 118.700 0.012 0.000 2.461 149 N HA 0.051 4.791 4.740 -0.000 0.000 0.188 149 N C 0.962 176.511 175.510 0.065 0.000 1.134 149 N CA 0.616 53.691 53.050 0.043 0.000 0.878 149 N CB 0.247 38.783 38.487 0.082 0.000 0.972 149 N HN 0.346 nan 8.380 nan 0.000 0.456 150 G N -1.146 107.682 108.800 0.047 0.000 2.148 150 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.203 150 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.203 150 G C -0.380 174.670 174.900 0.250 0.000 0.993 150 G CA -0.124 45.048 45.100 0.121 0.000 0.661 150 G HN 0.141 nan 8.290 nan 0.000 0.518 151 V N 1.465 121.519 119.914 0.233 0.000 2.370 151 V HA 0.648 4.768 4.120 -0.000 0.000 0.279 151 V C 0.469 176.765 176.094 0.336 0.000 1.029 151 V CA -0.883 61.584 62.300 0.278 0.000 0.870 151 V CB 1.610 33.541 31.823 0.180 0.000 0.984 151 V HN 0.382 nan 8.190 nan 0.000 0.451 152 L N 7.143 128.581 121.223 0.358 0.000 2.313 152 L HA 0.460 4.800 4.340 -0.000 0.000 0.282 152 L C -0.446 176.551 176.870 0.212 0.000 1.092 152 L CA 0.468 55.476 54.840 0.280 0.000 0.831 152 L CB 0.421 42.594 42.059 0.190 0.000 1.159 152 L HN 0.510 nan 8.230 nan 0.000 0.442 153 L N 6.970 128.289 121.223 0.161 0.000 2.296 153 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 153 L C -0.560 176.354 176.870 0.072 0.000 1.023 153 L CA -0.386 54.518 54.840 0.108 0.000 0.812 153 L CB 1.378 43.494 42.059 0.095 0.000 1.223 153 L HN 0.535 nan 8.230 nan 0.000 0.421 154 I N 2.624 123.247 120.570 0.087 0.000 2.533 154 I HA 0.784 4.954 4.170 -0.000 0.000 0.290 154 I C -0.414 175.757 176.117 0.091 0.000 1.056 154 I CA -0.413 60.935 61.300 0.080 0.000 1.057 154 I CB 2.195 40.246 38.000 0.086 0.000 1.240 154 I HN 0.705 nan 8.210 nan 0.000 0.423 155 A N 3.888 126.759 122.820 0.085 0.000 2.587 155 A HA 0.912 5.232 4.320 -0.000 0.000 0.293 155 A C -0.888 176.747 177.584 0.085 0.000 1.087 155 A CA -0.679 51.414 52.037 0.094 0.000 0.692 155 A CB 1.578 20.637 19.000 0.099 0.000 1.291 155 A HN 0.800 nan 8.150 nan 0.000 0.407 156 A N 0.190 123.067 122.820 0.095 0.000 2.440 156 A HA 0.553 4.873 4.320 -0.000 0.000 0.251 156 A C 1.232 178.857 177.584 0.069 0.000 1.089 156 A CA 0.345 52.440 52.037 0.098 0.000 0.779 156 A CB 0.102 19.172 19.000 0.116 0.000 1.022 156 A HN 2.170 nan 8.150 nan 0.000 0.492 157 A N 1.997 124.861 122.820 0.073 0.000 2.119 157 A HA 0.468 4.788 4.320 -0.000 0.000 0.217 157 A C 1.397 179.003 177.584 0.036 0.000 1.153 157 A CA 1.366 53.427 52.037 0.040 0.000 0.692 157 A CB -0.872 18.162 19.000 0.055 0.000 0.799 157 A HN 2.814 nan 8.150 nan 0.000 0.458 158 G N -1.378 107.470 108.800 0.079 0.000 2.617 158 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 158 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 158 G C -0.447 174.541 174.900 0.146 0.000 1.214 158 G CA -0.239 44.907 45.100 0.076 0.000 0.796 158 G HN 0.381 nan 8.290 nan 0.000 0.654 159 N N 0.314 119.095 118.700 0.136 0.000 2.275 159 N HA 0.422 5.162 4.740 -0.000 0.000 0.236 159 N C 1.644 177.264 175.510 0.182 0.000 1.154 159 N CA 0.322 53.509 53.050 0.228 0.000 0.866 159 N CB 1.039 39.544 38.487 0.029 0.000 1.093 159 N HN 0.857 nan 8.380 nan 0.000 0.515 160 A N 0.676 123.564 122.820 0.114 0.000 2.206 160 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 160 A C 1.831 179.476 177.584 0.101 0.000 1.158 160 A CA 0.622 52.707 52.037 0.079 0.000 0.761 160 A CB -0.567 18.446 19.000 0.022 0.000 0.801 160 A HN 0.337 nan 8.150 nan 0.000 0.473 161 G N 0.210 109.104 108.800 0.155 0.000 2.225 161 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.267 161 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.267 161 G C -0.199 174.813 174.900 0.188 0.000 1.024 161 G CA 0.972 46.189 45.100 0.195 0.000 0.784 161 G HN 0.983 nan 8.290 nan 0.000 0.507 162 D N -2.503 117.888 120.400 -0.017 0.000 2.837 162 D HA 0.625 5.265 4.640 -0.000 0.000 0.294 162 D C 1.036 176.815 176.300 -0.869 0.000 1.158 162 D CA 0.157 53.998 54.000 -0.266 0.000 1.073 162 D CB 0.029 40.742 40.800 -0.145 0.000 1.419 162 D HN 0.446 nan 8.370 nan 0.000 0.584 163 S N -1.386 113.794 115.700 -0.867 0.000 2.597 163 S HA 0.200 4.670 4.470 -0.000 0.000 0.224 163 S C 0.408 174.633 174.600 -0.625 0.000 0.955 163 S CA -0.130 57.537 58.200 -0.890 0.000 0.933 163 S CB -1.180 61.636 63.200 -0.640 0.000 0.788 163 S HN 0.650 nan 8.310 nan 0.000 0.488 164 S N 1.069 116.504 115.700 -0.442 0.000 2.572 164 S HA 0.367 4.837 4.470 -0.000 0.000 0.279 164 S C -0.646 173.737 174.600 -0.362 0.000 1.341 164 S CA -0.480 57.516 58.200 -0.340 0.000 1.043 164 S CB -0.274 62.830 63.200 -0.161 0.000 0.887 164 S HN 0.344 nan 8.310 nan 0.000 0.516 165 Y N 1.226 121.424 120.300 -0.170 0.000 2.327 165 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 165 Y C 0.834 176.488 175.900 -0.410 0.000 1.035 165 Y CA -0.406 57.495 58.100 -0.331 0.000 1.165 165 Y CB 1.094 39.333 38.460 -0.367 0.000 1.181 165 Y HN 0.683 nan 8.280 nan 0.000 0.494 166 S N 3.202 118.721 115.700 -0.302 0.000 2.509 166 S HA 0.583 5.053 4.470 -0.000 0.000 0.297 166 S C -1.286 173.001 174.600 -0.521 0.000 1.118 166 S CA -0.701 57.354 58.200 -0.242 0.000 1.074 166 S CB 0.547 63.692 63.200 -0.092 0.000 1.038 166 S HN 0.426 nan 8.310 nan 0.000 0.498 167 Y N 2.249 122.486 120.300 -0.105 0.000 2.509 167 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 167 Y C -1.479 174.400 175.900 -0.035 0.000 1.038 167 Y CA -2.140 55.830 58.100 -0.216 0.000 1.089 167 Y CB 1.057 39.274 38.460 -0.406 0.000 1.241 167 Y HN 0.446 nan 8.280 nan 0.000 0.468 168 P HA -0.117 nan 4.420 nan 0.000 0.230 168 P C 0.941 178.297 177.300 0.092 0.000 1.158 168 P CA 1.378 64.632 63.100 0.257 0.000 0.769 168 P CB 0.098 32.016 31.700 0.363 0.000 0.807 169 A N 0.989 123.798 122.820 -0.017 0.000 1.927 169 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 169 A C 2.268 179.776 177.584 -0.127 0.000 1.185 169 A CA 2.134 54.143 52.037 -0.046 0.000 0.639 169 A CB -1.541 17.429 19.000 -0.049 0.000 0.820 169 A HN 0.259 nan 8.150 nan 0.000 0.451 170 S N -1.416 114.055 115.700 -0.382 0.000 2.650 170 S HA 0.186 4.656 4.470 -0.000 0.000 0.219 170 S C -0.065 174.400 174.600 -0.226 0.000 0.960 170 S CA -0.229 57.707 58.200 -0.440 0.000 0.925 170 S CB -0.411 62.261 63.200 -0.880 0.000 0.775 170 S HN 0.557 nan 8.310 nan 0.000 0.525 171 Y N 1.549 121.882 120.300 0.055 0.000 2.301 171 Y HA 0.126 4.676 4.550 -0.000 0.000 0.325 171 Y C 1.307 177.199 175.900 -0.013 0.000 1.203 171 Y CA -1.002 57.146 58.100 0.080 0.000 1.255 171 Y CB 0.547 39.068 38.460 0.102 0.000 1.232 171 Y HN 0.019 nan 8.280 nan 0.000 0.501 172 D N 0.001 120.496 120.400 0.158 0.000 2.218 172 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 172 D C 1.869 178.126 176.300 -0.071 0.000 0.976 172 D CA 1.667 55.691 54.000 0.040 0.000 0.853 172 D CB -0.162 40.667 40.800 0.048 0.000 0.939 172 D HN 0.522 nan 8.370 nan 0.000 0.481 173 S N -0.692 114.962 115.700 -0.076 0.000 2.603 173 S HA 0.097 4.567 4.470 -0.000 0.000 0.220 173 S C 0.683 175.058 174.600 -0.375 0.000 0.967 173 S CA -0.312 57.689 58.200 -0.331 0.000 0.920 173 S CB 0.221 63.368 63.200 -0.088 0.000 0.773 173 S HN -0.086 nan 8.310 nan 0.000 0.529 174 V N 2.253 122.090 119.914 -0.130 0.000 2.680 174 V HA 0.432 4.552 4.120 -0.000 0.000 0.309 174 V C -0.186 175.881 176.094 -0.046 0.000 1.052 174 V CA -0.915 61.353 62.300 -0.053 0.000 0.908 174 V CB 1.779 33.653 31.823 0.085 0.000 1.001 174 V HN 0.402 nan 8.190 nan 0.000 0.431 175 M N 3.023 122.607 119.600 -0.026 0.000 2.146 175 M HA 0.244 4.724 4.480 -0.000 0.000 0.352 175 M C 0.361 176.679 176.300 0.030 0.000 1.343 175 M CA 0.393 55.696 55.300 0.006 0.000 1.115 175 M CB 1.071 33.685 32.600 0.023 0.000 1.657 175 M HN 0.681 nan 8.290 nan 0.000 0.471 176 S N 3.652 119.369 115.700 0.027 0.000 2.465 176 S HA 0.421 4.891 4.470 -0.000 0.000 0.279 176 S C -0.495 174.136 174.600 0.050 0.000 1.201 176 S CA -0.757 57.460 58.200 0.028 0.000 1.053 176 S CB 0.329 63.533 63.200 0.007 0.000 0.953 176 S HN 0.490 nan 8.310 nan 0.000 0.488 177 V N 5.036 124.990 119.914 0.067 0.000 2.394 177 V HA 0.707 4.827 4.120 -0.000 0.000 0.282 177 V C 0.629 176.783 176.094 0.100 0.000 1.031 177 V CA -0.673 61.679 62.300 0.086 0.000 0.881 177 V CB 0.932 32.815 31.823 0.099 0.000 0.982 177 V HN 1.016 nan 8.190 nan 0.000 0.451 178 A N 4.004 126.885 122.820 0.102 0.000 2.269 178 A HA 0.941 5.261 4.320 -0.000 0.000 0.319 178 A C 0.129 177.780 177.584 0.112 0.000 1.110 178 A CA -0.266 51.842 52.037 0.118 0.000 0.847 178 A CB 1.203 20.283 19.000 0.133 0.000 1.161 178 A HN 1.249 nan 8.150 nan 0.000 0.497 179 A N 0.130 122.995 122.820 0.074 0.000 2.324 179 A HA 0.714 5.034 4.320 -0.000 0.000 0.330 179 A C -0.122 177.440 177.584 -0.037 0.000 1.165 179 A CA -0.031 52.034 52.037 0.047 0.000 0.813 179 A CB 0.736 19.801 19.000 0.107 0.000 1.197 179 A HN 2.179 nan 8.150 nan 0.000 0.484 180 V N -0.189 119.756 119.914 0.050 0.000 3.102 180 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 180 V C -0.680 175.500 176.094 0.144 0.000 1.135 180 V CA -0.766 61.567 62.300 0.054 0.000 1.022 180 V CB 1.853 33.744 31.823 0.113 0.000 1.056 180 V HN 0.968 nan 8.190 nan 0.000 0.436 181 D N 0.714 121.140 120.400 0.044 0.000 2.539 181 D HA 0.336 4.976 4.640 -0.000 0.000 0.276 181 D C 1.279 177.299 176.300 -0.467 0.000 1.206 181 D CA 0.102 54.068 54.000 -0.056 0.000 1.081 181 D CB 0.886 41.611 40.800 -0.125 0.000 1.142 181 D HN 0.860 nan 8.370 nan 0.000 0.595 182 S N -1.421 113.551 115.700 -1.213 0.000 2.595 182 S HA -0.165 4.305 4.470 -0.000 0.000 0.235 182 S C 0.983 175.279 174.600 -0.506 0.000 0.974 182 S CA 0.738 57.888 58.200 -1.750 0.000 0.942 182 S CB -0.723 61.248 63.200 -2.048 0.000 0.766 182 S HN 0.541 nan 8.310 nan 0.000 0.536 183 N N 0.738 119.290 118.700 -0.246 0.000 2.203 183 N HA 0.311 5.051 4.740 -0.000 0.000 0.207 183 N C 0.336 175.870 175.510 0.039 0.000 1.130 183 N CA -0.074 52.954 53.050 -0.036 0.000 0.861 183 N CB -0.363 38.086 38.487 -0.063 0.000 1.005 183 N HN 0.407 nan 8.380 nan 0.000 0.507 184 L N -0.717 120.544 121.223 0.063 0.000 4.291 184 L HA -0.228 4.112 4.340 -0.000 0.000 0.413 184 L C -1.017 175.889 176.870 0.060 0.000 1.162 184 L CA 0.454 55.363 54.840 0.115 0.000 0.961 184 L CB -1.506 40.638 42.059 0.143 0.000 2.095 184 L HN 0.270 nan 8.230 nan 0.000 0.838 185 D N 0.024 120.433 120.400 0.014 0.000 2.256 185 D HA 0.119 4.758 4.640 -0.000 0.000 0.250 185 D C 0.507 176.814 176.300 0.012 0.000 1.093 185 D CA -0.166 53.839 54.000 0.008 0.000 0.882 185 D CB 0.830 41.614 40.800 -0.027 0.000 1.185 185 D HN 0.163 nan 8.370 nan 0.000 0.437 186 H N 0.984 120.012 119.070 -0.069 0.000 3.034 186 H HA 0.140 4.696 4.556 -0.000 0.000 0.324 186 H C -0.676 174.552 175.328 -0.166 0.000 1.015 186 H CA -0.434 55.552 56.048 -0.102 0.000 1.429 186 H CB 0.671 30.371 29.762 -0.103 0.000 1.429 186 H HN 0.341 nan 8.280 nan 0.000 0.585 187 A N 4.335 126.699 122.820 -0.759 0.000 2.454 187 A HA 0.349 4.669 4.320 -0.000 0.000 0.260 187 A C 1.427 178.373 177.584 -1.062 0.000 1.106 187 A CA 0.183 51.688 52.037 -0.886 0.000 0.780 187 A CB -0.046 18.212 19.000 -1.237 0.000 1.044 187 A HN 0.960 nan 8.150 nan 0.000 0.498 188 A N 2.722 125.208 122.820 -0.556 0.000 1.986 188 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 188 A C 1.565 179.052 177.584 -0.161 0.000 1.171 188 A CA 2.020 53.895 52.037 -0.270 0.000 0.640 188 A CB -0.873 18.081 19.000 -0.077 0.000 0.811 188 A HN 1.477 nan 8.150 nan 0.000 0.451 189 F N -1.334 118.591 119.950 -0.042 0.000 2.615 189 F HA 0.315 4.842 4.527 -0.000 0.000 0.297 189 F C 1.067 176.889 175.800 0.036 0.000 1.124 189 F CA 0.257 58.275 58.000 0.029 0.000 1.451 189 F CB -0.641 38.392 39.000 0.056 0.000 1.103 189 F HN 0.024 nan 8.300 nan 0.000 0.569 190 S N 1.859 117.375 115.700 -0.306 0.000 2.481 190 S HA 0.043 4.513 4.470 -0.000 0.000 0.282 190 S C 0.113 174.846 174.600 0.223 0.000 1.243 190 S CA -0.432 57.758 58.200 -0.016 0.000 1.078 190 S CB -0.084 62.972 63.200 -0.241 0.000 0.916 190 S HN 0.459 nan 8.310 nan 0.000 0.495 191 Q N 3.125 123.031 119.800 0.177 0.000 2.315 191 Q HA 0.112 4.452 4.340 -0.000 0.000 0.289 191 Q C -0.896 175.166 176.000 0.103 0.000 1.044 191 Q CA 0.402 56.244 55.803 0.066 0.000 0.920 191 Q CB 0.306 29.015 28.738 -0.048 0.000 1.214 191 Q HN 0.745 nan 8.270 nan 0.000 0.392 192 Y N -0.487 119.807 120.300 -0.010 0.000 2.334 192 Y HA 0.665 5.215 4.550 -0.000 0.000 0.336 192 Y C -0.178 175.651 175.900 -0.119 0.000 0.960 192 Y CA -1.037 57.024 58.100 -0.065 0.000 1.164 192 Y CB 0.934 39.328 38.460 -0.109 0.000 1.155 192 Y HN 0.516 nan 8.280 nan 0.000 0.478 193 T N -1.437 113.076 114.554 -0.069 0.000 2.812 193 T HA 0.278 4.628 4.350 -0.000 0.000 0.294 193 T C -0.151 174.547 174.700 -0.003 0.000 1.159 193 T CA -0.642 61.380 62.100 -0.131 0.000 1.008 193 T CB 1.451 70.209 68.868 -0.183 0.000 1.289 193 T HN 0.566 nan 8.240 nan 0.000 0.514 194 D N -0.369 120.067 120.400 0.060 0.000 2.352 194 D HA 0.032 4.672 4.640 -0.000 0.000 0.232 194 D C 1.318 177.660 176.300 0.070 0.000 1.055 194 D CA 0.319 54.357 54.000 0.064 0.000 0.891 194 D CB 0.041 40.892 40.800 0.085 0.000 0.897 194 D HN 0.412 nan 8.370 nan 0.000 0.529 195 Q N 0.084 119.947 119.800 0.105 0.000 2.396 195 Q HA 0.134 4.474 4.340 -0.000 0.000 0.220 195 Q C 0.398 176.409 176.000 0.017 0.000 0.900 195 Q CA 0.028 55.865 55.803 0.056 0.000 0.925 195 Q CB 0.831 29.604 28.738 0.058 0.000 1.065 195 Q HN 0.206 nan 8.270 nan 0.000 0.535 196 V N 2.670 122.590 119.914 0.011 0.000 2.584 196 V HA -0.148 3.972 4.120 -0.000 0.000 0.303 196 V C 1.417 177.492 176.094 -0.031 0.000 1.035 196 V CA 1.088 63.389 62.300 0.001 0.000 1.172 196 V CB 0.530 32.357 31.823 0.007 0.000 0.896 196 V HN 0.359 nan 8.190 nan 0.000 0.486 197 E N 4.400 124.604 120.200 0.007 0.000 2.364 197 E HA 0.367 4.717 4.350 -0.000 0.000 0.203 197 E C 0.300 176.963 176.600 0.104 0.000 0.888 197 E CA -0.072 56.351 56.400 0.039 0.000 0.989 197 E CB 0.821 30.577 29.700 0.092 0.000 0.985 197 E HN 0.675 nan 8.360 nan 0.000 0.499 198 I N -0.144 120.479 120.570 0.089 0.000 2.984 198 I HA 0.279 4.449 4.170 -0.000 0.000 0.303 198 I C -1.548 174.624 176.117 0.091 0.000 1.381 198 I CA -0.643 60.722 61.300 0.108 0.000 0.988 198 I CB 2.332 40.401 38.000 0.115 0.000 1.307 198 I HN -0.111 nan 8.210 nan 0.000 0.460 199 S N 1.890 117.647 115.700 0.095 0.000 2.607 199 S HA 0.949 5.419 4.470 -0.000 0.000 0.303 199 S C -0.428 174.227 174.600 0.093 0.000 1.086 199 S CA -0.470 57.788 58.200 0.097 0.000 0.995 199 S CB 1.876 65.137 63.200 0.101 0.000 1.084 199 S HN 0.909 nan 8.310 nan 0.000 0.507 200 G N 0.744 109.593 108.800 0.082 0.000 2.695 200 G HA2 0.632 4.592 3.960 -0.000 0.000 0.290 200 G HA3 0.632 4.592 3.960 -0.000 0.000 0.290 200 G C -3.517 171.358 174.900 -0.042 0.000 1.410 200 G CA -1.623 43.494 45.100 0.027 0.000 0.844 200 G HN 0.374 nan 8.290 nan 0.000 0.478 201 P HA 0.211 nan 4.420 nan 0.000 0.261 201 P C 0.647 177.860 177.300 -0.146 0.000 1.203 201 P CA 0.646 63.481 63.100 -0.441 0.000 0.767 201 P CB 1.056 31.863 31.700 -1.488 0.000 0.785 202 G N 2.026 110.910 108.800 0.141 0.000 3.581 202 G HA2 0.097 4.057 3.960 -0.000 0.000 0.248 202 G HA3 0.097 4.057 3.960 -0.000 0.000 0.248 202 G C -0.146 174.979 174.900 0.374 0.000 1.037 202 G CA 0.136 45.387 45.100 0.251 0.000 0.902 202 G HN 0.420 nan 8.290 nan 0.000 0.512 203 E N 0.715 121.151 120.200 0.393 0.000 2.187 203 E HA 0.579 4.929 4.350 -0.000 0.000 0.268 203 E C 0.284 177.136 176.600 0.420 0.000 0.896 203 E CA -0.012 56.608 56.400 0.367 0.000 0.766 203 E CB 1.375 31.220 29.700 0.240 0.000 1.142 203 E HN 0.878 nan 8.360 nan 0.000 0.408 204 A N 4.916 127.944 122.820 0.347 0.000 2.416 204 A HA -0.137 4.183 4.320 -0.000 0.000 0.293 204 A C -0.482 177.485 177.584 0.637 0.000 1.452 204 A CA 0.607 52.908 52.037 0.441 0.000 0.738 204 A CB -1.819 17.338 19.000 0.261 0.000 1.123 204 A HN 0.394 nan 8.150 nan 0.000 0.389 205 I N 1.186 122.018 120.570 0.436 0.000 2.307 205 I HA 0.368 4.537 4.170 -0.000 0.000 0.289 205 I C 0.293 176.451 176.117 0.067 0.000 1.021 205 I CA -0.812 60.617 61.300 0.216 0.000 1.224 205 I CB 1.062 39.190 38.000 0.213 0.000 1.376 205 I HN 0.540 nan 8.210 nan 0.000 0.470 206 L N 6.641 127.682 121.223 -0.303 0.000 2.331 206 L HA 0.545 4.885 4.340 -0.000 0.000 0.278 206 L C 0.175 176.771 176.870 -0.457 0.000 1.106 206 L CA 0.994 55.450 54.840 -0.641 0.000 0.824 206 L CB 1.088 42.605 42.059 -0.904 0.000 1.142 206 L HN 0.716 nan 8.230 nan 0.000 0.443 207 S N 1.535 116.895 115.700 -0.565 0.000 2.672 207 S HA 0.622 5.092 4.470 -0.000 0.000 0.271 207 S C -0.881 173.432 174.600 -0.477 0.000 1.171 207 S CA -0.096 57.675 58.200 -0.714 0.000 0.817 207 S CB 0.992 63.343 63.200 -1.414 0.000 1.150 207 S HN 0.922 nan 8.310 nan 0.000 0.478 208 T N 0.422 114.693 114.554 -0.472 0.000 2.918 208 T HA 0.610 4.960 4.350 -0.000 0.000 0.302 208 T C 0.304 174.728 174.700 -0.461 0.000 1.045 208 T CA -0.097 61.684 62.100 -0.531 0.000 1.114 208 T CB 0.390 68.737 68.868 -0.868 0.000 0.965 208 T HN 1.298 nan 8.240 nan 0.000 0.540 209 V N -1.110 118.606 119.914 -0.329 0.000 3.160 209 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 209 V C 0.118 176.171 176.094 -0.068 0.000 1.181 209 V CA -1.382 60.825 62.300 -0.155 0.000 1.047 209 V CB 1.196 32.987 31.823 -0.052 0.000 1.068 209 V HN 0.983 nan 8.190 nan 0.000 0.441 210 T N 1.917 116.461 114.554 -0.017 0.000 2.891 210 T HA 0.176 4.526 4.350 -0.000 0.000 0.296 210 T C 0.378 175.073 174.700 -0.008 0.000 1.025 210 T CA 0.138 62.240 62.100 0.004 0.000 1.149 210 T CB 0.226 69.105 68.868 0.020 0.000 1.007 210 T HN 0.835 nan 8.240 nan 0.000 0.528 211 V N 4.180 124.079 119.914 -0.026 0.000 2.583 211 V HA 0.197 4.317 4.120 -0.000 0.000 0.302 211 V C 1.744 177.800 176.094 -0.062 0.000 1.033 211 V CA 1.541 63.782 62.300 -0.098 0.000 1.194 211 V CB -0.369 31.375 31.823 -0.131 0.000 0.879 211 V HN 1.294 nan 8.190 nan 0.000 0.482 212 G N 3.695 112.455 108.800 -0.066 0.000 2.205 212 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 212 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 212 G C 0.540 175.443 174.900 0.005 0.000 0.980 212 G CA 0.463 45.547 45.100 -0.027 0.000 0.632 212 G HN 0.731 nan 8.290 nan 0.000 0.533 213 E N 0.425 120.632 120.200 0.013 0.000 2.472 213 E HA 0.308 4.658 4.350 -0.000 0.000 0.196 213 E C 1.784 178.428 176.600 0.073 0.000 1.033 213 E CA 0.148 56.575 56.400 0.044 0.000 0.886 213 E CB 0.431 30.162 29.700 0.053 0.000 0.944 213 E HN 0.534 nan 8.360 nan 0.000 0.492 214 G N 1.175 110.013 108.800 0.063 0.000 2.588 214 G HA2 0.355 4.315 3.960 -0.000 0.000 0.281 214 G HA3 0.355 4.315 3.960 -0.000 0.000 0.281 214 G C -0.384 174.593 174.900 0.128 0.000 1.236 214 G CA -0.405 44.758 45.100 0.106 0.000 0.969 214 G HN 0.004 nan 8.290 nan 0.000 0.504 215 R N -0.791 119.813 120.500 0.172 0.000 2.584 215 R HA 0.574 4.914 4.340 -0.000 0.000 0.276 215 R C -1.556 174.885 176.300 0.235 0.000 1.046 215 R CA -0.589 55.616 56.100 0.175 0.000 0.906 215 R CB 1.385 31.779 30.300 0.157 0.000 1.215 215 R HN 0.458 nan 8.270 nan 0.000 0.449 216 L N 1.811 123.174 121.223 0.234 0.000 2.359 216 L HA 0.865 5.205 4.340 -0.000 0.000 0.256 216 L C -0.780 176.237 176.870 0.247 0.000 1.026 216 L CA -1.070 53.958 54.840 0.314 0.000 0.828 216 L CB 2.297 44.601 42.059 0.409 0.000 1.406 216 L HN 0.806 nan 8.230 nan 0.000 0.413 217 A N 0.243 123.220 122.820 0.263 0.000 2.430 217 A HA 0.855 5.175 4.320 -0.000 0.000 0.300 217 A C -1.830 175.899 177.584 0.241 0.000 1.124 217 A CA -0.317 51.820 52.037 0.166 0.000 0.766 217 A CB 2.010 21.038 19.000 0.046 0.000 1.328 217 A HN 0.657 nan 8.150 nan 0.000 0.424 218 D N -0.647 119.858 120.400 0.174 0.000 2.654 218 D HA 0.566 5.206 4.640 -0.000 0.000 0.231 218 D C -1.682 174.701 176.300 0.138 0.000 1.239 218 D CA -0.133 53.998 54.000 0.219 0.000 0.790 218 D CB 1.405 42.345 40.800 0.232 0.000 1.480 218 D HN 0.412 nan 8.370 nan 0.000 0.442 219 I N 1.606 122.280 120.570 0.174 0.000 2.499 219 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 219 I C -0.563 175.721 176.117 0.278 0.000 1.048 219 I CA -0.423 60.965 61.300 0.147 0.000 1.062 219 I CB 2.339 40.354 38.000 0.026 0.000 1.238 219 I HN 0.140 nan 8.210 nan 0.000 0.426 220 T N 6.959 121.631 114.554 0.198 0.000 2.848 220 T HA 0.693 5.043 4.350 -0.000 0.000 0.285 220 T C -0.440 174.361 174.700 0.169 0.000 0.995 220 T CA -0.403 61.807 62.100 0.184 0.000 0.970 220 T CB 1.554 70.484 68.868 0.103 0.000 0.976 220 T HN 0.272 nan 8.240 nan 0.000 0.441 221 I N 1.356 122.036 120.570 0.182 0.000 2.569 221 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 221 I C 0.923 177.083 176.117 0.073 0.000 1.088 221 I CA -0.823 60.564 61.300 0.144 0.000 1.047 221 I CB 2.041 40.180 38.000 0.231 0.000 1.237 221 I HN 0.886 nan 8.210 nan 0.000 0.421 222 G N 3.865 112.694 108.800 0.048 0.000 2.258 222 G HA2 -0.137 3.822 3.960 -0.000 0.000 0.274 222 G HA3 -0.137 3.822 3.960 -0.000 0.000 0.274 222 G C 1.017 175.922 174.900 0.009 0.000 1.021 222 G CA 0.708 45.822 45.100 0.023 0.000 0.798 222 G HN 1.703 nan 8.290 nan 0.000 0.507 223 G N -2.334 106.476 108.800 0.016 0.000 2.184 223 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 223 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 223 G C 0.245 175.140 174.900 -0.008 0.000 0.975 223 G CA 1.104 46.208 45.100 0.006 0.000 0.642 223 G HN 1.117 nan 8.290 nan 0.000 0.536 224 Q N 0.350 120.136 119.800 -0.023 0.000 2.282 224 Q HA 0.608 4.948 4.340 -0.000 0.000 0.260 224 Q C -0.083 175.867 176.000 -0.084 0.000 0.964 224 Q CA -0.157 55.601 55.803 -0.075 0.000 0.880 224 Q CB 1.837 30.493 28.738 -0.136 0.000 1.286 224 Q HN 0.299 nan 8.270 nan 0.000 0.445 225 S N 1.572 117.233 115.700 -0.065 0.000 2.554 225 S HA 0.345 4.815 4.470 -0.000 0.000 0.278 225 S C -0.215 174.360 174.600 -0.042 0.000 1.242 225 S CA -0.275 57.938 58.200 0.021 0.000 1.051 225 S CB 0.350 63.598 63.200 0.079 0.000 0.986 225 S HN 0.537 nan 8.310 nan 0.000 0.502 226 Y N 3.707 124.063 120.300 0.094 0.000 2.493 226 Y HA 0.217 4.767 4.550 -0.000 0.000 0.275 226 Y C 1.157 177.118 175.900 0.102 0.000 1.183 226 Y CA -0.334 57.810 58.100 0.072 0.000 1.258 226 Y CB -0.206 38.270 38.460 0.028 0.000 1.108 226 Y HN 0.876 nan 8.280 nan 0.000 0.521 227 F N 1.307 121.337 119.950 0.134 0.000 2.087 227 F HA -0.373 4.154 4.527 -0.000 0.000 0.299 227 F C 2.588 178.458 175.800 0.116 0.000 1.100 227 F CA 2.086 60.154 58.000 0.113 0.000 1.226 227 F CB -0.346 38.695 39.000 0.069 0.000 0.983 227 F HN 0.115 nan 8.300 nan 0.000 0.479 228 S N -0.431 115.417 115.700 0.247 0.000 2.474 228 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 228 S C 1.560 176.211 174.600 0.085 0.000 0.997 228 S CA 1.300 59.592 58.200 0.154 0.000 0.949 228 S CB -0.807 62.485 63.200 0.153 0.000 0.766 228 S HN 0.500 nan 8.310 nan 0.000 0.517 229 N N 1.792 120.545 118.700 0.088 0.000 2.331 229 N HA 0.284 5.024 4.740 -0.000 0.000 0.180 229 N C 0.731 176.261 175.510 0.032 0.000 1.019 229 N CA 1.089 54.191 53.050 0.085 0.000 0.881 229 N CB -0.181 38.394 38.487 0.147 0.000 0.972 229 N HN 0.706 nan 8.380 nan 0.000 0.435 230 G N -0.511 108.271 108.800 -0.030 0.000 3.224 230 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.684 230 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.684 230 G C -1.285 173.504 174.900 -0.185 0.000 1.180 230 G CA -0.722 44.337 45.100 -0.069 0.000 1.099 230 G HN 0.067 nan 8.290 nan 0.000 0.476 231 V N 2.829 122.569 119.914 -0.288 0.000 2.443 231 V HA 0.615 4.735 4.120 -0.000 0.000 0.293 231 V C 0.434 176.280 176.094 -0.414 0.000 1.021 231 V CA -0.935 61.207 62.300 -0.264 0.000 0.848 231 V CB 1.857 33.613 31.823 -0.111 0.000 0.998 231 V HN 0.846 nan 8.190 nan 0.000 0.424 232 V N 7.667 127.302 119.914 -0.464 0.000 2.394 232 V HA 0.404 4.524 4.120 -0.000 0.000 0.282 232 V C -2.033 173.916 176.094 -0.242 0.000 1.031 232 V CA -1.887 60.119 62.300 -0.489 0.000 0.881 232 V CB 1.980 33.506 31.823 -0.496 0.000 0.982 232 V HN 0.700 nan 8.190 nan 0.000 0.451 233 P HA 0.111 nan 4.420 nan 0.000 0.276 233 P C -0.433 176.871 177.300 0.007 0.000 1.235 233 P CA -0.273 62.807 63.100 -0.032 0.000 0.772 233 P CB 0.433 32.169 31.700 0.061 0.000 0.871 234 H N 2.357 121.412 119.070 -0.024 0.000 3.070 234 H HA -0.035 4.521 4.556 -0.000 0.000 0.313 234 H C 0.907 176.225 175.328 -0.017 0.000 0.997 234 H CA 0.693 56.723 56.048 -0.030 0.000 1.438 234 H CB -0.427 29.323 29.762 -0.021 0.000 1.455 234 H HN 0.467 nan 8.280 nan 0.000 0.575 235 N N 4.241 123.001 118.700 0.101 0.000 2.895 235 N HA -0.009 4.731 4.740 -0.000 0.000 0.277 235 N C 0.085 175.624 175.510 0.049 0.000 1.185 235 N CA -0.338 52.732 53.050 0.033 0.000 1.106 235 N CB 0.220 38.645 38.487 -0.102 0.000 1.422 235 N HN 0.413 nan 8.380 nan 0.000 0.521 236 R N 3.567 124.099 120.500 0.054 0.000 2.438 236 R HA 0.271 4.611 4.340 -0.000 0.000 0.287 236 R C -0.880 175.443 176.300 0.038 0.000 1.077 236 R CA -0.031 56.083 56.100 0.023 0.000 1.034 236 R CB 0.569 30.887 30.300 0.030 0.000 0.993 236 R HN 0.434 nan 8.270 nan 0.000 0.459 237 L N 3.735 124.958 121.223 0.001 0.000 2.386 237 L HA 0.485 4.825 4.340 -0.000 0.000 0.271 237 L C -0.231 176.697 176.870 0.096 0.000 0.993 237 L CA -0.940 53.915 54.840 0.024 0.000 0.819 237 L CB 2.289 44.296 42.059 -0.088 0.000 1.294 237 L HN 0.805 nan 8.230 nan 0.000 0.414 238 T N -0.953 113.728 114.554 0.212 0.000 2.924 238 T HA 0.593 4.942 4.350 -0.000 0.000 0.291 238 T C -2.869 171.987 174.700 0.260 0.000 1.045 238 T CA -2.387 59.868 62.100 0.257 0.000 1.015 238 T CB 1.947 70.879 68.868 0.108 0.000 1.103 238 T HN 0.296 nan 8.240 nan 0.000 0.496 239 P HA 0.155 nan 4.420 nan 0.000 0.264 239 P C -0.496 176.681 177.300 -0.204 0.000 1.183 239 P CA 0.104 62.975 63.100 -0.381 0.000 0.763 239 P CB 0.639 32.167 31.700 -0.287 0.000 0.807 240 S N 2.469 118.020 115.700 -0.249 0.000 2.496 240 S HA 0.535 5.005 4.470 -0.000 0.000 0.221 240 S C 0.569 175.086 174.600 -0.138 0.000 1.260 240 S CA 0.387 58.509 58.200 -0.130 0.000 1.181 240 S CB -0.514 62.643 63.200 -0.072 0.000 1.136 240 S HN 0.917 nan 8.310 nan 0.000 0.467 241 G N 3.475 112.203 108.800 -0.119 0.000 2.565 241 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.295 241 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.295 241 G C 0.960 175.783 174.900 -0.128 0.000 1.165 241 G CA 0.718 45.758 45.100 -0.100 0.000 0.977 241 G HN 1.192 nan 8.290 nan 0.000 0.546 242 T N 0.007 114.496 114.554 -0.108 0.000 3.107 242 T HA 0.556 4.906 4.350 -0.000 0.000 0.249 242 T C 1.073 175.692 174.700 -0.136 0.000 1.096 242 T CA 1.768 63.803 62.100 -0.107 0.000 1.012 242 T CB -0.468 68.361 68.868 -0.064 0.000 0.977 242 T HN 1.051 nan 8.240 nan 0.000 0.527 243 S N -1.406 114.186 115.700 -0.179 0.000 3.605 243 S HA 0.716 5.186 4.470 -0.000 0.000 0.301 243 S C -1.953 172.430 174.600 -0.362 0.000 1.083 243 S CA -0.641 57.452 58.200 -0.177 0.000 1.109 243 S CB 0.622 63.782 63.200 -0.065 0.000 1.364 243 S HN 0.239 nan 8.310 nan 0.000 0.758 244 Y N -0.063 120.183 120.300 -0.091 0.000 2.545 244 Y HA 0.778 5.328 4.550 0.000 0.000 0.348 244 Y C -0.016 175.832 175.900 -0.086 0.000 1.002 244 Y CA -0.370 57.673 58.100 -0.095 0.000 1.039 244 Y CB 2.127 40.502 38.460 -0.142 0.000 1.271 244 Y HN 0.830 nan 8.280 nan 0.000 0.467 245 A N 2.643 125.533 122.820 0.117 0.000 2.498 245 A HA 0.747 5.067 4.320 -0.000 0.000 0.298 245 A C -3.043 174.581 177.584 0.067 0.000 1.075 245 A CA -2.046 50.025 52.037 0.056 0.000 0.714 245 A CB 1.529 20.544 19.000 0.025 0.000 1.299 245 A HN 0.390 nan 8.150 nan 0.000 0.407 246 P HA 0.307 nan 4.420 nan 0.000 0.267 246 P C -0.326 177.006 177.300 0.054 0.000 1.209 246 P CA 0.420 63.555 63.100 0.060 0.000 0.763 246 P CB 1.086 32.820 31.700 0.057 0.000 0.816 247 A N 5.526 128.380 122.820 0.056 0.000 3.317 247 A HA 0.431 4.751 4.320 -0.000 0.000 0.307 247 A C -2.348 175.267 177.584 0.050 0.000 1.003 247 A CA -1.369 50.698 52.037 0.049 0.000 0.882 247 A CB 0.412 19.442 19.000 0.049 0.000 1.136 247 A HN 0.352 nan 8.150 nan 0.000 0.488 248 P HA 0.224 nan 4.420 nan 0.000 0.271 248 P C -0.491 176.842 177.300 0.055 0.000 1.218 248 P CA 0.077 63.213 63.100 0.060 0.000 0.780 248 P CB 1.178 32.918 31.700 0.066 0.000 0.901 249 I N 3.440 124.044 120.570 0.058 0.000 2.306 249 I HA 0.193 4.363 4.170 -0.000 0.000 0.288 249 I C 0.280 176.428 176.117 0.052 0.000 1.036 249 I CA -0.405 60.925 61.300 0.050 0.000 1.221 249 I CB -0.042 37.987 38.000 0.049 0.000 1.385 249 I HN 0.211 nan 8.210 nan 0.000 0.472 250 N N 6.510 125.239 118.700 0.048 0.000 2.546 250 N HA 0.704 5.443 4.740 -0.000 0.000 0.238 250 N C -0.324 175.211 175.510 0.042 0.000 0.984 250 N CA -0.120 52.959 53.050 0.050 0.000 0.935 250 N CB 2.188 40.706 38.487 0.052 0.000 1.122 250 N HN 0.735 nan 8.380 nan 0.000 0.510 251 A N 0.656 123.500 122.820 0.041 0.000 2.564 251 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 251 A C -1.156 176.448 177.584 0.034 0.000 1.102 251 A CA -0.640 51.418 52.037 0.034 0.000 0.660 251 A CB 1.306 20.323 19.000 0.029 0.000 1.283 251 A HN 0.292 nan 8.150 nan 0.000 0.430 252 S N -0.761 114.957 115.700 0.030 0.000 2.500 252 S HA 0.804 5.274 4.470 -0.000 0.000 0.301 252 S C -0.525 174.089 174.600 0.024 0.000 1.092 252 S CA 0.249 58.467 58.200 0.030 0.000 1.030 252 S CB 1.288 64.506 63.200 0.030 0.000 1.031 252 S HN 2.228 nan 8.310 nan 0.000 0.483 253 A N 3.207 126.041 122.820 0.023 0.000 2.393 253 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 253 A C -0.629 176.966 177.584 0.019 0.000 1.050 253 A CA -0.633 51.415 52.037 0.019 0.000 0.724 253 A CB 1.794 20.803 19.000 0.015 0.000 1.248 253 A HN 0.685 nan 8.150 nan 0.000 0.424 254 T N 0.730 115.295 114.554 0.017 0.000 2.881 254 T HA 0.808 5.158 4.350 -0.000 0.000 0.290 254 T C -0.009 174.700 174.700 0.015 0.000 1.000 254 T CA 0.060 62.171 62.100 0.018 0.000 0.978 254 T CB 1.764 70.644 68.868 0.020 0.000 0.997 254 T HN 1.710 nan 8.240 nan 0.000 0.443 255 G N 0.850 109.658 108.800 0.014 0.000 2.466 255 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 255 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 255 G C -1.208 173.699 174.900 0.012 0.000 1.460 255 G CA -0.440 44.667 45.100 0.012 0.000 0.791 255 G HN 0.893 nan 8.290 nan 0.000 0.505 256 A N -0.368 122.459 122.820 0.011 0.000 2.511 256 A HA 0.530 4.850 4.320 -0.000 0.000 0.242 256 A C 0.186 177.774 177.584 0.008 0.000 1.069 256 A CA -0.033 52.010 52.037 0.011 0.000 0.763 256 A CB 0.585 19.592 19.000 0.010 0.000 1.001 256 A HN 1.511 nan 8.150 nan 0.000 0.498 257 L N 2.261 123.488 121.223 0.007 0.000 2.367 257 L HA 0.568 4.908 4.340 -0.000 0.000 0.275 257 L C 0.334 177.207 176.870 0.005 0.000 1.129 257 L CA 0.883 55.724 54.840 0.001 0.000 0.839 257 L CB 0.736 42.790 42.059 -0.008 0.000 1.133 257 L HN 0.903 nan 8.230 nan 0.000 0.453 258 A N 4.576 127.401 122.820 0.008 0.000 2.515 258 A HA 0.624 4.944 4.320 -0.000 0.000 0.298 258 A C -1.127 176.473 177.584 0.027 0.000 1.059 258 A CA -0.663 51.384 52.037 0.016 0.000 0.698 258 A CB 1.182 20.191 19.000 0.015 0.000 1.289 258 A HN 0.700 nan 8.150 nan 0.000 0.404 259 E N 0.771 120.995 120.200 0.039 0.000 2.179 259 E HA 0.453 4.803 4.350 -0.000 0.000 0.275 259 E C -0.837 175.804 176.600 0.069 0.000 0.945 259 E CA -0.543 55.897 56.400 0.066 0.000 0.792 259 E CB 1.430 31.181 29.700 0.085 0.000 1.125 259 E HN 0.768 nan 8.360 nan 0.000 0.397 260 c N 4.449 123.097 118.600 0.081 0.000 2.415 260 c HA 0.372 4.942 4.570 -0.000 0.000 0.369 260 c C 0.239 174.404 174.090 0.125 0.000 1.279 260 c CA -0.230 56.153 56.329 0.090 0.000 1.886 260 c CB -0.579 41.975 42.510 0.073 0.000 2.468 260 c HN 0.746 nan 8.230 nan 0.000 0.553 261 T N 5.521 120.141 114.554 0.111 0.000 2.901 261 T HA 0.373 4.723 4.350 -0.000 0.000 0.301 261 T C -0.136 174.620 174.700 0.093 0.000 1.012 261 T CA -0.159 61.994 62.100 0.089 0.000 1.135 261 T CB 0.829 69.731 68.868 0.058 0.000 0.936 261 T HN 0.600 nan 8.240 nan 0.000 0.539 262 V N 4.229 124.159 119.914 0.028 0.000 2.495 262 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 262 V C -0.091 175.941 176.094 -0.104 0.000 1.031 262 V CA -0.932 61.317 62.300 -0.086 0.000 0.871 262 V CB 1.788 33.541 31.823 -0.116 0.000 0.988 262 V HN 0.815 nan 8.190 nan 0.000 0.432 263 N N 3.389 121.996 118.700 -0.155 0.000 2.573 263 N HA 0.477 5.217 4.740 -0.000 0.000 0.262 263 N C 0.510 175.929 175.510 -0.152 0.000 1.029 263 N CA 0.876 53.858 53.050 -0.114 0.000 0.882 263 N CB 1.760 40.200 38.487 -0.077 0.000 1.204 263 N HN 0.937 nan 8.380 nan 0.000 0.519 264 G N 3.081 111.800 108.800 -0.135 0.000 2.620 264 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.315 264 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.315 264 G C 0.628 175.405 174.900 -0.205 0.000 1.179 264 G CA 1.223 46.241 45.100 -0.137 0.000 0.971 264 G HN 0.833 nan 8.290 nan 0.000 0.544 265 T N -1.826 112.599 114.554 -0.215 0.000 3.092 265 T HA 0.620 4.970 4.350 -0.000 0.000 0.258 265 T C 0.678 175.126 174.700 -0.419 0.000 1.031 265 T CA 1.045 62.976 62.100 -0.282 0.000 0.925 265 T CB 0.444 69.216 68.868 -0.159 0.000 1.036 265 T HN 0.778 nan 8.240 nan 0.000 0.544 266 S N 1.151 116.618 115.700 -0.388 0.000 2.565 266 S HA 0.742 5.212 4.470 -0.000 0.000 0.290 266 S C -0.976 173.346 174.600 -0.463 0.000 1.150 266 S CA -0.662 57.335 58.200 -0.337 0.000 1.058 266 S CB 0.668 63.784 63.200 -0.140 0.000 1.032 266 S HN 0.309 nan 8.310 nan 0.000 0.510 267 F N 1.076 121.016 119.950 -0.016 0.000 2.492 267 F HA 0.610 5.137 4.527 -0.000 0.000 0.327 267 F C 0.800 176.595 175.800 -0.008 0.000 1.079 267 F CA -0.728 57.264 58.000 -0.014 0.000 0.967 267 F CB 1.859 40.850 39.000 -0.015 0.000 1.169 267 F HN 0.481 nan 8.300 nan 0.000 0.472 268 S N 0.919 116.742 115.700 0.204 0.000 2.312 268 S HA 0.283 4.753 4.470 -0.000 0.000 0.173 268 S C -0.074 174.586 174.600 0.100 0.000 1.488 268 S CA -0.507 57.760 58.200 0.112 0.000 1.239 268 S CB -0.124 63.116 63.200 0.066 0.000 1.215 268 S HN 0.792 nan 8.310 nan 0.000 0.438 269 c N 2.480 121.132 118.600 0.086 0.000 2.563 269 c HA 0.473 5.043 4.570 -0.000 0.000 0.268 269 c C 1.994 176.103 174.090 0.031 0.000 1.365 269 c CA 0.370 56.728 56.329 0.048 0.000 1.754 269 c CB -1.641 40.873 42.510 0.007 0.000 1.932 269 c HN 1.117 nan 8.230 nan 0.000 0.536 270 G N 1.535 110.353 108.800 0.031 0.000 2.566 270 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 270 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 270 G C -0.240 174.669 174.900 0.014 0.000 1.225 270 G CA 0.302 45.415 45.100 0.022 0.000 0.966 270 G HN 0.459 nan 8.290 nan 0.000 0.560 271 N N 0.907 119.614 118.700 0.011 0.000 2.457 271 N HA 0.493 5.233 4.740 -0.000 0.000 0.250 271 N C 1.108 176.622 175.510 0.006 0.000 0.982 271 N CA -0.608 52.446 53.050 0.007 0.000 0.941 271 N CB 0.640 39.131 38.487 0.007 0.000 1.120 271 N HN 0.366 nan 8.380 nan 0.000 0.505 272 M N 1.460 121.061 119.600 0.002 0.000 2.453 272 M HA 0.238 4.718 4.480 -0.000 0.000 0.239 272 M C 0.377 176.678 176.300 0.000 0.000 1.151 272 M CA -0.354 54.946 55.300 0.000 0.000 0.989 272 M CB -0.804 31.792 32.600 -0.006 0.000 1.548 272 M HN 0.487 nan 8.290 nan 0.000 0.479 273 A N 1.516 124.337 122.820 0.001 0.000 2.567 273 A HA 0.082 4.402 4.320 -0.000 0.000 0.240 273 A C 0.875 178.461 177.584 0.004 0.000 1.053 273 A CA 0.573 52.611 52.037 0.002 0.000 0.755 273 A CB -0.622 18.380 19.000 0.003 0.000 0.978 273 A HN 0.812 nan 8.150 nan 0.000 0.507 274 N N -0.656 118.047 118.700 0.004 0.000 2.778 274 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 274 N C -0.416 175.098 175.510 0.006 0.000 1.069 274 N CA 1.270 54.323 53.050 0.006 0.000 0.831 274 N CB -0.587 37.903 38.487 0.006 0.000 1.142 274 N HN 0.668 nan 8.380 nan 0.000 0.573 275 K N 0.680 121.083 120.400 0.005 0.000 2.238 275 K HA 0.474 4.794 4.320 -0.000 0.000 0.239 275 K C 0.013 176.615 176.600 0.003 0.000 0.987 275 K CA -0.708 55.582 56.287 0.005 0.000 0.857 275 K CB 1.580 34.083 32.500 0.005 0.000 1.154 275 K HN -0.044 nan 8.250 nan 0.000 0.439 276 I N 1.329 121.900 120.570 0.003 0.000 2.315 276 I HA 0.083 4.253 4.170 -0.000 0.000 0.291 276 I C 0.191 176.308 176.117 -0.001 0.000 1.006 276 I CA -0.772 60.528 61.300 -0.001 0.000 1.265 276 I CB 0.900 38.897 38.000 -0.005 0.000 1.387 276 I HN 0.468 nan 8.210 nan 0.000 0.475 277 c N 8.503 127.102 118.600 -0.001 0.000 2.265 277 c HA 0.478 5.048 4.570 -0.000 0.000 0.332 277 c C 0.055 174.155 174.090 0.017 0.000 1.248 277 c CA -0.598 55.734 56.329 0.005 0.000 1.727 277 c CB -0.207 42.299 42.510 -0.007 0.000 2.348 277 c HN 0.618 nan 8.230 nan 0.000 0.519 278 L N 7.341 128.588 121.223 0.039 0.000 2.275 278 L HA 0.791 5.131 4.340 -0.000 0.000 0.288 278 L C -0.397 176.557 176.870 0.140 0.000 1.046 278 L CA 0.389 55.283 54.840 0.091 0.000 0.805 278 L CB 1.386 43.491 42.059 0.077 0.000 1.193 278 L HN 0.557 nan 8.230 nan 0.000 0.426 279 V N 5.294 125.295 119.914 0.145 0.000 2.851 279 V HA 0.389 4.509 4.120 -0.000 0.000 0.307 279 V C -0.621 175.334 176.094 -0.231 0.000 1.129 279 V CA -0.640 61.687 62.300 0.045 0.000 0.932 279 V CB 2.052 33.882 31.823 0.012 0.000 1.024 279 V HN 0.914 nan 8.190 nan 0.000 0.426 280 E N 5.210 125.115 120.200 -0.491 0.000 2.360 280 E HA 0.235 4.585 4.350 -0.000 0.000 0.269 280 E C 0.141 176.541 176.600 -0.333 0.000 1.022 280 E CA -0.521 55.323 56.400 -0.927 0.000 0.887 280 E CB 0.699 29.983 29.700 -0.694 0.000 0.990 280 E HN 0.680 nan 8.360 nan 0.000 0.426 281 R N 3.197 123.521 120.500 -0.295 0.000 2.489 281 R HA 0.114 4.454 4.340 -0.000 0.000 0.287 281 R C -1.142 175.127 176.300 -0.052 0.000 1.053 281 R CA -0.291 55.754 56.100 -0.091 0.000 1.036 281 R CB 0.599 30.858 30.300 -0.068 0.000 0.966 281 R HN 0.280 nan 8.270 nan 0.000 0.432 282 V N 5.440 125.375 119.914 0.035 0.000 2.347 282 V HA 0.522 4.642 4.120 -0.000 0.000 0.280 282 V C 0.646 176.741 176.094 0.003 0.000 1.021 282 V CA 0.598 62.897 62.300 -0.003 0.000 0.847 282 V CB 0.696 32.521 31.823 0.003 0.000 0.990 282 V HN 1.163 nan 8.190 nan 0.000 0.444 283 G N 5.465 114.247 108.800 -0.030 0.000 2.760 283 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.246 283 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.246 283 G C -0.820 174.067 174.900 -0.022 0.000 1.359 283 G CA -0.258 44.826 45.100 -0.026 0.000 0.861 283 G HN 0.813 nan 8.290 nan 0.000 0.541 284 N N -0.912 117.773 118.700 -0.025 0.000 2.396 284 N HA 0.463 5.203 4.740 -0.000 0.000 0.275 284 N C -0.445 175.049 175.510 -0.027 0.000 1.218 284 N CA -0.705 52.334 53.050 -0.019 0.000 0.812 284 N CB 1.967 40.438 38.487 -0.027 0.000 1.592 284 N HN 0.900 nan 8.380 nan 0.000 0.480 285 Q N 0.557 120.358 119.800 0.002 0.000 2.361 285 Q HA 0.421 4.761 4.340 -0.000 0.000 0.276 285 Q C 0.081 176.049 176.000 -0.053 0.000 1.022 285 Q CA 0.835 56.635 55.803 -0.005 0.000 0.898 285 Q CB 0.410 29.231 28.738 0.138 0.000 1.246 285 Q HN 0.821 nan 8.270 nan 0.000 0.410 286 G N 0.955 109.655 108.800 -0.167 0.000 2.445 286 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.104 286 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.104 286 G C 0.374 175.144 174.900 -0.216 0.000 0.958 286 G CA 0.208 45.234 45.100 -0.123 0.000 1.324 286 G HN 0.696 nan 8.290 nan 0.000 0.549 287 S N 0.211 115.807 115.700 -0.173 0.000 2.453 287 S HA 0.310 4.780 4.470 -0.000 0.000 0.231 287 S C 1.232 175.671 174.600 -0.268 0.000 1.005 287 S CA 1.572 59.673 58.200 -0.164 0.000 0.949 287 S CB -0.358 62.785 63.200 -0.094 0.000 0.774 287 S HN 1.782 nan 8.310 nan 0.000 0.510 288 S N -0.640 114.844 115.700 -0.361 0.000 2.732 288 S HA 0.704 5.174 4.470 -0.000 0.000 0.293 288 S C -1.632 172.581 174.600 -0.645 0.000 1.159 288 S CA -0.990 56.964 58.200 -0.409 0.000 0.847 288 S CB 0.556 63.660 63.200 -0.159 0.000 1.169 288 S HN 0.184 nan 8.310 nan 0.000 0.501 289 Y N 1.439 121.733 120.300 -0.009 0.000 2.787 289 Y HA 0.439 4.989 4.550 -0.000 0.000 0.352 289 Y C -1.923 173.964 175.900 -0.023 0.000 1.027 289 Y CA -1.890 56.206 58.100 -0.007 0.000 1.219 289 Y CB 1.348 39.788 38.460 -0.034 0.000 1.110 289 Y HN 0.556 nan 8.280 nan 0.000 0.614 290 P HA -0.048 nan 4.420 nan 0.000 0.245 290 P C 1.064 178.386 177.300 0.036 0.000 1.212 290 P CA 0.612 63.736 63.100 0.042 0.000 0.774 290 P CB 0.707 32.419 31.700 0.020 0.000 0.999 291 E N 0.915 121.133 120.200 0.029 0.000 2.147 291 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 291 E C 1.753 178.312 176.600 -0.069 0.000 1.005 291 E CA 0.847 57.230 56.400 -0.029 0.000 0.810 291 E CB -1.116 28.527 29.700 -0.096 0.000 0.736 291 E HN 0.132 nan 8.360 nan 0.000 0.460 292 I N 0.771 121.304 120.570 -0.062 0.000 2.423 292 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 292 I C 1.374 177.457 176.117 -0.057 0.000 1.151 292 I CA 1.153 62.410 61.300 -0.072 0.000 1.421 292 I CB -0.334 37.636 38.000 -0.051 0.000 1.079 292 I HN 0.128 nan 8.210 nan 0.000 0.431 293 N N 0.185 118.880 118.700 -0.008 0.000 2.028 293 N HA -0.147 4.593 4.740 -0.000 0.000 0.194 293 N C 2.001 177.419 175.510 -0.153 0.000 1.050 293 N CA 1.938 55.002 53.050 0.024 0.000 0.848 293 N CB -0.713 37.880 38.487 0.177 0.000 1.038 293 N HN 0.300 nan 8.380 nan 0.000 0.423 294 S N 0.378 116.045 115.700 -0.054 0.000 2.382 294 S HA -0.073 4.396 4.470 -0.000 0.000 0.228 294 S C 2.039 176.462 174.600 -0.294 0.000 1.027 294 S CA 1.361 59.406 58.200 -0.258 0.000 0.991 294 S CB -0.412 62.816 63.200 0.048 0.000 0.823 294 S HN 0.444 nan 8.310 nan 0.000 0.469 295 T N 1.726 116.194 114.554 -0.144 0.000 2.708 295 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 295 T C 1.819 176.436 174.700 -0.137 0.000 1.037 295 T CA 1.262 63.306 62.100 -0.094 0.000 1.146 295 T CB -0.175 68.657 68.868 -0.060 0.000 0.865 295 T HN 0.384 nan 8.240 nan 0.000 0.435 296 K N 1.052 121.355 120.400 -0.162 0.000 2.097 296 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 296 K C 2.527 179.004 176.600 -0.204 0.000 1.050 296 K CA 0.989 57.190 56.287 -0.143 0.000 0.938 296 K CB -0.309 32.127 32.500 -0.106 0.000 0.718 296 K HN 0.269 nan 8.250 nan 0.000 0.442 297 A N 0.851 123.440 122.820 -0.386 0.000 1.908 297 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 297 A C 2.414 179.836 177.584 -0.270 0.000 1.181 297 A CA 1.834 53.590 52.037 -0.470 0.000 0.627 297 A CB -1.115 17.179 19.000 -1.176 0.000 0.818 297 A HN 0.556 nan 8.150 nan 0.000 0.445 298 c N -1.158 117.299 118.600 -0.238 0.000 2.453 298 c HA -0.030 4.540 4.570 -0.000 0.000 0.277 298 c C 2.742 176.785 174.090 -0.079 0.000 1.262 298 c CA 1.522 57.777 56.329 -0.123 0.000 1.718 298 c CB -0.743 41.714 42.510 -0.089 0.000 2.031 298 c HN 0.721 nan 8.230 nan 0.000 0.480 299 K N 1.052 121.406 120.400 -0.077 0.000 2.026 299 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 299 K C 1.849 178.424 176.600 -0.042 0.000 1.048 299 K CA 2.235 58.494 56.287 -0.047 0.000 0.929 299 K CB -0.911 31.565 32.500 -0.041 0.000 0.713 299 K HN 0.418 nan 8.250 nan 0.000 0.439 300 T N 0.324 114.844 114.554 -0.056 0.000 2.803 300 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 300 T C 1.672 176.354 174.700 -0.030 0.000 1.052 300 T CA 1.363 63.438 62.100 -0.040 0.000 1.136 300 T CB -0.432 68.408 68.868 -0.047 0.000 0.864 300 T HN 0.396 nan 8.240 nan 0.000 0.467 301 A N 0.260 123.057 122.820 -0.038 0.000 2.209 301 A HA 0.445 4.765 4.320 -0.000 0.000 0.212 301 A C 1.953 179.528 177.584 -0.015 0.000 1.158 301 A CA 1.100 53.124 52.037 -0.023 0.000 0.742 301 A CB -0.690 18.295 19.000 -0.025 0.000 0.790 301 A HN 0.774 nan 8.150 nan 0.000 0.472 302 G N -2.415 106.375 108.800 -0.017 0.000 2.148 302 G HA2 0.163 4.123 3.960 -0.000 0.000 0.203 302 G HA3 0.163 4.123 3.960 -0.000 0.000 0.203 302 G C 0.386 175.281 174.900 -0.008 0.000 0.993 302 G CA 0.124 45.218 45.100 -0.009 0.000 0.661 302 G HN 1.556 nan 8.290 nan 0.000 0.518 303 A N 0.481 123.294 122.820 -0.012 0.000 2.531 303 A HA 0.528 4.848 4.320 -0.000 0.000 0.236 303 A C 1.406 178.988 177.584 -0.003 0.000 1.062 303 A CA 1.308 53.340 52.037 -0.008 0.000 0.760 303 A CB 0.247 19.239 19.000 -0.013 0.000 0.995 303 A HN 1.070 nan 8.150 nan 0.000 0.501 304 K N 2.062 122.463 120.400 0.001 0.000 2.361 304 K HA 0.315 4.635 4.320 -0.000 0.000 0.194 304 K C 0.572 177.176 176.600 0.007 0.000 1.032 304 K CA 0.723 57.013 56.287 0.005 0.000 1.048 304 K CB 0.309 32.812 32.500 0.007 0.000 0.842 304 K HN 0.758 nan 8.250 nan 0.000 0.526 305 G N 1.189 109.992 108.800 0.004 0.000 2.718 305 G HA2 0.593 4.553 3.960 -0.000 0.000 0.295 305 G HA3 0.593 4.553 3.960 -0.000 0.000 0.295 305 G C -1.608 173.291 174.900 -0.001 0.000 1.421 305 G CA -0.875 44.227 45.100 0.004 0.000 0.902 305 G HN 0.098 nan 8.290 nan 0.000 0.501 306 I N 0.753 121.321 120.570 -0.003 0.000 2.582 306 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 306 I C -0.846 175.252 176.117 -0.031 0.000 1.066 306 I CA -0.823 60.474 61.300 -0.005 0.000 1.053 306 I CB 2.631 40.641 38.000 0.017 0.000 1.241 306 I HN 0.227 nan 8.210 nan 0.000 0.421 307 I N 6.060 126.616 120.570 -0.023 0.000 2.439 307 I HA 0.352 4.522 4.170 -0.000 0.000 0.283 307 I C -0.722 175.406 176.117 0.019 0.000 1.023 307 I CA -0.770 60.505 61.300 -0.042 0.000 1.100 307 I CB 1.960 39.931 38.000 -0.049 0.000 1.238 307 I HN 0.153 nan 8.210 nan 0.000 0.445 308 V N 7.063 126.974 119.914 -0.006 0.000 2.394 308 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 308 V C -0.614 175.518 176.094 0.064 0.000 1.031 308 V CA -0.574 61.746 62.300 0.033 0.000 0.881 308 V CB 1.078 32.950 31.823 0.081 0.000 0.982 308 V HN 0.569 nan 8.190 nan 0.000 0.451 309 Y N 1.928 122.209 120.300 -0.032 0.000 2.446 309 Y HA 0.756 5.305 4.550 -0.000 0.000 0.338 309 Y C 0.376 176.260 175.900 -0.027 0.000 1.055 309 Y CA -1.185 56.886 58.100 -0.048 0.000 1.101 309 Y CB 0.991 39.416 38.460 -0.058 0.000 1.221 309 Y HN 0.468 nan 8.280 nan 0.000 0.460 310 S N 3.488 119.254 115.700 0.110 0.000 2.558 310 S HA 0.016 4.486 4.470 -0.000 0.000 0.288 310 S C 0.073 174.679 174.600 0.010 0.000 1.318 310 S CA -0.481 57.732 58.200 0.022 0.000 1.056 310 S CB -0.302 62.906 63.200 0.013 0.000 0.853 310 S HN 0.838 nan 8.310 nan 0.000 0.505 311 N N 0.937 119.609 118.700 -0.047 0.000 2.405 311 N HA 0.196 4.936 4.740 -0.000 0.000 0.269 311 N C 0.415 175.919 175.510 -0.010 0.000 1.249 311 N CA -0.766 52.257 53.050 -0.046 0.000 0.974 311 N CB 0.475 38.919 38.487 -0.072 0.000 1.204 311 N HN 0.387 nan 8.380 nan 0.000 0.565 312 S N -0.311 115.384 115.700 -0.008 0.000 2.447 312 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 312 S C 1.940 176.530 174.600 -0.017 0.000 1.006 312 S CA 0.913 59.110 58.200 -0.005 0.000 0.957 312 S CB -0.452 62.746 63.200 -0.004 0.000 0.773 312 S HN 0.695 nan 8.310 nan 0.000 0.507 313 A N 0.788 123.592 122.820 -0.026 0.000 1.898 313 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 313 A C 1.007 178.572 177.584 -0.031 0.000 1.181 313 A CA 0.928 52.947 52.037 -0.030 0.000 0.620 313 A CB -0.126 18.852 19.000 -0.035 0.000 0.819 313 A HN 0.452 nan 8.150 nan 0.000 0.442 314 L N 0.059 121.262 121.223 -0.034 0.000 2.480 314 L HA 0.248 4.588 4.340 -0.000 0.000 0.253 314 L C -2.007 174.838 176.870 -0.042 0.000 1.324 314 L CA -1.243 53.572 54.840 -0.041 0.000 0.916 314 L CB 2.217 44.250 42.059 -0.043 0.000 1.160 314 L HN 0.163 nan 8.230 nan 0.000 0.503 315 P HA -0.047 nan 4.420 nan 0.000 0.233 315 P C 0.884 178.142 177.300 -0.069 0.000 1.167 315 P CA 0.387 63.469 63.100 -0.031 0.000 0.770 315 P CB 0.433 32.123 31.700 -0.017 0.000 0.837 316 G N 0.939 109.670 108.800 -0.114 0.000 2.684 316 G HA2 0.233 4.193 3.960 -0.000 0.000 0.255 316 G HA3 0.233 4.193 3.960 -0.000 0.000 0.255 316 G C -0.605 174.172 174.900 -0.205 0.000 1.219 316 G CA -0.483 44.489 45.100 -0.214 0.000 0.901 316 G HN 0.197 nan 8.290 nan 0.000 0.548 317 L N 0.392 121.432 121.223 -0.306 0.000 2.418 317 L HA 0.252 4.592 4.340 -0.000 0.000 0.274 317 L C -0.029 176.760 176.870 -0.135 0.000 1.135 317 L CA 0.017 54.727 54.840 -0.216 0.000 0.870 317 L CB 0.661 42.568 42.059 -0.253 0.000 1.154 317 L HN 0.347 nan 8.230 nan 0.000 0.462 318 Q N 4.676 124.424 119.800 -0.087 0.000 2.306 318 Q HA 0.301 4.641 4.340 -0.000 0.000 0.265 318 Q C -0.633 175.343 176.000 -0.040 0.000 1.022 318 Q CA -0.196 55.585 55.803 -0.037 0.000 0.853 318 Q CB 1.589 30.317 28.738 -0.017 0.000 1.327 318 Q HN 0.733 nan 8.270 nan 0.000 0.449 319 N N 2.112 120.802 118.700 -0.016 0.000 2.813 319 N HA 0.222 4.962 4.740 -0.000 0.000 0.282 319 N C -2.437 173.013 175.510 -0.099 0.000 1.748 319 N CA -1.326 51.695 53.050 -0.049 0.000 0.860 319 N CB 1.081 39.555 38.487 -0.021 0.000 1.204 319 N HN 0.278 nan 8.380 nan 0.000 0.490 320 P HA 0.212 nan 4.420 nan 0.000 0.278 320 P C -0.728 176.480 177.300 -0.153 0.000 1.266 320 P CA -0.279 62.786 63.100 -0.059 0.000 0.807 320 P CB 0.985 32.719 31.700 0.057 0.000 1.094 321 F N 0.316 120.264 119.950 -0.003 0.000 2.438 321 F HA 0.183 4.710 4.527 -0.000 0.000 0.356 321 F C 1.041 176.741 175.800 -0.166 0.000 1.099 321 F CA -0.471 57.448 58.000 -0.135 0.000 1.185 321 F CB 0.611 39.414 39.000 -0.329 0.000 1.115 321 F HN 0.068 nan 8.300 nan 0.000 0.526 322 L N 6.253 127.452 121.223 -0.041 0.000 2.315 322 L HA 0.380 4.720 4.340 -0.000 0.000 0.278 322 L C -0.720 176.062 176.870 -0.147 0.000 1.088 322 L CA -0.291 54.444 54.840 -0.175 0.000 0.899 322 L CB 0.096 41.957 42.059 -0.330 0.000 1.277 322 L HN 0.306 nan 8.230 nan 0.000 0.431 323 V N 4.145 123.949 119.914 -0.183 0.000 2.397 323 V HA 0.142 4.262 4.120 -0.000 0.000 0.262 323 V C 0.150 176.126 176.094 -0.198 0.000 1.047 323 V CA -0.176 61.919 62.300 -0.343 0.000 1.003 323 V CB 0.630 32.186 31.823 -0.444 0.000 1.037 323 V HN 0.616 nan 8.190 nan 0.000 0.480 324 D N 4.412 124.738 120.400 -0.123 0.000 2.514 324 D HA 0.484 5.124 4.640 -0.000 0.000 0.267 324 D C 1.034 177.394 176.300 0.100 0.000 1.165 324 D CA 0.051 54.044 54.000 -0.012 0.000 0.958 324 D CB 1.341 42.139 40.800 -0.004 0.000 0.992 324 D HN 0.512 nan 8.370 nan 0.000 0.506 325 A N 3.245 126.142 122.820 0.129 0.000 1.917 325 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 325 A C 1.649 179.300 177.584 0.112 0.000 1.182 325 A CA 1.199 53.364 52.037 0.212 0.000 0.633 325 A CB -0.067 19.037 19.000 0.172 0.000 0.819 325 A HN 0.480 nan 8.150 nan 0.000 0.448 326 N N -0.338 118.401 118.700 0.065 0.000 2.235 326 N HA 0.106 4.846 4.740 -0.000 0.000 0.209 326 N C -0.220 175.308 175.510 0.031 0.000 1.122 326 N CA 0.697 53.770 53.050 0.038 0.000 0.845 326 N CB 0.401 38.902 38.487 0.024 0.000 1.004 326 N HN 0.266 nan 8.380 nan 0.000 0.499 327 S N 0.904 116.629 115.700 0.041 0.000 3.614 327 S HA -0.132 4.338 4.470 -0.000 0.000 0.360 327 S C 0.579 175.189 174.600 0.017 0.000 1.023 327 S CA 0.547 58.766 58.200 0.031 0.000 1.114 327 S CB -0.810 62.407 63.200 0.028 0.000 0.907 327 S HN 0.405 nan 8.310 nan 0.000 0.470 328 D N 0.668 121.075 120.400 0.010 0.000 2.162 328 D HA 0.023 4.663 4.640 -0.000 0.000 0.203 328 D C 0.944 177.242 176.300 -0.002 0.000 0.967 328 D CA 0.614 54.614 54.000 0.000 0.000 0.840 328 D CB 0.031 40.826 40.800 -0.008 0.000 0.972 328 D HN 0.456 nan 8.370 nan 0.000 0.482 329 I N 2.491 123.060 120.570 -0.002 0.000 2.278 329 I HA 0.021 4.191 4.170 -0.000 0.000 0.300 329 I C 1.162 177.288 176.117 0.016 0.000 1.174 329 I CA 0.380 61.682 61.300 0.003 0.000 1.347 329 I CB -0.730 37.270 38.000 -0.001 0.000 1.473 329 I HN -0.129 nan 8.210 nan 0.000 0.595 330 T N 1.172 115.734 114.554 0.015 0.000 3.145 330 T HA 0.298 4.648 4.350 -0.000 0.000 0.255 330 T C 0.414 175.127 174.700 0.021 0.000 1.039 330 T CA -0.324 61.787 62.100 0.019 0.000 0.928 330 T CB -0.321 68.556 68.868 0.014 0.000 1.029 330 T HN 0.283 nan 8.240 nan 0.000 0.554 331 V N -2.013 117.915 119.914 0.023 0.000 3.019 331 V HA 0.788 4.908 4.120 -0.000 0.000 0.317 331 V C -2.972 173.142 176.094 0.034 0.000 1.094 331 V CA -3.193 59.122 62.300 0.024 0.000 1.000 331 V CB 1.760 33.592 31.823 0.016 0.000 1.060 331 V HN -0.069 nan 8.190 nan 0.000 0.443 332 P HA 0.266 nan 4.420 nan 0.000 0.271 332 P C -0.477 176.839 177.300 0.027 0.000 1.226 332 P CA 0.375 63.494 63.100 0.033 0.000 0.765 332 P CB 1.043 32.759 31.700 0.026 0.000 0.835 333 S N 2.230 117.954 115.700 0.039 0.000 2.548 333 S HA 0.761 5.231 4.470 -0.000 0.000 0.286 333 S C -0.212 174.268 174.600 -0.199 0.000 1.098 333 S CA -0.739 57.469 58.200 0.014 0.000 0.930 333 S CB 1.638 64.978 63.200 0.232 0.000 1.070 333 S HN 0.449 nan 8.310 nan 0.000 0.480 334 V N -1.231 118.451 119.914 -0.387 0.000 3.160 334 V HA 0.962 5.082 4.120 -0.000 0.000 0.310 334 V C -0.413 175.314 176.094 -0.612 0.000 1.181 334 V CA -0.710 61.282 62.300 -0.513 0.000 1.047 334 V CB 1.422 33.102 31.823 -0.239 0.000 1.068 334 V HN 1.091 nan 8.190 nan 0.000 0.441 335 S N 0.785 116.207 115.700 -0.464 0.000 2.500 335 S HA 0.879 5.349 4.470 -0.000 0.000 0.301 335 S C -0.719 173.765 174.600 -0.194 0.000 1.092 335 S CA 0.043 58.084 58.200 -0.265 0.000 1.030 335 S CB 1.214 64.316 63.200 -0.163 0.000 1.031 335 S HN 2.234 nan 8.310 nan 0.000 0.483 336 V N 1.711 121.558 119.914 -0.112 0.000 3.040 336 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 336 V C -0.544 175.523 176.094 -0.046 0.000 1.115 336 V CA -1.165 61.075 62.300 -0.101 0.000 0.998 336 V CB 1.644 33.407 31.823 -0.101 0.000 1.042 336 V HN 0.895 nan 8.190 nan 0.000 0.433 337 D N 1.455 121.815 120.400 -0.067 0.000 2.384 337 D HA 0.173 4.813 4.640 -0.000 0.000 0.244 337 D C 1.096 177.404 176.300 0.013 0.000 1.251 337 D CA -0.121 53.849 54.000 -0.050 0.000 0.961 337 D CB 0.726 41.463 40.800 -0.105 0.000 1.116 337 D HN 0.713 nan 8.370 nan 0.000 0.484 338 R N -0.133 120.387 120.500 0.034 0.000 2.081 338 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 338 R C 2.101 178.394 176.300 -0.012 0.000 1.131 338 R CA 1.606 57.760 56.100 0.090 0.000 0.960 338 R CB -0.655 29.695 30.300 0.083 0.000 0.856 338 R HN 0.580 nan 8.270 nan 0.000 0.436 339 A N -0.209 122.596 122.820 -0.025 0.000 1.908 339 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 339 A C 2.153 179.698 177.584 -0.065 0.000 1.181 339 A CA 2.146 54.161 52.037 -0.036 0.000 0.627 339 A CB -0.884 18.110 19.000 -0.012 0.000 0.818 339 A HN 0.471 nan 8.150 nan 0.000 0.445 340 T N -0.495 114.019 114.554 -0.067 0.000 2.812 340 T HA 0.021 4.371 4.350 -0.000 0.000 0.264 340 T C 2.001 176.574 174.700 -0.213 0.000 1.042 340 T CA 1.286 63.333 62.100 -0.088 0.000 1.140 340 T CB -0.619 68.209 68.868 -0.066 0.000 0.870 340 T HN 0.581 nan 8.240 nan 0.000 0.445 341 G N 1.540 110.165 108.800 -0.292 0.000 2.440 341 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 341 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 341 G C 1.489 175.933 174.900 -0.760 0.000 1.154 341 G CA 0.507 45.195 45.100 -0.687 0.000 0.767 341 G HN 0.434 nan 8.290 nan 0.000 0.552 342 L N 0.599 121.509 121.223 -0.522 0.000 2.083 342 L HA -0.036 4.304 4.340 -0.000 0.000 0.209 342 L C 3.352 180.105 176.870 -0.196 0.000 1.083 342 L CA 0.934 55.582 54.840 -0.320 0.000 0.752 342 L CB -0.360 41.602 42.059 -0.161 0.000 0.899 342 L HN 0.316 nan 8.230 nan 0.000 0.433 343 A N -0.200 122.532 122.820 -0.147 0.000 2.067 343 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 343 A C 2.192 179.740 177.584 -0.060 0.000 1.158 343 A CA 1.066 53.069 52.037 -0.057 0.000 0.661 343 A CB -0.482 18.528 19.000 0.016 0.000 0.801 343 A HN 0.381 nan 8.150 nan 0.000 0.452 344 L N -0.997 120.129 121.223 -0.163 0.000 2.395 344 L HA -0.085 4.255 4.340 -0.000 0.000 0.218 344 L C 2.279 179.079 176.870 -0.116 0.000 1.130 344 L CA 0.793 55.530 54.840 -0.171 0.000 0.826 344 L CB -0.239 41.648 42.059 -0.287 0.000 0.941 344 L HN 0.329 nan 8.230 nan 0.000 0.451 345 K N 0.340 120.662 120.400 -0.130 0.000 2.103 345 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 345 K C 2.167 178.745 176.600 -0.037 0.000 1.048 345 K CA 1.391 57.630 56.287 -0.081 0.000 0.930 345 K CB -0.243 32.208 32.500 -0.082 0.000 0.716 345 K HN 0.302 nan 8.250 nan 0.000 0.444 346 A N 1.344 124.149 122.820 -0.026 0.000 2.070 346 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 346 A C 1.469 179.059 177.584 0.009 0.000 1.159 346 A CA 1.300 53.336 52.037 -0.003 0.000 0.656 346 A CB -0.032 18.972 19.000 0.008 0.000 0.800 346 A HN 0.064 nan 8.150 nan 0.000 0.453 347 K N -0.166 120.239 120.400 0.009 0.000 2.404 347 K HA 0.269 4.589 4.320 -0.000 0.000 0.194 347 K C 0.029 176.635 176.600 0.009 0.000 1.023 347 K CA -0.161 56.140 56.287 0.022 0.000 1.094 347 K CB -0.334 32.195 32.500 0.048 0.000 0.841 347 K HN 0.463 nan 8.250 nan 0.000 0.523 348 L N 0.809 122.031 121.223 -0.001 0.000 2.578 348 L HA -0.073 4.267 4.340 -0.000 0.000 0.279 348 L C 1.464 178.338 176.870 0.008 0.000 1.227 348 L CA 1.072 55.912 54.840 0.001 0.000 0.900 348 L CB -0.078 41.982 42.059 0.001 0.000 1.144 348 L HN 0.561 nan 8.230 nan 0.000 0.496 349 G N 1.815 110.620 108.800 0.009 0.000 2.258 349 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.233 349 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.233 349 G C 0.256 175.164 174.900 0.013 0.000 1.006 349 G CA -0.346 44.760 45.100 0.011 0.000 0.620 349 G HN 0.572 nan 8.290 nan 0.000 0.511 350 Q N 0.808 120.617 119.800 0.016 0.000 2.259 350 Q HA 0.557 4.897 4.340 -0.000 0.000 0.246 350 Q C 0.395 176.409 176.000 0.023 0.000 0.920 350 Q CA 0.110 55.926 55.803 0.022 0.000 0.895 350 Q CB 1.495 30.252 28.738 0.030 0.000 1.220 350 Q HN 0.234 nan 8.270 nan 0.000 0.439 351 S N 1.283 116.998 115.700 0.024 0.000 2.525 351 S HA 0.075 4.545 4.470 -0.000 0.000 0.285 351 S C -0.667 173.954 174.600 0.034 0.000 1.283 351 S CA 0.023 58.238 58.200 0.025 0.000 1.072 351 S CB 0.028 63.242 63.200 0.023 0.000 0.867 351 S HN 0.489 nan 8.310 nan 0.000 0.492 352 T N 4.703 119.275 114.554 0.029 0.000 2.861 352 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 352 T C -0.711 174.008 174.700 0.032 0.000 1.003 352 T CA -0.582 61.539 62.100 0.035 0.000 0.977 352 T CB 1.728 70.605 68.868 0.015 0.000 0.996 352 T HN 0.533 nan 8.240 nan 0.000 0.448 353 T N 2.681 117.262 114.554 0.046 0.000 2.770 353 T HA 0.541 4.891 4.350 -0.000 0.000 0.283 353 T C -0.332 174.393 174.700 0.042 0.000 0.988 353 T CA -0.486 61.639 62.100 0.041 0.000 0.957 353 T CB 0.884 69.780 68.868 0.047 0.000 0.930 353 T HN 0.335 nan 8.240 nan 0.000 0.443 354 V N 4.056 123.987 119.914 0.028 0.000 2.417 354 V HA 0.758 4.878 4.120 -0.000 0.000 0.291 354 V C -0.060 176.052 176.094 0.031 0.000 1.024 354 V CA -0.701 61.612 62.300 0.022 0.000 0.861 354 V CB 1.572 33.394 31.823 -0.002 0.000 0.985 354 V HN 1.045 nan 8.190 nan 0.000 0.436 355 S N 3.770 119.496 115.700 0.044 0.000 2.540 355 S HA 0.647 5.117 4.470 -0.000 0.000 0.275 355 S C -1.211 173.426 174.600 0.063 0.000 1.123 355 S CA -0.967 57.263 58.200 0.051 0.000 0.907 355 S CB 2.012 65.246 63.200 0.057 0.000 1.081 355 S HN 0.532 nan 8.310 nan 0.000 0.476 356 N N 1.924 120.660 118.700 0.059 0.000 2.372 356 N HA 0.443 5.183 4.740 -0.000 0.000 0.285 356 N C -1.239 174.317 175.510 0.076 0.000 1.008 356 N CA -0.362 52.731 53.050 0.073 0.000 0.880 356 N CB 1.908 40.432 38.487 0.062 0.000 1.239 356 N HN 0.826 nan 8.380 nan 0.000 0.484 357 Q N 0.767 120.623 119.800 0.093 0.000 2.347 357 Q HA 0.654 4.994 4.340 -0.000 0.000 0.271 357 Q C -0.401 175.654 176.000 0.091 0.000 1.064 357 Q CA -0.905 54.947 55.803 0.082 0.000 0.800 357 Q CB 1.859 30.643 28.738 0.076 0.000 1.304 357 Q HN 0.696 nan 8.270 nan 0.000 0.438 358 G N 1.400 110.244 108.800 0.074 0.000 2.583 358 G HA2 0.240 4.200 3.960 -0.000 0.000 0.280 358 G HA3 0.240 4.200 3.960 -0.000 0.000 0.280 358 G C -0.272 174.666 174.900 0.063 0.000 1.376 358 G CA -0.405 44.740 45.100 0.074 0.000 1.043 358 G HN 0.913 nan 8.290 nan 0.000 0.538 359 N N -0.723 118.009 118.700 0.053 0.000 2.725 359 N HA -0.117 4.623 4.740 -0.000 0.000 0.249 359 N C 0.057 175.587 175.510 0.033 0.000 1.103 359 N CA 0.926 53.996 53.050 0.035 0.000 0.707 359 N CB -0.525 37.977 38.487 0.025 0.000 1.043 359 N HN 0.498 nan 8.380 nan 0.000 0.553 360 Q N 0.087 119.920 119.800 0.055 0.000 2.169 360 Q HA 0.328 4.668 4.340 -0.000 0.000 0.234 360 Q C 0.665 176.665 176.000 0.001 0.000 0.980 360 Q CA -0.202 55.642 55.803 0.069 0.000 0.941 360 Q CB 0.687 29.515 28.738 0.149 0.000 1.199 360 Q HN 0.058 nan 8.270 nan 0.000 0.496 361 D N -0.337 120.021 120.400 -0.069 0.000 2.440 361 D HA 0.183 4.823 4.640 -0.000 0.000 0.216 361 D C -0.488 175.408 176.300 -0.673 0.000 1.150 361 D CA 0.387 54.170 54.000 -0.363 0.000 0.832 361 D CB 0.458 40.894 40.800 -0.606 0.000 0.992 361 D HN 0.278 nan 8.370 nan 0.000 0.502 362 Y N 0.155 120.501 120.300 0.078 0.000 2.615 362 Y HA 0.532 5.082 4.550 -0.000 0.000 0.341 362 Y C -0.079 175.836 175.900 0.025 0.000 1.089 362 Y CA -1.113 56.992 58.100 0.009 0.000 1.049 362 Y CB 2.232 40.702 38.460 0.016 0.000 1.296 362 Y HN -0.333 nan 8.280 nan 0.000 0.470 363 E N -0.047 120.214 120.200 0.102 0.000 2.388 363 E HA 0.344 4.694 4.350 -0.000 0.000 0.281 363 E C -2.239 174.414 176.600 0.089 0.000 1.046 363 E CA -0.737 55.751 56.400 0.146 0.000 0.825 363 E CB 1.493 31.315 29.700 0.204 0.000 1.243 363 E HN 0.582 nan 8.360 nan 0.000 0.438 364 Y N 1.722 122.154 120.300 0.219 0.000 2.327 364 Y HA 0.366 4.916 4.550 -0.000 0.000 0.336 364 Y C -0.480 175.624 175.900 0.339 0.000 1.035 364 Y CA 0.262 58.500 58.100 0.229 0.000 1.165 364 Y CB 0.815 39.357 38.460 0.138 0.000 1.181 364 Y HN 0.308 nan 8.280 nan 0.000 0.494 365 Y N 1.742 122.106 120.300 0.107 0.000 2.570 365 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 365 Y C -0.418 175.463 175.900 -0.031 0.000 1.014 365 Y CA -1.405 56.615 58.100 -0.133 0.000 1.063 365 Y CB 2.250 40.341 38.460 -0.615 0.000 1.272 365 Y HN 0.539 nan 8.280 nan 0.000 0.477 366 N N -0.053 118.669 118.700 0.036 0.000 2.292 366 N HA 0.759 5.499 4.740 -0.000 0.000 0.303 366 N C -1.000 174.428 175.510 -0.137 0.000 1.140 366 N CA -0.794 52.263 53.050 0.013 0.000 0.788 366 N CB 2.436 40.859 38.487 -0.107 0.000 1.361 366 N HN 0.821 nan 8.380 nan 0.000 0.489 367 G N -0.943 107.851 108.800 -0.010 0.000 2.337 367 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.310 367 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.310 367 G C 0.336 175.404 174.900 0.280 0.000 1.534 367 G CA -0.376 44.691 45.100 -0.054 0.000 0.982 367 G HN 0.505 nan 8.290 nan 0.000 0.672 368 T N -1.618 113.129 114.554 0.321 0.000 3.007 368 T HA 0.004 4.354 4.350 -0.000 0.000 0.270 368 T C 2.265 177.082 174.700 0.196 0.000 1.107 368 T CA 2.114 64.378 62.100 0.273 0.000 1.118 368 T CB -0.048 68.960 68.868 0.234 0.000 0.889 368 T HN 0.526 nan 8.240 nan 0.000 0.506 369 S N 1.090 116.898 115.700 0.180 0.000 2.447 369 S HA 0.105 4.574 4.470 -0.000 0.000 0.233 369 S C 1.687 176.370 174.600 0.139 0.000 1.006 369 S CA 0.843 59.155 58.200 0.187 0.000 0.957 369 S CB -0.333 63.069 63.200 0.337 0.000 0.773 369 S HN 0.344 nan 8.310 nan 0.000 0.507 370 M N 0.871 120.567 119.600 0.160 0.000 2.394 370 M HA 0.303 4.783 4.480 -0.000 0.000 0.266 370 M C 2.177 178.634 176.300 0.262 0.000 1.098 370 M CA 0.637 56.047 55.300 0.184 0.000 1.149 370 M CB -0.773 31.954 32.600 0.211 0.000 1.369 370 M HN 0.277 nan 8.290 nan 0.000 0.450 371 A N -0.662 122.296 122.820 0.231 0.000 1.929 371 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 371 A C 2.242 179.952 177.584 0.209 0.000 1.176 371 A CA 2.037 54.203 52.037 0.214 0.000 0.628 371 A CB -1.198 17.895 19.000 0.156 0.000 0.816 371 A HN 0.433 nan 8.150 nan 0.000 0.444 372 T N 1.015 115.668 114.554 0.165 0.000 2.635 372 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 372 T C -0.250 174.515 174.700 0.108 0.000 1.040 372 T CA 1.883 64.061 62.100 0.131 0.000 1.156 372 T CB -1.167 67.774 68.868 0.122 0.000 0.863 372 T HN 0.509 nan 8.240 nan 0.000 0.430 373 P HA -0.073 nan 4.420 nan 0.000 0.223 373 P C 0.739 178.012 177.300 -0.045 0.000 1.151 373 P CA 1.325 64.422 63.100 -0.006 0.000 0.787 373 P CB -0.136 31.520 31.700 -0.073 0.000 0.788 374 H N -0.590 118.482 119.070 0.003 0.000 2.357 374 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 374 H C 2.057 177.400 175.328 0.026 0.000 1.082 374 H CA 1.232 57.275 56.048 -0.009 0.000 1.342 374 H CB -0.731 29.007 29.762 -0.039 0.000 1.389 374 H HN -0.126 nan 8.280 nan 0.000 0.511 375 V N 0.331 120.345 119.914 0.168 0.000 2.307 375 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 375 V C 2.431 178.585 176.094 0.101 0.000 1.045 375 V CA 1.931 64.303 62.300 0.120 0.000 1.024 375 V CB -0.549 31.339 31.823 0.108 0.000 0.651 375 V HN 0.599 nan 8.190 nan 0.000 0.449 376 S N 0.747 116.503 115.700 0.094 0.000 2.406 376 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 376 S C 2.093 176.749 174.600 0.094 0.000 1.020 376 S CA 1.193 59.451 58.200 0.097 0.000 0.965 376 S CB -0.762 62.492 63.200 0.091 0.000 0.798 376 S HN 0.519 nan 8.310 nan 0.000 0.488 377 G N 1.575 110.414 108.800 0.064 0.000 2.421 377 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 377 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 377 G C 1.440 176.391 174.900 0.085 0.000 1.171 377 G CA 0.974 46.105 45.100 0.051 0.000 0.775 377 G HN 0.456 nan 8.290 nan 0.000 0.543 378 V N 1.526 121.496 119.914 0.094 0.000 2.427 378 V HA -0.101 4.019 4.120 -0.000 0.000 0.248 378 V C 3.319 179.490 176.094 0.129 0.000 1.051 378 V CA 1.902 64.267 62.300 0.109 0.000 1.048 378 V CB -0.707 31.178 31.823 0.103 0.000 0.666 378 V HN 0.478 nan 8.190 nan 0.000 0.456 379 A N -0.159 122.737 122.820 0.126 0.000 1.908 379 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 379 A C 2.403 180.140 177.584 0.254 0.000 1.181 379 A CA 2.620 54.744 52.037 0.145 0.000 0.627 379 A CB -0.967 18.106 19.000 0.122 0.000 0.818 379 A HN 0.511 nan 8.150 nan 0.000 0.445 380 T N 0.025 114.721 114.554 0.238 0.000 2.777 380 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 380 T C 1.849 176.681 174.700 0.221 0.000 1.040 380 T CA 1.439 63.689 62.100 0.250 0.000 1.141 380 T CB -0.391 68.565 68.868 0.146 0.000 0.868 380 T HN 0.336 nan 8.240 nan 0.000 0.444 381 L N 1.455 122.789 121.223 0.184 0.000 2.012 381 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 381 L C 2.428 179.482 176.870 0.307 0.000 1.073 381 L CA 1.617 56.574 54.840 0.194 0.000 0.748 381 L CB -0.833 41.326 42.059 0.167 0.000 0.891 381 L HN 0.071 nan 8.230 nan 0.000 0.431 382 V N -1.366 118.723 119.914 0.293 0.000 2.307 382 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 382 V C 2.186 178.549 176.094 0.448 0.000 1.045 382 V CA 1.855 64.353 62.300 0.329 0.000 1.024 382 V CB -0.996 30.944 31.823 0.195 0.000 0.651 382 V HN 0.723 nan 8.190 nan 0.000 0.449 383 W N 1.649 123.055 121.300 0.177 0.000 2.392 383 W HA -0.192 4.467 4.660 -0.000 0.000 0.279 383 W C 2.861 179.452 176.519 0.120 0.000 1.225 383 W CA 1.712 59.151 57.345 0.155 0.000 1.233 383 W CB -0.754 28.769 29.460 0.104 0.000 1.122 383 W HN 0.485 nan 8.180 nan 0.000 0.561 384 S N -1.366 114.484 115.700 0.250 0.000 2.469 384 S HA -0.251 4.219 4.470 -0.000 0.000 0.238 384 S C 1.643 176.176 174.600 -0.111 0.000 0.998 384 S CA 1.196 59.387 58.200 -0.015 0.000 0.957 384 S CB -1.113 62.026 63.200 -0.101 0.000 0.764 384 S HN 0.303 nan 8.310 nan 0.000 0.514 385 Y N 1.009 121.305 120.300 -0.007 0.000 2.519 385 Y HA 0.201 4.751 4.550 -0.000 0.000 0.287 385 Y C 1.156 176.734 175.900 -0.538 0.000 1.128 385 Y CA 0.588 58.545 58.100 -0.240 0.000 1.282 385 Y CB 0.201 38.513 38.460 -0.247 0.000 1.027 385 Y HN 0.445 nan 8.280 nan 0.000 0.551 386 H N -0.510 118.745 119.070 0.309 0.000 2.597 386 H HA 0.187 4.743 4.556 -0.000 0.000 0.225 386 H C -2.045 173.487 175.328 0.339 0.000 1.422 386 H CA -1.524 54.687 56.048 0.272 0.000 1.335 386 H CB 0.563 30.484 29.762 0.264 0.000 1.783 386 H HN 0.146 nan 8.280 nan 0.000 0.513 387 P HA -0.136 nan 4.420 nan 0.000 0.223 387 P C 1.032 178.426 177.300 0.157 0.000 1.144 387 P CA 1.041 64.159 63.100 0.030 0.000 0.783 387 P CB 0.651 32.279 31.700 -0.120 0.000 0.771 388 E N -0.881 119.447 120.200 0.213 0.000 2.442 388 E HA 0.023 4.373 4.350 -0.000 0.000 0.195 388 E C 0.744 177.492 176.600 0.246 0.000 1.030 388 E CA 0.027 56.539 56.400 0.187 0.000 0.869 388 E CB -0.569 29.207 29.700 0.127 0.000 0.857 388 E HN 0.278 nan 8.360 nan 0.000 0.505 389 c N 2.055 120.862 118.600 0.346 0.000 2.657 389 c HA 0.246 4.816 4.570 -0.000 0.000 0.404 389 c C 1.407 175.679 174.090 0.303 0.000 1.291 389 c CA -0.741 55.737 56.329 0.249 0.000 2.218 389 c CB 0.361 42.979 42.510 0.181 0.000 2.687 389 c HN 0.317 nan 8.230 nan 0.000 0.634 390 S N 1.852 117.625 115.700 0.120 0.000 2.632 390 S HA 0.469 4.939 4.470 -0.000 0.000 0.267 390 S C 0.923 175.434 174.600 -0.149 0.000 1.276 390 S CA -0.022 58.231 58.200 0.090 0.000 0.998 390 S CB 0.950 64.152 63.200 0.003 0.000 0.953 390 S HN 0.965 nan 8.310 nan 0.000 0.547 391 A N 1.767 124.502 122.820 -0.142 0.000 1.908 391 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 391 A C 2.356 179.793 177.584 -0.244 0.000 1.181 391 A CA 2.030 53.832 52.037 -0.390 0.000 0.627 391 A CB -1.642 17.338 19.000 -0.034 0.000 0.818 391 A HN 0.850 nan 8.150 nan 0.000 0.445 392 S N -0.408 115.165 115.700 -0.213 0.000 2.368 392 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 392 S C 2.091 176.652 174.600 -0.065 0.000 1.030 392 S CA 1.640 59.785 58.200 -0.092 0.000 0.999 392 S CB -0.318 62.768 63.200 -0.191 0.000 0.844 392 S HN 0.718 nan 8.310 nan 0.000 0.459 393 Q N 0.199 119.933 119.800 -0.109 0.000 2.119 393 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 393 Q C 2.257 178.175 176.000 -0.137 0.000 0.972 393 Q CA 1.117 56.877 55.803 -0.071 0.000 0.847 393 Q CB -0.218 28.501 28.738 -0.032 0.000 0.903 393 Q HN 0.358 nan 8.270 nan 0.000 0.433 394 V N 0.788 120.523 119.914 -0.298 0.000 2.358 394 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 394 V C 2.303 178.239 176.094 -0.263 0.000 1.047 394 V CA 1.883 63.960 62.300 -0.372 0.000 1.035 394 V CB -0.551 30.805 31.823 -0.778 0.000 0.658 394 V HN 0.315 nan 8.190 nan 0.000 0.452 395 R N 0.450 120.833 120.500 -0.194 0.000 2.083 395 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 395 R C 2.286 178.504 176.300 -0.137 0.000 1.137 395 R CA 1.868 57.907 56.100 -0.102 0.000 0.951 395 R CB -0.494 29.819 30.300 0.022 0.000 0.851 395 R HN 0.473 nan 8.270 nan 0.000 0.434 396 A N 0.552 123.290 122.820 -0.136 0.000 1.933 396 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 396 A C 2.337 179.678 177.584 -0.405 0.000 1.175 396 A CA 1.655 53.582 52.037 -0.184 0.000 0.628 396 A CB -0.705 18.251 19.000 -0.073 0.000 0.814 396 A HN 0.570 nan 8.150 nan 0.000 0.444 397 A N -0.151 122.342 122.820 -0.544 0.000 1.898 397 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 397 A C 2.150 179.365 177.584 -0.616 0.000 1.181 397 A CA 1.426 52.824 52.037 -1.066 0.000 0.620 397 A CB -0.578 17.990 19.000 -0.719 0.000 0.819 397 A HN 0.476 nan 8.150 nan 0.000 0.442 398 L N -0.259 120.762 121.223 -0.338 0.000 2.046 398 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 398 L C 2.296 179.055 176.870 -0.185 0.000 1.077 398 L CA 1.317 56.041 54.840 -0.194 0.000 0.747 398 L CB -0.715 41.284 42.059 -0.101 0.000 0.896 398 L HN 0.368 nan 8.230 nan 0.000 0.432 399 N N 0.432 118.989 118.700 -0.238 0.000 2.142 399 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 399 N C 1.881 177.140 175.510 -0.419 0.000 1.023 399 N CA 1.498 54.357 53.050 -0.319 0.000 0.852 399 N CB -0.304 37.880 38.487 -0.505 0.000 0.998 399 N HN 0.282 nan 8.380 nan 0.000 0.424 400 A N 0.261 122.834 122.820 -0.412 0.000 2.067 400 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 400 A C 1.976 179.460 177.584 -0.166 0.000 1.158 400 A CA 1.941 53.803 52.037 -0.292 0.000 0.661 400 A CB -0.587 18.266 19.000 -0.245 0.000 0.801 400 A HN 0.483 nan 8.150 nan 0.000 0.452 401 T N -3.614 110.830 114.554 -0.183 0.000 3.044 401 T HA 0.609 4.959 4.350 -0.000 0.000 0.260 401 T C 0.630 175.308 174.700 -0.035 0.000 1.019 401 T CA 0.369 62.421 62.100 -0.080 0.000 0.921 401 T CB -0.204 68.616 68.868 -0.081 0.000 1.053 401 T HN 0.554 nan 8.240 nan 0.000 0.533 402 A N 1.654 124.458 122.820 -0.028 0.000 2.445 402 A HA 0.387 4.707 4.320 -0.000 0.000 0.242 402 A C -0.015 177.597 177.584 0.046 0.000 1.075 402 A CA -0.385 51.670 52.037 0.030 0.000 0.777 402 A CB 0.044 19.090 19.000 0.077 0.000 1.013 402 A HN 0.435 nan 8.150 nan 0.000 0.493 403 D N 1.690 122.122 120.400 0.053 0.000 2.336 403 D HA 0.156 4.796 4.640 -0.000 0.000 0.249 403 D C -0.427 175.909 176.300 0.060 0.000 1.213 403 D CA 0.186 54.215 54.000 0.048 0.000 0.870 403 D CB 0.926 41.751 40.800 0.042 0.000 1.076 403 D HN 0.551 nan 8.370 nan 0.000 0.483 404 D N 2.577 123.012 120.400 0.058 0.000 2.531 404 D HA 0.012 4.652 4.640 -0.000 0.000 0.239 404 D C -0.322 176.002 176.300 0.040 0.000 1.144 404 D CA 0.474 54.508 54.000 0.057 0.000 0.869 404 D CB 0.565 41.396 40.800 0.052 0.000 1.160 404 D HN 0.289 nan 8.370 nan 0.000 0.484 405 L N 2.358 123.601 121.223 0.034 0.000 2.271 405 L HA 0.434 4.774 4.340 -0.000 0.000 0.265 405 L C 1.177 178.046 176.870 -0.001 0.000 1.013 405 L CA -1.172 53.682 54.840 0.024 0.000 0.820 405 L CB 1.157 43.240 42.059 0.040 0.000 1.352 405 L HN 0.622 nan 8.230 nan 0.000 0.443 406 S N -0.213 115.482 115.700 -0.009 0.000 3.711 406 S HA -0.207 4.263 4.470 -0.000 0.000 0.625 406 S C 0.033 174.613 174.600 -0.033 0.000 2.458 406 S CA 1.015 59.194 58.200 -0.035 0.000 4.059 406 S CB -1.092 62.065 63.200 -0.072 0.000 0.257 406 S HN 1.045 nan 8.310 nan 0.000 0.974 407 V N 1.116 121.001 119.914 -0.049 0.000 3.096 407 V HA 0.692 4.812 4.120 -0.000 0.000 0.306 407 V C 0.873 176.952 176.094 -0.025 0.000 1.088 407 V CA -0.181 62.096 62.300 -0.039 0.000 1.129 407 V CB -0.114 31.680 31.823 -0.049 0.000 1.014 407 V HN 1.732 nan 8.190 nan 0.000 0.486 408 A N 3.112 125.923 122.820 -0.015 0.000 2.540 408 A HA 0.574 4.894 4.320 -0.000 0.000 0.239 408 A C 1.133 178.717 177.584 0.000 0.000 1.061 408 A CA 0.693 52.730 52.037 -0.002 0.000 0.758 408 A CB -1.067 17.934 19.000 0.002 0.000 0.991 408 A HN 2.954 nan 8.150 nan 0.000 0.502 409 G N 1.072 109.883 108.800 0.019 0.000 2.757 409 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.638 409 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.638 409 G C 0.021 174.915 174.900 -0.010 0.000 1.344 409 G CA -0.024 45.093 45.100 0.029 0.000 0.855 409 G HN 1.276 nan 8.290 nan 0.000 0.537 410 R N 0.719 121.188 120.500 -0.051 0.000 2.537 410 R HA 0.448 4.788 4.340 -0.000 0.000 0.280 410 R C 0.188 176.387 176.300 -0.168 0.000 1.058 410 R CA 0.851 56.812 56.100 -0.233 0.000 1.057 410 R CB -0.087 29.895 30.300 -0.531 0.000 0.973 410 R HN 0.783 nan 8.270 nan 0.000 0.438 411 D N 0.805 121.104 120.400 -0.168 0.000 2.552 411 D HA 0.129 4.769 4.640 -0.000 0.000 0.239 411 D C -0.215 176.011 176.300 -0.124 0.000 1.139 411 D CA -0.864 53.060 54.000 -0.127 0.000 0.914 411 D CB 1.129 41.861 40.800 -0.114 0.000 1.461 411 D HN 0.468 nan 8.370 nan 0.000 0.462 412 N N -0.635 118.013 118.700 -0.088 0.000 2.381 412 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 412 N C 0.917 176.404 175.510 -0.038 0.000 1.025 412 N CA 0.726 53.753 53.050 -0.038 0.000 0.888 412 N CB 0.095 38.603 38.487 0.035 0.000 0.965 412 N HN 0.383 nan 8.380 nan 0.000 0.438 413 Q N -0.532 119.171 119.800 -0.161 0.000 2.089 413 Q HA 0.002 4.342 4.340 -0.000 0.000 0.195 413 Q C 1.878 177.786 176.000 -0.154 0.000 0.963 413 Q CA 1.269 56.861 55.803 -0.351 0.000 0.834 413 Q CB 0.093 28.369 28.738 -0.769 0.000 0.906 413 Q HN 0.404 nan 8.270 nan 0.000 0.452 414 T N -4.053 110.439 114.554 -0.103 0.000 3.043 414 T HA 0.532 4.882 4.350 -0.000 0.000 0.272 414 T C 1.038 175.726 174.700 -0.020 0.000 0.990 414 T CA 0.124 62.218 62.100 -0.009 0.000 0.897 414 T CB 0.377 69.248 68.868 0.005 0.000 1.111 414 T HN 0.364 nan 8.240 nan 0.000 0.529 415 G N 1.894 110.643 108.800 -0.085 0.000 2.574 415 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.286 415 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.286 415 G C 0.247 175.016 174.900 -0.219 0.000 1.212 415 G CA 0.522 45.517 45.100 -0.174 0.000 0.979 415 G HN 0.380 nan 8.290 nan 0.000 0.557 416 Y N 2.578 122.884 120.300 0.009 0.000 2.583 416 Y HA 0.394 4.943 4.550 -0.000 0.000 0.293 416 Y C 2.003 177.908 175.900 0.009 0.000 1.157 416 Y CA 1.967 60.069 58.100 0.004 0.000 1.315 416 Y CB -0.096 38.362 38.460 -0.004 0.000 1.021 416 Y HN 1.678 nan 8.280 nan 0.000 0.536 417 G N -0.223 108.653 108.800 0.125 0.000 2.318 417 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.367 417 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.367 417 G C -1.082 173.878 174.900 0.100 0.000 1.260 417 G CA -0.737 44.420 45.100 0.096 0.000 1.055 417 G HN -0.046 nan 8.290 nan 0.000 0.484 418 M N 1.156 120.813 119.600 0.095 0.000 2.188 418 M HA 0.597 5.077 4.480 -0.000 0.000 0.354 418 M C 0.640 176.993 176.300 0.090 0.000 1.342 418 M CA -0.635 54.728 55.300 0.104 0.000 1.117 418 M CB 0.386 33.061 32.600 0.126 0.000 1.670 418 M HN 0.728 nan 8.290 nan 0.000 0.466 419 I N 5.531 126.153 120.570 0.088 0.000 2.815 419 I HA -0.010 4.160 4.170 -0.000 0.000 0.291 419 I C -0.353 175.805 176.117 0.069 0.000 1.209 419 I CA 0.540 61.882 61.300 0.071 0.000 1.431 419 I CB 0.129 38.175 38.000 0.077 0.000 1.351 419 I HN 0.738 nan 8.210 nan 0.000 0.585 420 N N 5.991 124.718 118.700 0.045 0.000 2.576 420 N HA 0.337 5.077 4.740 -0.000 0.000 0.269 420 N C 0.207 175.735 175.510 0.031 0.000 1.058 420 N CA 0.033 53.108 53.050 0.041 0.000 0.860 420 N CB 1.813 40.316 38.487 0.027 0.000 1.249 420 N HN 0.770 nan 8.380 nan 0.000 0.525 421 A N 2.947 125.795 122.820 0.046 0.000 1.883 421 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 421 A C 1.860 179.456 177.584 0.019 0.000 1.186 421 A CA 1.795 53.859 52.037 0.044 0.000 0.624 421 A CB -0.497 18.542 19.000 0.064 0.000 0.822 421 A HN 0.448 nan 8.150 nan 0.000 0.444 422 V N -0.183 119.738 119.914 0.012 0.000 2.343 422 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 422 V C 3.045 179.138 176.094 -0.002 0.000 1.051 422 V CA 2.009 64.304 62.300 -0.009 0.000 1.036 422 V CB -1.287 30.534 31.823 -0.004 0.000 0.654 422 V HN 0.626 nan 8.190 nan 0.000 0.451 423 A N -0.062 122.763 122.820 0.009 0.000 1.898 423 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 423 A C 2.419 180.021 177.584 0.029 0.000 1.181 423 A CA 1.954 54.002 52.037 0.019 0.000 0.620 423 A CB -0.745 18.264 19.000 0.014 0.000 0.819 423 A HN 0.561 nan 8.150 nan 0.000 0.442 424 A N -0.333 122.489 122.820 0.003 0.000 1.902 424 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 424 A C 2.175 179.790 177.584 0.053 0.000 1.181 424 A CA 1.905 53.929 52.037 -0.021 0.000 0.623 424 A CB -0.400 18.576 19.000 -0.041 0.000 0.818 424 A HN 0.384 nan 8.150 nan 0.000 0.443 425 K N 0.117 120.541 120.400 0.040 0.000 2.057 425 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 425 K C 2.118 178.758 176.600 0.067 0.000 1.050 425 K CA 1.377 57.689 56.287 0.042 0.000 0.935 425 K CB -0.439 31.994 32.500 -0.113 0.000 0.715 425 K HN 0.356 nan 8.250 nan 0.000 0.439 426 A N 0.253 123.100 122.820 0.046 0.000 1.972 426 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 426 A C 2.128 179.756 177.584 0.074 0.000 1.169 426 A CA 1.318 53.382 52.037 0.046 0.000 0.635 426 A CB -0.771 18.247 19.000 0.031 0.000 0.810 426 A HN 0.546 nan 8.150 nan 0.000 0.446 427 Y N 0.433 120.706 120.300 -0.045 0.000 2.114 427 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 427 Y C 1.904 177.742 175.900 -0.104 0.000 1.143 427 Y CA 1.996 60.059 58.100 -0.063 0.000 1.135 427 Y CB -0.200 38.224 38.460 -0.060 0.000 0.980 427 Y HN 0.200 nan 8.280 nan 0.000 0.499 428 L N -0.031 121.306 121.223 0.189 0.000 2.217 428 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 428 L C 1.798 178.381 176.870 -0.479 0.000 1.107 428 L CA 0.937 55.699 54.840 -0.130 0.000 0.783 428 L CB -0.524 41.479 42.059 -0.095 0.000 0.919 428 L HN 0.226 nan 8.230 nan 0.000 0.442 429 D N 0.135 120.445 120.400 -0.151 0.000 2.144 429 D HA -0.218 4.422 4.640 -0.000 0.000 0.199 429 D C 2.028 178.286 176.300 -0.069 0.000 0.984 429 D CA 1.086 55.087 54.000 0.001 0.000 0.834 429 D CB 0.157 41.016 40.800 0.099 0.000 0.955 429 D HN 0.359 nan 8.370 nan 0.000 0.465 430 E N -0.161 119.968 120.200 -0.117 0.000 2.047 430 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 430 E C 0.178 176.689 176.600 -0.148 0.000 0.987 430 E CA 0.941 57.265 56.400 -0.126 0.000 0.799 430 E CB 0.318 29.917 29.700 -0.169 0.000 0.752 430 E HN 0.210 nan 8.360 nan 0.000 0.449 431 S N -3.075 112.494 115.700 -0.219 0.000 2.645 431 S HA 0.091 4.561 4.470 -0.000 0.000 0.268 431 S C 0.401 174.879 174.600 -0.204 0.000 1.110 431 S CA -0.465 57.625 58.200 -0.182 0.000 0.823 431 S CB 0.462 63.575 63.200 -0.144 0.000 1.091 431 S HN 0.164 nan 8.310 nan 0.000 0.466 432 c N 1.582 120.113 118.600 -0.116 0.000 2.422 432 c HA 0.081 4.651 4.570 -0.000 0.000 0.286 432 c C 2.441 176.527 174.090 -0.006 0.000 1.412 432 c CA 1.311 57.613 56.329 -0.045 0.000 1.786 432 c CB -1.831 40.682 42.510 0.006 0.000 1.835 432 c HN 0.995 nan 8.230 nan 0.000 0.533 433 T N -2.627 111.866 114.554 -0.100 0.000 3.134 433 T HA 0.484 4.834 4.350 -0.000 0.000 0.260 433 T C 0.932 175.387 174.700 -0.410 0.000 1.027 433 T CA 0.744 62.784 62.100 -0.100 0.000 0.913 433 T CB 0.116 68.944 68.868 -0.067 0.000 1.046 433 T HN 0.887 nan 8.240 nan 0.000 0.553 434 G N 2.695 110.997 108.800 -0.830 0.000 2.645 434 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.239 434 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.239 434 G C -2.754 171.791 174.900 -0.592 0.000 1.331 434 G CA -0.572 43.702 45.100 -1.376 0.000 0.890 434 G HN 0.496 nan 8.290 nan 0.000 0.572 435 P HA 0.312 nan 4.420 nan 0.000 0.269 435 P C 0.694 177.897 177.300 -0.162 0.000 1.215 435 P CA 0.891 63.860 63.100 -0.218 0.000 0.780 435 P CB 0.643 32.257 31.700 -0.143 0.000 0.898 436 T N 0.000 114.488 114.554 -0.109 0.000 3.816 436 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 436 T CA 0.000 62.054 62.100 -0.076 0.000 1.349 436 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 436 T HN 0.000 nan 8.240 nan 0.000 0.658