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 2ggl_1_D DATA FIRST_RESID 3 DATA SEQUENCE RQMILAVGQQ GPIARAETRE QVVGRLLDML TNAASRGVNF IVFPELALTT DATA SEQUENCE FFPRWHFTDE AELDSFYETE MPGPVVRPLF ETAAELGIGF NLGYAELVVE DATA SEQUENCE GGVKRRFNTS ILVDKSGKIV GKYRKIHLPG HKEYEAYRPF QHLEKRYFEP DATA SEQUENCE GDLGFPVYDV DAAKMGMFIC NDRRWPETWR VMGLKGAEII CGGYNTPTHN DATA SEQUENCE PPVPQHDHLT SFHHLLSMQC GSYQNGAWSA AAGKVGMEEG CMLLGHSCIV DATA SEQUENCE APTGEIVALT TTLEDEVITA ALDLDRCREL REHIFNFKAH RQPQHYGLIA DATA SEQUENCE EF 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.272 176.300 -0.046 0.000 0.893 3 R CA 0.000 56.084 56.100 -0.026 0.000 0.921 3 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 4 Q N 0.503 120.273 119.800 -0.051 0.000 2.309 4 Q HA 0.741 5.080 4.340 -0.000 0.000 0.264 4 Q C -0.725 175.217 176.000 -0.095 0.000 1.008 4 Q CA -0.443 55.311 55.803 -0.081 0.000 0.853 4 Q CB 2.131 30.839 28.738 -0.051 0.000 1.314 4 Q HN 0.272 nan 8.270 nan 0.000 0.448 5 M N -0.240 119.272 119.600 -0.146 0.000 2.755 5 M HA 0.618 5.098 4.480 -0.000 0.000 0.273 5 M C -1.297 174.926 176.300 -0.129 0.000 1.278 5 M CA -1.095 54.134 55.300 -0.118 0.000 0.819 5 M CB 1.512 34.041 32.600 -0.119 0.000 1.694 5 M HN 0.260 nan 8.290 nan 0.000 0.460 6 I N 3.036 123.561 120.570 -0.075 0.000 2.328 6 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 6 I C -0.867 175.227 176.117 -0.037 0.000 1.012 6 I CA -0.512 60.751 61.300 -0.063 0.000 1.195 6 I CB 1.107 39.089 38.000 -0.029 0.000 1.350 6 I HN 0.663 nan 8.210 nan 0.000 0.464 7 L N 6.671 127.858 121.223 -0.061 0.000 2.379 7 L HA 0.858 5.198 4.340 -0.000 0.000 0.269 7 L C -0.141 176.745 176.870 0.026 0.000 1.084 7 L CA 0.150 54.991 54.840 0.002 0.000 0.802 7 L CB 1.531 43.564 42.059 -0.043 0.000 1.175 7 L HN 0.696 nan 8.230 nan 0.000 0.448 8 A N 3.521 126.370 122.820 0.049 0.000 2.539 8 A HA 0.765 5.085 4.320 -0.000 0.000 0.296 8 A C -1.645 175.928 177.584 -0.018 0.000 1.073 8 A CA -0.576 51.463 52.037 0.004 0.000 0.700 8 A CB 1.696 20.669 19.000 -0.044 0.000 1.296 8 A HN 0.500 nan 8.150 nan 0.000 0.405 9 V N 0.907 120.813 119.914 -0.012 0.000 2.417 9 V HA 0.644 4.763 4.120 -0.000 0.000 0.291 9 V C 0.709 176.764 176.094 -0.064 0.000 1.024 9 V CA 0.095 62.380 62.300 -0.025 0.000 0.861 9 V CB 1.842 33.710 31.823 0.076 0.000 0.985 9 V HN 1.250 nan 8.190 nan 0.000 0.436 10 G N 3.951 112.657 108.800 -0.156 0.000 2.800 10 G HA2 0.382 4.341 3.960 -0.000 0.000 0.340 10 G HA3 0.382 4.341 3.960 -0.000 0.000 0.340 10 G C -0.259 174.733 174.900 0.153 0.000 1.089 10 G CA -0.315 44.789 45.100 0.007 0.000 1.144 10 G HN 0.677 nan 8.290 nan 0.000 0.461 11 Q N 1.889 121.746 119.800 0.094 0.000 2.352 11 Q HA 0.197 4.537 4.340 -0.000 0.000 0.260 11 Q C -0.304 175.735 176.000 0.065 0.000 0.976 11 Q CA 0.114 55.954 55.803 0.062 0.000 0.881 11 Q CB 0.842 29.608 28.738 0.047 0.000 1.235 11 Q HN 0.531 nan 8.270 nan 0.000 0.419 12 Q N 1.745 121.560 119.800 0.026 0.000 2.274 12 Q HA 0.472 4.812 4.340 -0.000 0.000 0.260 12 Q C -0.081 175.917 176.000 -0.005 0.000 0.974 12 Q CA -0.554 55.259 55.803 0.016 0.000 0.876 12 Q CB 1.904 30.646 28.738 0.007 0.000 1.297 12 Q HN 0.873 nan 8.270 nan 0.000 0.446 13 G N 2.236 111.040 108.800 0.007 0.000 2.553 13 G HA2 0.284 4.244 3.960 -0.000 0.000 0.278 13 G HA3 0.284 4.244 3.960 -0.000 0.000 0.278 13 G C -2.436 172.468 174.900 0.007 0.000 1.349 13 G CA -1.012 44.091 45.100 0.005 0.000 1.037 13 G HN 0.347 nan 8.290 nan 0.000 0.508 14 P HA 0.118 nan 4.420 nan 0.000 0.266 14 P C -0.455 176.874 177.300 0.048 0.000 1.193 14 P CA 0.442 63.560 63.100 0.030 0.000 0.770 14 P CB 0.553 32.277 31.700 0.040 0.000 0.836 15 I N 1.568 122.181 120.570 0.071 0.000 2.362 15 I HA 0.424 4.593 4.170 -0.000 0.000 0.289 15 I C 0.520 176.721 176.117 0.140 0.000 0.994 15 I CA -0.979 60.379 61.300 0.096 0.000 1.158 15 I CB 1.644 39.707 38.000 0.106 0.000 1.315 15 I HN 0.313 nan 8.210 nan 0.000 0.451 16 A N 6.216 129.115 122.820 0.132 0.000 2.386 16 A HA 0.273 4.593 4.320 -0.000 0.000 0.248 16 A C 1.427 179.142 177.584 0.218 0.000 1.082 16 A CA -0.254 51.881 52.037 0.164 0.000 0.789 16 A CB 0.498 19.569 19.000 0.118 0.000 1.025 16 A HN 0.841 nan 8.150 nan 0.000 0.490 17 R N 1.122 121.792 120.500 0.282 0.000 2.127 17 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 17 R C 1.635 178.043 176.300 0.179 0.000 1.134 17 R CA 1.863 58.155 56.100 0.321 0.000 0.975 17 R CB -0.452 30.020 30.300 0.286 0.000 0.865 17 R HN 0.815 nan 8.270 nan 0.000 0.447 18 A N 0.104 122.995 122.820 0.119 0.000 2.238 18 A HA 0.031 4.351 4.320 -0.000 0.000 0.210 18 A C 0.608 178.222 177.584 0.050 0.000 1.179 18 A CA -0.262 51.813 52.037 0.062 0.000 0.827 18 A CB 0.024 19.051 19.000 0.046 0.000 0.856 18 A HN 0.335 nan 8.150 nan 0.000 0.488 19 E N 1.211 121.454 120.200 0.071 0.000 2.316 19 E HA 0.286 4.636 4.350 -0.000 0.000 0.275 19 E C 0.331 176.953 176.600 0.036 0.000 1.029 19 E CA -0.086 56.344 56.400 0.051 0.000 0.871 19 E CB 0.561 30.299 29.700 0.063 0.000 1.022 19 E HN 0.328 nan 8.360 nan 0.000 0.418 20 T N 2.565 117.126 114.554 0.011 0.000 2.849 20 T HA 0.166 4.515 4.350 -0.000 0.000 0.284 20 T C 1.120 175.816 174.700 -0.006 0.000 1.004 20 T CA -0.282 61.814 62.100 -0.007 0.000 1.021 20 T CB 1.139 69.995 68.868 -0.020 0.000 1.013 20 T HN 0.649 nan 8.240 nan 0.000 0.527 21 R N 0.237 120.727 120.500 -0.017 0.000 2.152 21 R HA -0.072 4.267 4.340 -0.000 0.000 0.232 21 R C 2.388 178.672 176.300 -0.028 0.000 1.117 21 R CA 1.659 57.749 56.100 -0.017 0.000 0.981 21 R CB -0.135 30.149 30.300 -0.026 0.000 0.870 21 R HN 0.845 nan 8.270 nan 0.000 0.451 22 E N 0.586 120.768 120.200 -0.030 0.000 2.072 22 E HA -0.206 4.143 4.350 -0.000 0.000 0.190 22 E C 1.728 178.308 176.600 -0.034 0.000 0.982 22 E CA 0.998 57.378 56.400 -0.034 0.000 0.803 22 E CB 0.199 29.880 29.700 -0.031 0.000 0.755 22 E HN 0.406 nan 8.360 nan 0.000 0.453 23 Q N -0.005 119.781 119.800 -0.024 0.000 2.084 23 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 23 Q C 2.351 178.333 176.000 -0.030 0.000 0.978 23 Q CA 1.527 57.318 55.803 -0.021 0.000 0.844 23 Q CB 0.059 28.792 28.738 -0.008 0.000 0.898 23 Q HN 0.196 nan 8.270 nan 0.000 0.426 24 V N 0.423 120.320 119.914 -0.028 0.000 2.343 24 V HA -0.229 3.890 4.120 -0.000 0.000 0.247 24 V C 2.228 178.267 176.094 -0.093 0.000 1.051 24 V CA 1.425 63.698 62.300 -0.046 0.000 1.036 24 V CB -0.443 31.365 31.823 -0.024 0.000 0.654 24 V HN 0.194 nan 8.190 nan 0.000 0.451 25 V N 0.878 120.739 119.914 -0.088 0.000 2.407 25 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 25 V C 2.574 178.595 176.094 -0.121 0.000 1.055 25 V CA 2.102 64.329 62.300 -0.122 0.000 1.049 25 V CB -1.273 30.497 31.823 -0.087 0.000 0.662 25 V HN 0.618 nan 8.190 nan 0.000 0.455 26 G N -0.313 108.438 108.800 -0.082 0.000 2.402 26 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 26 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 26 G C 1.735 176.592 174.900 -0.071 0.000 1.162 26 G CA 0.567 45.627 45.100 -0.066 0.000 0.777 26 G HN 0.416 nan 8.290 nan 0.000 0.539 27 R N -0.172 120.285 120.500 -0.071 0.000 2.080 27 R HA 0.022 4.362 4.340 -0.000 0.000 0.236 27 R C 2.635 178.876 176.300 -0.099 0.000 1.137 27 R CA 1.175 57.237 56.100 -0.064 0.000 0.943 27 R CB -0.632 29.637 30.300 -0.051 0.000 0.846 27 R HN 0.296 nan 8.270 nan 0.000 0.431 28 L N 0.679 121.788 121.223 -0.191 0.000 2.081 28 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 28 L C 2.366 179.103 176.870 -0.222 0.000 1.080 28 L CA 1.227 55.856 54.840 -0.351 0.000 0.754 28 L CB -0.352 41.334 42.059 -0.621 0.000 0.893 28 L HN 0.243 nan 8.230 nan 0.000 0.433 29 L N -0.821 120.303 121.223 -0.165 0.000 2.141 29 L HA -0.198 4.141 4.340 -0.000 0.000 0.209 29 L C 2.058 178.897 176.870 -0.051 0.000 1.094 29 L CA 0.809 55.583 54.840 -0.109 0.000 0.763 29 L CB -0.468 41.535 42.059 -0.094 0.000 0.908 29 L HN 0.275 nan 8.230 nan 0.000 0.437 30 D N -0.313 120.064 120.400 -0.038 0.000 2.144 30 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 30 D C 2.316 178.625 176.300 0.014 0.000 0.978 30 D CA 1.197 55.191 54.000 -0.011 0.000 0.833 30 D CB -0.004 40.790 40.800 -0.009 0.000 0.961 30 D HN 0.299 nan 8.370 nan 0.000 0.470 31 M N -0.119 119.505 119.600 0.040 0.000 2.200 31 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 31 M C 2.250 178.603 176.300 0.087 0.000 1.066 31 M CA 0.688 56.044 55.300 0.093 0.000 1.127 31 M CB -0.116 32.604 32.600 0.200 0.000 1.379 31 M HN 0.008 nan 8.290 nan 0.000 0.420 32 L N -0.214 121.062 121.223 0.089 0.000 2.012 32 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 32 L C 2.535 179.410 176.870 0.007 0.000 1.073 32 L CA 1.535 56.399 54.840 0.040 0.000 0.748 32 L CB -0.794 41.262 42.059 -0.005 0.000 0.891 32 L HN 0.331 nan 8.230 nan 0.000 0.431 33 T N -0.973 113.583 114.554 0.002 0.000 2.708 33 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 33 T C 1.756 176.458 174.700 0.004 0.000 1.037 33 T CA 1.471 63.570 62.100 -0.001 0.000 1.146 33 T CB -0.417 68.449 68.868 -0.004 0.000 0.865 33 T HN 0.346 nan 8.240 nan 0.000 0.435 34 N N 1.297 120.003 118.700 0.010 0.000 2.060 34 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 34 N C 2.085 177.600 175.510 0.008 0.000 1.028 34 N CA 1.817 54.874 53.050 0.012 0.000 0.861 34 N CB -0.257 38.242 38.487 0.021 0.000 1.029 34 N HN 0.413 nan 8.380 nan 0.000 0.428 35 A N 0.865 123.688 122.820 0.005 0.000 1.877 35 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 35 A C 2.472 180.052 177.584 -0.006 0.000 1.186 35 A CA 2.072 54.105 52.037 -0.008 0.000 0.620 35 A CB -1.057 17.925 19.000 -0.029 0.000 0.822 35 A HN 0.482 nan 8.150 nan 0.000 0.443 36 A N -0.281 122.536 122.820 -0.005 0.000 1.883 36 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 36 A C 2.475 180.060 177.584 0.001 0.000 1.186 36 A CA 2.501 54.537 52.037 -0.003 0.000 0.624 36 A CB -1.253 17.746 19.000 -0.002 0.000 0.822 36 A HN 0.956 nan 8.150 nan 0.000 0.444 37 S N -0.356 115.345 115.700 0.002 0.000 2.428 37 S HA -0.240 4.230 4.470 -0.000 0.000 0.240 37 S C 1.483 176.086 174.600 0.005 0.000 1.036 37 S CA 1.906 60.108 58.200 0.004 0.000 1.009 37 S CB -0.305 62.898 63.200 0.006 0.000 0.803 37 S HN 0.625 nan 8.310 nan 0.000 0.486 38 R N -0.421 120.081 120.500 0.004 0.000 2.662 38 R HA 0.344 4.684 4.340 -0.000 0.000 0.396 38 R C 1.010 177.311 176.300 0.002 0.000 1.096 38 R CA 0.333 56.436 56.100 0.005 0.000 1.081 38 R CB 0.366 30.670 30.300 0.007 0.000 1.382 38 R HN 0.364 nan 8.270 nan 0.000 0.580 39 G N 0.911 109.711 108.800 0.001 0.000 2.221 39 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 39 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 39 G C 0.102 175.001 174.900 -0.002 0.000 1.041 39 G CA 0.108 45.208 45.100 -0.000 0.000 0.807 39 G HN 0.184 nan 8.290 nan 0.000 0.502 40 V N -0.140 119.773 119.914 -0.002 0.000 2.498 40 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 40 V C 1.242 177.343 176.094 0.011 0.000 1.048 40 V CA 0.517 62.817 62.300 -0.000 0.000 0.967 40 V CB 1.405 33.220 31.823 -0.013 0.000 0.988 40 V HN 0.497 nan 8.190 nan 0.000 0.473 41 N N 3.117 121.838 118.700 0.034 0.000 2.322 41 N HA 0.251 4.991 4.740 -0.000 0.000 0.181 41 N C -0.526 175.071 175.510 0.145 0.000 1.088 41 N CA 0.158 53.248 53.050 0.066 0.000 0.885 41 N CB 0.603 39.123 38.487 0.056 0.000 1.013 41 N HN 0.564 nan 8.380 nan 0.000 0.472 42 F N 0.903 120.825 119.950 -0.047 0.000 2.622 42 F HA 0.486 5.013 4.527 -0.001 0.000 0.318 42 F C -1.896 173.853 175.800 -0.085 0.000 1.135 42 F CA -1.030 56.941 58.000 -0.048 0.000 1.015 42 F CB 1.507 40.474 39.000 -0.056 0.000 1.275 42 F HN -0.280 nan 8.300 nan 0.000 0.457 43 I N 6.231 126.521 120.570 -0.466 0.000 2.545 43 I HA 0.668 4.837 4.170 -0.000 0.000 0.292 43 I C -1.533 174.253 176.117 -0.552 0.000 1.040 43 I CA -0.894 60.151 61.300 -0.426 0.000 1.068 43 I CB 1.802 39.454 38.000 -0.579 0.000 1.251 43 I HN 0.357 nan 8.210 nan 0.000 0.424 44 V N 7.468 127.186 119.914 -0.328 0.000 2.394 44 V HA 0.415 4.535 4.120 -0.000 0.000 0.282 44 V C -0.472 175.426 176.094 -0.327 0.000 1.031 44 V CA -0.291 61.906 62.300 -0.172 0.000 0.881 44 V CB 1.151 33.007 31.823 0.055 0.000 0.982 44 V HN 0.433 nan 8.190 nan 0.000 0.451 45 F N 5.145 125.124 119.950 0.049 0.000 2.497 45 F HA 0.651 5.177 4.527 -0.000 0.000 0.331 45 F C -1.980 173.833 175.800 0.023 0.000 1.060 45 F CA -2.625 55.388 58.000 0.021 0.000 0.989 45 F CB 1.105 40.109 39.000 0.007 0.000 1.245 45 F HN 0.301 nan 8.300 nan 0.000 0.486 46 P HA 0.021 nan 4.420 nan 0.000 0.273 46 P C -0.767 176.589 177.300 0.092 0.000 1.250 46 P CA -0.510 62.636 63.100 0.077 0.000 0.793 46 P CB 0.403 32.103 31.700 0.000 0.000 1.011 47 E N 1.650 121.882 120.200 0.052 0.000 2.415 47 E HA 0.022 4.371 4.350 -0.000 0.000 0.263 47 E C -0.160 176.496 176.600 0.093 0.000 0.995 47 E CA -0.135 56.306 56.400 0.068 0.000 0.915 47 E CB -0.335 29.410 29.700 0.076 0.000 0.951 47 E HN 0.347 nan 8.360 nan 0.000 0.449 48 L N 3.058 124.349 121.223 0.113 0.000 3.713 48 L HA -0.301 4.039 4.340 -0.000 0.000 0.499 48 L C 0.880 177.857 176.870 0.179 0.000 1.281 48 L CA 0.349 55.292 54.840 0.171 0.000 0.796 48 L CB -1.461 40.723 42.059 0.208 0.000 1.535 48 L HN 0.673 nan 8.230 nan 0.000 0.851 49 A N 0.058 122.974 122.820 0.161 0.000 2.206 49 A HA 0.188 4.508 4.320 -0.000 0.000 0.211 49 A C 1.724 179.354 177.584 0.078 0.000 1.158 49 A CA 1.049 53.145 52.037 0.099 0.000 0.761 49 A CB -0.014 19.029 19.000 0.073 0.000 0.801 49 A HN 0.617 nan 8.150 nan 0.000 0.473 50 L N -0.376 120.924 121.223 0.129 0.000 2.664 50 L HA 0.160 4.499 4.340 -0.000 0.000 0.233 50 L C 0.703 177.655 176.870 0.136 0.000 1.113 50 L CA 0.606 55.506 54.840 0.100 0.000 0.896 50 L CB 0.294 42.413 42.059 0.101 0.000 1.163 50 L HN 0.468 nan 8.230 nan 0.000 0.497 51 T N -5.664 109.014 114.554 0.206 0.000 2.864 51 T HA 0.274 4.624 4.350 -0.000 0.000 0.299 51 T C -0.146 174.738 174.700 0.307 0.000 1.166 51 T CA -0.536 61.742 62.100 0.297 0.000 1.007 51 T CB 2.029 71.161 68.868 0.440 0.000 1.219 51 T HN -0.176 nan 8.240 nan 0.000 0.506 52 T N 0.249 115.022 114.554 0.365 0.000 2.795 52 T HA 0.252 4.602 4.350 -0.000 0.000 0.314 52 T C -0.404 174.462 174.700 0.276 0.000 1.069 52 T CA -0.362 61.926 62.100 0.313 0.000 1.071 52 T CB -0.319 68.798 68.868 0.414 0.000 0.988 52 T HN 0.503 nan 8.240 nan 0.000 0.543 53 F N 5.825 125.739 119.950 -0.059 0.000 2.652 53 F HA 0.247 4.774 4.527 0.000 0.000 0.352 53 F C 0.817 176.338 175.800 -0.465 0.000 1.259 53 F CA -1.767 56.081 58.000 -0.253 0.000 1.249 53 F CB -1.066 37.755 39.000 -0.297 0.000 1.628 53 F HN 0.632 nan 8.300 nan 0.000 0.654 54 F N 2.730 122.313 119.950 -0.611 0.000 2.250 54 F HA 0.033 4.560 4.527 -0.000 0.000 0.301 54 F C -1.184 174.342 175.800 -0.456 0.000 1.077 54 F CA 0.033 57.667 58.000 -0.610 0.000 1.348 54 F CB -2.592 35.721 39.000 -1.146 0.000 1.040 54 F HN 0.177 nan 8.300 nan 0.000 0.509 55 P HA -0.168 nan 4.420 nan 0.000 0.234 55 P C 1.040 178.046 177.300 -0.489 0.000 1.162 55 P CA 1.491 64.188 63.100 -0.672 0.000 0.759 55 P CB -0.366 30.668 31.700 -1.110 0.000 0.813 56 R N -1.970 118.139 120.500 -0.653 0.000 2.236 56 R HA -0.018 4.322 4.340 -0.000 0.000 0.208 56 R C 0.386 176.483 176.300 -0.339 0.000 1.036 56 R CA 0.433 56.229 56.100 -0.505 0.000 1.001 56 R CB -0.202 29.685 30.300 -0.689 0.000 0.896 56 R HN 0.096 nan 8.270 nan 0.000 0.464 57 W N 0.933 122.250 121.300 0.028 0.000 2.578 57 W HA 0.318 4.977 4.660 -0.000 0.000 0.346 57 W C -0.182 176.360 176.519 0.038 0.000 1.075 57 W CA -1.170 56.142 57.345 -0.055 0.000 1.233 57 W CB 0.403 29.631 29.460 -0.387 0.000 1.358 57 W HN 0.013 nan 8.180 nan 0.000 0.574 58 H N 1.828 121.040 119.070 0.236 0.000 2.668 58 H HA 0.252 4.808 4.556 -0.000 0.000 0.303 58 H C -1.384 173.968 175.328 0.041 0.000 1.074 58 H CA 0.028 56.233 56.048 0.262 0.000 1.406 58 H CB 0.315 30.281 29.762 0.340 0.000 1.442 58 H HN 0.131 nan 8.280 nan 0.000 0.482 59 F N 2.576 122.509 119.950 -0.028 0.000 2.421 59 F HA 0.115 4.641 4.527 -0.000 0.000 0.337 59 F C 1.630 177.323 175.800 -0.177 0.000 1.105 59 F CA -0.323 57.656 58.000 -0.036 0.000 1.049 59 F CB 2.168 41.167 39.000 -0.001 0.000 1.139 59 F HN 0.563 nan 8.300 nan 0.000 0.479 60 T N -3.054 111.568 114.554 0.113 0.000 3.026 60 T HA 0.035 4.385 4.350 -0.000 0.000 0.245 60 T C 0.366 175.114 174.700 0.079 0.000 1.004 60 T CA -0.059 62.088 62.100 0.079 0.000 1.069 60 T CB -0.100 68.826 68.868 0.096 0.000 1.005 60 T HN 0.435 nan 8.240 nan 0.000 0.472 61 D N 1.685 122.144 120.400 0.098 0.000 2.390 61 D HA 0.111 4.751 4.640 -0.000 0.000 0.249 61 D C 0.784 177.103 176.300 0.031 0.000 1.144 61 D CA 0.080 54.115 54.000 0.058 0.000 0.880 61 D CB 1.581 42.417 40.800 0.060 0.000 1.182 61 D HN 0.432 nan 8.370 nan 0.000 0.451 62 E N 2.576 122.764 120.200 -0.019 0.000 2.086 62 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 62 E C 1.806 178.335 176.600 -0.119 0.000 0.975 62 E CA 0.534 56.890 56.400 -0.074 0.000 0.813 62 E CB 0.070 29.726 29.700 -0.073 0.000 0.768 62 E HN 0.616 nan 8.360 nan 0.000 0.457 63 A N 1.626 124.389 122.820 -0.095 0.000 1.978 63 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 63 A C 1.935 179.432 177.584 -0.147 0.000 1.170 63 A CA 1.996 53.965 52.037 -0.115 0.000 0.636 63 A CB -0.647 18.301 19.000 -0.087 0.000 0.810 63 A HN 0.496 nan 8.150 nan 0.000 0.448 64 E N -0.629 119.497 120.200 -0.124 0.000 2.170 64 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 64 E C 1.778 178.215 176.600 -0.272 0.000 0.981 64 E CA 0.900 57.209 56.400 -0.153 0.000 0.830 64 E CB -0.391 29.303 29.700 -0.011 0.000 0.775 64 E HN 0.384 nan 8.360 nan 0.000 0.470 65 L N 1.669 122.681 121.223 -0.352 0.000 2.083 65 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 65 L C 1.279 177.978 176.870 -0.286 0.000 1.083 65 L CA 2.009 56.503 54.840 -0.577 0.000 0.752 65 L CB -0.338 41.405 42.059 -0.527 0.000 0.899 65 L HN 0.021 nan 8.230 nan 0.000 0.433 66 D N -0.912 119.333 120.400 -0.259 0.000 2.224 66 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 66 D C 2.454 178.691 176.300 -0.105 0.000 0.965 66 D CA 1.230 55.099 54.000 -0.218 0.000 0.852 66 D CB -0.111 40.547 40.800 -0.237 0.000 0.947 66 D HN 0.577 nan 8.370 nan 0.000 0.494 67 S N 0.077 115.627 115.700 -0.251 0.000 2.383 67 S HA -0.202 4.267 4.470 -0.000 0.000 0.229 67 S C 1.817 176.178 174.600 -0.398 0.000 1.030 67 S CA 0.725 58.706 58.200 -0.366 0.000 1.002 67 S CB -0.960 61.911 63.200 -0.549 0.000 0.829 67 S HN 0.223 nan 8.310 nan 0.000 0.467 68 F N 0.720 120.449 119.950 -0.370 0.000 2.771 68 F HA 0.302 4.829 4.527 -0.000 0.000 0.299 68 F C 0.520 176.052 175.800 -0.446 0.000 1.177 68 F CA -0.260 57.389 58.000 -0.585 0.000 1.450 68 F CB -0.429 37.693 39.000 -1.463 0.000 1.114 68 F HN 0.142 nan 8.300 nan 0.000 0.587 69 Y N 0.294 120.512 120.300 -0.136 0.000 2.453 69 Y HA 0.384 4.934 4.550 -0.000 0.000 0.326 69 Y C 0.493 176.419 175.900 0.043 0.000 1.186 69 Y CA -1.638 56.471 58.100 0.015 0.000 1.200 69 Y CB 0.591 39.047 38.460 -0.005 0.000 1.247 69 Y HN -0.188 nan 8.280 nan 0.000 0.482 70 E N 0.187 120.559 120.200 0.287 0.000 2.216 70 E HA 0.221 4.571 4.350 -0.000 0.000 0.279 70 E C 0.335 177.039 176.600 0.173 0.000 0.997 70 E CA -0.156 56.349 56.400 0.174 0.000 0.817 70 E CB 1.395 31.168 29.700 0.120 0.000 1.096 70 E HN 0.764 nan 8.360 nan 0.000 0.393 71 T N -1.416 113.184 114.554 0.077 0.000 3.001 71 T HA 0.120 4.470 4.350 -0.000 0.000 0.251 71 T C 0.363 175.083 174.700 0.034 0.000 1.040 71 T CA -0.076 62.059 62.100 0.059 0.000 0.985 71 T CB 0.222 69.100 68.868 0.017 0.000 1.011 71 T HN 0.532 nan 8.240 nan 0.000 0.509 72 E N 0.231 120.430 120.200 -0.002 0.000 2.412 72 E HA 0.634 4.984 4.350 -0.000 0.000 0.279 72 E C -1.665 174.861 176.600 -0.123 0.000 0.984 72 E CA -1.313 55.061 56.400 -0.044 0.000 0.788 72 E CB 1.617 31.278 29.700 -0.065 0.000 1.277 72 E HN 0.056 nan 8.360 nan 0.000 0.455 73 M N 2.036 121.536 119.600 -0.167 0.000 2.090 73 M HA 0.416 4.896 4.480 -0.000 0.000 0.277 73 M C -2.938 173.135 176.300 -0.378 0.000 0.935 73 M CA -1.879 53.242 55.300 -0.298 0.000 0.966 73 M CB 1.468 33.879 32.600 -0.314 0.000 1.635 73 M HN 0.409 nan 8.290 nan 0.000 0.446 74 P HA 0.644 nan 4.420 nan 0.000 0.284 74 P C -0.102 177.027 177.300 -0.284 0.000 1.258 74 P CA -0.391 62.390 63.100 -0.532 0.000 0.824 74 P CB 1.018 32.231 31.700 -0.812 0.000 1.038 75 G N 1.399 110.079 108.800 -0.201 0.000 2.528 75 G HA2 0.325 4.285 3.960 -0.000 0.000 0.289 75 G HA3 0.325 4.285 3.960 -0.000 0.000 0.289 75 G C -1.793 173.038 174.900 -0.115 0.000 1.192 75 G CA -1.379 43.642 45.100 -0.131 0.000 0.921 75 G HN 0.245 nan 8.290 nan 0.000 0.512 76 P HA -0.139 nan 4.420 nan 0.000 0.217 76 P C 2.005 179.271 177.300 -0.057 0.000 1.151 76 P CA 0.968 64.028 63.100 -0.068 0.000 0.849 76 P CB 0.058 31.725 31.700 -0.056 0.000 0.787 77 V N -1.310 118.571 119.914 -0.056 0.000 2.515 77 V HA -0.141 3.978 4.120 -0.000 0.000 0.250 77 V C 2.204 178.276 176.094 -0.037 0.000 1.058 77 V CA 1.636 63.909 62.300 -0.045 0.000 1.064 77 V CB -1.082 30.713 31.823 -0.047 0.000 0.675 77 V HN -0.002 nan 8.190 nan 0.000 0.461 78 V N -0.497 119.394 119.914 -0.039 0.000 3.471 78 V HA 0.074 4.194 4.120 -0.000 0.000 0.258 78 V C 2.416 178.554 176.094 0.075 0.000 1.192 78 V CA 0.741 63.047 62.300 0.009 0.000 1.116 78 V CB -0.277 31.548 31.823 0.003 0.000 0.792 78 V HN 0.407 nan 8.190 nan 0.000 0.459 79 R N 1.788 122.280 120.500 -0.015 0.000 2.103 79 R HA -0.145 4.194 4.340 -0.000 0.000 0.242 79 R C -0.417 175.939 176.300 0.094 0.000 1.142 79 R CA 2.199 58.299 56.100 -0.000 0.000 0.960 79 R CB -1.593 28.674 30.300 -0.055 0.000 0.858 79 R HN 0.385 nan 8.270 nan 0.000 0.439 80 P HA -0.141 nan 4.420 nan 0.000 0.218 80 P C 1.123 178.436 177.300 0.022 0.000 1.148 80 P CA 0.967 64.082 63.100 0.025 0.000 0.822 80 P CB -0.081 31.613 31.700 -0.009 0.000 0.784 81 L N -2.503 118.736 121.223 0.027 0.000 2.156 81 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 81 L C 2.021 178.819 176.870 -0.120 0.000 1.095 81 L CA 1.662 56.434 54.840 -0.113 0.000 0.770 81 L CB -0.894 41.030 42.059 -0.225 0.000 0.914 81 L HN -0.206 nan 8.230 nan 0.000 0.439 82 F N 0.329 120.256 119.950 -0.039 0.000 2.163 82 F HA -0.070 4.457 4.527 -0.000 0.000 0.297 82 F C 2.442 178.284 175.800 0.070 0.000 1.094 82 F CA 1.514 59.577 58.000 0.106 0.000 1.290 82 F CB -0.361 38.708 39.000 0.116 0.000 1.017 82 F HN 0.131 nan 8.300 nan 0.000 0.483 83 E N -0.611 119.709 120.200 0.202 0.000 2.046 83 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 83 E C 2.132 178.768 176.600 0.060 0.000 0.982 83 E CA 1.755 58.222 56.400 0.111 0.000 0.800 83 E CB -0.261 29.482 29.700 0.073 0.000 0.756 83 E HN 0.256 nan 8.360 nan 0.000 0.449 84 T N 0.941 115.509 114.554 0.023 0.000 2.708 84 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 84 T C 2.011 176.706 174.700 -0.010 0.000 1.037 84 T CA 1.281 63.377 62.100 -0.007 0.000 1.146 84 T CB -0.293 68.551 68.868 -0.039 0.000 0.865 84 T HN 0.236 nan 8.240 nan 0.000 0.435 85 A N 1.613 124.414 122.820 -0.032 0.000 1.877 85 A HA 0.135 4.455 4.320 -0.000 0.000 0.216 85 A C 2.691 180.306 177.584 0.052 0.000 1.186 85 A CA 1.936 53.968 52.037 -0.009 0.000 0.620 85 A CB -1.263 17.716 19.000 -0.036 0.000 0.822 85 A HN 0.506 nan 8.150 nan 0.000 0.443 86 A N -0.289 122.581 122.820 0.084 0.000 1.892 86 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 86 A C 2.059 179.673 177.584 0.051 0.000 1.188 86 A CA 2.073 54.158 52.037 0.080 0.000 0.631 86 A CB -0.676 18.385 19.000 0.102 0.000 0.822 86 A HN 0.697 nan 8.150 nan 0.000 0.447 87 E N -0.433 119.792 120.200 0.041 0.000 2.110 87 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 87 E C 1.681 178.293 176.600 0.020 0.000 0.988 87 E CA 0.995 57.411 56.400 0.027 0.000 0.804 87 E CB -0.171 29.541 29.700 0.020 0.000 0.745 87 E HN 0.634 nan 8.360 nan 0.000 0.458 88 L N -0.459 120.774 121.223 0.017 0.000 2.554 88 L HA 0.137 4.476 4.340 -0.000 0.000 0.226 88 L C 1.336 178.216 176.870 0.017 0.000 1.137 88 L CA 0.405 55.252 54.840 0.011 0.000 0.863 88 L CB 0.104 42.164 42.059 0.001 0.000 0.985 88 L HN 0.408 nan 8.230 nan 0.000 0.451 89 G N 1.190 110.006 108.800 0.026 0.000 2.198 89 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 89 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 89 G C 0.093 175.014 174.900 0.035 0.000 1.025 89 G CA 0.025 45.144 45.100 0.031 0.000 0.769 89 G HN 0.330 nan 8.290 nan 0.000 0.507 90 I N 1.044 121.635 120.570 0.034 0.000 2.362 90 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 90 I C 1.158 177.296 176.117 0.035 0.000 0.994 90 I CA -0.529 60.785 61.300 0.023 0.000 1.158 90 I CB 1.622 39.615 38.000 -0.010 0.000 1.315 90 I HN 0.144 nan 8.210 nan 0.000 0.451 91 G N 5.433 114.230 108.800 -0.005 0.000 2.599 91 G HA2 0.596 4.556 3.960 -0.000 0.000 0.264 91 G HA3 0.596 4.556 3.960 -0.000 0.000 0.264 91 G C -0.925 173.549 174.900 -0.711 0.000 1.200 91 G CA -0.120 44.883 45.100 -0.162 0.000 0.896 91 G HN 0.595 nan 8.290 nan 0.000 0.536 92 F N -1.670 117.672 119.950 -1.014 0.000 2.713 92 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 92 F C -1.186 174.321 175.800 -0.488 0.000 1.141 92 F CA -1.782 55.566 58.000 -1.087 0.000 0.939 92 F CB 1.748 40.464 39.000 -0.473 0.000 1.325 92 F HN 0.399 nan 8.300 nan 0.000 0.453 93 N N 2.200 120.859 118.700 -0.068 0.000 2.476 93 N HA 0.458 5.198 4.740 -0.000 0.000 0.257 93 N C -2.137 173.561 175.510 0.313 0.000 0.970 93 N CA -0.283 52.864 53.050 0.161 0.000 0.938 93 N CB 1.552 40.179 38.487 0.234 0.000 1.144 93 N HN 0.875 nan 8.380 nan 0.000 0.500 94 L N 2.860 124.302 121.223 0.365 0.000 2.322 94 L HA 0.788 5.128 4.340 -0.000 0.000 0.281 94 L C 0.228 177.320 176.870 0.370 0.000 1.014 94 L CA -0.468 54.631 54.840 0.431 0.000 0.815 94 L CB 1.619 43.974 42.059 0.494 0.000 1.247 94 L HN 0.546 nan 8.230 nan 0.000 0.421 95 G N 3.512 112.495 108.800 0.304 0.000 2.389 95 G HA2 0.592 4.552 3.960 -0.000 0.000 0.328 95 G HA3 0.592 4.552 3.960 -0.000 0.000 0.328 95 G C -1.758 173.334 174.900 0.321 0.000 1.133 95 G CA -0.257 44.977 45.100 0.224 0.000 0.891 95 G HN 0.768 nan 8.290 nan 0.000 0.485 96 Y N -1.358 119.004 120.300 0.104 0.000 2.677 96 Y HA 0.736 5.286 4.550 -0.000 0.000 0.334 96 Y C -0.251 175.721 175.900 0.120 0.000 1.196 96 Y CA -1.899 56.271 58.100 0.117 0.000 1.059 96 Y CB 0.886 39.421 38.460 0.125 0.000 1.315 96 Y HN 0.841 nan 8.280 nan 0.000 0.455 97 A N 1.583 124.542 122.820 0.231 0.000 2.354 97 A HA 0.430 4.749 4.320 -0.000 0.000 0.281 97 A C -0.302 177.492 177.584 0.350 0.000 1.174 97 A CA -0.329 51.821 52.037 0.188 0.000 0.828 97 A CB 0.067 19.044 19.000 -0.039 0.000 1.099 97 A HN 0.695 nan 8.150 nan 0.000 0.516 98 E N 2.512 122.932 120.200 0.367 0.000 2.151 98 E HA 0.465 4.815 4.350 -0.000 0.000 0.275 98 E C -1.701 175.219 176.600 0.533 0.000 0.936 98 E CA -0.684 55.994 56.400 0.463 0.000 0.777 98 E CB 1.036 30.915 29.700 0.297 0.000 1.108 98 E HN 0.525 nan 8.360 nan 0.000 0.401 99 L N 6.356 127.822 121.223 0.406 0.000 2.316 99 L HA 0.472 4.812 4.340 -0.000 0.000 0.280 99 L C -1.656 175.293 176.870 0.131 0.000 1.006 99 L CA -0.713 54.234 54.840 0.179 0.000 0.836 99 L CB 1.397 43.466 42.059 0.017 0.000 1.221 99 L HN 0.387 nan 8.230 nan 0.000 0.418 100 V N 6.193 126.177 119.914 0.117 0.000 2.656 100 V HA 0.626 4.746 4.120 -0.000 0.000 0.307 100 V C -1.017 175.102 176.094 0.042 0.000 1.051 100 V CA -0.508 61.855 62.300 0.104 0.000 0.893 100 V CB 2.514 34.444 31.823 0.179 0.000 0.999 100 V HN 0.467 nan 8.190 nan 0.000 0.426 101 V N 7.218 127.144 119.914 0.021 0.000 2.370 101 V HA 0.592 4.712 4.120 -0.000 0.000 0.279 101 V C -0.205 175.898 176.094 0.014 0.000 1.029 101 V CA -0.309 61.989 62.300 -0.003 0.000 0.870 101 V CB 1.386 33.198 31.823 -0.018 0.000 0.984 101 V HN 0.997 nan 8.190 nan 0.000 0.451 102 E N 3.215 123.423 120.200 0.014 0.000 2.308 102 E HA 0.584 4.934 4.350 -0.000 0.000 0.275 102 E C 0.339 176.944 176.600 0.010 0.000 0.890 102 E CA -0.650 55.762 56.400 0.019 0.000 0.754 102 E CB 1.889 31.613 29.700 0.039 0.000 1.207 102 E HN 0.868 nan 8.360 nan 0.000 0.426 103 G N 1.814 110.618 108.800 0.007 0.000 2.421 103 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.300 103 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.300 103 G C 1.031 175.930 174.900 -0.003 0.000 0.974 103 G CA 0.863 45.965 45.100 0.003 0.000 1.062 103 G HN 1.802 nan 8.290 nan 0.000 0.514 104 G N -3.370 105.426 108.800 -0.008 0.000 2.179 104 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.260 104 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.260 104 G C 0.304 175.191 174.900 -0.020 0.000 0.977 104 G CA 0.536 45.628 45.100 -0.014 0.000 0.641 104 G HN 1.716 nan 8.290 nan 0.000 0.533 105 V N 0.509 120.411 119.914 -0.021 0.000 2.448 105 V HA 0.491 4.611 4.120 -0.000 0.000 0.295 105 V C 0.519 176.585 176.094 -0.048 0.000 1.025 105 V CA -1.035 61.245 62.300 -0.034 0.000 0.859 105 V CB 1.873 33.679 31.823 -0.029 0.000 0.988 105 V HN 0.252 nan 8.190 nan 0.000 0.431 106 K N 4.468 124.825 120.400 -0.072 0.000 2.262 106 K HA 0.344 4.664 4.320 -0.000 0.000 0.288 106 K C -0.048 176.469 176.600 -0.139 0.000 1.090 106 K CA -0.305 55.920 56.287 -0.102 0.000 0.918 106 K CB 0.235 32.661 32.500 -0.123 0.000 1.139 106 K HN 0.563 nan 8.250 nan 0.000 0.462 107 R N 3.036 123.455 120.500 -0.135 0.000 2.297 107 R HA 0.237 4.577 4.340 -0.000 0.000 0.308 107 R C -0.382 175.731 176.300 -0.312 0.000 1.029 107 R CA -0.315 55.627 56.100 -0.263 0.000 0.929 107 R CB 1.084 31.257 30.300 -0.212 0.000 1.046 107 R HN 0.395 nan 8.270 nan 0.000 0.461 108 R N 3.406 123.662 120.500 -0.407 0.000 2.343 108 R HA 0.371 4.711 4.340 -0.000 0.000 0.320 108 R C -1.056 175.155 176.300 -0.148 0.000 0.956 108 R CA -0.484 55.526 56.100 -0.149 0.000 0.836 108 R CB 1.124 31.383 30.300 -0.069 0.000 1.151 108 R HN 0.327 nan 8.270 nan 0.000 0.450 109 F N 0.746 120.938 119.950 0.403 0.000 2.563 109 F HA 0.283 4.810 4.527 -0.000 0.000 0.316 109 F C 0.467 176.337 175.800 0.117 0.000 1.076 109 F CA -1.180 56.962 58.000 0.238 0.000 0.921 109 F CB 1.599 40.610 39.000 0.018 0.000 1.209 109 F HN 0.333 nan 8.300 nan 0.000 0.462 110 N N 1.686 120.263 118.700 -0.205 0.000 2.437 110 N HA 0.255 4.995 4.740 -0.000 0.000 0.243 110 N C -1.181 174.112 175.510 -0.362 0.000 1.041 110 N CA 0.242 52.899 53.050 -0.655 0.000 0.940 110 N CB 0.691 38.546 38.487 -1.054 0.000 1.133 110 N HN 0.612 nan 8.380 nan 0.000 0.506 111 T N 1.316 115.632 114.554 -0.396 0.000 2.863 111 T HA 0.538 4.887 4.350 -0.000 0.000 0.285 111 T C -0.455 174.017 174.700 -0.381 0.000 1.009 111 T CA -0.664 61.168 62.100 -0.447 0.000 0.989 111 T CB 1.162 69.660 68.868 -0.616 0.000 1.004 111 T HN 0.514 nan 8.240 nan 0.000 0.455 112 S N 1.714 117.339 115.700 -0.126 0.000 2.570 112 S HA 0.870 5.340 4.470 -0.000 0.000 0.286 112 S C -0.661 174.020 174.600 0.135 0.000 1.099 112 S CA -1.004 57.228 58.200 0.054 0.000 0.913 112 S CB 1.048 64.311 63.200 0.104 0.000 1.085 112 S HN 0.811 nan 8.310 nan 0.000 0.480 113 I N -0.941 119.750 120.570 0.203 0.000 2.785 113 I HA 0.656 4.825 4.170 -0.000 0.000 0.302 113 I C -1.348 174.795 176.117 0.044 0.000 1.069 113 I CA -1.462 59.916 61.300 0.129 0.000 1.045 113 I CB 1.537 39.647 38.000 0.184 0.000 1.236 113 I HN 0.549 nan 8.210 nan 0.000 0.429 114 L N 5.123 126.328 121.223 -0.029 0.000 2.295 114 L HA 0.651 4.991 4.340 -0.000 0.000 0.285 114 L C -0.701 176.061 176.870 -0.179 0.000 1.035 114 L CA -0.905 53.917 54.840 -0.030 0.000 0.806 114 L CB 1.795 43.868 42.059 0.023 0.000 1.214 114 L HN 0.419 nan 8.230 nan 0.000 0.426 115 V N 1.661 121.356 119.914 -0.364 0.000 2.531 115 V HA 0.273 4.393 4.120 -0.000 0.000 0.301 115 V C -0.517 175.426 176.094 -0.250 0.000 1.034 115 V CA -0.930 61.083 62.300 -0.478 0.000 0.865 115 V CB 1.913 33.044 31.823 -1.154 0.000 0.995 115 V HN 0.798 nan 8.190 nan 0.000 0.424 116 D N 4.466 124.815 120.400 -0.085 0.000 2.411 116 D HA 0.224 4.864 4.640 -0.000 0.000 0.251 116 D C 1.028 177.342 176.300 0.022 0.000 1.201 116 D CA -0.678 53.338 54.000 0.027 0.000 0.996 116 D CB 0.789 41.608 40.800 0.032 0.000 1.101 116 D HN 0.184 nan 8.370 nan 0.000 0.504 117 K N 0.026 120.463 120.400 0.063 0.000 2.107 117 K HA -0.200 4.120 4.320 -0.000 0.000 0.211 117 K C 1.927 178.554 176.600 0.046 0.000 1.049 117 K CA 1.933 58.253 56.287 0.055 0.000 0.927 117 K CB -0.959 31.573 32.500 0.053 0.000 0.714 117 K HN 0.631 nan 8.250 nan 0.000 0.452 118 S N -0.641 115.082 115.700 0.039 0.000 2.481 118 S HA 0.027 4.497 4.470 -0.000 0.000 0.231 118 S C 1.399 176.032 174.600 0.055 0.000 0.996 118 S CA 1.207 59.431 58.200 0.041 0.000 0.942 118 S CB 0.025 63.244 63.200 0.032 0.000 0.768 118 S HN 0.504 nan 8.310 nan 0.000 0.520 119 G N 0.723 109.554 108.800 0.053 0.000 2.159 119 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.227 119 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.227 119 G C -0.113 174.848 174.900 0.101 0.000 0.986 119 G CA 0.096 45.252 45.100 0.094 0.000 0.651 119 G HN 0.705 nan 8.290 nan 0.000 0.523 120 K N 0.960 121.386 120.400 0.045 0.000 2.339 120 K HA 0.478 4.798 4.320 -0.000 0.000 0.286 120 K C 0.887 177.484 176.600 -0.005 0.000 1.050 120 K CA -0.733 55.572 56.287 0.030 0.000 0.956 120 K CB 0.117 32.624 32.500 0.011 0.000 0.990 120 K HN 0.254 nan 8.250 nan 0.000 0.475 121 I N 6.444 127.027 120.570 0.022 0.000 2.574 121 I HA -0.093 4.077 4.170 -0.000 0.000 0.291 121 I C 1.369 177.431 176.117 -0.091 0.000 1.131 121 I CA -0.187 61.099 61.300 -0.022 0.000 1.352 121 I CB 0.297 38.318 38.000 0.034 0.000 1.431 121 I HN 0.507 nan 8.210 nan 0.000 0.543 122 V N 2.909 122.733 119.914 -0.151 0.000 3.650 122 V HA 0.519 4.639 4.120 -0.000 0.000 0.271 122 V C 0.775 176.580 176.094 -0.482 0.000 1.281 122 V CA 0.462 62.643 62.300 -0.198 0.000 1.120 122 V CB -0.269 31.485 31.823 -0.114 0.000 0.856 122 V HN 0.805 nan 8.190 nan 0.000 0.443 123 G N -0.066 108.362 108.800 -0.620 0.000 2.596 123 G HA2 0.467 4.426 3.960 -0.000 0.000 0.296 123 G HA3 0.467 4.426 3.960 -0.000 0.000 0.296 123 G C -1.755 172.828 174.900 -0.528 0.000 1.513 123 G CA -0.697 43.646 45.100 -1.261 0.000 0.851 123 G HN 0.318 nan 8.290 nan 0.000 0.548 124 K N 0.012 120.267 120.400 -0.242 0.000 2.318 124 K HA 0.742 5.062 4.320 -0.000 0.000 0.249 124 K C -1.854 174.860 176.600 0.190 0.000 0.942 124 K CA -1.024 55.273 56.287 0.017 0.000 0.808 124 K CB 2.303 34.799 32.500 -0.007 0.000 1.189 124 K HN 0.591 nan 8.250 nan 0.000 0.428 125 Y N 2.216 122.521 120.300 0.008 0.000 2.477 125 Y HA 0.490 5.039 4.550 -0.000 0.000 0.347 125 Y C -1.485 174.338 175.900 -0.128 0.000 0.981 125 Y CA -0.829 57.253 58.100 -0.031 0.000 1.033 125 Y CB 1.746 40.219 38.460 0.021 0.000 1.245 125 Y HN 0.580 nan 8.280 nan 0.000 0.455 126 R N 4.360 124.201 120.500 -1.098 0.000 2.480 126 R HA 0.322 4.662 4.340 -0.000 0.000 0.306 126 R C -1.037 174.584 176.300 -1.132 0.000 0.958 126 R CA -1.172 54.381 56.100 -0.912 0.000 0.861 126 R CB 1.864 31.738 30.300 -0.711 0.000 1.171 126 R HN 0.595 nan 8.270 nan 0.000 0.445 127 K N 3.223 123.221 120.400 -0.669 0.000 2.473 127 K HA -0.079 4.241 4.320 -0.000 0.000 0.277 127 K C 0.422 176.881 176.600 -0.234 0.000 1.052 127 K CA 0.449 56.549 56.287 -0.313 0.000 1.114 127 K CB 0.463 32.898 32.500 -0.108 0.000 0.869 127 K HN 0.614 nan 8.250 nan 0.000 0.481 128 I N 3.030 123.508 120.570 -0.153 0.000 2.628 128 I HA -0.100 4.070 4.170 -0.000 0.000 0.255 128 I C 0.278 176.215 176.117 -0.299 0.000 1.119 128 I CA 0.334 61.462 61.300 -0.288 0.000 1.448 128 I CB 0.062 37.767 38.000 -0.492 0.000 1.133 128 I HN 0.607 nan 8.210 nan 0.000 0.438 129 H N 2.165 121.230 119.070 -0.010 0.000 2.788 129 H HA 0.370 4.926 4.556 -0.000 0.000 0.254 129 H C -0.558 174.799 175.328 0.049 0.000 1.541 129 H CA -0.357 55.626 56.048 -0.109 0.000 1.295 129 H CB -0.039 29.515 29.762 -0.347 0.000 1.592 129 H HN 0.087 nan 8.280 nan 0.000 0.545 130 L N 5.087 126.389 121.223 0.132 0.000 2.360 130 L HA 0.236 4.576 4.340 -0.000 0.000 0.276 130 L C -1.874 175.128 176.870 0.220 0.000 1.121 130 L CA -1.802 53.145 54.840 0.178 0.000 0.845 130 L CB 0.351 42.501 42.059 0.152 0.000 1.143 130 L HN 0.415 nan 8.230 nan 0.000 0.452 131 P HA 0.560 nan 4.420 nan 0.000 0.301 131 P C 0.180 177.635 177.300 0.258 0.000 1.309 131 P CA 0.014 63.258 63.100 0.240 0.000 0.782 131 P CB 1.637 33.453 31.700 0.194 0.000 1.282 132 G N -0.379 108.522 108.800 0.168 0.000 2.484 132 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.225 132 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.225 132 G C -1.017 174.025 174.900 0.237 0.000 1.250 132 G CA 0.182 45.422 45.100 0.233 0.000 0.926 132 G HN 1.109 nan 8.290 nan 0.000 0.581 133 H N -1.598 117.566 119.070 0.156 0.000 2.928 133 H HA 0.851 5.406 4.556 -0.000 0.000 0.371 133 H C 0.796 176.162 175.328 0.064 0.000 1.186 133 H CA -0.306 55.804 56.048 0.104 0.000 1.134 133 H CB 1.926 31.748 29.762 0.101 0.000 1.824 133 H HN 0.626 nan 8.280 nan 0.000 0.554 134 K N 0.118 120.605 120.400 0.145 0.000 2.098 134 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 134 K C -0.092 176.573 176.600 0.109 0.000 1.051 134 K CA 1.200 57.531 56.287 0.072 0.000 0.957 134 K CB 0.331 32.879 32.500 0.081 0.000 0.738 134 K HN 0.802 nan 8.250 nan 0.000 0.447 135 E N -1.308 119.020 120.200 0.214 0.000 2.227 135 E HA 0.098 4.448 4.350 -0.000 0.000 0.268 135 E C -1.074 175.742 176.600 0.360 0.000 0.907 135 E CA -1.165 55.384 56.400 0.249 0.000 0.786 135 E CB 0.640 30.452 29.700 0.186 0.000 1.191 135 E HN 0.091 nan 8.360 nan 0.000 0.411 136 Y N 1.575 122.003 120.300 0.213 0.000 2.969 136 Y HA -0.094 4.456 4.550 -0.000 0.000 0.339 136 Y C -0.392 175.558 175.900 0.083 0.000 1.272 136 Y CA 1.046 59.236 58.100 0.149 0.000 1.577 136 Y CB 0.543 38.918 38.460 -0.141 0.000 1.234 136 Y HN 0.594 nan 8.280 nan 0.000 0.590 137 E N 4.411 124.298 120.200 -0.522 0.000 2.210 137 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 137 E C 0.020 176.373 176.600 -0.411 0.000 0.883 137 E CA -0.146 56.051 56.400 -0.338 0.000 0.761 137 E CB 1.727 31.242 29.700 -0.307 0.000 1.156 137 E HN 0.831 nan 8.360 nan 0.000 0.412 138 A N 3.190 125.984 122.820 -0.043 0.000 1.855 138 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 138 A C 1.770 179.374 177.584 0.033 0.000 1.191 138 A CA 1.297 53.362 52.037 0.047 0.000 0.613 138 A CB -0.801 18.279 19.000 0.134 0.000 0.829 138 A HN 0.830 nan 8.150 nan 0.000 0.442 139 Y N -0.630 119.605 120.300 -0.109 0.000 2.751 139 Y HA 0.165 4.715 4.550 -0.000 0.000 0.310 139 Y C 0.707 176.540 175.900 -0.111 0.000 1.176 139 Y CA -0.084 57.962 58.100 -0.090 0.000 1.360 139 Y CB -0.277 38.130 38.460 -0.087 0.000 0.999 139 Y HN 0.038 nan 8.280 nan 0.000 0.532 140 R N 1.978 122.089 120.500 -0.649 0.000 2.229 140 R HA 0.178 4.518 4.340 -0.000 0.000 0.332 140 R C -1.915 174.174 176.300 -0.353 0.000 0.989 140 R CA -1.764 53.901 56.100 -0.725 0.000 0.842 140 R CB 0.985 30.869 30.300 -0.694 0.000 1.119 140 R HN 0.150 nan 8.270 nan 0.000 0.456 141 P HA -0.113 nan 4.420 nan 0.000 0.222 141 P C -0.479 176.777 177.300 -0.073 0.000 1.147 141 P CA 1.189 64.172 63.100 -0.195 0.000 0.790 141 P CB 0.163 31.720 31.700 -0.239 0.000 0.780 142 F N -3.924 116.023 119.950 -0.004 0.000 2.662 142 F HA 0.597 5.124 4.527 -0.001 0.000 0.312 142 F C -0.864 174.941 175.800 0.008 0.000 1.113 142 F CA -1.977 56.032 58.000 0.016 0.000 0.951 142 F CB 0.367 39.387 39.000 0.033 0.000 1.344 142 F HN -0.447 nan 8.300 nan 0.000 0.462 143 Q N 0.493 120.532 119.800 0.397 0.000 2.221 143 Q HA 0.268 4.608 4.340 -0.000 0.000 0.242 143 Q C -1.305 174.891 176.000 0.327 0.000 0.940 143 Q CA -0.359 55.641 55.803 0.329 0.000 0.896 143 Q CB 1.697 30.556 28.738 0.201 0.000 1.226 143 Q HN 0.977 nan 8.270 nan 0.000 0.463 144 H N 0.899 120.046 119.070 0.128 0.000 2.607 144 H HA 0.329 4.885 4.556 -0.000 0.000 0.248 144 H C -0.667 174.419 175.328 -0.403 0.000 1.355 144 H CA -0.023 56.005 56.048 -0.032 0.000 1.524 144 H CB -0.290 29.581 29.762 0.181 0.000 1.563 144 H HN 0.366 nan 8.280 nan 0.000 0.509 145 L N 3.411 124.367 121.223 -0.446 0.000 3.036 145 L HA 0.209 4.548 4.340 -0.000 0.000 0.237 145 L C 1.457 178.058 176.870 -0.448 0.000 1.319 145 L CA 0.096 54.596 54.840 -0.566 0.000 1.112 145 L CB 0.172 41.805 42.059 -0.711 0.000 1.480 145 L HN 0.625 nan 8.230 nan 0.000 0.506 146 E N 0.514 120.625 120.200 -0.148 0.000 2.118 146 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 146 E C 1.557 178.229 176.600 0.119 0.000 0.992 146 E CA 1.122 57.598 56.400 0.127 0.000 0.804 146 E CB 0.088 29.963 29.700 0.291 0.000 0.741 146 E HN 0.463 nan 8.360 nan 0.000 0.458 147 K N 0.345 120.768 120.400 0.038 0.000 2.362 147 K HA -0.108 4.212 4.320 -0.000 0.000 0.200 147 K C 2.112 178.700 176.600 -0.020 0.000 1.046 147 K CA 0.543 56.855 56.287 0.042 0.000 0.952 147 K CB 0.041 32.576 32.500 0.058 0.000 0.753 147 K HN -0.013 nan 8.250 nan 0.000 0.466 148 R N -0.484 119.926 120.500 -0.150 0.000 2.146 148 R HA -0.007 4.333 4.340 -0.000 0.000 0.206 148 R C 1.024 177.256 176.300 -0.112 0.000 1.049 148 R CA 0.641 56.631 56.100 -0.183 0.000 1.029 148 R CB 0.301 30.394 30.300 -0.345 0.000 0.949 148 R HN 0.111 nan 8.270 nan 0.000 0.471 149 Y N -1.129 119.080 120.300 -0.151 0.000 2.462 149 Y HA 0.308 4.858 4.550 -0.000 0.000 0.261 149 Y C -0.439 175.127 175.900 -0.557 0.000 1.146 149 Y CA -0.348 57.542 58.100 -0.349 0.000 1.283 149 Y CB 0.428 38.581 38.460 -0.512 0.000 1.090 149 Y HN -0.144 nan 8.280 nan 0.000 0.526 150 F N -0.121 119.924 119.950 0.159 0.000 2.613 150 F HA 0.407 4.934 4.527 -0.000 0.000 0.310 150 F C -0.316 175.481 175.800 -0.005 0.000 1.085 150 F CA -1.957 56.091 58.000 0.081 0.000 0.945 150 F CB 1.643 40.696 39.000 0.088 0.000 1.298 150 F HN -0.161 nan 8.300 nan 0.000 0.455 151 E N 1.262 121.526 120.200 0.107 0.000 2.221 151 E HA 0.645 4.995 4.350 -0.000 0.000 0.268 151 E C -3.015 173.636 176.600 0.084 0.000 0.933 151 E CA -2.559 53.858 56.400 0.029 0.000 0.809 151 E CB 1.627 31.274 29.700 -0.088 0.000 1.190 151 E HN 0.112 nan 8.360 nan 0.000 0.406 152 P HA 0.033 nan 4.420 nan 0.000 0.262 152 P C 0.069 177.394 177.300 0.041 0.000 1.182 152 P CA 0.283 63.387 63.100 0.006 0.000 0.761 152 P CB 0.516 32.183 31.700 -0.054 0.000 0.795 153 G N 2.419 111.182 108.800 -0.061 0.000 2.554 153 G HA2 0.131 4.091 3.960 -0.000 0.000 0.238 153 G HA3 0.131 4.091 3.960 -0.000 0.000 0.238 153 G C 0.290 175.079 174.900 -0.184 0.000 1.259 153 G CA -0.393 44.623 45.100 -0.139 0.000 0.843 153 G HN 0.571 nan 8.290 nan 0.000 0.582 154 D N 0.370 120.628 120.400 -0.236 0.000 2.462 154 D HA 0.026 4.666 4.640 -0.000 0.000 0.221 154 D C 1.293 177.468 176.300 -0.209 0.000 1.173 154 D CA -0.110 53.790 54.000 -0.167 0.000 0.831 154 D CB 0.088 40.853 40.800 -0.059 0.000 1.001 154 D HN 0.325 nan 8.370 nan 0.000 0.499 155 L N -0.310 120.753 121.223 -0.266 0.000 2.728 155 L HA 0.399 4.739 4.340 -0.000 0.000 0.238 155 L C 1.410 178.190 176.870 -0.150 0.000 1.143 155 L CA -0.027 54.709 54.840 -0.173 0.000 0.937 155 L CB 0.131 42.111 42.059 -0.132 0.000 1.225 155 L HN 0.214 nan 8.230 nan 0.000 0.507 156 G N 1.136 109.787 108.800 -0.248 0.000 2.578 156 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.275 156 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.275 156 G C -0.380 174.281 174.900 -0.399 0.000 1.271 156 G CA -0.050 44.848 45.100 -0.336 0.000 0.941 156 G HN 0.114 nan 8.290 nan 0.000 0.564 157 F N 2.839 122.822 119.950 0.055 0.000 2.366 157 F HA 0.444 4.970 4.527 -0.000 0.000 0.357 157 F C -1.475 174.270 175.800 -0.092 0.000 1.107 157 F CA -1.486 56.508 58.000 -0.011 0.000 1.208 157 F CB 1.422 40.390 39.000 -0.054 0.000 1.464 157 F HN 0.235 nan 8.300 nan 0.000 0.501 158 P HA 0.190 nan 4.420 nan 0.000 0.274 158 P C -0.557 176.525 177.300 -0.363 0.000 1.237 158 P CA -0.115 62.824 63.100 -0.268 0.000 0.793 158 P CB 2.187 33.617 31.700 -0.451 0.000 0.977 159 V N 2.849 122.494 119.914 -0.447 0.000 2.487 159 V HA 0.346 4.466 4.120 -0.000 0.000 0.298 159 V C -0.663 175.184 176.094 -0.412 0.000 1.028 159 V CA -0.390 61.719 62.300 -0.318 0.000 0.860 159 V CB 0.982 32.726 31.823 -0.131 0.000 0.991 159 V HN 0.412 nan 8.190 nan 0.000 0.427 160 Y N 1.178 121.474 120.300 -0.008 0.000 2.485 160 Y HA 0.505 5.055 4.550 -0.000 0.000 0.345 160 Y C 0.217 176.102 175.900 -0.024 0.000 0.998 160 Y CA -1.298 56.797 58.100 -0.009 0.000 1.059 160 Y CB 1.232 39.689 38.460 -0.005 0.000 1.234 160 Y HN 0.514 nan 8.280 nan 0.000 0.461 161 D N 2.066 122.558 120.400 0.153 0.000 2.343 161 D HA 0.283 4.923 4.640 -0.000 0.000 0.255 161 D C -0.880 175.454 176.300 0.057 0.000 1.187 161 D CA 0.224 54.266 54.000 0.071 0.000 0.875 161 D CB 1.314 42.146 40.800 0.053 0.000 1.136 161 D HN 0.174 nan 8.370 nan 0.000 0.469 162 V N 4.186 124.105 119.914 0.008 0.000 2.349 162 V HA 0.147 4.267 4.120 -0.000 0.000 0.284 162 V C 0.532 176.615 176.094 -0.019 0.000 1.014 162 V CA -0.793 61.501 62.300 -0.010 0.000 0.826 162 V CB 1.270 33.061 31.823 -0.054 0.000 1.009 162 V HN 0.576 nan 8.190 nan 0.000 0.431 163 D N 4.082 124.486 120.400 0.007 0.000 3.608 163 D HA -0.316 4.324 4.640 -0.000 0.000 0.152 163 D C 1.388 177.684 176.300 -0.007 0.000 0.971 163 D CA 1.936 55.940 54.000 0.006 0.000 1.072 163 D CB -0.469 40.341 40.800 0.016 0.000 0.507 163 D HN 0.776 nan 8.370 nan 0.000 0.520 164 A N 0.499 123.308 122.820 -0.018 0.000 2.337 164 A HA 0.533 4.853 4.320 -0.000 0.000 0.227 164 A C 0.617 178.181 177.584 -0.032 0.000 1.259 164 A CA 1.254 53.279 52.037 -0.020 0.000 0.870 164 A CB -0.082 18.907 19.000 -0.018 0.000 0.927 164 A HN 0.627 nan 8.150 nan 0.000 0.497 165 A N 0.099 122.887 122.820 -0.053 0.000 2.337 165 A HA 0.631 4.951 4.320 -0.000 0.000 0.329 165 A C -0.263 177.292 177.584 -0.049 0.000 1.146 165 A CA -0.672 51.323 52.037 -0.070 0.000 0.800 165 A CB 0.651 19.566 19.000 -0.141 0.000 1.220 165 A HN 0.271 nan 8.150 nan 0.000 0.472 166 K N 2.234 122.618 120.400 -0.026 0.000 2.263 166 K HA 0.413 4.733 4.320 -0.000 0.000 0.282 166 K C -0.821 175.767 176.600 -0.019 0.000 1.089 166 K CA 0.425 56.706 56.287 -0.010 0.000 0.907 166 K CB 0.643 33.144 32.500 0.002 0.000 1.148 166 K HN 0.704 nan 8.250 nan 0.000 0.470 167 M N 1.597 121.184 119.600 -0.022 0.000 2.364 167 M HA 0.381 4.861 4.480 -0.000 0.000 0.334 167 M C 0.288 176.588 176.300 0.001 0.000 1.107 167 M CA -0.784 54.492 55.300 -0.039 0.000 0.988 167 M CB 2.131 34.658 32.600 -0.121 0.000 1.673 167 M HN 0.616 nan 8.290 nan 0.000 0.441 168 G N 2.976 111.763 108.800 -0.021 0.000 2.482 168 G HA2 0.779 4.739 3.960 -0.000 0.000 0.317 168 G HA3 0.779 4.739 3.960 -0.000 0.000 0.317 168 G C -1.033 173.824 174.900 -0.070 0.000 1.241 168 G CA -0.780 44.294 45.100 -0.043 0.000 0.967 168 G HN 0.632 nan 8.290 nan 0.000 0.482 169 M N 1.123 120.652 119.600 -0.118 0.000 2.367 169 M HA 0.569 5.049 4.480 -0.000 0.000 0.339 169 M C -0.583 175.461 176.300 -0.427 0.000 1.177 169 M CA -0.547 54.612 55.300 -0.235 0.000 1.068 169 M CB 1.649 34.178 32.600 -0.119 0.000 1.602 169 M HN 0.586 nan 8.290 nan 0.000 0.457 170 F N 0.371 120.124 119.950 -0.328 0.000 2.611 170 F HA 0.915 5.442 4.527 -0.000 0.000 0.324 170 F C -1.452 174.376 175.800 0.047 0.000 1.061 170 F CA -1.284 56.553 58.000 -0.270 0.000 0.954 170 F CB 1.027 39.867 39.000 -0.266 0.000 1.301 170 F HN 0.387 nan 8.300 nan 0.000 0.482 171 I N 2.332 123.138 120.570 0.392 0.000 2.466 171 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 171 I C 0.515 176.912 176.117 0.466 0.000 1.026 171 I CA -0.749 60.729 61.300 0.297 0.000 1.078 171 I CB 1.442 39.589 38.000 0.246 0.000 1.249 171 I HN 1.234 nan 8.210 nan 0.000 0.429 172 C N 4.952 124.527 119.300 0.457 0.000 5.664 172 C HA -0.392 4.067 4.460 -0.000 0.000 0.317 172 C C 2.504 177.739 174.990 0.408 0.000 2.354 172 C CA 2.316 61.596 59.018 0.437 0.000 2.137 172 C CB -1.520 26.402 27.740 0.303 0.000 3.208 172 C HN 1.112 nan 8.230 nan 0.000 0.357 173 N N 0.877 119.788 118.700 0.352 0.000 2.364 173 N HA -0.093 4.646 4.740 -0.000 0.000 0.183 173 N C 1.132 176.916 175.510 0.458 0.000 1.022 173 N CA 2.082 55.343 53.050 0.352 0.000 0.883 173 N CB -0.350 38.353 38.487 0.360 0.000 0.965 173 N HN 0.719 nan 8.380 nan 0.000 0.438 174 D N 0.426 121.122 120.400 0.492 0.000 2.228 174 D HA -0.214 4.426 4.640 -0.000 0.000 0.203 174 D C 1.820 178.293 176.300 0.288 0.000 0.988 174 D CA 0.857 55.167 54.000 0.517 0.000 0.864 174 D CB -0.264 40.875 40.800 0.566 0.000 0.928 174 D HN 0.656 nan 8.370 nan 0.000 0.469 175 R N 0.917 121.473 120.500 0.094 0.000 2.193 175 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 175 R C 1.434 177.817 176.300 0.138 0.000 1.110 175 R CA 0.779 56.794 56.100 -0.143 0.000 0.988 175 R CB -0.295 29.752 30.300 -0.421 0.000 0.871 175 R HN 0.134 nan 8.270 nan 0.000 0.458 176 R N -0.235 120.291 120.500 0.043 0.000 2.317 176 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 176 R C -0.644 175.391 176.300 -0.443 0.000 0.914 176 R CA 0.111 56.076 56.100 -0.224 0.000 1.060 176 R CB 0.159 30.253 30.300 -0.343 0.000 1.015 176 R HN 0.146 nan 8.270 nan 0.000 0.498 177 W N 1.706 122.940 121.300 -0.110 0.000 2.361 177 W HA 0.327 4.987 4.660 0.000 0.000 0.314 177 W C -1.735 174.755 176.519 -0.049 0.000 1.041 177 W CA -2.562 54.678 57.345 -0.176 0.000 1.241 177 W CB 1.256 30.449 29.460 -0.445 0.000 1.279 177 W HN -0.184 nan 8.180 nan 0.000 0.436 178 P HA -0.181 nan 4.420 nan 0.000 0.225 178 P C 0.634 177.963 177.300 0.048 0.000 1.148 178 P CA 1.551 64.662 63.100 0.019 0.000 0.779 178 P CB 0.522 32.162 31.700 -0.101 0.000 0.780 179 E N -0.735 119.500 120.200 0.058 0.000 2.158 179 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 179 E C 2.008 178.451 176.600 -0.261 0.000 0.982 179 E CA 1.206 57.585 56.400 -0.036 0.000 0.823 179 E CB -0.955 28.777 29.700 0.054 0.000 0.766 179 E HN 0.199 nan 8.360 nan 0.000 0.468 180 T N -0.067 114.322 114.554 -0.275 0.000 2.684 180 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 180 T C 1.129 175.524 174.700 -0.507 0.000 1.036 180 T CA 1.425 63.092 62.100 -0.721 0.000 1.148 180 T CB -0.355 68.335 68.868 -0.296 0.000 0.863 180 T HN 0.323 nan 8.240 nan 0.000 0.436 181 W N 1.051 122.183 121.300 -0.279 0.000 2.418 181 W HA 0.149 4.809 4.660 -0.000 0.000 0.292 181 W C 2.708 179.128 176.519 -0.165 0.000 1.213 181 W CA 0.063 57.292 57.345 -0.193 0.000 1.283 181 W CB -0.272 29.083 29.460 -0.174 0.000 1.119 181 W HN 0.018 nan 8.180 nan 0.000 0.542 182 R N 0.497 121.014 120.500 0.027 0.000 2.093 182 R HA -0.034 4.306 4.340 -0.000 0.000 0.224 182 R C 1.840 178.111 176.300 -0.049 0.000 1.101 182 R CA 1.300 57.378 56.100 -0.037 0.000 0.979 182 R CB -1.045 29.177 30.300 -0.129 0.000 0.877 182 R HN 0.059 nan 8.270 nan 0.000 0.441 183 V N 0.818 120.671 119.914 -0.102 0.000 2.261 183 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 183 V C 2.284 178.374 176.094 -0.007 0.000 1.047 183 V CA 2.284 64.552 62.300 -0.053 0.000 1.015 183 V CB -0.410 31.382 31.823 -0.052 0.000 0.642 183 V HN 0.337 nan 8.190 nan 0.000 0.446 184 M N 0.103 119.676 119.600 -0.045 0.000 2.213 184 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 184 M C 2.213 178.545 176.300 0.054 0.000 1.062 184 M CA 1.828 57.123 55.300 -0.008 0.000 1.105 184 M CB -0.801 31.764 32.600 -0.059 0.000 1.385 184 M HN 0.493 nan 8.290 nan 0.000 0.417 185 G N 0.345 109.210 108.800 0.108 0.000 2.432 185 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.219 185 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.219 185 G C 1.475 176.560 174.900 0.309 0.000 1.135 185 G CA 0.499 45.730 45.100 0.218 0.000 0.767 185 G HN 0.355 nan 8.290 nan 0.000 0.550 186 L N -0.704 120.662 121.223 0.239 0.000 2.341 186 L HA 0.168 4.508 4.340 -0.000 0.000 0.214 186 L C 2.308 179.263 176.870 0.143 0.000 1.115 186 L CA 0.572 55.556 54.840 0.239 0.000 0.820 186 L CB 0.122 42.236 42.059 0.092 0.000 0.944 186 L HN 0.104 nan 8.230 nan 0.000 0.452 187 K N -0.131 120.322 120.400 0.089 0.000 2.417 187 K HA 0.188 4.508 4.320 -0.000 0.000 0.196 187 K C 1.059 177.680 176.600 0.035 0.000 1.023 187 K CA 0.502 56.815 56.287 0.044 0.000 1.122 187 K CB 0.384 32.889 32.500 0.009 0.000 0.850 187 K HN 0.265 nan 8.250 nan 0.000 0.521 188 G N 1.237 110.070 108.800 0.054 0.000 2.143 188 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 188 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 188 G C 0.233 175.146 174.900 0.023 0.000 0.991 188 G CA 0.061 45.176 45.100 0.025 0.000 0.689 188 G HN 0.459 nan 8.290 nan 0.000 0.522 189 A N -0.579 122.260 122.820 0.032 0.000 2.565 189 A HA 0.512 4.832 4.320 -0.000 0.000 0.237 189 A C 1.075 178.695 177.584 0.060 0.000 1.053 189 A CA 1.493 53.550 52.037 0.032 0.000 0.755 189 A CB 0.194 19.209 19.000 0.025 0.000 0.980 189 A HN 0.613 nan 8.150 nan 0.000 0.506 190 E N 1.120 121.360 120.200 0.068 0.000 2.330 190 E HA 0.208 4.558 4.350 -0.000 0.000 0.200 190 E C -0.421 176.299 176.600 0.200 0.000 0.922 190 E CA 0.404 56.882 56.400 0.130 0.000 0.935 190 E CB 0.328 30.092 29.700 0.107 0.000 0.917 190 E HN 0.756 nan 8.360 nan 0.000 0.491 191 I N 1.874 122.509 120.570 0.108 0.000 2.436 191 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 191 I C -0.685 175.474 176.117 0.071 0.000 1.010 191 I CA -0.595 60.776 61.300 0.118 0.000 1.098 191 I CB 2.051 40.050 38.000 -0.002 0.000 1.266 191 I HN -0.112 nan 8.210 nan 0.000 0.434 192 I N 6.417 127.062 120.570 0.125 0.000 2.355 192 I HA 0.416 4.585 4.170 -0.000 0.000 0.288 192 I C -0.261 175.940 176.117 0.141 0.000 0.999 192 I CA -0.459 60.870 61.300 0.048 0.000 1.163 192 I CB 1.184 39.129 38.000 -0.092 0.000 1.316 192 I HN 0.716 nan 8.210 nan 0.000 0.454 193 C N 3.407 122.743 119.300 0.060 0.000 2.994 193 C HA 1.068 5.528 4.460 -0.000 0.000 0.304 193 C C 0.034 174.760 174.990 -0.440 0.000 1.273 193 C CA -0.431 58.599 59.018 0.020 0.000 1.537 193 C CB 1.070 28.846 27.740 0.061 0.000 2.001 193 C HN 1.010 nan 8.230 nan 0.000 0.471 194 G N -0.078 108.391 108.800 -0.551 0.000 2.320 194 G HA2 0.705 4.665 3.960 -0.000 0.000 0.296 194 G HA3 0.705 4.665 3.960 -0.000 0.000 0.296 194 G C -0.776 173.930 174.900 -0.323 0.000 1.306 194 G CA 0.155 44.756 45.100 -0.831 0.000 0.836 194 G HN 1.805 nan 8.290 nan 0.000 0.517 195 G N -1.753 106.963 108.800 -0.141 0.000 2.788 195 G HA2 1.005 4.965 3.960 -0.000 0.000 0.293 195 G HA3 1.005 4.965 3.960 -0.000 0.000 0.293 195 G C -1.267 173.809 174.900 0.294 0.000 1.305 195 G CA -0.293 44.871 45.100 0.106 0.000 1.005 195 G HN 1.959 nan 8.290 nan 0.000 0.496 196 Y N -2.101 118.246 120.300 0.077 0.000 2.620 196 Y HA 0.563 5.113 4.550 -0.001 0.000 0.331 196 Y C -1.482 174.380 175.900 -0.063 0.000 1.173 196 Y CA -1.526 56.605 58.100 0.051 0.000 1.076 196 Y CB 1.007 39.538 38.460 0.117 0.000 1.336 196 Y HN 0.381 nan 8.280 nan 0.000 0.459 197 N N 2.558 121.230 118.700 -0.047 0.000 2.626 197 N HA 0.303 5.043 4.740 -0.000 0.000 0.249 197 N C -1.451 173.951 175.510 -0.179 0.000 1.021 197 N CA -0.525 52.345 53.050 -0.301 0.000 0.886 197 N CB 2.028 40.011 38.487 -0.841 0.000 1.149 197 N HN 0.700 nan 8.380 nan 0.000 0.517 198 T N 2.449 117.020 114.554 0.027 0.000 2.893 198 T HA 0.336 4.686 4.350 -0.000 0.000 0.324 198 T C -2.466 172.235 174.700 0.002 0.000 1.082 198 T CA -1.337 60.788 62.100 0.041 0.000 0.983 198 T CB 1.675 70.589 68.868 0.077 0.000 1.005 198 T HN 0.148 nan 8.240 nan 0.000 0.475 199 P HA 0.102 nan 4.420 nan 0.000 0.268 199 P C 1.127 178.494 177.300 0.113 0.000 1.208 199 P CA -0.223 62.897 63.100 0.033 0.000 0.777 199 P CB 0.419 32.166 31.700 0.078 0.000 0.875 200 T N -2.974 111.665 114.554 0.142 0.000 3.129 200 T HA -0.003 4.347 4.350 -0.000 0.000 0.251 200 T C 0.500 175.333 174.700 0.221 0.000 1.117 200 T CA 0.550 62.738 62.100 0.147 0.000 1.034 200 T CB -0.561 68.373 68.868 0.111 0.000 0.968 200 T HN 0.464 nan 8.240 nan 0.000 0.526 201 H N 1.080 120.260 119.070 0.183 0.000 2.529 201 H HA 0.422 4.978 4.556 -0.000 0.000 0.348 201 H C -1.392 174.036 175.328 0.167 0.000 1.079 201 H CA -0.703 55.433 56.048 0.146 0.000 1.198 201 H CB 1.350 31.171 29.762 0.098 0.000 1.521 201 H HN 0.173 nan 8.280 nan 0.000 0.514 202 N N 6.138 124.529 118.700 -0.515 0.000 2.524 202 N HA 0.160 4.900 4.740 -0.000 0.000 0.261 202 N C -2.271 172.846 175.510 -0.655 0.000 0.998 202 N CA -1.886 50.908 53.050 -0.426 0.000 0.915 202 N CB 2.213 40.619 38.487 -0.135 0.000 1.187 202 N HN 0.371 nan 8.380 nan 0.000 0.507 203 P HA -0.077 nan 4.420 nan 0.000 0.215 203 P C -1.568 175.708 177.300 -0.041 0.000 1.157 203 P CA 1.415 64.272 63.100 -0.405 0.000 0.874 203 P CB -0.455 30.928 31.700 -0.527 0.000 0.790 204 P HA -0.063 nan 4.420 nan 0.000 0.215 204 P C 0.178 177.459 177.300 -0.032 0.000 1.157 204 P CA 1.360 64.512 63.100 0.087 0.000 0.863 204 P CB -0.057 31.672 31.700 0.049 0.000 0.787 205 V N 0.045 119.891 119.914 -0.114 0.000 2.320 205 V HA 0.195 4.314 4.120 -0.000 0.000 0.257 205 V C -2.007 173.981 176.094 -0.178 0.000 0.996 205 V CA -0.960 61.216 62.300 -0.206 0.000 0.928 205 V CB 1.189 32.779 31.823 -0.388 0.000 1.169 205 V HN 0.043 nan 8.190 nan 0.000 0.475 206 P HA -0.094 nan 4.420 nan 0.000 0.233 206 P C 1.423 178.793 177.300 0.116 0.000 1.167 206 P CA 0.607 63.730 63.100 0.039 0.000 0.770 206 P CB 0.235 32.033 31.700 0.163 0.000 0.837 207 Q N -0.817 119.028 119.800 0.074 0.000 2.415 207 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 207 Q C 0.421 176.638 176.000 0.362 0.000 0.946 207 Q CA 1.004 56.923 55.803 0.194 0.000 0.951 207 Q CB -1.071 27.754 28.738 0.145 0.000 1.026 207 Q HN 0.490 nan 8.270 nan 0.000 0.510 208 H N -0.245 118.877 119.070 0.087 0.000 2.592 208 H HA 0.148 4.704 4.556 -0.000 0.000 0.279 208 H C 0.270 175.565 175.328 -0.056 0.000 1.089 208 H CA -0.451 55.578 56.048 -0.032 0.000 1.150 208 H CB 0.815 30.603 29.762 0.043 0.000 1.575 208 H HN 0.178 nan 8.280 nan 0.000 0.547 209 D N 0.627 121.146 120.400 0.200 0.000 2.178 209 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 209 D C 1.674 178.055 176.300 0.135 0.000 0.980 209 D CA 1.232 55.336 54.000 0.174 0.000 0.842 209 D CB -0.171 40.768 40.800 0.232 0.000 0.948 209 D HN 0.762 nan 8.370 nan 0.000 0.472 210 H N -1.155 117.953 119.070 0.063 0.000 2.556 210 H HA 0.220 4.775 4.556 -0.000 0.000 0.268 210 H C 1.284 176.605 175.328 -0.012 0.000 0.996 210 H CA 0.254 56.317 56.048 0.025 0.000 1.157 210 H CB -0.191 29.576 29.762 0.008 0.000 1.355 210 H HN 0.099 nan 8.280 nan 0.000 0.597 211 L N 0.098 121.127 121.223 -0.323 0.000 2.906 211 L HA 0.182 4.522 4.340 -0.000 0.000 0.255 211 L C 1.207 177.942 176.870 -0.226 0.000 1.166 211 L CA -0.012 54.607 54.840 -0.367 0.000 0.977 211 L CB 0.340 42.005 42.059 -0.657 0.000 1.313 211 L HN 0.294 nan 8.230 nan 0.000 0.549 212 T N -0.308 114.215 114.554 -0.051 0.000 2.622 212 T HA -0.237 4.113 4.350 -0.000 0.000 0.266 212 T C 2.087 176.838 174.700 0.086 0.000 1.047 212 T CA 2.213 64.336 62.100 0.039 0.000 1.159 212 T CB -0.069 68.842 68.868 0.071 0.000 0.863 212 T HN 0.375 nan 8.240 nan 0.000 0.422 213 S N 0.773 116.549 115.700 0.127 0.000 2.368 213 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 213 S C 1.847 176.574 174.600 0.212 0.000 1.030 213 S CA 1.227 59.578 58.200 0.251 0.000 0.999 213 S CB -0.740 62.684 63.200 0.375 0.000 0.844 213 S HN 0.399 nan 8.310 nan 0.000 0.459 214 F N 2.869 122.802 119.950 -0.028 0.000 2.063 214 F HA -0.214 4.313 4.527 0.000 0.000 0.298 214 F C 2.349 178.126 175.800 -0.037 0.000 1.109 214 F CA 2.541 60.485 58.000 -0.094 0.000 1.212 214 F CB -1.007 37.861 39.000 -0.221 0.000 0.973 214 F HN 0.361 nan 8.300 nan 0.000 0.480 215 H N -1.258 117.687 119.070 -0.209 0.000 2.423 215 H HA -0.133 4.423 4.556 0.000 0.000 0.297 215 H C 2.401 177.589 175.328 -0.234 0.000 1.075 215 H CA 1.656 57.503 56.048 -0.334 0.000 1.342 215 H CB -1.133 28.537 29.762 -0.153 0.000 1.395 215 H HN 0.551 nan 8.280 nan 0.000 0.530 216 H N 0.777 119.806 119.070 -0.069 0.000 2.299 216 H HA -0.061 4.495 4.556 -0.001 0.000 0.302 216 H C 2.139 177.381 175.328 -0.143 0.000 1.078 216 H CA 1.176 57.149 56.048 -0.126 0.000 1.323 216 H CB -0.001 29.685 29.762 -0.127 0.000 1.381 216 H HN 0.207 nan 8.280 nan 0.000 0.498 217 L N 0.255 121.314 121.223 -0.273 0.000 2.017 217 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 217 L C 2.925 179.591 176.870 -0.340 0.000 1.073 217 L CA 0.675 55.321 54.840 -0.325 0.000 0.745 217 L CB -0.506 41.458 42.059 -0.157 0.000 0.894 217 L HN 0.253 nan 8.230 nan 0.000 0.432 218 L N -0.181 120.800 121.223 -0.403 0.000 2.013 218 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 218 L C 2.668 179.305 176.870 -0.389 0.000 1.073 218 L CA 1.923 56.497 54.840 -0.444 0.000 0.753 218 L CB -0.672 40.975 42.059 -0.688 0.000 0.890 218 L HN 0.109 nan 8.230 nan 0.000 0.432 219 S N -1.017 114.456 115.700 -0.378 0.000 2.359 219 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 219 S C 1.909 176.243 174.600 -0.445 0.000 1.035 219 S CA 1.794 59.773 58.200 -0.368 0.000 1.018 219 S CB -0.280 62.766 63.200 -0.256 0.000 0.876 219 S HN 0.384 nan 8.310 nan 0.000 0.448 220 M N 1.487 120.872 119.600 -0.358 0.000 2.059 220 M HA -0.105 4.375 4.480 -0.000 0.000 0.259 220 M C 2.307 178.377 176.300 -0.384 0.000 1.072 220 M CA 1.540 56.673 55.300 -0.279 0.000 1.117 220 M CB -1.682 30.792 32.600 -0.209 0.000 1.320 220 M HN 0.377 nan 8.290 nan 0.000 0.408 221 Q N -0.939 118.678 119.800 -0.304 0.000 2.045 221 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 221 Q C 2.432 178.259 176.000 -0.288 0.000 0.991 221 Q CA 1.993 57.647 55.803 -0.248 0.000 0.851 221 Q CB -0.608 28.005 28.738 -0.208 0.000 0.911 221 Q HN 0.601 nan 8.270 nan 0.000 0.418 222 C N 0.258 119.346 119.300 -0.353 0.000 2.457 222 C HA 0.005 4.464 4.460 -0.000 0.000 0.278 222 C C 2.751 177.425 174.990 -0.526 0.000 1.309 222 C CA 0.839 59.672 59.018 -0.308 0.000 1.735 222 C CB -1.325 26.237 27.740 -0.296 0.000 1.992 222 C HN 0.711 nan 8.230 nan 0.000 0.493 223 G N 0.044 108.232 108.800 -1.021 0.000 2.446 223 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 223 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 223 G C 1.918 176.202 174.900 -1.026 0.000 1.168 223 G CA 1.287 45.310 45.100 -1.796 0.000 0.771 223 G HN 0.560 nan 8.290 nan 0.000 0.551 224 S N -0.236 115.042 115.700 -0.703 0.000 2.343 224 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 224 S C 1.982 176.527 174.600 -0.092 0.000 1.033 224 S CA 1.352 59.442 58.200 -0.184 0.000 1.014 224 S CB -0.533 62.609 63.200 -0.097 0.000 0.915 224 S HN 0.491 nan 8.310 nan 0.000 0.435 225 Y N 2.307 122.486 120.300 -0.202 0.000 2.069 225 Y HA -0.249 4.301 4.550 0.000 0.000 0.278 225 Y C 2.226 178.143 175.900 0.028 0.000 1.175 225 Y CA 1.933 59.996 58.100 -0.061 0.000 1.134 225 Y CB -0.705 37.721 38.460 -0.058 0.000 0.965 225 Y HN 0.327 nan 8.280 nan 0.000 0.498 226 Q N -0.876 118.697 119.800 -0.379 0.000 2.389 226 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 226 Q C 0.997 176.645 176.000 -0.587 0.000 0.944 226 Q CA 1.101 56.408 55.803 -0.825 0.000 0.908 226 Q CB -0.020 28.325 28.738 -0.655 0.000 1.002 226 Q HN 0.607 nan 8.270 nan 0.000 0.493 227 N N -0.914 117.655 118.700 -0.218 0.000 2.184 227 N HA 0.130 4.869 4.740 -0.000 0.000 0.206 227 N C 0.254 175.753 175.510 -0.018 0.000 1.151 227 N CA 0.423 53.473 53.050 0.001 0.000 0.878 227 N CB 1.464 40.031 38.487 0.132 0.000 1.014 227 N HN 0.218 nan 8.380 nan 0.000 0.512 228 G N 0.310 109.098 108.800 -0.020 0.000 2.221 228 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.265 228 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.265 228 G C -0.094 174.790 174.900 -0.026 0.000 1.041 228 G CA 0.354 45.441 45.100 -0.021 0.000 0.807 228 G HN 0.523 nan 8.290 nan 0.000 0.502 229 A N -0.698 122.133 122.820 0.017 0.000 2.318 229 A HA 0.701 5.020 4.320 -0.000 0.000 0.324 229 A C 0.060 177.696 177.584 0.087 0.000 1.170 229 A CA -0.785 51.316 52.037 0.107 0.000 0.810 229 A CB 0.794 19.935 19.000 0.235 0.000 1.198 229 A HN 0.585 nan 8.150 nan 0.000 0.484 230 W N 1.987 123.348 121.300 0.101 0.000 2.181 230 W HA 0.402 5.062 4.660 -0.001 0.000 0.335 230 W C 0.964 177.576 176.519 0.155 0.000 1.310 230 W CA 1.246 58.653 57.345 0.102 0.000 1.226 230 W CB 0.881 30.377 29.460 0.059 0.000 1.155 230 W HN 0.859 nan 8.180 nan 0.000 0.565 231 S N 1.414 117.365 115.700 0.419 0.000 2.651 231 S HA 0.951 5.421 4.470 -0.000 0.000 0.279 231 S C -1.023 173.782 174.600 0.342 0.000 1.148 231 S CA -0.952 57.482 58.200 0.389 0.000 0.837 231 S CB 2.103 65.623 63.200 0.534 0.000 1.138 231 S HN 1.025 nan 8.310 nan 0.000 0.478 232 A N 0.138 123.163 122.820 0.342 0.000 2.517 232 A HA 0.881 5.201 4.320 -0.000 0.000 0.297 232 A C -0.747 177.069 177.584 0.387 0.000 1.050 232 A CA -0.359 51.861 52.037 0.304 0.000 0.694 232 A CB 1.180 20.314 19.000 0.222 0.000 1.277 232 A HN 1.986 nan 8.150 nan 0.000 0.400 233 A N 1.381 124.464 122.820 0.437 0.000 2.340 233 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 233 A C 0.028 177.949 177.584 0.562 0.000 1.195 233 A CA 0.167 52.573 52.037 0.615 0.000 0.769 233 A CB 0.721 20.177 19.000 0.760 0.000 1.163 233 A HN 2.299 nan 8.150 nan 0.000 0.472 234 A N 2.363 125.394 122.820 0.352 0.000 2.260 234 A HA 0.681 5.001 4.320 -0.000 0.000 0.312 234 A C 0.590 178.052 177.584 -0.202 0.000 1.321 234 A CA 0.203 52.317 52.037 0.127 0.000 0.928 234 A CB 0.158 19.208 19.000 0.083 0.000 1.158 234 A HN 1.477 nan 8.150 nan 0.000 0.542 235 G N 1.222 109.690 108.800 -0.553 0.000 2.410 235 G HA2 0.514 4.474 3.960 -0.000 0.000 0.330 235 G HA3 0.514 4.474 3.960 -0.000 0.000 0.330 235 G C -0.348 174.245 174.900 -0.511 0.000 1.142 235 G CA -0.683 43.641 45.100 -1.293 0.000 0.902 235 G HN 0.806 nan 8.290 nan 0.000 0.491 236 K N 0.301 120.449 120.400 -0.420 0.000 2.213 236 K HA 0.564 4.883 4.320 -0.000 0.000 0.270 236 K C -0.077 176.406 176.600 -0.195 0.000 1.002 236 K CA -0.642 55.523 56.287 -0.204 0.000 0.868 236 K CB 1.339 33.769 32.500 -0.116 0.000 1.093 236 K HN 0.495 nan 8.250 nan 0.000 0.454 237 V N 0.748 120.591 119.914 -0.118 0.000 3.155 237 V HA 0.948 5.068 4.120 -0.000 0.000 0.313 237 V C 0.278 176.346 176.094 -0.043 0.000 1.162 237 V CA 0.163 62.411 62.300 -0.086 0.000 1.048 237 V CB 0.770 32.553 31.823 -0.067 0.000 1.092 237 V HN 1.088 nan 8.190 nan 0.000 0.447 238 G N 0.946 109.730 108.800 -0.027 0.000 2.681 238 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.220 238 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.220 238 G C -0.572 174.328 174.900 0.001 0.000 1.353 238 G CA 0.185 45.281 45.100 -0.006 0.000 0.872 238 G HN 1.972 nan 8.290 nan 0.000 0.557 239 M N 1.318 120.929 119.600 0.018 0.000 2.094 239 M HA 0.605 5.084 4.480 -0.000 0.000 0.348 239 M C -0.070 176.255 176.300 0.041 0.000 1.267 239 M CA 0.011 55.330 55.300 0.032 0.000 1.125 239 M CB 0.604 33.228 32.600 0.041 0.000 1.527 239 M HN 0.523 nan 8.290 nan 0.000 0.447 240 E N 4.052 124.275 120.200 0.038 0.000 2.182 240 E HA 0.200 4.550 4.350 -0.000 0.000 0.258 240 E C -0.715 175.936 176.600 0.086 0.000 0.879 240 E CA -0.134 56.301 56.400 0.058 0.000 0.754 240 E CB 0.639 30.358 29.700 0.032 0.000 1.162 240 E HN 0.665 nan 8.360 nan 0.000 0.419 241 E N 2.717 123.002 120.200 0.140 0.000 2.252 241 E HA -0.280 4.070 4.350 -0.000 0.000 0.218 241 E C 0.604 177.311 176.600 0.179 0.000 1.253 241 E CA 1.123 57.650 56.400 0.212 0.000 0.705 241 E CB -1.676 28.236 29.700 0.353 0.000 1.172 241 E HN 1.093 nan 8.360 nan 0.000 0.369 242 G N -1.180 107.701 108.800 0.135 0.000 2.284 242 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.247 242 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.247 242 G C 0.504 175.479 174.900 0.125 0.000 1.012 242 G CA 0.315 45.494 45.100 0.131 0.000 0.618 242 G HN 0.747 nan 8.290 nan 0.000 0.521 243 C N 2.955 122.309 119.300 0.091 0.000 2.255 243 C HA 0.773 5.233 4.460 -0.000 0.000 0.326 243 C C 0.872 175.883 174.990 0.036 0.000 1.258 243 C CA -1.006 58.053 59.018 0.068 0.000 1.676 243 C CB -0.197 27.480 27.740 -0.105 0.000 2.314 243 C HN 0.473 nan 8.230 nan 0.000 0.509 244 M N 6.722 126.370 119.600 0.081 0.000 2.184 244 M HA 0.397 4.877 4.480 -0.000 0.000 0.351 244 M C -0.662 175.654 176.300 0.027 0.000 1.395 244 M CA -0.149 55.184 55.300 0.055 0.000 1.117 244 M CB 0.032 32.678 32.600 0.077 0.000 1.708 244 M HN 0.571 nan 8.290 nan 0.000 0.468 245 L N 5.160 126.375 121.223 -0.014 0.000 2.307 245 L HA 0.417 4.756 4.340 -0.000 0.000 0.284 245 L C -0.212 176.648 176.870 -0.017 0.000 1.023 245 L CA -1.204 53.611 54.840 -0.041 0.000 0.810 245 L CB 1.523 43.520 42.059 -0.103 0.000 1.231 245 L HN 0.505 nan 8.230 nan 0.000 0.423 246 L N 2.414 123.644 121.223 0.012 0.000 2.559 246 L HA 0.199 4.538 4.340 -0.000 0.000 0.282 246 L C 0.809 177.701 176.870 0.036 0.000 1.232 246 L CA 0.896 55.751 54.840 0.025 0.000 0.885 246 L CB 0.648 42.736 42.059 0.049 0.000 1.131 246 L HN 0.696 nan 8.230 nan 0.000 0.498 247 G N 1.594 110.381 108.800 -0.022 0.000 3.137 247 G HA2 0.201 4.161 3.960 -0.000 0.000 0.163 247 G HA3 0.201 4.161 3.960 -0.000 0.000 0.163 247 G C -0.278 174.729 174.900 0.179 0.000 1.602 247 G CA 0.025 45.136 45.100 0.018 0.000 1.067 247 G HN 0.874 nan 8.290 nan 0.000 0.568 248 H N -0.848 118.327 119.070 0.174 0.000 2.770 248 H HA -0.124 4.432 4.556 -0.001 0.000 0.309 248 H C 0.573 176.125 175.328 0.374 0.000 1.206 248 H CA -0.006 56.184 56.048 0.237 0.000 1.147 248 H CB -2.103 27.812 29.762 0.255 0.000 1.422 248 H HN 0.284 nan 8.280 nan 0.000 0.420 249 S N 0.339 116.297 115.700 0.430 0.000 2.552 249 S HA 0.322 4.792 4.470 -0.000 0.000 0.289 249 S C 1.093 175.895 174.600 0.336 0.000 1.304 249 S CA 0.252 58.708 58.200 0.426 0.000 1.063 249 S CB 0.924 64.272 63.200 0.247 0.000 0.848 249 S HN 0.639 nan 8.310 nan 0.000 0.499 250 C N 2.316 121.816 119.300 0.332 0.000 2.797 250 C HA 0.825 5.284 4.460 -0.000 0.000 0.306 250 C C -0.705 174.412 174.990 0.213 0.000 1.207 250 C CA -1.208 57.942 59.018 0.220 0.000 1.507 250 C CB -0.344 27.488 27.740 0.155 0.000 2.028 250 C HN 0.683 nan 8.230 nan 0.000 0.475 251 I N 1.990 122.667 120.570 0.178 0.000 2.460 251 I HA 0.704 4.873 4.170 -0.000 0.000 0.298 251 I C -0.208 176.027 176.117 0.197 0.000 0.989 251 I CA -0.302 61.121 61.300 0.205 0.000 1.173 251 I CB 1.917 40.035 38.000 0.196 0.000 1.338 251 I HN 0.663 nan 8.210 nan 0.000 0.456 252 V N 4.402 124.456 119.914 0.235 0.000 2.709 252 V HA 0.739 4.859 4.120 -0.000 0.000 0.308 252 V C 0.091 176.270 176.094 0.141 0.000 1.062 252 V CA -0.952 61.437 62.300 0.147 0.000 0.901 252 V CB 1.551 33.428 31.823 0.090 0.000 1.003 252 V HN 0.842 nan 8.190 nan 0.000 0.425 253 A N 5.828 128.598 122.820 -0.083 0.000 2.332 253 A HA 0.651 4.971 4.320 -0.000 0.000 0.258 253 A C -1.230 176.033 177.584 -0.535 0.000 1.087 253 A CA -1.370 50.302 52.037 -0.609 0.000 0.802 253 A CB 0.180 18.872 19.000 -0.513 0.000 1.042 253 A HN 0.688 nan 8.150 nan 0.000 0.489 254 P HA -0.111 nan 4.420 nan 0.000 0.228 254 P C 1.044 178.244 177.300 -0.166 0.000 1.151 254 P CA 1.782 64.635 63.100 -0.412 0.000 0.770 254 P CB -0.260 31.159 31.700 -0.468 0.000 0.786 255 T N -5.588 108.856 114.554 -0.182 0.000 3.081 255 T HA 0.356 4.706 4.350 -0.000 0.000 0.250 255 T C 1.551 176.223 174.700 -0.047 0.000 1.100 255 T CA 0.584 62.661 62.100 -0.038 0.000 1.038 255 T CB -0.537 68.269 68.868 -0.103 0.000 0.962 255 T HN 0.213 nan 8.240 nan 0.000 0.516 256 G N 1.380 110.125 108.800 -0.093 0.000 2.175 256 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 256 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 256 G C -0.296 174.529 174.900 -0.125 0.000 0.982 256 G CA -0.206 44.831 45.100 -0.106 0.000 0.641 256 G HN 0.639 nan 8.290 nan 0.000 0.527 257 E N 0.132 120.261 120.200 -0.120 0.000 2.316 257 E HA 0.453 4.803 4.350 -0.000 0.000 0.275 257 E C 0.514 177.083 176.600 -0.052 0.000 1.029 257 E CA -0.357 55.989 56.400 -0.090 0.000 0.871 257 E CB 1.109 30.760 29.700 -0.083 0.000 1.022 257 E HN 0.412 nan 8.360 nan 0.000 0.418 258 I N 3.651 124.198 120.570 -0.037 0.000 2.363 258 I HA -0.045 4.125 4.170 -0.000 0.000 0.292 258 I C 1.103 177.238 176.117 0.030 0.000 1.075 258 I CA -0.171 61.129 61.300 -0.000 0.000 1.333 258 I CB 0.555 38.542 38.000 -0.022 0.000 1.415 258 I HN 0.459 nan 8.210 nan 0.000 0.502 259 V N 3.101 123.062 119.914 0.079 0.000 3.621 259 V HA 0.623 4.743 4.120 -0.000 0.000 0.285 259 V C 0.597 176.750 176.094 0.099 0.000 1.346 259 V CA 0.150 62.511 62.300 0.101 0.000 1.104 259 V CB -0.363 31.565 31.823 0.174 0.000 0.913 259 V HN 0.729 nan 8.190 nan 0.000 0.432 260 A N 0.405 123.281 122.820 0.094 0.000 2.582 260 A HA 0.813 5.133 4.320 -0.000 0.000 0.297 260 A C -1.763 175.876 177.584 0.091 0.000 1.059 260 A CA -0.407 51.682 52.037 0.088 0.000 0.705 260 A CB 2.005 21.064 19.000 0.097 0.000 1.279 260 A HN 0.644 nan 8.150 nan 0.000 0.404 261 L N 1.449 122.724 121.223 0.087 0.000 2.513 261 L HA 0.735 5.075 4.340 -0.000 0.000 0.261 261 L C 0.273 177.218 176.870 0.124 0.000 0.945 261 L CA 0.262 55.164 54.840 0.103 0.000 0.848 261 L CB 2.399 44.487 42.059 0.049 0.000 1.334 261 L HN 1.082 nan 8.230 nan 0.000 0.407 262 T N -0.537 114.117 114.554 0.167 0.000 2.899 262 T HA 0.450 4.800 4.350 -0.000 0.000 0.295 262 T C 0.687 175.496 174.700 0.182 0.000 1.033 262 T CA 0.241 62.432 62.100 0.153 0.000 1.084 262 T CB 1.047 70.001 68.868 0.143 0.000 0.979 262 T HN 0.769 nan 8.240 nan 0.000 0.532 263 T N -1.785 112.848 114.554 0.132 0.000 2.959 263 T HA 0.214 4.564 4.350 -0.000 0.000 0.254 263 T C 1.161 175.912 174.700 0.085 0.000 1.003 263 T CA 0.198 62.375 62.100 0.128 0.000 0.950 263 T CB -0.169 68.760 68.868 0.102 0.000 1.090 263 T HN 0.938 nan 8.240 nan 0.000 0.503 264 T N 0.377 114.973 114.554 0.070 0.000 2.824 264 T HA 0.625 4.975 4.350 -0.000 0.000 0.277 264 T C 0.317 175.039 174.700 0.036 0.000 0.975 264 T CA -0.925 61.204 62.100 0.047 0.000 0.966 264 T CB 0.801 69.695 68.868 0.042 0.000 1.054 264 T HN 0.156 nan 8.240 nan 0.000 0.533 265 L N 0.977 122.213 121.223 0.023 0.000 3.141 265 L HA 0.458 4.798 4.340 -0.000 0.000 0.263 265 L C 0.209 177.087 176.870 0.013 0.000 1.312 265 L CA -0.226 54.621 54.840 0.011 0.000 1.012 265 L CB -0.259 41.801 42.059 0.003 0.000 1.408 265 L HN 0.768 nan 8.230 nan 0.000 0.559 266 E N -1.245 118.968 120.200 0.021 0.000 2.450 266 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 266 E C -1.120 175.496 176.600 0.026 0.000 0.967 266 E CA -1.084 55.328 56.400 0.021 0.000 0.818 266 E CB 1.279 30.993 29.700 0.024 0.000 1.401 266 E HN -0.058 nan 8.360 nan 0.000 0.450 267 D N 2.102 122.518 120.400 0.027 0.000 2.502 267 D HA 0.011 4.651 4.640 -0.000 0.000 0.249 267 D C -0.564 175.762 176.300 0.044 0.000 1.188 267 D CA 1.129 55.151 54.000 0.036 0.000 0.890 267 D CB 0.303 41.120 40.800 0.030 0.000 1.140 267 D HN 0.302 nan 8.370 nan 0.000 0.505 268 E N 1.251 121.484 120.200 0.055 0.000 2.304 268 E HA 0.391 4.740 4.350 -0.000 0.000 0.277 268 E C -1.777 174.859 176.600 0.060 0.000 0.898 268 E CA -0.771 55.661 56.400 0.055 0.000 0.764 268 E CB 1.445 31.179 29.700 0.056 0.000 1.216 268 E HN 0.059 nan 8.360 nan 0.000 0.419 269 V N 5.993 125.937 119.914 0.050 0.000 2.398 269 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 269 V C 0.214 176.332 176.094 0.040 0.000 1.026 269 V CA -0.528 61.795 62.300 0.039 0.000 0.868 269 V CB 0.920 32.760 31.823 0.027 0.000 0.982 269 V HN 0.585 nan 8.190 nan 0.000 0.443 270 I N 2.604 123.200 120.570 0.043 0.000 2.693 270 I HA 0.989 5.158 4.170 -0.000 0.000 0.303 270 I C -0.137 176.005 176.117 0.042 0.000 1.025 270 I CA -0.365 60.966 61.300 0.052 0.000 1.086 270 I CB 2.572 40.618 38.000 0.076 0.000 1.268 270 I HN 0.655 nan 8.210 nan 0.000 0.440 271 T N 1.569 116.148 114.554 0.043 0.000 2.864 271 T HA 0.900 5.250 4.350 -0.000 0.000 0.299 271 T C -0.895 173.829 174.700 0.041 0.000 1.166 271 T CA -0.546 61.573 62.100 0.032 0.000 1.007 271 T CB 1.895 70.773 68.868 0.016 0.000 1.219 271 T HN 1.470 nan 8.240 nan 0.000 0.506 272 A N 0.803 123.638 122.820 0.025 0.000 2.577 272 A HA 0.849 5.168 4.320 -0.000 0.000 0.297 272 A C -0.252 177.305 177.584 -0.046 0.000 1.060 272 A CA -0.549 51.505 52.037 0.027 0.000 0.697 272 A CB 0.930 19.983 19.000 0.088 0.000 1.281 272 A HN 1.804 nan 8.150 nan 0.000 0.402 273 A N 1.786 124.576 122.820 -0.050 0.000 2.450 273 A HA 0.602 4.921 4.320 -0.000 0.000 0.255 273 A C -0.186 177.196 177.584 -0.336 0.000 1.096 273 A CA 0.202 52.162 52.037 -0.128 0.000 0.778 273 A CB -0.476 18.493 19.000 -0.052 0.000 1.031 273 A HN 0.993 nan 8.150 nan 0.000 0.494 274 L N 1.974 122.863 121.223 -0.556 0.000 2.346 274 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 274 L C -0.603 175.890 176.870 -0.628 0.000 1.007 274 L CA -0.866 53.251 54.840 -1.205 0.000 0.818 274 L CB 2.005 43.258 42.059 -1.344 0.000 1.284 274 L HN 0.683 nan 8.230 nan 0.000 0.424 275 D N 2.223 122.371 120.400 -0.421 0.000 2.440 275 D HA 0.302 4.942 4.640 -0.000 0.000 0.252 275 D C 0.569 176.966 176.300 0.161 0.000 1.180 275 D CA -0.452 53.534 54.000 -0.025 0.000 0.894 275 D CB 1.384 42.264 40.800 0.134 0.000 1.111 275 D HN 0.462 nan 8.370 nan 0.000 0.544 276 L N 2.001 123.250 121.223 0.043 0.000 2.349 276 L HA -0.076 4.264 4.340 -0.000 0.000 0.220 276 L C 1.006 177.990 176.870 0.191 0.000 1.130 276 L CA 0.775 55.698 54.840 0.139 0.000 0.791 276 L CB -0.056 42.023 42.059 0.032 0.000 0.918 276 L HN 0.374 nan 8.230 nan 0.000 0.444 277 D N -0.293 120.199 120.400 0.153 0.000 2.349 277 D HA -0.046 4.593 4.640 -0.000 0.000 0.224 277 D C 2.105 178.489 176.300 0.139 0.000 1.029 277 D CA 0.324 54.394 54.000 0.118 0.000 0.879 277 D CB 0.074 40.921 40.800 0.080 0.000 0.906 277 D HN 0.261 nan 8.370 nan 0.000 0.528 278 R N 0.184 120.821 120.500 0.228 0.000 2.148 278 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 278 R C 2.175 178.507 176.300 0.055 0.000 1.088 278 R CA 0.255 56.450 56.100 0.158 0.000 0.985 278 R CB -0.896 29.542 30.300 0.230 0.000 0.880 278 R HN 0.253 nan 8.270 nan 0.000 0.451 279 C N 0.674 120.021 119.300 0.079 0.000 2.403 279 C HA -0.072 4.388 4.460 -0.000 0.000 0.279 279 C C 2.532 177.524 174.990 0.003 0.000 1.269 279 C CA 0.454 59.477 59.018 0.009 0.000 1.774 279 C CB -0.986 26.783 27.740 0.048 0.000 1.993 279 C HN 0.466 nan 8.230 nan 0.000 0.496 280 R N 1.045 121.561 120.500 0.027 0.000 2.154 280 R HA -0.189 4.151 4.340 -0.000 0.000 0.248 280 R C 1.994 178.344 176.300 0.084 0.000 1.155 280 R CA 1.526 57.639 56.100 0.021 0.000 0.979 280 R CB -0.434 29.887 30.300 0.036 0.000 0.869 280 R HN 0.698 nan 8.270 nan 0.000 0.452 281 E N -0.012 120.244 120.200 0.093 0.000 2.204 281 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 281 E C 1.631 178.307 176.600 0.127 0.000 0.990 281 E CA 0.788 57.264 56.400 0.126 0.000 0.821 281 E CB 0.147 29.860 29.700 0.021 0.000 0.750 281 E HN 0.205 nan 8.360 nan 0.000 0.477 282 L N -0.301 120.954 121.223 0.054 0.000 2.349 282 L HA 0.078 4.418 4.340 -0.000 0.000 0.200 282 L C 2.074 178.954 176.870 0.016 0.000 1.064 282 L CA 0.727 55.581 54.840 0.023 0.000 0.821 282 L CB -0.780 41.326 42.059 0.078 0.000 1.027 282 L HN 0.006 nan 8.230 nan 0.000 0.476 283 R N 0.710 121.179 120.500 -0.052 0.000 2.235 283 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 283 R C 1.380 177.571 176.300 -0.182 0.000 1.059 283 R CA 0.530 56.525 56.100 -0.175 0.000 0.997 283 R CB -0.065 30.098 30.300 -0.229 0.000 0.884 283 R HN 0.499 nan 8.270 nan 0.000 0.462 284 E N -1.014 119.066 120.200 -0.201 0.000 2.481 284 E HA 0.058 4.408 4.350 -0.000 0.000 0.198 284 E C 0.395 176.602 176.600 -0.654 0.000 1.027 284 E CA 0.031 56.179 56.400 -0.420 0.000 0.900 284 E CB 0.469 29.867 29.700 -0.504 0.000 0.993 284 E HN 0.386 nan 8.360 nan 0.000 0.482 285 H N -0.640 118.417 119.070 -0.022 0.000 5.260 285 H HA 0.141 4.697 4.556 -0.000 0.000 0.088 285 H C 1.731 177.100 175.328 0.068 0.000 1.309 285 H CA -0.369 55.682 56.048 0.006 0.000 0.380 285 H CB -0.449 29.290 29.762 -0.038 0.000 1.656 285 H HN -0.057 nan 8.280 nan 0.000 0.116 286 I N 0.783 121.378 120.570 0.042 0.000 2.361 286 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 286 I C 0.274 176.333 176.117 -0.097 0.000 1.133 286 I CA 1.514 62.690 61.300 -0.208 0.000 1.413 286 I CB 0.107 37.755 38.000 -0.586 0.000 1.073 286 I HN 0.055 nan 8.210 nan 0.000 0.424 287 F N 0.720 120.743 119.950 0.122 0.000 2.928 287 F HA 0.309 4.836 4.527 -0.000 0.000 0.337 287 F C 0.404 176.226 175.800 0.036 0.000 1.259 287 F CA -1.208 56.869 58.000 0.129 0.000 1.267 287 F CB -1.143 37.850 39.000 -0.012 0.000 0.986 287 F HN -0.035 nan 8.300 nan 0.000 0.507 288 N N 1.438 120.269 118.700 0.218 0.000 2.410 288 N HA -0.070 4.670 4.740 -0.000 0.000 0.281 288 N C 1.199 176.777 175.510 0.113 0.000 1.241 288 N CA 0.251 53.287 53.050 -0.023 0.000 0.998 288 N CB -0.151 38.204 38.487 -0.220 0.000 1.376 288 N HN 0.012 nan 8.380 nan 0.000 0.490 289 F N 2.442 122.414 119.950 0.035 0.000 2.063 289 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 289 F C 2.156 177.961 175.800 0.007 0.000 1.109 289 F CA 1.257 59.285 58.000 0.047 0.000 1.212 289 F CB -0.884 38.135 39.000 0.032 0.000 0.973 289 F HN 0.442 nan 8.300 nan 0.000 0.480 290 K N 0.613 121.113 120.400 0.167 0.000 2.026 290 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 290 K C 2.120 178.712 176.600 -0.013 0.000 1.048 290 K CA 1.517 57.840 56.287 0.060 0.000 0.929 290 K CB -0.801 31.712 32.500 0.022 0.000 0.713 290 K HN 0.084 nan 8.250 nan 0.000 0.439 291 A N -0.226 122.520 122.820 -0.123 0.000 1.908 291 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 291 A C 1.675 179.144 177.584 -0.191 0.000 1.181 291 A CA 2.133 54.007 52.037 -0.271 0.000 0.627 291 A CB -0.712 17.941 19.000 -0.578 0.000 0.818 291 A HN 0.674 nan 8.150 nan 0.000 0.445 292 H N -2.616 116.530 119.070 0.126 0.000 2.927 292 H HA 0.250 4.806 4.556 -0.000 0.000 0.255 292 H C 0.753 176.160 175.328 0.131 0.000 0.974 292 H CA -0.559 55.568 56.048 0.131 0.000 1.199 292 H CB 0.390 30.253 29.762 0.168 0.000 1.447 292 H HN 0.234 nan 8.280 nan 0.000 0.467 293 R N 1.665 122.305 120.500 0.234 0.000 2.641 293 R HA 0.102 4.442 4.340 -0.000 0.000 0.269 293 R C -0.218 176.115 176.300 0.054 0.000 1.074 293 R CA 0.212 56.425 56.100 0.189 0.000 1.133 293 R CB 0.515 30.898 30.300 0.139 0.000 1.029 293 R HN 0.224 nan 8.270 nan 0.000 0.488 294 Q N 2.028 121.768 119.800 -0.101 0.000 2.928 294 Q HA 0.179 4.519 4.340 -0.000 0.000 0.353 294 Q C -2.142 173.313 176.000 -0.908 0.000 0.870 294 Q CA -1.583 54.032 55.803 -0.313 0.000 0.963 294 Q CB 1.545 30.254 28.738 -0.048 0.000 1.419 294 Q HN 0.433 nan 8.270 nan 0.000 0.396 295 P HA -0.223 nan 4.420 nan 0.000 0.223 295 P C 1.510 178.473 177.300 -0.561 0.000 1.144 295 P CA 1.180 63.784 63.100 -0.826 0.000 0.783 295 P CB 0.312 31.864 31.700 -0.247 0.000 0.771 296 Q N -0.275 119.209 119.800 -0.526 0.000 2.181 296 Q HA -0.222 4.118 4.340 -0.000 0.000 0.205 296 Q C 1.036 176.777 176.000 -0.431 0.000 0.980 296 Q CA 1.909 57.441 55.803 -0.452 0.000 0.862 296 Q CB -1.544 26.902 28.738 -0.487 0.000 0.905 296 Q HN 0.448 nan 8.270 nan 0.000 0.429 297 H N -1.043 117.869 119.070 -0.263 0.000 2.548 297 H HA 0.080 4.636 4.556 -0.000 0.000 0.265 297 H C 0.285 175.677 175.328 0.106 0.000 0.969 297 H CA 0.292 56.287 56.048 -0.088 0.000 1.155 297 H CB 0.269 29.998 29.762 -0.055 0.000 1.394 297 H HN 0.207 nan 8.280 nan 0.000 0.570 298 Y N -0.271 120.063 120.300 0.057 0.000 2.470 298 Y HA 0.232 4.782 4.550 -0.000 0.000 0.284 298 Y C 2.113 178.027 175.900 0.023 0.000 1.188 298 Y CA -0.288 57.829 58.100 0.028 0.000 1.269 298 Y CB -0.602 37.854 38.460 -0.007 0.000 1.094 298 Y HN 0.222 nan 8.280 nan 0.000 0.518 299 G N 0.450 109.338 108.800 0.147 0.000 2.440 299 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 299 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 299 G C 1.680 176.636 174.900 0.094 0.000 1.154 299 G CA 0.702 45.857 45.100 0.091 0.000 0.767 299 G HN 0.362 nan 8.290 nan 0.000 0.552 300 L N 1.052 122.332 121.223 0.096 0.000 2.189 300 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 300 L C 2.604 179.529 176.870 0.092 0.000 1.097 300 L CA 1.130 56.019 54.840 0.081 0.000 0.764 300 L CB -0.369 41.734 42.059 0.073 0.000 0.900 300 L HN 0.329 nan 8.230 nan 0.000 0.436 301 I N -1.223 119.407 120.570 0.100 0.000 2.439 301 I HA -0.171 3.998 4.170 -0.000 0.000 0.251 301 I C 2.243 178.432 176.117 0.120 0.000 1.139 301 I CA 0.966 62.322 61.300 0.093 0.000 1.438 301 I CB -0.570 37.465 38.000 0.058 0.000 1.085 301 I HN 0.281 nan 8.210 nan 0.000 0.427 302 A N 0.146 123.044 122.820 0.131 0.000 2.178 302 A HA 0.044 4.364 4.320 -0.000 0.000 0.211 302 A C 0.883 178.608 177.584 0.235 0.000 1.157 302 A CA 0.116 52.254 52.037 0.169 0.000 0.780 302 A CB -0.318 18.768 19.000 0.142 0.000 0.828 302 A HN 0.329 nan 8.150 nan 0.000 0.476 303 E N -0.507 119.789 120.200 0.161 0.000 2.366 303 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 303 E C -0.564 176.157 176.600 0.202 0.000 1.051 303 E CA -0.131 56.325 56.400 0.095 0.000 0.884 303 E CB 0.601 30.315 29.700 0.023 0.000 1.006 303 E HN 0.527 nan 8.360 nan 0.000 0.417 304 F N 0.000 119.970 119.950 0.033 0.000 2.286 304 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 304 F CA 0.000 58.019 58.000 0.031 0.000 1.383 304 F CB 0.000 39.017 39.000 0.029 0.000 1.145 304 F HN 0.000 nan 8.300 nan 0.000 0.574