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 1mpo_1_B DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQTTGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVAQ QNDWEATDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGLE NIDVGFGKLS LAATRSSEAG DATA SEQUENCE GSSSFASNNI YDYTNETAND VFDVRLAQME INPGGTLELG VDYGRANLRD DATA SEQUENCE NYRLVDGASK DGWLFTAEHT QSVLKGFNKF VVQYATDSMT SQGKGLSQGS DATA SEQUENCE GVAFDNEKFA YNINNNGHML RILDHGAISM GDNWDMMYVG MYQDINWDND DATA SEQUENCE NGTKWWTVGI RPMYKWTPIM STVMEIGYDN VESQRTGDKN NQYKITLAQQ DATA SEQUENCE WQAGDSIWSR PAIRVFATYA KWDEKWGYDY TGNADNNANF GKAVPADFNG DATA SEQUENCE GSFGRGDSDE WTFGAQMEIW W 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.149 176.094 0.091 0.000 1.182 1 V CA 0.000 62.345 62.300 0.075 0.000 1.235 1 V CB 0.000 31.855 31.823 0.053 0.000 1.184 2 D N 4.351 124.815 120.400 0.107 0.000 2.210 2 D HA 0.494 5.135 4.640 0.001 0.000 0.249 2 D C -0.984 175.350 176.300 0.057 0.000 1.062 2 D CA 0.304 54.343 54.000 0.067 0.000 0.891 2 D CB 1.712 42.603 40.800 0.151 0.000 1.186 2 D HN 0.446 nan 8.370 nan 0.000 0.432 3 F N 3.666 123.453 119.950 -0.272 0.000 2.460 3 F HA 0.310 4.838 4.527 0.001 0.000 0.341 3 F C -0.975 174.685 175.800 -0.234 0.000 1.130 3 F CA -0.452 57.492 58.000 -0.094 0.000 0.962 3 F CB 0.657 39.710 39.000 0.087 0.000 1.171 3 F HN 0.243 nan 8.300 nan 0.000 0.436 4 H N 2.670 121.661 119.070 -0.131 0.000 2.908 4 H HA 0.900 5.457 4.556 0.001 0.000 0.350 4 H C 0.109 174.692 175.328 -1.241 0.000 1.217 4 H CA -0.511 55.067 56.048 -0.783 0.000 1.168 4 H CB 1.721 31.229 29.762 -0.424 0.000 1.891 4 H HN 0.826 nan 8.280 nan 0.000 0.566 5 G N -0.727 106.999 108.800 -1.790 0.000 2.399 5 G HA2 0.297 4.257 3.960 0.001 0.000 0.256 5 G HA3 0.297 4.257 3.960 0.001 0.000 0.256 5 G C -2.287 171.935 174.900 -1.131 0.000 1.236 5 G CA -0.442 43.744 45.100 -1.523 0.000 0.914 5 G HN 0.567 nan 8.290 nan 0.000 0.482 6 Y N -0.197 119.751 120.300 -0.587 0.000 2.604 6 Y HA 0.730 5.280 4.550 0.001 0.000 0.331 6 Y C -0.991 175.145 175.900 0.393 0.000 1.158 6 Y CA 0.073 58.248 58.100 0.125 0.000 1.056 6 Y CB 1.505 40.059 38.460 0.158 0.000 1.330 6 Y HN 1.918 nan 8.280 nan 0.000 0.457 7 A N 4.576 127.094 122.820 -0.503 0.000 2.599 7 A HA 0.866 5.186 4.320 0.001 0.000 0.294 7 A C -1.867 175.580 177.584 -0.228 0.000 1.055 7 A CA -0.742 51.235 52.037 -0.101 0.000 0.683 7 A CB 1.730 20.806 19.000 0.128 0.000 1.278 7 A HN 1.053 nan 8.150 nan 0.000 0.412 8 R N -0.115 120.418 120.500 0.055 0.000 2.566 8 R HA 0.860 5.200 4.340 0.001 0.000 0.271 8 R C -1.063 175.311 176.300 0.124 0.000 1.071 8 R CA -0.101 56.065 56.100 0.110 0.000 0.915 8 R CB 1.742 32.193 30.300 0.251 0.000 1.228 8 R HN 1.436 nan 8.270 nan 0.000 0.449 9 S N 1.010 116.762 115.700 0.088 0.000 2.547 9 S HA 0.877 5.348 4.470 0.001 0.000 0.270 9 S C -1.093 173.546 174.600 0.065 0.000 1.150 9 S CA 0.141 58.382 58.200 0.067 0.000 0.850 9 S CB 1.855 65.077 63.200 0.036 0.000 1.118 9 S HN 1.243 nan 8.310 nan 0.000 0.461 10 G N 1.481 110.310 108.800 0.049 0.000 2.427 10 G HA2 0.580 4.540 3.960 0.001 0.000 0.306 10 G HA3 0.580 4.540 3.960 0.001 0.000 0.306 10 G C -2.046 172.851 174.900 -0.004 0.000 1.280 10 G CA -0.114 45.023 45.100 0.061 0.000 0.837 10 G HN 1.279 nan 8.290 nan 0.000 0.482 11 I N -0.274 120.279 120.570 -0.029 0.000 2.656 11 I HA 0.776 4.946 4.170 0.001 0.000 0.292 11 I C -0.080 175.846 176.117 -0.317 0.000 1.144 11 I CA -0.449 60.710 61.300 -0.235 0.000 1.038 11 I CB 1.993 39.819 38.000 -0.291 0.000 1.244 11 I HN 1.093 nan 8.210 nan 0.000 0.420 12 G N 5.748 114.226 108.800 -0.536 0.000 2.725 12 G HA2 0.599 4.559 3.960 0.001 0.000 0.288 12 G HA3 0.599 4.559 3.960 0.001 0.000 0.288 12 G C -2.319 172.097 174.900 -0.806 0.000 1.399 12 G CA -0.519 44.325 45.100 -0.426 0.000 0.859 12 G HN 0.561 nan 8.290 nan 0.000 0.479 13 W N -0.139 120.846 121.300 -0.525 0.000 3.032 13 W HA 0.472 5.133 4.660 0.001 0.000 0.335 13 W C -0.769 175.306 176.519 -0.741 0.000 1.154 13 W CA -0.562 56.360 57.345 -0.704 0.000 1.204 13 W CB 2.482 31.307 29.460 -1.058 0.000 1.416 13 W HN 0.407 nan 8.180 nan 0.000 0.521 14 T N 1.495 115.900 114.554 -0.248 0.000 2.799 14 T HA 0.228 4.578 4.350 0.001 0.000 0.286 14 T C 1.289 175.760 174.700 -0.383 0.000 0.973 14 T CA 0.153 62.106 62.100 -0.245 0.000 1.035 14 T CB 1.674 70.484 68.868 -0.098 0.000 0.932 14 T HN 0.622 nan 8.240 nan 0.000 0.469 15 G N 2.426 110.767 108.800 -0.766 0.000 2.599 15 G HA2 -0.292 3.669 3.960 0.001 0.000 0.219 15 G HA3 -0.292 3.669 3.960 0.001 0.000 0.219 15 G C 1.857 176.535 174.900 -0.370 0.000 1.193 15 G CA 1.463 45.739 45.100 -1.374 0.000 0.778 15 G HN 0.773 nan 8.290 nan 0.000 0.589 16 S N -0.196 115.406 115.700 -0.164 0.000 2.507 16 S HA 0.406 4.877 4.470 0.001 0.000 0.235 16 S C 0.977 175.591 174.600 0.024 0.000 0.988 16 S CA 1.019 59.231 58.200 0.020 0.000 0.944 16 S CB -0.209 63.032 63.200 0.068 0.000 0.762 16 S HN 1.735 nan 8.310 nan 0.000 0.526 17 G N -1.457 107.337 108.800 -0.010 0.000 2.307 17 G HA2 0.516 4.476 3.960 0.001 0.000 0.348 17 G HA3 0.516 4.476 3.960 0.001 0.000 0.348 17 G C 0.063 174.969 174.900 0.010 0.000 1.603 17 G CA -0.328 44.785 45.100 0.021 0.000 0.961 17 G HN 1.596 nan 8.290 nan 0.000 0.686 18 G N 0.205 109.024 108.800 0.032 0.000 2.804 18 G HA2 0.277 4.238 3.960 0.001 0.000 0.230 18 G HA3 0.277 4.238 3.960 0.001 0.000 0.230 18 G C 0.246 175.117 174.900 -0.049 0.000 1.386 18 G CA 0.845 45.949 45.100 0.006 0.000 0.875 18 G HN 2.055 nan 8.290 nan 0.000 0.557 19 E N 0.126 120.262 120.200 -0.106 0.000 2.442 19 E HA 0.365 4.715 4.350 0.001 0.000 0.260 19 E C 0.967 177.451 176.600 -0.193 0.000 1.148 19 E CA 0.181 56.456 56.400 -0.208 0.000 0.976 19 E CB 0.356 29.936 29.700 -0.200 0.000 0.967 19 E HN 0.792 nan 8.360 nan 0.000 0.454 20 Q N 0.684 120.335 119.800 -0.247 0.000 2.315 20 Q HA -0.087 4.254 4.340 0.001 0.000 0.289 20 Q C -0.705 175.184 176.000 -0.185 0.000 1.044 20 Q CA 0.434 56.124 55.803 -0.188 0.000 0.920 20 Q CB 0.515 29.167 28.738 -0.142 0.000 1.214 20 Q HN 0.478 nan 8.270 nan 0.000 0.392 21 Q N 1.795 121.456 119.800 -0.231 0.000 2.301 21 Q HA 0.490 4.831 4.340 0.001 0.000 0.267 21 Q C -1.322 174.246 176.000 -0.720 0.000 1.035 21 Q CA -0.814 54.767 55.803 -0.370 0.000 0.856 21 Q CB 2.260 30.811 28.738 -0.311 0.000 1.337 21 Q HN 0.699 nan 8.270 nan 0.000 0.450 22 c N 1.350 119.526 118.600 -0.706 0.000 2.435 22 c HA 0.645 5.216 4.570 0.001 0.000 0.333 22 c C -1.081 172.500 174.090 -0.848 0.000 1.202 22 c CA -0.691 55.182 56.329 -0.760 0.000 1.830 22 c CB 0.153 42.454 42.510 -0.348 0.000 2.326 22 c HN 0.631 nan 8.230 nan 0.000 0.507 23 F N 2.004 121.896 119.950 -0.098 0.000 2.449 23 F HA 0.590 5.117 4.527 0.001 0.000 0.342 23 F C 0.156 175.859 175.800 -0.160 0.000 1.127 23 F CA -0.427 57.460 58.000 -0.189 0.000 0.975 23 F CB 0.865 39.775 39.000 -0.149 0.000 1.146 23 F HN 0.497 nan 8.300 nan 0.000 0.444 24 Q N 1.791 121.546 119.800 -0.074 0.000 2.285 24 Q HA 0.366 4.706 4.340 0.001 0.000 0.269 24 Q C -0.925 174.975 176.000 -0.167 0.000 1.030 24 Q CA -0.590 55.159 55.803 -0.091 0.000 0.788 24 Q CB 2.021 30.690 28.738 -0.116 0.000 1.266 24 Q HN 0.669 nan 8.270 nan 0.000 0.438 25 T N 3.021 117.495 114.554 -0.134 0.000 2.871 25 T HA 0.034 4.384 4.350 0.001 0.000 0.296 25 T C -0.160 174.383 174.700 -0.263 0.000 0.998 25 T CA 0.513 62.501 62.100 -0.186 0.000 1.162 25 T CB 0.350 69.150 68.868 -0.113 0.000 0.947 25 T HN 0.523 nan 8.240 nan 0.000 0.536 26 T N 3.932 118.295 114.554 -0.318 0.000 2.829 26 T HA 0.376 4.726 4.350 0.001 0.000 0.293 26 T C 1.533 175.969 174.700 -0.440 0.000 0.970 26 T CA 0.862 62.749 62.100 -0.355 0.000 1.168 26 T CB 0.260 68.863 68.868 -0.442 0.000 0.911 26 T HN 0.945 nan 8.240 nan 0.000 0.535 27 G N 2.539 111.197 108.800 -0.237 0.000 2.258 27 G HA2 -0.115 3.845 3.960 0.001 0.000 0.233 27 G HA3 -0.115 3.845 3.960 0.001 0.000 0.233 27 G C 0.337 174.974 174.900 -0.439 0.000 1.006 27 G CA -0.123 44.900 45.100 -0.128 0.000 0.620 27 G HN 1.143 nan 8.290 nan 0.000 0.511 28 A N 0.241 122.686 122.820 -0.624 0.000 2.388 28 A HA 0.668 4.989 4.320 0.001 0.000 0.257 28 A C 0.982 177.965 177.584 -1.003 0.000 1.095 28 A CA 0.785 52.085 52.037 -1.228 0.000 0.791 28 A CB 0.376 18.983 19.000 -0.654 0.000 1.029 28 A HN 0.450 nan 8.150 nan 0.000 0.489 29 Q N 0.392 119.299 119.800 -1.488 0.000 2.365 29 Q HA 0.119 4.460 4.340 0.001 0.000 0.203 29 Q C 0.117 176.001 176.000 -0.194 0.000 0.929 29 Q CA 0.605 56.054 55.803 -0.590 0.000 0.948 29 Q CB 0.027 28.582 28.738 -0.305 0.000 1.043 29 Q HN 0.883 nan 8.270 nan 0.000 0.505 30 S N -0.226 115.385 115.700 -0.149 0.000 2.672 30 S HA 0.635 5.106 4.470 0.001 0.000 0.271 30 S C -1.335 173.254 174.600 -0.017 0.000 1.171 30 S CA -1.136 57.071 58.200 0.010 0.000 0.817 30 S CB 1.867 65.118 63.200 0.085 0.000 1.150 30 S HN 0.177 nan 8.310 nan 0.000 0.478 31 K N -0.495 119.867 120.400 -0.064 0.000 2.509 31 K HA 0.529 4.849 4.320 0.001 0.000 0.266 31 K C -1.952 174.550 176.600 -0.164 0.000 0.987 31 K CA -0.978 55.286 56.287 -0.038 0.000 0.868 31 K CB 0.888 33.390 32.500 0.003 0.000 1.421 31 K HN 0.586 nan 8.250 nan 0.000 0.444 32 Y N 2.556 122.915 120.300 0.099 0.000 2.480 32 Y HA 0.082 4.632 4.550 0.001 0.000 0.341 32 Y C 1.818 177.760 175.900 0.069 0.000 1.031 32 Y CA -0.071 58.087 58.100 0.097 0.000 1.295 32 Y CB 1.024 39.565 38.460 0.135 0.000 1.162 32 Y HN 0.639 nan 8.280 nan 0.000 0.523 33 R N 2.722 123.251 120.500 0.049 0.000 2.148 33 R HA -0.052 4.289 4.340 0.001 0.000 0.227 33 R C 0.422 176.741 176.300 0.032 0.000 1.103 33 R CA 0.522 56.636 56.100 0.024 0.000 0.983 33 R CB -0.081 30.201 30.300 -0.030 0.000 0.874 33 R HN 0.489 nan 8.270 nan 0.000 0.451 34 L N 2.928 124.199 121.223 0.081 0.000 2.562 34 L HA 0.053 4.393 4.340 0.001 0.000 0.271 34 L C 0.195 177.002 176.870 -0.105 0.000 1.167 34 L CA 1.644 56.500 54.840 0.027 0.000 0.917 34 L CB 0.236 42.362 42.059 0.111 0.000 1.187 34 L HN 0.763 nan 8.230 nan 0.000 0.482 35 G N 4.186 112.724 108.800 -0.438 0.000 2.273 35 G HA2 -0.330 3.630 3.960 0.001 0.000 0.280 35 G HA3 -0.330 3.630 3.960 0.001 0.000 0.280 35 G C 0.335 175.000 174.900 -0.391 0.000 1.047 35 G CA 0.709 45.152 45.100 -1.095 0.000 0.869 35 G HN 0.812 nan 8.290 nan 0.000 0.502 36 N N -0.422 118.145 118.700 -0.221 0.000 2.423 36 N HA 0.145 4.886 4.740 0.001 0.000 0.262 36 N C -0.522 174.930 175.510 -0.096 0.000 1.467 36 N CA -0.060 52.942 53.050 -0.081 0.000 0.847 36 N CB 0.626 39.143 38.487 0.051 0.000 1.394 36 N HN 0.562 nan 8.380 nan 0.000 0.495 37 E N -0.358 119.781 120.200 -0.102 0.000 2.210 37 E HA 0.392 4.743 4.350 0.001 0.000 0.266 37 E C -0.434 176.135 176.600 -0.050 0.000 0.883 37 E CA -0.593 55.774 56.400 -0.055 0.000 0.761 37 E CB 1.544 31.244 29.700 -0.001 0.000 1.156 37 E HN 0.190 nan 8.360 nan 0.000 0.412 38 c N 3.166 121.731 118.600 -0.058 0.000 2.863 38 c HA 0.233 4.803 4.570 0.001 0.000 0.284 38 c C -0.249 173.825 174.090 -0.026 0.000 1.426 38 c CA -0.403 55.890 56.329 -0.060 0.000 1.782 38 c CB -1.381 41.063 42.510 -0.110 0.000 2.554 38 c HN 0.650 nan 8.230 nan 0.000 0.566 39 E N -0.711 119.501 120.200 0.020 0.000 2.410 39 E HA 0.495 4.845 4.350 0.001 0.000 0.269 39 E C -0.734 175.930 176.600 0.106 0.000 0.937 39 E CA -0.572 55.862 56.400 0.057 0.000 0.793 39 E CB 0.232 29.984 29.700 0.087 0.000 1.314 39 E HN -0.164 nan 8.360 nan 0.000 0.447 40 T N 1.236 115.861 114.554 0.118 0.000 2.756 40 T HA 0.370 4.721 4.350 0.001 0.000 0.290 40 T C -1.561 173.274 174.700 0.224 0.000 0.985 40 T CA -0.363 61.818 62.100 0.136 0.000 0.955 40 T CB -0.168 68.743 68.868 0.072 0.000 0.930 40 T HN 0.358 nan 8.240 nan 0.000 0.451 41 Y N 2.667 123.065 120.300 0.163 0.000 2.429 41 Y HA 0.714 5.264 4.550 0.001 0.000 0.342 41 Y C -0.815 175.262 175.900 0.295 0.000 1.004 41 Y CA -1.288 56.942 58.100 0.217 0.000 1.075 41 Y CB 1.393 39.996 38.460 0.238 0.000 1.214 41 Y HN 0.709 nan 8.280 nan 0.000 0.455 42 A N 4.792 127.300 122.820 -0.520 0.000 2.513 42 A HA 0.579 4.899 4.320 0.001 0.000 0.296 42 A C -1.765 175.713 177.584 -0.177 0.000 1.052 42 A CA -0.879 51.069 52.037 -0.149 0.000 0.714 42 A CB 1.194 20.228 19.000 0.058 0.000 1.279 42 A HN 0.744 nan 8.150 nan 0.000 0.397 43 E N 1.828 122.038 120.200 0.018 0.000 2.176 43 E HA 0.566 4.916 4.350 0.001 0.000 0.267 43 E C -1.304 175.382 176.600 0.142 0.000 0.893 43 E CA -0.573 55.856 56.400 0.050 0.000 0.761 43 E CB 2.191 31.921 29.700 0.051 0.000 1.133 43 E HN 0.549 nan 8.360 nan 0.000 0.409 44 L N 3.576 124.926 121.223 0.211 0.000 2.318 44 L HA 0.422 4.763 4.340 0.001 0.000 0.277 44 L C -0.269 176.723 176.870 0.204 0.000 1.008 44 L CA -0.681 54.361 54.840 0.335 0.000 0.846 44 L CB 0.801 43.132 42.059 0.452 0.000 1.220 44 L HN 0.290 nan 8.230 nan 0.000 0.423 45 K N 4.540 125.010 120.400 0.117 0.000 2.130 45 K HA 0.678 4.998 4.320 0.001 0.000 0.268 45 K C -0.836 175.866 176.600 0.170 0.000 0.983 45 K CA -0.524 55.789 56.287 0.044 0.000 0.893 45 K CB 2.186 34.655 32.500 -0.051 0.000 1.066 45 K HN 0.462 nan 8.250 nan 0.000 0.450 46 L N 2.494 123.758 121.223 0.069 0.000 2.442 46 L HA 0.397 4.737 4.340 0.001 0.000 0.261 46 L C -0.002 176.838 176.870 -0.050 0.000 1.000 46 L CA -0.567 54.322 54.840 0.082 0.000 0.882 46 L CB 1.649 43.755 42.059 0.079 0.000 1.207 46 L HN 0.839 nan 8.230 nan 0.000 0.443 47 G N 1.866 110.659 108.800 -0.011 0.000 3.016 47 G HA2 0.733 4.694 3.960 0.001 0.000 0.270 47 G HA3 0.733 4.694 3.960 0.001 0.000 0.270 47 G C -1.547 173.299 174.900 -0.090 0.000 1.352 47 G CA -0.303 44.701 45.100 -0.160 0.000 1.060 47 G HN 0.415 nan 8.290 nan 0.000 0.538 48 Q N -0.911 118.674 119.800 -0.358 0.000 2.599 48 Q HA 0.126 4.467 4.340 0.001 0.000 0.248 48 Q C -1.608 174.271 176.000 -0.201 0.000 0.964 48 Q CA -0.522 55.222 55.803 -0.098 0.000 1.011 48 Q CB 1.818 30.587 28.738 0.050 0.000 1.592 48 Q HN 0.652 nan 8.270 nan 0.000 0.443 49 E N 2.941 123.261 120.200 0.200 0.000 2.166 49 E HA 0.148 4.498 4.350 0.001 0.000 0.279 49 E C 0.641 177.386 176.600 0.242 0.000 1.095 49 E CA 0.045 56.666 56.400 0.369 0.000 0.888 49 E CB 0.754 30.706 29.700 0.420 0.000 1.041 49 E HN 0.511 nan 8.360 nan 0.000 0.414 50 V N 2.530 122.590 119.914 0.243 0.000 3.541 50 V HA 0.253 4.373 4.120 0.001 0.000 0.267 50 V C 0.137 176.451 176.094 0.366 0.000 1.213 50 V CA -0.137 62.295 62.300 0.219 0.000 1.149 50 V CB -0.949 30.934 31.823 0.099 0.000 0.822 50 V HN 0.671 nan 8.190 nan 0.000 0.462 51 W N 0.276 121.688 121.300 0.188 0.000 3.818 51 W HA 0.607 5.267 4.660 0.001 0.000 0.283 51 W C -1.333 175.296 176.519 0.184 0.000 1.265 51 W CA -0.665 56.793 57.345 0.188 0.000 1.226 51 W CB 1.174 30.787 29.460 0.255 0.000 1.281 51 W HN -0.123 nan 8.180 nan 0.000 0.539 52 K N 4.263 124.583 120.400 -0.132 0.000 2.553 52 K HA 0.341 4.662 4.320 0.001 0.000 0.250 52 K C -1.429 174.726 176.600 -0.742 0.000 0.953 52 K CA -0.469 55.649 56.287 -0.282 0.000 0.800 52 K CB 1.995 34.453 32.500 -0.071 0.000 1.243 52 K HN 0.575 nan 8.250 nan 0.000 0.435 53 E N 2.919 122.657 120.200 -0.769 0.000 2.580 53 E HA 0.264 4.614 4.350 0.001 0.000 0.248 53 E C -0.017 176.432 176.600 -0.251 0.000 1.018 53 E CA -0.090 55.959 56.400 -0.585 0.000 0.775 53 E CB 1.453 30.706 29.700 -0.746 0.000 1.378 53 E HN 0.979 nan 8.360 nan 0.000 0.401 54 G N 3.822 112.520 108.800 -0.169 0.000 2.557 54 G HA2 -0.392 3.569 3.960 0.001 0.000 0.292 54 G HA3 -0.392 3.569 3.960 0.001 0.000 0.292 54 G C 0.636 175.498 174.900 -0.064 0.000 1.162 54 G CA 0.544 45.590 45.100 -0.088 0.000 0.964 54 G HN 0.548 nan 8.290 nan 0.000 0.541 55 D N 1.648 122.027 120.400 -0.034 0.000 2.289 55 D HA 0.175 4.816 4.640 0.001 0.000 0.207 55 D C 1.194 177.494 176.300 0.000 0.000 0.966 55 D CA 0.907 54.897 54.000 -0.017 0.000 0.868 55 D CB 0.072 40.867 40.800 -0.008 0.000 0.943 55 D HN 0.508 nan 8.370 nan 0.000 0.514 56 K N 0.333 120.749 120.400 0.026 0.000 2.205 56 K HA 0.470 4.790 4.320 0.001 0.000 0.279 56 K C -0.196 176.527 176.600 0.205 0.000 1.027 56 K CA -0.300 56.060 56.287 0.121 0.000 0.932 56 K CB 1.580 34.251 32.500 0.284 0.000 1.032 56 K HN -0.045 nan 8.250 nan 0.000 0.466 57 S N 1.295 117.108 115.700 0.188 0.000 2.596 57 S HA 0.608 5.078 4.470 0.001 0.000 0.270 57 S C -1.279 173.386 174.600 0.109 0.000 1.155 57 S CA -1.049 57.343 58.200 0.321 0.000 0.827 57 S CB 0.709 64.038 63.200 0.215 0.000 1.130 57 S HN 0.351 nan 8.310 nan 0.000 0.467 58 F N 1.424 121.595 119.950 0.367 0.000 2.477 58 F HA 0.544 5.071 4.527 0.001 0.000 0.335 58 F C -0.775 175.191 175.800 0.276 0.000 1.130 58 F CA -0.600 57.533 58.000 0.221 0.000 0.948 58 F CB 1.533 40.579 39.000 0.077 0.000 1.154 58 F HN 0.743 nan 8.300 nan 0.000 0.439 59 Y N 4.489 124.976 120.300 0.313 0.000 2.360 59 Y HA 0.531 5.081 4.550 0.001 0.000 0.337 59 Y C -1.417 174.661 175.900 0.297 0.000 1.039 59 Y CA -1.707 56.541 58.100 0.248 0.000 1.109 59 Y CB 1.178 39.724 38.460 0.143 0.000 1.201 59 Y HN 0.445 nan 8.280 nan 0.000 0.458 60 F N 6.129 125.727 119.950 -0.586 0.000 2.449 60 F HA 0.462 4.989 4.527 0.001 0.000 0.342 60 F C -1.322 174.199 175.800 -0.465 0.000 1.127 60 F CA -0.808 56.993 58.000 -0.332 0.000 0.975 60 F CB 0.831 39.707 39.000 -0.206 0.000 1.146 60 F HN 0.487 nan 8.300 nan 0.000 0.444 61 D N 3.341 123.390 120.400 -0.584 0.000 2.481 61 D HA 0.561 5.201 4.640 0.001 0.000 0.244 61 D C -0.848 175.019 176.300 -0.722 0.000 1.057 61 D CA 0.070 53.751 54.000 -0.531 0.000 0.848 61 D CB 2.150 42.872 40.800 -0.130 0.000 1.388 61 D HN 0.687 nan 8.370 nan 0.000 0.475 62 T N 0.100 114.296 114.554 -0.597 0.000 2.865 62 T HA 0.659 5.009 4.350 0.001 0.000 0.294 62 T C -0.894 173.555 174.700 -0.419 0.000 1.119 62 T CA -1.019 60.758 62.100 -0.539 0.000 1.007 62 T CB 1.432 70.046 68.868 -0.423 0.000 1.225 62 T HN 0.383 nan 8.240 nan 0.000 0.515 63 N N -0.010 118.392 118.700 -0.496 0.000 2.493 63 N HA 0.504 5.245 4.740 0.001 0.000 0.279 63 N C -2.170 173.154 175.510 -0.311 0.000 1.082 63 N CA -0.651 52.171 53.050 -0.379 0.000 0.963 63 N CB 1.989 40.145 38.487 -0.551 0.000 1.627 63 N HN 0.552 nan 8.380 nan 0.000 0.499 64 V N 2.245 122.100 119.914 -0.100 0.000 2.409 64 V HA 0.720 4.840 4.120 0.001 0.000 0.290 64 V C -0.245 175.772 176.094 -0.129 0.000 1.017 64 V CA -0.530 61.736 62.300 -0.057 0.000 0.841 64 V CB 1.059 32.930 31.823 0.080 0.000 1.003 64 V HN 0.783 nan 8.190 nan 0.000 0.426 65 A N 5.125 127.818 122.820 -0.211 0.000 2.312 65 A HA 0.903 5.224 4.320 0.001 0.000 0.326 65 A C -1.343 176.019 177.584 -0.370 0.000 1.172 65 A CA -0.295 51.626 52.037 -0.192 0.000 0.821 65 A CB 0.706 19.682 19.000 -0.040 0.000 1.166 65 A HN 0.712 nan 8.150 nan 0.000 0.493 66 Y N 0.057 120.290 120.300 -0.111 0.000 2.536 66 Y HA 0.687 5.238 4.550 0.001 0.000 0.347 66 Y C 0.462 176.351 175.900 -0.019 0.000 1.000 66 Y CA -0.587 57.486 58.100 -0.044 0.000 1.051 66 Y CB 2.586 41.017 38.460 -0.048 0.000 1.259 66 Y HN 0.609 nan 8.280 nan 0.000 0.468 67 S N 2.051 117.889 115.700 0.230 0.000 2.536 67 S HA 0.603 5.073 4.470 0.001 0.000 0.246 67 S C -1.406 173.287 174.600 0.156 0.000 1.077 67 S CA -0.613 57.735 58.200 0.248 0.000 1.091 67 S CB -0.273 63.118 63.200 0.318 0.000 1.148 67 S HN 0.689 nan 8.310 nan 0.000 0.447 68 V N 2.415 122.401 119.914 0.119 0.000 3.177 68 V HA 0.984 5.104 4.120 0.001 0.000 0.319 68 V C 1.158 177.283 176.094 0.051 0.000 1.125 68 V CA -0.178 62.162 62.300 0.066 0.000 1.029 68 V CB 1.107 32.948 31.823 0.030 0.000 1.119 68 V HN 0.871 nan 8.190 nan 0.000 0.452 69 A N -0.099 122.737 122.820 0.026 0.000 2.195 69 A HA 0.175 4.495 4.320 0.001 0.000 0.210 69 A C 1.149 178.728 177.584 -0.009 0.000 1.165 69 A CA 0.752 52.793 52.037 0.008 0.000 0.806 69 A CB -0.725 18.275 19.000 -0.001 0.000 0.847 69 A HN 1.763 nan 8.150 nan 0.000 0.482 70 Q N -1.168 118.628 119.800 -0.007 0.000 2.460 70 Q HA -0.246 4.094 4.340 0.001 0.000 0.311 70 Q C -0.643 175.330 176.000 -0.045 0.000 1.396 70 Q CA 1.146 56.935 55.803 -0.023 0.000 0.838 70 Q CB -1.959 26.767 28.738 -0.020 0.000 1.140 70 Q HN 0.506 nan 8.270 nan 0.000 0.415 71 Q N 0.019 119.801 119.800 -0.031 0.000 2.164 71 Q HA 0.392 4.732 4.340 0.001 0.000 0.226 71 Q C -0.179 175.812 176.000 -0.015 0.000 0.813 71 Q CA 0.264 56.043 55.803 -0.040 0.000 0.978 71 Q CB 0.899 29.614 28.738 -0.038 0.000 1.149 71 Q HN 0.579 nan 8.270 nan 0.000 0.489 72 N N -0.429 118.272 118.700 0.003 0.000 3.020 72 N HA 0.015 4.756 4.740 0.001 0.000 0.248 72 N C -0.021 175.509 175.510 0.034 0.000 1.480 72 N CA -0.269 52.799 53.050 0.030 0.000 0.874 72 N CB 1.455 39.980 38.487 0.064 0.000 1.433 72 N HN -0.147 nan 8.380 nan 0.000 0.530 73 D N -0.124 120.315 120.400 0.066 0.000 2.121 73 D HA -0.088 4.552 4.640 0.001 0.000 0.209 73 D C 0.117 176.465 176.300 0.080 0.000 0.981 73 D CA 0.870 54.909 54.000 0.065 0.000 0.875 73 D CB -0.077 40.778 40.800 0.091 0.000 1.016 73 D HN 0.420 nan 8.370 nan 0.000 0.452 74 W N 2.654 123.949 121.300 -0.009 0.000 2.724 74 W HA 0.215 4.875 4.660 0.001 0.000 0.347 74 W C -0.952 175.568 176.519 0.001 0.000 1.338 74 W CA 0.142 57.484 57.345 -0.005 0.000 1.450 74 W CB -0.329 29.129 29.460 -0.003 0.000 1.534 74 W HN 0.163 nan 8.180 nan 0.000 0.508 75 E N 4.834 124.888 120.200 -0.244 0.000 2.331 75 E HA 0.377 4.727 4.350 0.001 0.000 0.243 75 E C -0.109 176.384 176.600 -0.178 0.000 0.925 75 E CA -0.494 55.857 56.400 -0.081 0.000 0.760 75 E CB 1.115 30.792 29.700 -0.040 0.000 1.254 75 E HN 0.397 nan 8.360 nan 0.000 0.419 76 A N 2.680 125.461 122.820 -0.065 0.000 2.445 76 A HA 0.472 4.793 4.320 0.001 0.000 0.242 76 A C 0.322 177.919 177.584 0.022 0.000 1.075 76 A CA 0.311 52.338 52.037 -0.016 0.000 0.777 76 A CB 1.051 20.155 19.000 0.174 0.000 1.013 76 A HN 0.476 nan 8.150 nan 0.000 0.493 77 T N -0.100 114.474 114.554 0.032 0.000 2.749 77 T HA 0.449 4.799 4.350 0.001 0.000 0.310 77 T C -2.109 172.619 174.700 0.046 0.000 1.496 77 T CA -0.646 61.484 62.100 0.051 0.000 1.006 77 T CB 1.227 70.140 68.868 0.075 0.000 1.457 77 T HN 0.521 nan 8.240 nan 0.000 0.497 78 D N 3.449 123.865 120.400 0.026 0.000 2.460 78 D HA 0.439 5.079 4.640 0.001 0.000 0.232 78 D C -1.912 174.360 176.300 -0.046 0.000 1.079 78 D CA -0.907 53.092 54.000 -0.003 0.000 0.864 78 D CB 1.336 42.136 40.800 -0.001 0.000 1.048 78 D HN 0.354 nan 8.370 nan 0.000 0.523 79 P HA 0.270 nan 4.420 nan 0.000 0.271 79 P C -0.911 176.285 177.300 -0.174 0.000 1.218 79 P CA -0.575 62.333 63.100 -0.320 0.000 0.780 79 P CB 1.085 32.425 31.700 -0.598 0.000 0.901 80 A N 3.304 126.037 122.820 -0.146 0.000 2.276 80 A HA 0.323 4.643 4.320 0.001 0.000 0.300 80 A C -0.535 177.065 177.584 0.026 0.000 1.235 80 A CA -0.543 51.475 52.037 -0.031 0.000 0.867 80 A CB -0.404 18.596 19.000 -0.001 0.000 1.137 80 A HN 0.509 nan 8.150 nan 0.000 0.527 81 F N 3.514 123.400 119.950 -0.106 0.000 2.439 81 F HA 0.307 4.835 4.527 0.001 0.000 0.356 81 F C 1.216 176.961 175.800 -0.092 0.000 1.161 81 F CA -0.506 57.431 58.000 -0.105 0.000 1.151 81 F CB 0.549 39.502 39.000 -0.078 0.000 1.222 81 F HN 0.734 nan 8.300 nan 0.000 0.558 82 R N 2.564 122.886 120.500 -0.296 0.000 2.189 82 R HA 0.170 4.510 4.340 0.001 0.000 0.203 82 R C -0.245 175.749 176.300 -0.511 0.000 1.012 82 R CA 0.456 56.374 56.100 -0.304 0.000 1.015 82 R CB 0.320 30.525 30.300 -0.159 0.000 0.938 82 R HN 0.529 nan 8.270 nan 0.000 0.472 83 E N -0.441 119.303 120.200 -0.760 0.000 2.308 83 E HA 0.567 4.917 4.350 0.001 0.000 0.275 83 E C -1.625 174.550 176.600 -0.707 0.000 0.890 83 E CA -0.639 55.366 56.400 -0.658 0.000 0.754 83 E CB 2.452 31.740 29.700 -0.687 0.000 1.207 83 E HN 0.136 nan 8.360 nan 0.000 0.426 84 A N 3.259 125.839 122.820 -0.399 0.000 2.770 84 A HA 0.326 4.647 4.320 0.001 0.000 0.295 84 A C -1.217 176.371 177.584 0.006 0.000 1.256 84 A CA -0.773 51.144 52.037 -0.199 0.000 0.870 84 A CB -0.350 18.659 19.000 0.014 0.000 1.451 84 A HN 0.725 nan 8.150 nan 0.000 0.505 85 N N -0.758 117.944 118.700 0.004 0.000 2.509 85 N HA 0.804 5.545 4.740 0.001 0.000 0.280 85 N C -1.298 174.356 175.510 0.240 0.000 1.306 85 N CA -1.076 52.066 53.050 0.154 0.000 0.782 85 N CB 2.426 41.011 38.487 0.163 0.000 1.493 85 N HN 0.071 nan 8.380 nan 0.000 0.498 86 V N 0.532 120.617 119.914 0.286 0.000 2.531 86 V HA 0.321 4.441 4.120 0.001 0.000 0.301 86 V C -1.027 175.275 176.094 0.347 0.000 1.034 86 V CA -0.543 61.947 62.300 0.316 0.000 0.865 86 V CB 1.385 33.357 31.823 0.248 0.000 0.995 86 V HN 0.686 nan 8.190 nan 0.000 0.424 87 Q N 2.948 122.961 119.800 0.355 0.000 2.322 87 Q HA 0.635 4.975 4.340 0.001 0.000 0.265 87 Q C 0.207 176.353 176.000 0.242 0.000 0.985 87 Q CA -0.499 55.492 55.803 0.312 0.000 0.849 87 Q CB 2.291 31.171 28.738 0.236 0.000 1.274 87 Q HN 0.877 nan 8.270 nan 0.000 0.449 88 G N 2.627 111.503 108.800 0.127 0.000 2.547 88 G HA2 0.330 4.290 3.960 0.001 0.000 0.327 88 G HA3 0.330 4.290 3.960 0.001 0.000 0.327 88 G C -0.650 174.153 174.900 -0.161 0.000 1.118 88 G CA -0.443 44.535 45.100 -0.203 0.000 1.022 88 G HN 0.343 nan 8.290 nan 0.000 0.464 89 K N 2.291 122.604 120.400 -0.145 0.000 2.201 89 K HA 0.218 4.538 4.320 0.001 0.000 0.278 89 K C 0.432 176.975 176.600 -0.095 0.000 1.027 89 K CA -0.525 55.711 56.287 -0.084 0.000 0.909 89 K CB 0.484 32.958 32.500 -0.043 0.000 1.062 89 K HN 0.492 nan 8.250 nan 0.000 0.465 90 N N 2.504 121.154 118.700 -0.083 0.000 2.776 90 N HA -0.197 4.544 4.740 0.001 0.000 0.249 90 N C 0.129 175.593 175.510 -0.077 0.000 1.111 90 N CA 0.582 53.588 53.050 -0.073 0.000 0.711 90 N CB -1.012 37.451 38.487 -0.039 0.000 1.065 90 N HN 0.591 nan 8.380 nan 0.000 0.556 91 L N -0.920 120.233 121.223 -0.116 0.000 2.446 91 L HA 0.142 4.482 4.340 0.001 0.000 0.219 91 L C 0.596 177.416 176.870 -0.084 0.000 1.116 91 L CA 0.601 55.380 54.840 -0.101 0.000 0.844 91 L CB 0.090 42.059 42.059 -0.150 0.000 0.970 91 L HN 0.055 nan 8.230 nan 0.000 0.457 92 I N -0.000 120.477 120.570 -0.155 0.000 2.307 92 I HA 0.065 4.236 4.170 0.001 0.000 0.287 92 I C 1.241 177.190 176.117 -0.281 0.000 1.054 92 I CA 0.047 61.185 61.300 -0.270 0.000 1.218 92 I CB 1.157 38.852 38.000 -0.507 0.000 1.398 92 I HN 0.042 nan 8.210 nan 0.000 0.475 93 E N 5.876 126.028 120.200 -0.081 0.000 2.065 93 E HA -0.228 4.122 4.350 0.001 0.000 0.201 93 E C 0.973 177.622 176.600 0.081 0.000 1.016 93 E CA 1.790 58.220 56.400 0.050 0.000 0.818 93 E CB -0.140 29.664 29.700 0.175 0.000 0.749 93 E HN 0.809 nan 8.360 nan 0.000 0.453 94 W N 0.384 121.692 121.300 0.014 0.000 3.377 94 W HA 0.273 4.934 4.660 0.001 0.000 0.277 94 W C 0.012 176.539 176.519 0.012 0.000 1.311 94 W CA 0.105 57.458 57.345 0.013 0.000 1.703 94 W CB -0.264 29.204 29.460 0.014 0.000 1.095 94 W HN -0.058 nan 8.180 nan 0.000 0.715 95 L N 3.233 124.228 121.223 -0.380 0.000 2.669 95 L HA 0.257 4.598 4.340 0.001 0.000 0.273 95 L C -2.142 174.594 176.870 -0.224 0.000 1.441 95 L CA -1.532 53.087 54.840 -0.367 0.000 0.745 95 L CB 0.912 42.561 42.059 -0.683 0.000 1.044 95 L HN -0.405 nan 8.230 nan 0.000 0.523 96 P HA 0.070 nan 4.420 nan 0.000 0.269 96 P C 0.904 178.163 177.300 -0.068 0.000 1.209 96 P CA 1.118 64.175 63.100 -0.072 0.000 0.776 96 P CB 1.369 33.054 31.700 -0.025 0.000 0.876 97 G N 1.454 110.216 108.800 -0.063 0.000 2.205 97 G HA2 -0.246 3.715 3.960 0.001 0.000 0.261 97 G HA3 -0.246 3.715 3.960 0.001 0.000 0.261 97 G C 0.305 175.167 174.900 -0.064 0.000 0.980 97 G CA 0.412 45.478 45.100 -0.058 0.000 0.632 97 G HN 0.938 nan 8.290 nan 0.000 0.533 98 S N -0.163 115.490 115.700 -0.079 0.000 2.616 98 S HA 0.755 5.225 4.470 0.001 0.000 0.277 98 S C 0.001 174.570 174.600 -0.052 0.000 1.234 98 S CA 0.588 58.746 58.200 -0.069 0.000 1.028 98 S CB 2.154 65.292 63.200 -0.105 0.000 0.988 98 S HN 0.601 nan 8.310 nan 0.000 0.522 99 T N 2.836 117.393 114.554 0.006 0.000 2.888 99 T HA 0.583 4.933 4.350 0.001 0.000 0.284 99 T C -0.105 174.676 174.700 0.135 0.000 1.017 99 T CA -0.722 61.415 62.100 0.061 0.000 1.022 99 T CB 0.818 69.751 68.868 0.107 0.000 1.013 99 T HN 0.782 nan 8.240 nan 0.000 0.465 100 I N 0.594 121.233 120.570 0.116 0.000 2.382 100 I HA 0.734 4.904 4.170 0.001 0.000 0.286 100 I C -0.889 175.353 176.117 0.208 0.000 1.002 100 I CA -0.956 60.398 61.300 0.089 0.000 1.135 100 I CB 1.228 39.224 38.000 -0.007 0.000 1.288 100 I HN 0.681 nan 8.210 nan 0.000 0.448 101 W N 4.845 126.166 121.300 0.036 0.000 2.882 101 W HA 0.919 5.579 4.660 0.001 0.000 0.345 101 W C -1.482 175.058 176.519 0.035 0.000 1.125 101 W CA -1.545 55.835 57.345 0.058 0.000 1.167 101 W CB 1.381 30.884 29.460 0.071 0.000 1.431 101 W HN 0.759 nan 8.180 nan 0.000 0.543 102 A N 1.417 124.359 122.820 0.203 0.000 2.574 102 A HA 0.924 5.244 4.320 0.001 0.000 0.297 102 A C -0.237 177.462 177.584 0.192 0.000 1.062 102 A CA -0.047 51.986 52.037 -0.005 0.000 0.686 102 A CB 1.227 20.185 19.000 -0.069 0.000 1.285 102 A HN 2.115 nan 8.150 nan 0.000 0.403 103 G N 0.198 109.093 108.800 0.158 0.000 2.347 103 G HA2 0.343 4.304 3.960 0.001 0.000 0.341 103 G HA3 0.343 4.304 3.960 0.001 0.000 0.341 103 G C -0.971 174.034 174.900 0.176 0.000 1.287 103 G CA -0.445 44.750 45.100 0.159 0.000 0.984 103 G HN 0.934 nan 8.290 nan 0.000 0.526 104 K N 0.305 120.755 120.400 0.084 0.000 2.285 104 K HA 0.633 4.954 4.320 0.001 0.000 0.286 104 K C 0.244 176.827 176.600 -0.028 0.000 1.072 104 K CA -0.447 55.856 56.287 0.027 0.000 0.913 104 K CB 0.586 33.062 32.500 -0.041 0.000 1.067 104 K HN 0.756 nan 8.250 nan 0.000 0.479 105 R N 4.039 124.551 120.500 0.019 0.000 2.668 105 R HA 0.279 4.620 4.340 0.001 0.000 0.272 105 R C -1.375 174.934 176.300 0.015 0.000 1.019 105 R CA -0.695 55.352 56.100 -0.088 0.000 0.894 105 R CB 0.624 30.836 30.300 -0.147 0.000 1.228 105 R HN 0.302 nan 8.270 nan 0.000 0.460 106 F N 3.918 123.762 119.950 -0.177 0.000 2.494 106 F HA 0.158 4.686 4.527 0.001 0.000 0.351 106 F C -0.237 175.448 175.800 -0.192 0.000 1.205 106 F CA -0.428 57.466 58.000 -0.177 0.000 1.125 106 F CB -0.290 38.590 39.000 -0.200 0.000 1.268 106 F HN 0.373 nan 8.300 nan 0.000 0.593 107 Y N 3.943 124.152 120.300 -0.152 0.000 2.425 107 Y HA 0.209 4.759 4.550 0.001 0.000 0.347 107 Y C 0.705 176.436 175.900 -0.282 0.000 0.976 107 Y CA -0.713 57.212 58.100 -0.292 0.000 1.190 107 Y CB 0.296 38.589 38.460 -0.280 0.000 1.136 107 Y HN 0.622 nan 8.280 nan 0.000 0.517 108 Q N 4.969 124.372 119.800 -0.661 0.000 2.413 108 Q HA -0.288 4.053 4.340 0.001 0.000 0.364 108 Q C -0.456 175.311 176.000 -0.388 0.000 1.359 108 Q CA 0.639 56.072 55.803 -0.617 0.000 1.097 108 Q CB -1.025 27.208 28.738 -0.841 0.000 1.286 108 Q HN 0.671 nan 8.270 nan 0.000 0.358 109 R N 0.891 121.227 120.500 -0.273 0.000 2.410 109 R HA 0.404 4.745 4.340 0.001 0.000 0.288 109 R C -0.537 175.658 176.300 -0.174 0.000 1.051 109 R CA -0.430 55.577 56.100 -0.156 0.000 1.021 109 R CB 1.014 31.275 30.300 -0.064 0.000 1.032 109 R HN 0.282 nan 8.270 nan 0.000 0.481 110 H N 1.507 120.293 119.070 -0.472 0.000 2.457 110 H HA 0.283 4.839 4.556 0.001 0.000 0.335 110 H C -0.587 174.090 175.328 -1.086 0.000 1.115 110 H CA -0.791 54.835 56.048 -0.702 0.000 1.219 110 H CB 1.924 31.222 29.762 -0.773 0.000 1.471 110 H HN 0.760 nan 8.280 nan 0.000 0.491 111 D N 0.988 120.909 120.400 -0.798 0.000 2.596 111 D HA 0.194 4.834 4.640 0.001 0.000 0.262 111 D C -1.112 175.025 176.300 -0.272 0.000 1.210 111 D CA -0.709 52.807 54.000 -0.805 0.000 0.873 111 D CB 1.848 41.753 40.800 -1.492 0.000 1.408 111 D HN 0.206 nan 8.370 nan 0.000 0.441 112 V N 1.694 121.501 119.914 -0.179 0.000 2.304 112 V HA 0.088 4.209 4.120 0.001 0.000 0.278 112 V C 1.254 177.350 176.094 0.003 0.000 1.018 112 V CA -0.492 61.741 62.300 -0.111 0.000 0.814 112 V CB 0.393 32.133 31.823 -0.138 0.000 1.021 112 V HN 0.762 nan 8.190 nan 0.000 0.440 113 H N 5.574 124.691 119.070 0.078 0.000 2.289 113 H HA -0.283 4.274 4.556 0.001 0.000 0.294 113 H C 2.097 177.471 175.328 0.077 0.000 1.095 113 H CA 3.135 59.243 56.048 0.100 0.000 1.256 113 H CB 0.161 30.070 29.762 0.245 0.000 1.359 113 H HN 0.691 nan 8.280 nan 0.000 0.487 114 M N 0.026 119.641 119.600 0.025 0.000 2.374 114 M HA -0.018 4.462 4.480 0.001 0.000 0.264 114 M C 1.589 177.826 176.300 -0.105 0.000 1.067 114 M CA 2.054 57.352 55.300 -0.004 0.000 1.103 114 M CB -0.207 32.492 32.600 0.166 0.000 1.402 114 M HN 0.478 nan 8.290 nan 0.000 0.444 115 I N -3.044 117.436 120.570 -0.151 0.000 3.976 115 I HA 0.324 4.495 4.170 0.001 0.000 0.337 115 I C -0.192 175.870 176.117 -0.092 0.000 1.359 115 I CA -0.332 60.817 61.300 -0.251 0.000 1.098 115 I CB -0.237 37.543 38.000 -0.367 0.000 1.027 115 I HN 0.088 nan 8.210 nan 0.000 0.394 116 D N 2.369 122.705 120.400 -0.106 0.000 2.697 116 D HA -0.296 4.344 4.640 0.001 0.000 0.235 116 D C -0.799 175.559 176.300 0.098 0.000 1.167 116 D CA 0.799 54.759 54.000 -0.068 0.000 0.656 116 D CB -1.053 39.697 40.800 -0.084 0.000 1.025 116 D HN 0.531 nan 8.370 nan 0.000 0.419 117 F N 1.642 121.543 119.950 -0.082 0.000 2.449 117 F HA 0.475 5.003 4.527 0.001 0.000 0.342 117 F C -1.160 174.638 175.800 -0.004 0.000 1.127 117 F CA -1.064 56.949 58.000 0.022 0.000 0.975 117 F CB 0.754 39.772 39.000 0.029 0.000 1.146 117 F HN -0.116 nan 8.300 nan 0.000 0.444 118 Y N 7.048 126.994 120.300 -0.590 0.000 2.383 118 Y HA 0.167 4.717 4.550 0.001 0.000 0.344 118 Y C 0.385 175.828 175.900 -0.761 0.000 0.986 118 Y CA -0.376 57.376 58.100 -0.581 0.000 1.175 118 Y CB 0.428 38.628 38.460 -0.433 0.000 1.152 118 Y HN 0.665 nan 8.280 nan 0.000 0.511 119 Y N -0.101 119.898 120.300 -0.502 0.000 2.500 119 Y HA 0.218 4.768 4.550 0.001 0.000 0.270 119 Y C -0.078 175.793 175.900 -0.048 0.000 1.134 119 Y CA -0.730 57.146 58.100 -0.374 0.000 1.293 119 Y CB 0.403 38.739 38.460 -0.207 0.000 1.063 119 Y HN 0.457 nan 8.280 nan 0.000 0.534 120 W N 2.803 123.872 121.300 -0.386 0.000 2.642 120 W HA 0.455 5.116 4.660 0.001 0.000 0.304 120 W C -2.073 174.327 176.519 -0.199 0.000 1.023 120 W CA -1.712 55.470 57.345 -0.272 0.000 1.290 120 W CB 1.189 30.370 29.460 -0.464 0.000 1.190 120 W HN 0.059 nan 8.180 nan 0.000 0.374 121 D N 5.189 125.653 120.400 0.106 0.000 2.470 121 D HA 0.219 4.860 4.640 0.001 0.000 0.233 121 D C 0.093 176.378 176.300 -0.026 0.000 1.372 121 D CA -0.234 53.740 54.000 -0.043 0.000 0.994 121 D CB 0.584 41.317 40.800 -0.111 0.000 1.377 121 D HN 0.350 nan 8.370 nan 0.000 0.586 122 I N 0.186 120.748 120.570 -0.013 0.000 3.889 122 I HA 0.374 4.544 4.170 0.001 0.000 0.332 122 I C 0.113 176.220 176.117 -0.017 0.000 1.493 122 I CA -0.542 60.754 61.300 -0.006 0.000 1.158 122 I CB 0.348 38.362 38.000 0.024 0.000 1.117 122 I HN -0.036 nan 8.210 nan 0.000 0.411 123 S N 1.853 117.536 115.700 -0.027 0.000 2.560 123 S HA 0.571 5.041 4.470 0.001 0.000 0.276 123 S C 0.618 175.232 174.600 0.024 0.000 1.350 123 S CA 0.432 58.649 58.200 0.029 0.000 1.024 123 S CB 0.728 63.958 63.200 0.051 0.000 0.864 123 S HN 0.870 nan 8.310 nan 0.000 0.536 124 G N 1.087 109.924 108.800 0.062 0.000 2.350 124 G HA2 0.270 4.231 3.960 0.001 0.000 0.282 124 G HA3 0.270 4.231 3.960 0.001 0.000 0.282 124 G C -3.639 171.288 174.900 0.044 0.000 1.314 124 G CA -1.160 43.959 45.100 0.031 0.000 0.915 124 G HN 0.481 nan 8.290 nan 0.000 0.499 125 P HA 0.488 nan 4.420 nan 0.000 0.266 125 P C 0.536 177.849 177.300 0.022 0.000 1.195 125 P CA 1.313 64.428 63.100 0.024 0.000 0.768 125 P CB 1.251 32.947 31.700 -0.006 0.000 0.838 126 G N 0.406 109.232 108.800 0.044 0.000 2.490 126 G HA2 0.693 4.653 3.960 0.001 0.000 0.308 126 G HA3 0.693 4.653 3.960 0.001 0.000 0.308 126 G C -2.120 172.570 174.900 -0.349 0.000 1.286 126 G CA -0.036 45.023 45.100 -0.069 0.000 0.825 126 G HN 0.583 nan 8.290 nan 0.000 0.479 127 A N -1.928 120.405 122.820 -0.812 0.000 2.599 127 A HA 1.059 5.380 4.320 0.001 0.000 0.294 127 A C -0.287 176.472 177.584 -1.374 0.000 1.055 127 A CA 0.423 51.694 52.037 -1.277 0.000 0.683 127 A CB 1.420 20.055 19.000 -0.609 0.000 1.278 127 A HN 2.575 nan 8.150 nan 0.000 0.412 128 G N -0.889 106.978 108.800 -1.556 0.000 2.489 128 G HA2 0.627 4.587 3.960 0.001 0.000 0.291 128 G HA3 0.627 4.587 3.960 0.001 0.000 0.291 128 G C -2.353 172.359 174.900 -0.313 0.000 1.487 128 G CA -0.503 44.197 45.100 -0.667 0.000 0.795 128 G HN 1.680 nan 8.290 nan 0.000 0.513 129 L N 0.964 122.178 121.223 -0.014 0.000 2.295 129 L HA 0.662 5.003 4.340 0.001 0.000 0.281 129 L C 0.113 177.086 176.870 0.171 0.000 1.018 129 L CA -0.814 54.056 54.840 0.050 0.000 0.841 129 L CB 1.015 43.063 42.059 -0.017 0.000 1.218 129 L HN 0.670 nan 8.230 nan 0.000 0.424 130 E N 4.314 124.669 120.200 0.257 0.000 2.214 130 E HA 0.282 4.632 4.350 0.001 0.000 0.274 130 E C -0.199 176.448 176.600 0.079 0.000 0.977 130 E CA -0.419 56.121 56.400 0.233 0.000 0.827 130 E CB 0.709 30.588 29.700 0.299 0.000 1.130 130 E HN 0.676 nan 8.360 nan 0.000 0.394 131 N N 2.587 121.307 118.700 0.033 0.000 2.756 131 N HA -0.186 4.555 4.740 0.001 0.000 0.248 131 N C -0.895 174.592 175.510 -0.039 0.000 1.062 131 N CA 0.313 53.349 53.050 -0.023 0.000 0.696 131 N CB -0.752 37.707 38.487 -0.046 0.000 0.946 131 N HN 0.481 nan 8.380 nan 0.000 0.548 132 I N 0.535 121.084 120.570 -0.034 0.000 2.441 132 I HA 0.050 4.221 4.170 0.001 0.000 0.287 132 I C 0.829 176.905 176.117 -0.067 0.000 1.049 132 I CA -0.214 61.054 61.300 -0.054 0.000 1.381 132 I CB 0.755 38.731 38.000 -0.041 0.000 1.409 132 I HN 0.014 nan 8.210 nan 0.000 0.523 133 D N 6.351 126.711 120.400 -0.067 0.000 2.352 133 D HA 0.111 4.751 4.640 0.001 0.000 0.245 133 D C 0.402 176.648 176.300 -0.091 0.000 1.224 133 D CA -0.039 53.913 54.000 -0.080 0.000 0.879 133 D CB 1.350 42.119 40.800 -0.052 0.000 1.057 133 D HN 0.213 nan 8.370 nan 0.000 0.491 134 V N 3.612 123.411 119.914 -0.192 0.000 3.421 134 V HA 0.268 4.388 4.120 0.001 0.000 0.316 134 V C 1.766 177.701 176.094 -0.265 0.000 1.347 134 V CA 0.434 62.590 62.300 -0.241 0.000 1.183 134 V CB -0.216 31.363 31.823 -0.406 0.000 1.092 134 V HN 0.865 nan 8.190 nan 0.000 0.433 135 G N 2.050 110.765 108.800 -0.141 0.000 5.045 135 G HA2 -0.418 3.543 3.960 0.001 0.000 0.229 135 G HA3 -0.418 3.543 3.960 0.001 0.000 0.229 135 G C 0.698 175.623 174.900 0.042 0.000 1.440 135 G CA 0.700 45.809 45.100 0.015 0.000 0.936 135 G HN 0.587 nan 8.290 nan 0.000 0.690 136 F N 1.707 121.679 119.950 0.036 0.000 2.558 136 F HA 0.542 5.069 4.527 0.001 0.000 0.298 136 F C 1.311 177.133 175.800 0.037 0.000 1.119 136 F CA 0.501 58.522 58.000 0.036 0.000 1.451 136 F CB -0.681 38.343 39.000 0.040 0.000 1.091 136 F HN 0.900 nan 8.300 nan 0.000 0.563 137 G N -0.285 108.232 108.800 -0.472 0.000 2.606 137 G HA2 0.521 4.481 3.960 0.001 0.000 0.300 137 G HA3 0.521 4.481 3.960 0.001 0.000 0.300 137 G C -1.920 172.802 174.900 -0.297 0.000 1.360 137 G CA -1.258 43.678 45.100 -0.274 0.000 0.783 137 G HN -0.072 nan 8.290 nan 0.000 0.484 138 K N -0.159 120.143 120.400 -0.163 0.000 2.235 138 K HA 0.644 4.965 4.320 0.001 0.000 0.266 138 K C -0.815 175.737 176.600 -0.079 0.000 0.980 138 K CA -0.449 55.767 56.287 -0.117 0.000 0.849 138 K CB 1.667 34.119 32.500 -0.080 0.000 1.098 138 K HN 0.415 nan 8.250 nan 0.000 0.445 139 L N 1.935 123.119 121.223 -0.065 0.000 2.307 139 L HA 0.556 4.896 4.340 0.001 0.000 0.284 139 L C -0.948 175.947 176.870 0.043 0.000 1.023 139 L CA 0.319 55.158 54.840 -0.001 0.000 0.810 139 L CB 1.563 43.619 42.059 -0.004 0.000 1.231 139 L HN 0.532 nan 8.230 nan 0.000 0.423 140 S N 5.310 121.068 115.700 0.097 0.000 2.536 140 S HA 0.805 5.276 4.470 0.001 0.000 0.298 140 S C -0.992 173.721 174.600 0.188 0.000 1.083 140 S CA -0.607 57.686 58.200 0.154 0.000 0.995 140 S CB 1.608 64.921 63.200 0.189 0.000 1.058 140 S HN 0.554 nan 8.310 nan 0.000 0.488 141 L N 1.784 123.120 121.223 0.187 0.000 2.409 141 L HA 0.903 5.244 4.340 0.001 0.000 0.272 141 L C -0.441 176.489 176.870 0.100 0.000 0.980 141 L CA -0.626 54.300 54.840 0.145 0.000 0.826 141 L CB 1.775 43.891 42.059 0.094 0.000 1.268 141 L HN 0.774 nan 8.230 nan 0.000 0.407 142 A N 2.454 125.300 122.820 0.044 0.000 2.572 142 A HA 0.965 5.285 4.320 0.001 0.000 0.295 142 A C -1.405 176.142 177.584 -0.061 0.000 1.072 142 A CA -0.446 51.527 52.037 -0.106 0.000 0.691 142 A CB 2.050 20.843 19.000 -0.343 0.000 1.291 142 A HN 0.771 nan 8.150 nan 0.000 0.404 143 A N 1.044 123.786 122.820 -0.130 0.000 2.335 143 A HA 0.841 5.161 4.320 0.001 0.000 0.304 143 A C 0.025 177.486 177.584 -0.205 0.000 1.118 143 A CA 0.190 52.151 52.037 -0.126 0.000 0.757 143 A CB 0.767 19.774 19.000 0.012 0.000 1.188 143 A HN 1.939 nan 8.150 nan 0.000 0.460 144 T N -0.401 114.013 114.554 -0.233 0.000 2.883 144 T HA 0.877 5.228 4.350 0.001 0.000 0.284 144 T C -0.246 174.324 174.700 -0.217 0.000 1.041 144 T CA -0.824 61.176 62.100 -0.166 0.000 1.007 144 T CB 1.567 70.378 68.868 -0.095 0.000 1.220 144 T HN 1.016 nan 8.240 nan 0.000 0.552 145 R N -0.213 120.198 120.500 -0.148 0.000 2.698 145 R HA 0.726 5.067 4.340 0.001 0.000 0.275 145 R C -1.149 175.085 176.300 -0.110 0.000 1.001 145 R CA -0.101 55.909 56.100 -0.150 0.000 0.896 145 R CB 1.941 32.168 30.300 -0.121 0.000 1.218 145 R HN 1.167 nan 8.270 nan 0.000 0.462 146 S N 0.869 116.499 115.700 -0.116 0.000 2.671 146 S HA 0.807 5.277 4.470 0.001 0.000 0.277 146 S C -1.350 173.199 174.600 -0.086 0.000 1.165 146 S CA -0.201 57.945 58.200 -0.090 0.000 0.822 146 S CB 1.574 64.718 63.200 -0.094 0.000 1.150 146 S HN 1.223 nan 8.310 nan 0.000 0.479 147 S N -0.030 115.630 115.700 -0.067 0.000 2.562 147 S HA 0.492 4.962 4.470 0.001 0.000 0.274 147 S C -1.373 173.202 174.600 -0.041 0.000 1.160 147 S CA -0.853 57.312 58.200 -0.058 0.000 0.933 147 S CB 1.129 64.296 63.200 -0.055 0.000 1.100 147 S HN 0.866 nan 8.310 nan 0.000 0.468 148 E N 2.278 122.460 120.200 -0.031 0.000 2.313 148 E HA 0.580 4.930 4.350 0.001 0.000 0.272 148 E C 1.346 177.963 176.600 0.029 0.000 1.038 148 E CA -0.639 55.758 56.400 -0.006 0.000 0.863 148 E CB 1.028 30.722 29.700 -0.011 0.000 1.060 148 E HN 0.737 nan 8.360 nan 0.000 0.402 149 A N 3.031 125.887 122.820 0.061 0.000 1.903 149 A HA -0.125 4.195 4.320 0.001 0.000 0.219 149 A C 1.188 178.826 177.584 0.088 0.000 1.191 149 A CA 2.061 54.135 52.037 0.062 0.000 0.638 149 A CB -0.670 18.377 19.000 0.078 0.000 0.823 149 A HN 0.743 nan 8.150 nan 0.000 0.451 150 G N -5.342 103.649 108.800 0.319 0.000 3.214 150 G HA2 0.530 4.490 3.960 0.001 0.000 0.188 150 G HA3 0.530 4.490 3.960 0.001 0.000 0.188 150 G C 0.786 175.849 174.900 0.272 0.000 1.126 150 G CA 0.455 45.766 45.100 0.352 0.000 0.796 150 G HN 1.558 nan 8.290 nan 0.000 0.631 151 G N -1.586 107.385 108.800 0.285 0.000 2.218 151 G HA2 -0.071 3.890 3.960 0.001 0.000 0.216 151 G HA3 -0.071 3.890 3.960 0.001 0.000 0.216 151 G C 0.302 175.344 174.900 0.237 0.000 0.994 151 G CA 0.729 45.925 45.100 0.160 0.000 0.637 151 G HN 1.295 nan 8.290 nan 0.000 0.505 152 S N -0.433 115.401 115.700 0.224 0.000 2.566 152 S HA 0.799 5.269 4.470 0.001 0.000 0.298 152 S C -0.372 174.207 174.600 -0.036 0.000 1.083 152 S CA 0.100 58.422 58.200 0.204 0.000 0.978 152 S CB 2.042 65.381 63.200 0.232 0.000 1.073 152 S HN 0.690 nan 8.310 nan 0.000 0.491 153 S N 0.641 116.145 115.700 -0.325 0.000 2.482 153 S HA 0.376 4.847 4.470 0.001 0.000 0.303 153 S C 1.008 175.151 174.600 -0.761 0.000 1.091 153 S CA -0.574 57.143 58.200 -0.805 0.000 1.057 153 S CB 1.533 63.782 63.200 -1.586 0.000 1.031 153 S HN 0.671 nan 8.310 nan 0.000 0.485 154 S N 3.254 118.448 115.700 -0.843 0.000 2.447 154 S HA 0.115 4.585 4.470 0.001 0.000 0.233 154 S C 0.229 174.536 174.600 -0.489 0.000 1.006 154 S CA 0.971 58.590 58.200 -0.969 0.000 0.957 154 S CB -0.478 62.489 63.200 -0.389 0.000 0.773 154 S HN 0.659 nan 8.310 nan 0.000 0.507 155 F N -1.455 118.259 119.950 -0.392 0.000 2.662 155 F HA 0.810 5.338 4.527 0.001 0.000 0.312 155 F C -0.633 175.049 175.800 -0.198 0.000 1.113 155 F CA -1.563 56.296 58.000 -0.235 0.000 0.951 155 F CB 0.891 39.790 39.000 -0.169 0.000 1.344 155 F HN -0.117 nan 8.300 nan 0.000 0.462 156 A N 2.191 125.063 122.820 0.087 0.000 2.395 156 A HA 0.552 4.873 4.320 0.001 0.000 0.286 156 A C 0.085 177.784 177.584 0.193 0.000 1.193 156 A CA 0.296 52.364 52.037 0.050 0.000 0.852 156 A CB -0.997 18.064 19.000 0.101 0.000 1.118 156 A HN 1.120 nan 8.150 nan 0.000 0.524 157 S N 2.165 117.864 115.700 -0.002 0.000 2.704 157 S HA 0.470 4.940 4.470 0.001 0.000 0.305 157 S C 0.392 175.134 174.600 0.235 0.000 1.107 157 S CA -0.848 57.474 58.200 0.204 0.000 0.993 157 S CB 1.357 64.580 63.200 0.038 0.000 1.110 157 S HN 0.578 nan 8.310 nan 0.000 0.534 158 N N 0.473 119.297 118.700 0.206 0.000 2.294 158 N HA 0.092 4.833 4.740 0.001 0.000 0.186 158 N C -0.350 175.236 175.510 0.126 0.000 1.107 158 N CA 0.071 53.203 53.050 0.137 0.000 0.884 158 N CB -0.038 38.509 38.487 0.100 0.000 1.030 158 N HN 0.721 nan 8.380 nan 0.000 0.482 159 N N 1.594 120.406 118.700 0.186 0.000 2.408 159 N HA 0.095 4.835 4.740 0.001 0.000 0.257 159 N C 1.111 176.729 175.510 0.180 0.000 1.064 159 N CA -0.142 53.010 53.050 0.171 0.000 0.952 159 N CB 1.074 39.706 38.487 0.242 0.000 1.093 159 N HN 0.030 nan 8.380 nan 0.000 0.490 160 I N 4.305 124.854 120.570 -0.034 0.000 2.335 160 I HA -0.294 3.876 4.170 0.001 0.000 0.251 160 I C 0.798 176.937 176.117 0.037 0.000 1.129 160 I CA 1.388 62.621 61.300 -0.112 0.000 1.402 160 I CB -0.005 37.783 38.000 -0.353 0.000 1.069 160 I HN 0.664 nan 8.210 nan 0.000 0.424 161 Y N 0.274 120.697 120.300 0.206 0.000 2.680 161 Y HA -0.162 4.388 4.550 0.001 0.000 0.303 161 Y C 1.852 177.858 175.900 0.176 0.000 1.166 161 Y CA 0.485 58.708 58.100 0.205 0.000 1.344 161 Y CB -0.749 37.817 38.460 0.177 0.000 1.002 161 Y HN 0.241 nan 8.280 nan 0.000 0.537 162 D N -1.586 118.973 120.400 0.264 0.000 2.354 162 D HA -0.049 4.592 4.640 0.001 0.000 0.209 162 D C -0.296 175.856 176.300 -0.248 0.000 1.015 162 D CA 0.479 54.467 54.000 -0.021 0.000 0.867 162 D CB 0.019 40.671 40.800 -0.247 0.000 0.933 162 D HN 0.315 nan 8.370 nan 0.000 0.520 163 Y N 0.942 121.233 120.300 -0.016 0.000 2.817 163 Y HA 0.147 4.697 4.550 0.001 0.000 0.339 163 Y C 1.327 177.339 175.900 0.187 0.000 1.281 163 Y CA -0.203 57.902 58.100 0.008 0.000 1.564 163 Y CB 0.107 38.537 38.460 -0.051 0.000 1.628 163 Y HN -0.173 nan 8.280 nan 0.000 0.489 164 T N -3.972 110.713 114.554 0.218 0.000 3.084 164 T HA 0.186 4.537 4.350 0.001 0.000 0.270 164 T C 0.217 174.968 174.700 0.084 0.000 1.008 164 T CA -0.476 61.757 62.100 0.222 0.000 0.900 164 T CB -0.052 68.856 68.868 0.067 0.000 1.084 164 T HN 0.218 nan 8.240 nan 0.000 0.538 165 N N 3.093 121.855 118.700 0.104 0.000 2.488 165 N HA 0.139 4.880 4.740 0.001 0.000 0.274 165 N C -0.173 175.385 175.510 0.081 0.000 1.111 165 N CA -0.173 52.932 53.050 0.091 0.000 0.974 165 N CB 1.462 40.061 38.487 0.187 0.000 1.089 165 N HN 0.550 nan 8.380 nan 0.000 0.465 166 E N 0.890 121.104 120.200 0.024 0.000 2.502 166 E HA -0.062 4.289 4.350 0.001 0.000 0.261 166 E C -0.459 176.136 176.600 -0.007 0.000 0.974 166 E CA 0.400 56.804 56.400 0.007 0.000 0.936 166 E CB 0.564 30.247 29.700 -0.027 0.000 0.926 166 E HN 0.445 nan 8.360 nan 0.000 0.459 167 T N 2.462 117.014 114.554 -0.003 0.000 2.847 167 T HA 0.580 4.931 4.350 0.001 0.000 0.291 167 T C -0.593 174.078 174.700 -0.048 0.000 0.998 167 T CA -0.428 61.657 62.100 -0.025 0.000 0.967 167 T CB 1.019 69.891 68.868 0.007 0.000 0.954 167 T HN 0.525 nan 8.240 nan 0.000 0.441 168 A N 4.814 127.593 122.820 -0.068 0.000 2.425 168 A HA 0.619 4.939 4.320 0.001 0.000 0.249 168 A C 0.102 177.631 177.584 -0.092 0.000 1.084 168 A CA -0.395 51.594 52.037 -0.080 0.000 0.781 168 A CB -0.105 18.845 19.000 -0.084 0.000 1.019 168 A HN 0.891 nan 8.150 nan 0.000 0.490 169 N N 0.835 119.465 118.700 -0.116 0.000 2.272 169 N HA 0.551 5.291 4.740 0.001 0.000 0.305 169 N C -1.715 173.668 175.510 -0.212 0.000 1.103 169 N CA -0.537 52.421 53.050 -0.154 0.000 0.791 169 N CB 1.739 40.132 38.487 -0.156 0.000 1.356 169 N HN 0.554 nan 8.380 nan 0.000 0.486 170 D N 0.288 120.512 120.400 -0.293 0.000 2.362 170 D HA 0.449 5.090 4.640 0.001 0.000 0.247 170 D C -0.755 175.133 176.300 -0.688 0.000 1.050 170 D CA -0.272 53.432 54.000 -0.494 0.000 0.839 170 D CB 2.118 42.592 40.800 -0.542 0.000 1.283 170 D HN 0.026 nan 8.370 nan 0.000 0.477 171 V N 2.333 121.807 119.914 -0.733 0.000 2.555 171 V HA 0.471 4.592 4.120 0.001 0.000 0.302 171 V C -0.828 174.824 176.094 -0.737 0.000 1.038 171 V CA -0.714 61.226 62.300 -0.599 0.000 0.887 171 V CB 1.305 32.943 31.823 -0.307 0.000 0.991 171 V HN 0.340 nan 8.190 nan 0.000 0.434 172 F N 2.801 122.713 119.950 -0.063 0.000 2.445 172 F HA 0.455 4.982 4.527 0.001 0.000 0.348 172 F C 0.103 175.927 175.800 0.038 0.000 1.125 172 F CA -0.772 57.226 58.000 -0.003 0.000 0.983 172 F CB 1.362 40.385 39.000 0.039 0.000 1.198 172 F HN 0.444 nan 8.300 nan 0.000 0.436 173 D N 3.027 123.550 120.400 0.206 0.000 2.256 173 D HA 0.603 5.244 4.640 0.001 0.000 0.246 173 D C -1.478 174.965 176.300 0.238 0.000 1.042 173 D CA -0.272 53.857 54.000 0.215 0.000 0.841 173 D CB 2.464 43.364 40.800 0.166 0.000 1.223 173 D HN 0.317 nan 8.370 nan 0.000 0.470 174 V N 4.297 124.380 119.914 0.282 0.000 2.569 174 V HA 0.466 4.586 4.120 0.001 0.000 0.301 174 V C -0.322 175.955 176.094 0.305 0.000 1.044 174 V CA -0.691 61.765 62.300 0.260 0.000 0.874 174 V CB 1.946 33.913 31.823 0.239 0.000 1.002 174 V HN 0.514 nan 8.190 nan 0.000 0.424 175 R N 3.544 124.207 120.500 0.271 0.000 2.750 175 R HA 0.793 5.133 4.340 0.001 0.000 0.281 175 R C -1.586 174.834 176.300 0.200 0.000 0.972 175 R CA -0.803 55.471 56.100 0.289 0.000 0.912 175 R CB 2.285 32.734 30.300 0.248 0.000 1.187 175 R HN 0.480 nan 8.270 nan 0.000 0.464 176 L N 1.931 123.276 121.223 0.204 0.000 2.457 176 L HA 0.738 5.079 4.340 0.001 0.000 0.266 176 L C -1.227 175.725 176.870 0.137 0.000 0.979 176 L CA -0.144 54.777 54.840 0.136 0.000 0.857 176 L CB 1.274 43.430 42.059 0.163 0.000 1.213 176 L HN 0.840 nan 8.230 nan 0.000 0.418 177 A N 2.763 125.627 122.820 0.075 0.000 2.464 177 A HA 0.683 5.003 4.320 0.001 0.000 0.268 177 A C 0.132 177.732 177.584 0.027 0.000 1.244 177 A CA -0.265 51.814 52.037 0.070 0.000 0.871 177 A CB 0.844 19.872 19.000 0.048 0.000 1.400 177 A HN 0.663 nan 8.150 nan 0.000 0.455 178 Q N -1.490 118.322 119.800 0.021 0.000 2.461 178 Q HA -0.198 4.142 4.340 0.001 0.000 0.273 178 Q C -0.735 175.286 176.000 0.034 0.000 1.163 178 Q CA 0.990 56.795 55.803 0.003 0.000 0.929 178 Q CB -1.452 27.268 28.738 -0.031 0.000 1.334 178 Q HN 0.647 nan 8.270 nan 0.000 0.499 179 M N 0.594 120.241 119.600 0.079 0.000 2.146 179 M HA 0.112 4.593 4.480 0.001 0.000 0.357 179 M C 0.172 176.534 176.300 0.105 0.000 1.261 179 M CA 0.350 55.728 55.300 0.129 0.000 1.106 179 M CB 0.770 33.489 32.600 0.197 0.000 1.612 179 M HN -0.041 nan 8.290 nan 0.000 0.470 180 E N 3.182 123.441 120.200 0.098 0.000 2.110 180 E HA 0.095 4.445 4.350 0.001 0.000 0.300 180 E C 0.778 177.439 176.600 0.101 0.000 1.278 180 E CA -0.117 56.331 56.400 0.081 0.000 1.365 180 E CB -0.239 29.498 29.700 0.062 0.000 1.283 180 E HN 0.560 nan 8.360 nan 0.000 0.490 181 I N 1.359 122.007 120.570 0.129 0.000 2.381 181 I HA -0.270 3.900 4.170 0.001 0.000 0.255 181 I C 0.951 177.138 176.117 0.117 0.000 1.140 181 I CA 1.514 62.894 61.300 0.133 0.000 1.404 181 I CB -1.332 36.775 38.000 0.178 0.000 1.075 181 I HN 0.533 nan 8.210 nan 0.000 0.433 182 N N 0.334 119.112 118.700 0.130 0.000 3.277 182 N HA 0.259 5.000 4.740 0.001 0.000 0.278 182 N C -3.185 172.379 175.510 0.090 0.000 1.544 182 N CA -1.023 52.090 53.050 0.105 0.000 0.869 182 N CB 1.677 40.236 38.487 0.120 0.000 1.584 182 N HN -0.251 nan 8.380 nan 0.000 0.564 183 P HA 0.219 nan 4.420 nan 0.000 0.287 183 P C 0.614 177.954 177.300 0.066 0.000 1.307 183 P CA 0.786 63.921 63.100 0.058 0.000 0.777 183 P CB 0.597 32.324 31.700 0.045 0.000 0.883 184 G N 2.563 111.396 108.800 0.054 0.000 2.234 184 G HA2 -0.147 3.813 3.960 0.001 0.000 0.235 184 G HA3 -0.147 3.813 3.960 0.001 0.000 0.235 184 G C 0.371 175.296 174.900 0.042 0.000 0.997 184 G CA -0.173 44.959 45.100 0.053 0.000 0.623 184 G HN 0.895 nan 8.290 nan 0.000 0.514 185 G N -0.002 108.832 108.800 0.056 0.000 2.416 185 G HA2 0.728 4.689 3.960 0.001 0.000 0.329 185 G HA3 0.728 4.689 3.960 0.001 0.000 0.329 185 G C -0.288 174.568 174.900 -0.074 0.000 1.173 185 G CA 0.638 45.716 45.100 -0.037 0.000 0.929 185 G HN 0.806 nan 8.290 nan 0.000 0.475 186 T N -0.071 114.345 114.554 -0.230 0.000 2.930 186 T HA 0.661 5.012 4.350 0.001 0.000 0.290 186 T C -1.020 173.638 174.700 -0.069 0.000 1.052 186 T CA -0.658 61.391 62.100 -0.085 0.000 1.017 186 T CB 2.109 70.940 68.868 -0.062 0.000 1.137 186 T HN 0.466 nan 8.240 nan 0.000 0.511 187 L N 1.197 122.465 121.223 0.075 0.000 2.410 187 L HA 0.644 4.985 4.340 0.001 0.000 0.270 187 L C -0.793 176.176 176.870 0.166 0.000 0.983 187 L CA -0.441 54.495 54.840 0.160 0.000 0.822 187 L CB 1.864 44.048 42.059 0.208 0.000 1.285 187 L HN 0.832 nan 8.230 nan 0.000 0.409 188 E N 3.922 124.247 120.200 0.207 0.000 2.199 188 E HA 0.589 4.940 4.350 0.001 0.000 0.269 188 E C -1.845 174.916 176.600 0.269 0.000 0.899 188 E CA -0.755 55.794 56.400 0.248 0.000 0.772 188 E CB 1.491 31.380 29.700 0.315 0.000 1.155 188 E HN 0.503 nan 8.360 nan 0.000 0.408 189 L N 2.773 124.156 121.223 0.267 0.000 2.365 189 L HA 0.729 5.070 4.340 0.001 0.000 0.273 189 L C -0.010 177.046 176.870 0.310 0.000 1.000 189 L CA -0.400 54.583 54.840 0.239 0.000 0.819 189 L CB 1.859 44.043 42.059 0.208 0.000 1.284 189 L HN 0.655 nan 8.230 nan 0.000 0.418 190 G N 1.736 110.687 108.800 0.252 0.000 2.667 190 G HA2 0.671 4.631 3.960 0.001 0.000 0.298 190 G HA3 0.671 4.631 3.960 0.001 0.000 0.298 190 G C -2.010 173.047 174.900 0.262 0.000 1.377 190 G CA -0.464 44.850 45.100 0.356 0.000 0.964 190 G HN 0.309 nan 8.290 nan 0.000 0.493 191 V N 1.614 121.726 119.914 0.331 0.000 2.577 191 V HA 0.469 4.590 4.120 0.001 0.000 0.303 191 V C -1.335 174.918 176.094 0.265 0.000 1.042 191 V CA -0.821 61.667 62.300 0.313 0.000 0.872 191 V CB 2.082 34.178 31.823 0.455 0.000 0.998 191 V HN 0.733 nan 8.190 nan 0.000 0.423 192 D N 3.497 123.969 120.400 0.121 0.000 2.391 192 D HA 0.338 4.979 4.640 0.001 0.000 0.245 192 D C -1.501 174.726 176.300 -0.122 0.000 1.069 192 D CA -0.156 53.876 54.000 0.054 0.000 0.831 192 D CB 2.467 43.283 40.800 0.027 0.000 1.204 192 D HN 0.510 nan 8.370 nan 0.000 0.503 193 Y N 1.450 121.560 120.300 -0.317 0.000 2.338 193 Y HA 0.503 5.053 4.550 0.001 0.000 0.328 193 Y C -0.304 175.383 175.900 -0.356 0.000 0.965 193 Y CA -0.742 56.943 58.100 -0.693 0.000 1.208 193 Y CB 1.353 39.255 38.460 -0.931 0.000 1.132 193 Y HN 0.364 nan 8.280 nan 0.000 0.469 194 G N 5.576 113.784 108.800 -0.987 0.000 2.417 194 G HA2 0.694 4.655 3.960 0.001 0.000 0.334 194 G HA3 0.694 4.655 3.960 0.001 0.000 0.334 194 G C -1.556 172.829 174.900 -0.858 0.000 1.150 194 G CA -1.224 43.424 45.100 -0.754 0.000 0.923 194 G HN 0.844 nan 8.290 nan 0.000 0.485 195 R N 0.014 120.198 120.500 -0.526 0.000 2.561 195 R HA 0.677 5.018 4.340 0.001 0.000 0.266 195 R C -0.560 175.631 176.300 -0.182 0.000 1.091 195 R CA -0.809 55.089 56.100 -0.338 0.000 0.927 195 R CB 1.189 31.349 30.300 -0.234 0.000 1.240 195 R HN 0.781 nan 8.270 nan 0.000 0.449 196 A N 2.302 125.050 122.820 -0.120 0.000 2.477 196 A HA 0.195 4.516 4.320 0.001 0.000 0.246 196 A C -0.439 177.116 177.584 -0.047 0.000 1.078 196 A CA -0.258 51.730 52.037 -0.081 0.000 0.770 196 A CB 0.164 19.130 19.000 -0.055 0.000 1.011 196 A HN 0.732 nan 8.150 nan 0.000 0.494 197 N N 2.828 121.499 118.700 -0.048 0.000 2.706 197 N HA 0.352 5.093 4.740 0.001 0.000 0.240 197 N C -1.085 174.404 175.510 -0.036 0.000 1.039 197 N CA -0.280 52.755 53.050 -0.025 0.000 0.888 197 N CB -0.005 38.464 38.487 -0.030 0.000 1.128 197 N HN 0.548 nan 8.380 nan 0.000 0.512 198 L N 2.356 123.570 121.223 -0.015 0.000 2.416 198 L HA 0.313 4.653 4.340 0.001 0.000 0.272 198 L C 1.500 178.334 176.870 -0.058 0.000 1.161 198 L CA -0.346 54.481 54.840 -0.020 0.000 0.845 198 L CB 0.566 42.654 42.059 0.049 0.000 1.119 198 L HN 0.277 nan 8.230 nan 0.000 0.464 199 R N 1.094 121.477 120.500 -0.195 0.000 2.784 199 R HA -0.027 4.313 4.340 0.001 0.000 0.266 199 R C -0.299 175.977 176.300 -0.041 0.000 1.044 199 R CA -0.446 55.499 56.100 -0.259 0.000 1.151 199 R CB 0.311 30.176 30.300 -0.725 0.000 1.037 199 R HN 0.542 nan 8.270 nan 0.000 0.478 200 D N 1.404 121.809 120.400 0.008 0.000 2.450 200 D HA -0.074 4.567 4.640 0.001 0.000 0.247 200 D C 0.027 176.459 176.300 0.219 0.000 1.162 200 D CA 0.739 54.793 54.000 0.089 0.000 0.879 200 D CB 0.301 41.138 40.800 0.061 0.000 1.163 200 D HN 0.467 nan 8.370 nan 0.000 0.472 201 N N 1.469 120.287 118.700 0.197 0.000 2.925 201 N HA -0.224 4.516 4.740 0.001 0.000 0.244 201 N C -1.103 174.527 175.510 0.200 0.000 1.000 201 N CA 0.545 53.703 53.050 0.178 0.000 0.895 201 N CB -1.414 37.148 38.487 0.124 0.000 1.119 201 N HN 0.381 nan 8.380 nan 0.000 0.569 202 Y N 0.709 121.006 120.300 -0.005 0.000 2.453 202 Y HA 0.593 5.144 4.550 0.001 0.000 0.326 202 Y C 1.169 177.062 175.900 -0.012 0.000 1.186 202 Y CA -0.280 57.803 58.100 -0.028 0.000 1.200 202 Y CB 1.053 39.493 38.460 -0.032 0.000 1.247 202 Y HN -0.203 nan 8.280 nan 0.000 0.482 203 R N 1.400 121.949 120.500 0.082 0.000 2.744 203 R HA 0.609 4.950 4.340 0.001 0.000 0.279 203 R C -1.413 175.020 176.300 0.222 0.000 0.977 203 R CA -0.896 55.269 56.100 0.109 0.000 0.906 203 R CB 2.087 32.424 30.300 0.062 0.000 1.197 203 R HN 0.584 nan 8.270 nan 0.000 0.463 204 L N 1.644 122.986 121.223 0.199 0.000 2.387 204 L HA 0.420 4.761 4.340 0.001 0.000 0.266 204 L C 0.589 177.496 176.870 0.063 0.000 1.059 204 L CA -1.042 53.904 54.840 0.175 0.000 0.801 204 L CB 1.595 43.684 42.059 0.049 0.000 1.223 204 L HN 0.313 nan 8.230 nan 0.000 0.456 205 V N 0.656 120.398 119.914 -0.287 0.000 3.367 205 V HA -0.140 3.980 4.120 0.001 0.000 0.304 205 V C 0.108 176.066 176.094 -0.227 0.000 1.131 205 V CA 0.426 62.394 62.300 -0.553 0.000 1.233 205 V CB 0.612 32.072 31.823 -0.605 0.000 1.021 205 V HN 0.666 nan 8.190 nan 0.000 0.497 206 D N 1.476 121.757 120.400 -0.198 0.000 2.304 206 D HA 0.463 5.103 4.640 0.001 0.000 0.250 206 D C 0.866 177.103 176.300 -0.104 0.000 1.107 206 D CA 1.264 55.203 54.000 -0.101 0.000 0.885 206 D CB 1.162 41.922 40.800 -0.068 0.000 1.192 206 D HN 0.889 nan 8.370 nan 0.000 0.436 207 G N 1.996 110.756 108.800 -0.067 0.000 2.179 207 G HA2 -0.229 3.731 3.960 0.001 0.000 0.260 207 G HA3 -0.229 3.731 3.960 0.001 0.000 0.260 207 G C 0.564 175.417 174.900 -0.078 0.000 0.977 207 G CA 0.284 45.347 45.100 -0.062 0.000 0.641 207 G HN 0.856 nan 8.290 nan 0.000 0.533 208 A N 0.783 123.544 122.820 -0.097 0.000 2.567 208 A HA 0.562 4.882 4.320 0.001 0.000 0.240 208 A C 1.887 179.434 177.584 -0.062 0.000 1.053 208 A CA 1.394 53.369 52.037 -0.104 0.000 0.755 208 A CB 0.137 19.076 19.000 -0.102 0.000 0.978 208 A HN 1.791 nan 8.150 nan 0.000 0.507 209 S N 2.399 118.059 115.700 -0.066 0.000 2.387 209 S HA -0.262 4.208 4.470 0.001 0.000 0.230 209 S C 1.394 175.988 174.600 -0.011 0.000 1.035 209 S CA 1.486 59.668 58.200 -0.029 0.000 1.014 209 S CB -0.480 62.698 63.200 -0.036 0.000 0.836 209 S HN 0.916 nan 8.310 nan 0.000 0.466 210 K N 0.173 120.553 120.400 -0.033 0.000 4.770 210 K HA -0.264 4.057 4.320 0.001 0.000 0.417 210 K C -0.124 176.444 176.600 -0.054 0.000 0.474 210 K CA 2.146 58.417 56.287 -0.027 0.000 1.797 210 K CB -1.749 30.756 32.500 0.008 0.000 1.001 210 K HN 0.784 nan 8.250 nan 0.000 0.567 211 D N -1.373 119.002 120.400 -0.042 0.000 2.825 211 D HA 0.691 5.332 4.640 0.001 0.000 0.327 211 D C 0.019 176.264 176.300 -0.092 0.000 1.277 211 D CA 0.092 54.014 54.000 -0.131 0.000 0.950 211 D CB 1.230 41.977 40.800 -0.088 0.000 1.438 211 D HN 0.290 nan 8.370 nan 0.000 0.526 212 G N -2.376 106.287 108.800 -0.228 0.000 2.342 212 G HA2 0.465 4.425 3.960 0.001 0.000 0.297 212 G HA3 0.465 4.425 3.960 0.001 0.000 0.297 212 G C -2.346 172.337 174.900 -0.362 0.000 1.313 212 G CA -1.079 43.970 45.100 -0.085 0.000 0.830 212 G HN 0.330 nan 8.290 nan 0.000 0.506 213 W N -0.872 120.405 121.300 -0.038 0.000 3.032 213 W HA 0.716 5.376 4.660 0.001 0.000 0.335 213 W C -0.886 175.397 176.519 -0.393 0.000 1.154 213 W CA -0.762 56.450 57.345 -0.222 0.000 1.204 213 W CB 2.352 31.628 29.460 -0.308 0.000 1.416 213 W HN 0.494 nan 8.180 nan 0.000 0.521 214 L N 3.085 124.133 121.223 -0.292 0.000 2.381 214 L HA 0.729 5.070 4.340 0.001 0.000 0.274 214 L C -1.805 174.807 176.870 -0.428 0.000 0.988 214 L CA -1.031 53.644 54.840 -0.275 0.000 0.824 214 L CB 0.615 42.567 42.059 -0.178 0.000 1.263 214 L HN 0.267 nan 8.230 nan 0.000 0.410 215 F N 2.715 122.716 119.950 0.085 0.000 2.493 215 F HA 0.710 5.238 4.527 0.001 0.000 0.329 215 F C 0.309 176.037 175.800 -0.121 0.000 1.126 215 F CA -0.451 57.576 58.000 0.045 0.000 0.937 215 F CB 2.394 41.472 39.000 0.131 0.000 1.146 215 F HN 0.377 nan 8.300 nan 0.000 0.442 216 T N 2.395 116.877 114.554 -0.120 0.000 2.863 216 T HA 0.817 5.167 4.350 0.001 0.000 0.285 216 T C -1.030 173.589 174.700 -0.136 0.000 1.009 216 T CA -0.795 61.096 62.100 -0.349 0.000 0.989 216 T CB 1.753 69.927 68.868 -1.156 0.000 1.004 216 T HN 0.698 nan 8.240 nan 0.000 0.455 217 A N 2.623 125.412 122.820 -0.052 0.000 2.446 217 A HA 0.675 4.996 4.320 0.001 0.000 0.282 217 A C -0.708 176.948 177.584 0.120 0.000 1.102 217 A CA -0.660 51.423 52.037 0.078 0.000 0.737 217 A CB 1.012 20.075 19.000 0.106 0.000 1.212 217 A HN 0.780 nan 8.150 nan 0.000 0.434 218 E N 1.908 122.236 120.200 0.214 0.000 2.176 218 E HA 0.356 4.706 4.350 0.001 0.000 0.267 218 E C -1.311 175.470 176.600 0.303 0.000 0.893 218 E CA -0.539 56.026 56.400 0.274 0.000 0.761 218 E CB 1.011 30.945 29.700 0.389 0.000 1.133 218 E HN 0.769 nan 8.360 nan 0.000 0.409 219 H N 3.588 122.810 119.070 0.252 0.000 2.511 219 H HA 0.336 4.893 4.556 0.001 0.000 0.328 219 H C -1.326 174.133 175.328 0.218 0.000 1.044 219 H CA -0.362 55.825 56.048 0.232 0.000 1.212 219 H CB 1.297 31.212 29.762 0.255 0.000 1.428 219 H HN 0.414 nan 8.280 nan 0.000 0.483 220 T N 5.031 119.404 114.554 -0.300 0.000 2.771 220 T HA 0.134 4.485 4.350 0.001 0.000 0.281 220 T C -0.180 174.373 174.700 -0.244 0.000 0.982 220 T CA -0.661 61.364 62.100 -0.125 0.000 0.978 220 T CB 1.480 70.304 68.868 -0.072 0.000 0.930 220 T HN 0.506 nan 8.240 nan 0.000 0.447 221 Q N 2.184 122.009 119.800 0.041 0.000 2.325 221 Q HA 0.478 4.818 4.340 0.001 0.000 0.270 221 Q C -0.344 175.745 176.000 0.150 0.000 1.020 221 Q CA -0.378 55.497 55.803 0.120 0.000 0.785 221 Q CB 1.652 30.559 28.738 0.283 0.000 1.259 221 Q HN 0.623 nan 8.270 nan 0.000 0.452 222 S N 2.968 118.734 115.700 0.110 0.000 2.516 222 S HA 0.615 5.085 4.470 0.001 0.000 0.282 222 S C -0.779 173.887 174.600 0.110 0.000 1.286 222 S CA -0.180 58.090 58.200 0.117 0.000 1.066 222 S CB -0.043 63.203 63.200 0.077 0.000 0.884 222 S HN 0.488 nan 8.310 nan 0.000 0.491 223 V N 6.002 125.984 119.914 0.114 0.000 3.000 223 V HA 0.335 4.455 4.120 0.001 0.000 0.300 223 V C -0.028 176.116 176.094 0.084 0.000 1.251 223 V CA -0.959 61.395 62.300 0.089 0.000 0.972 223 V CB 1.714 33.591 31.823 0.090 0.000 1.065 223 V HN 0.973 nan 8.190 nan 0.000 0.431 224 L N 3.501 124.764 121.223 0.067 0.000 3.829 224 L HA -0.275 4.065 4.340 0.001 0.000 0.440 224 L C 1.123 178.042 176.870 0.081 0.000 1.192 224 L CA 1.097 55.976 54.840 0.065 0.000 0.848 224 L CB -1.307 40.788 42.059 0.060 0.000 1.744 224 L HN 1.010 nan 8.230 nan 0.000 0.920 225 K N -2.534 117.916 120.400 0.083 0.000 3.209 225 K HA -0.199 4.121 4.320 0.001 0.000 0.289 225 K C 0.723 177.401 176.600 0.130 0.000 1.191 225 K CA 0.904 57.248 56.287 0.094 0.000 0.851 225 K CB -1.376 31.177 32.500 0.087 0.000 1.242 225 K HN 0.784 nan 8.250 nan 0.000 0.480 226 G N -0.133 108.750 108.800 0.139 0.000 3.107 226 G HA2 0.768 4.729 3.960 0.001 0.000 0.233 226 G HA3 0.768 4.729 3.960 0.001 0.000 0.233 226 G C -1.077 173.952 174.900 0.215 0.000 1.168 226 G CA -0.396 44.812 45.100 0.180 0.000 0.801 226 G HN 0.244 nan 8.290 nan 0.000 0.605 227 F N -1.186 118.834 119.950 0.116 0.000 2.685 227 F HA 0.764 5.291 4.527 0.001 0.000 0.315 227 F C -1.180 174.680 175.800 0.100 0.000 1.126 227 F CA -1.511 56.533 58.000 0.074 0.000 0.950 227 F CB 2.112 41.119 39.000 0.012 0.000 1.360 227 F HN 0.529 nan 8.300 nan 0.000 0.469 228 N N 1.408 120.191 118.700 0.139 0.000 2.397 228 N HA 0.330 5.070 4.740 0.001 0.000 0.291 228 N C -2.113 173.558 175.510 0.268 0.000 1.065 228 N CA -0.547 52.565 53.050 0.102 0.000 0.884 228 N CB 2.471 41.083 38.487 0.207 0.000 1.551 228 N HN 0.816 nan 8.380 nan 0.000 0.487 229 K N 2.362 122.861 120.400 0.164 0.000 2.259 229 K HA 0.406 4.726 4.320 0.001 0.000 0.252 229 K C -1.334 175.431 176.600 0.274 0.000 0.936 229 K CA -0.689 55.719 56.287 0.203 0.000 0.810 229 K CB 2.180 34.731 32.500 0.085 0.000 1.143 229 K HN 0.400 nan 8.250 nan 0.000 0.427 230 F N 2.637 122.706 119.950 0.199 0.000 2.507 230 F HA 0.371 4.898 4.527 0.001 0.000 0.328 230 F C -1.209 174.684 175.800 0.155 0.000 1.136 230 F CA -0.726 57.377 58.000 0.171 0.000 0.930 230 F CB 1.094 40.191 39.000 0.162 0.000 1.166 230 F HN 0.142 nan 8.300 nan 0.000 0.436 231 V N 5.957 125.535 119.914 -0.560 0.000 2.715 231 V HA 0.744 4.864 4.120 0.001 0.000 0.310 231 V C -0.903 174.824 176.094 -0.612 0.000 1.054 231 V CA -0.981 61.058 62.300 -0.434 0.000 0.928 231 V CB 1.736 33.352 31.823 -0.344 0.000 1.007 231 V HN 0.573 nan 8.190 nan 0.000 0.437 232 V N 3.766 123.482 119.914 -0.329 0.000 2.612 232 V HA 0.510 4.631 4.120 0.001 0.000 0.301 232 V C -0.645 175.399 176.094 -0.083 0.000 1.059 232 V CA -0.417 61.761 62.300 -0.203 0.000 0.886 232 V CB 1.751 33.513 31.823 -0.101 0.000 1.007 232 V HN 1.001 nan 8.190 nan 0.000 0.426 233 Q N 2.946 122.720 119.800 -0.043 0.000 2.423 233 Q HA 0.667 5.007 4.340 0.001 0.000 0.278 233 Q C -1.906 174.183 176.000 0.148 0.000 1.097 233 Q CA -0.900 54.910 55.803 0.012 0.000 0.809 233 Q CB 3.490 32.185 28.738 -0.072 0.000 1.391 233 Q HN 0.730 nan 8.270 nan 0.000 0.428 234 Y N 0.402 120.753 120.300 0.085 0.000 2.332 234 Y HA 0.658 5.208 4.550 0.001 0.000 0.325 234 Y C -1.744 174.283 175.900 0.212 0.000 1.054 234 Y CA -0.526 57.669 58.100 0.159 0.000 1.119 234 Y CB 1.134 39.710 38.460 0.193 0.000 1.168 234 Y HN 0.746 nan 8.280 nan 0.000 0.439 235 A N 3.488 126.071 122.820 -0.395 0.000 2.322 235 A HA 0.889 5.209 4.320 0.001 0.000 0.327 235 A C -0.887 176.456 177.584 -0.402 0.000 1.134 235 A CA -0.725 51.141 52.037 -0.285 0.000 0.831 235 A CB 1.510 20.423 19.000 -0.145 0.000 1.288 235 A HN 0.633 nan 8.150 nan 0.000 0.472 236 T N 1.409 115.902 114.554 -0.101 0.000 2.879 236 T HA 0.517 4.868 4.350 0.001 0.000 0.290 236 T C -0.422 174.339 174.700 0.101 0.000 0.993 236 T CA 0.137 62.266 62.100 0.047 0.000 0.975 236 T CB 0.872 69.896 68.868 0.260 0.000 0.981 236 T HN 0.819 nan 8.240 nan 0.000 0.439 237 D N 1.855 122.334 120.400 0.132 0.000 4.072 237 D HA -0.267 4.373 4.640 0.001 0.000 0.146 237 D C 1.761 178.115 176.300 0.091 0.000 0.777 237 D CA 2.191 56.269 54.000 0.131 0.000 1.099 237 D CB -1.453 39.415 40.800 0.114 0.000 0.497 237 D HN 0.666 nan 8.370 nan 0.000 0.483 238 S N -0.298 115.415 115.700 0.022 0.000 2.537 238 S HA -0.099 4.372 4.470 0.001 0.000 0.240 238 S C 1.538 176.114 174.600 -0.040 0.000 0.981 238 S CA 1.205 59.387 58.200 -0.030 0.000 0.948 238 S CB -0.124 63.026 63.200 -0.083 0.000 0.759 238 S HN 0.388 nan 8.310 nan 0.000 0.531 239 M N 1.766 121.350 119.600 -0.027 0.000 2.371 239 M HA 0.124 4.604 4.480 0.001 0.000 0.246 239 M C 1.828 178.128 176.300 0.000 0.000 1.103 239 M CA 0.925 56.198 55.300 -0.046 0.000 1.010 239 M CB -0.445 32.103 32.600 -0.088 0.000 1.457 239 M HN 0.667 nan 8.290 nan 0.000 0.486 240 T N -2.148 112.448 114.554 0.071 0.000 3.014 240 T HA -0.002 4.349 4.350 0.001 0.000 0.263 240 T C 1.886 176.683 174.700 0.163 0.000 1.078 240 T CA 1.308 63.462 62.100 0.089 0.000 1.135 240 T CB -0.238 68.723 68.868 0.155 0.000 0.895 240 T HN 0.324 nan 8.240 nan 0.000 0.480 241 S N 1.531 117.381 115.700 0.250 0.000 2.345 241 S HA -0.092 4.379 4.470 0.001 0.000 0.219 241 S C 2.192 176.865 174.600 0.121 0.000 1.031 241 S CA 0.664 59.027 58.200 0.272 0.000 0.984 241 S CB -0.602 62.705 63.200 0.180 0.000 0.874 241 S HN 0.451 nan 8.310 nan 0.000 0.451 242 Q N 1.580 121.413 119.800 0.054 0.000 2.096 242 Q HA 0.062 4.402 4.340 0.001 0.000 0.197 242 Q C 1.333 177.351 176.000 0.030 0.000 0.964 242 Q CA 1.004 56.819 55.803 0.020 0.000 0.838 242 Q CB -0.608 28.119 28.738 -0.018 0.000 0.906 242 Q HN 0.722 nan 8.270 nan 0.000 0.444 243 G N 1.756 110.569 108.800 0.022 0.000 2.305 243 G HA2 -0.277 3.683 3.960 0.001 0.000 0.287 243 G HA3 -0.277 3.683 3.960 0.001 0.000 0.287 243 G C 0.286 175.199 174.900 0.023 0.000 1.036 243 G CA 0.973 46.085 45.100 0.021 0.000 0.887 243 G HN 0.442 nan 8.290 nan 0.000 0.505 244 K N -1.643 118.759 120.400 0.003 0.000 2.603 244 K HA 0.429 4.749 4.320 0.001 0.000 0.202 244 K C 1.471 178.115 176.600 0.072 0.000 1.279 244 K CA 0.275 56.574 56.287 0.019 0.000 1.056 244 K CB 1.290 33.777 32.500 -0.022 0.000 1.062 244 K HN 1.199 nan 8.250 nan 0.000 0.606 245 G N 1.228 110.044 108.800 0.027 0.000 2.296 245 G HA2 -0.163 3.797 3.960 0.001 0.000 0.188 245 G HA3 -0.163 3.797 3.960 0.001 0.000 0.188 245 G C -0.138 174.745 174.900 -0.027 0.000 1.000 245 G CA -0.581 44.549 45.100 0.050 0.000 0.672 245 G HN 0.041 nan 8.290 nan 0.000 0.483 246 L N 1.796 122.990 121.223 -0.049 0.000 2.334 246 L HA 0.692 5.033 4.340 0.001 0.000 0.277 246 L C 0.604 177.410 176.870 -0.107 0.000 1.075 246 L CA -0.494 54.294 54.840 -0.088 0.000 0.804 246 L CB 1.751 43.762 42.059 -0.080 0.000 1.174 246 L HN 0.216 nan 8.230 nan 0.000 0.438 247 S N 2.318 117.931 115.700 -0.145 0.000 2.489 247 S HA 0.369 4.840 4.470 0.001 0.000 0.291 247 S C -0.490 174.036 174.600 -0.123 0.000 1.151 247 S CA -0.541 57.566 58.200 -0.154 0.000 1.082 247 S CB 0.967 64.029 63.200 -0.230 0.000 1.019 247 S HN 0.645 nan 8.310 nan 0.000 0.492 248 Q N 3.315 123.053 119.800 -0.104 0.000 3.122 248 Q HA 0.289 4.630 4.340 0.001 0.000 0.282 248 Q C 0.818 176.760 176.000 -0.097 0.000 0.947 248 Q CA -0.455 55.293 55.803 -0.092 0.000 0.812 248 Q CB 0.963 29.655 28.738 -0.077 0.000 1.333 248 Q HN 0.916 nan 8.270 nan 0.000 0.430 249 G N 0.261 109.001 108.800 -0.101 0.000 2.920 249 G HA2 -0.153 3.807 3.960 0.001 0.000 0.208 249 G HA3 -0.153 3.807 3.960 0.001 0.000 0.208 249 G C 1.371 176.220 174.900 -0.085 0.000 1.159 249 G CA 0.742 45.787 45.100 -0.092 0.000 0.784 249 G HN 0.520 nan 8.290 nan 0.000 0.535 250 S N -0.349 115.300 115.700 -0.086 0.000 2.395 250 S HA 0.272 4.743 4.470 0.001 0.000 0.225 250 S C 2.119 176.633 174.600 -0.142 0.000 1.027 250 S CA 1.292 59.441 58.200 -0.085 0.000 0.965 250 S CB -0.352 62.819 63.200 -0.048 0.000 0.812 250 S HN 1.408 nan 8.310 nan 0.000 0.482 251 G N 0.323 109.020 108.800 -0.171 0.000 2.162 251 G HA2 -0.220 3.740 3.960 0.001 0.000 0.260 251 G HA3 -0.220 3.740 3.960 0.001 0.000 0.260 251 G C 0.051 174.777 174.900 -0.291 0.000 0.976 251 G CA 0.267 45.228 45.100 -0.231 0.000 0.655 251 G HN 0.808 nan 8.290 nan 0.000 0.533 252 V N 0.342 120.073 119.914 -0.305 0.000 2.532 252 V HA 0.884 5.005 4.120 0.001 0.000 0.295 252 V C 0.563 176.307 176.094 -0.584 0.000 1.041 252 V CA 0.036 62.069 62.300 -0.445 0.000 0.926 252 V CB 1.606 33.203 31.823 -0.377 0.000 0.992 252 V HN 1.258 nan 8.190 nan 0.000 0.457 253 A N 3.646 125.930 122.820 -0.894 0.000 2.527 253 A HA 0.975 5.296 4.320 0.001 0.000 0.293 253 A C -1.536 175.389 177.584 -1.098 0.000 1.117 253 A CA -0.490 51.000 52.037 -0.912 0.000 0.723 253 A CB 1.559 19.887 19.000 -1.121 0.000 1.313 253 A HN 0.580 nan 8.150 nan 0.000 0.411 254 F N 0.797 120.656 119.950 -0.151 0.000 2.551 254 F HA 0.433 4.961 4.527 0.001 0.000 0.316 254 F C 0.232 176.248 175.800 0.360 0.000 1.089 254 F CA -0.629 57.456 58.000 0.140 0.000 0.915 254 F CB 1.965 41.013 39.000 0.079 0.000 1.186 254 F HN 0.733 nan 8.300 nan 0.000 0.456 255 D N 0.112 120.893 120.400 0.636 0.000 2.414 255 D HA 0.079 4.720 4.640 0.001 0.000 0.251 255 D C 0.237 176.729 176.300 0.320 0.000 1.252 255 D CA -0.405 53.876 54.000 0.468 0.000 0.999 255 D CB 0.314 41.165 40.800 0.086 0.000 1.093 255 D HN 0.567 nan 8.370 nan 0.000 0.515 256 N N -1.099 117.746 118.700 0.240 0.000 2.520 256 N HA -0.085 4.655 4.740 0.001 0.000 0.185 256 N C 0.297 175.888 175.510 0.136 0.000 1.068 256 N CA 0.515 53.660 53.050 0.159 0.000 0.911 256 N CB 0.050 38.611 38.487 0.123 0.000 0.961 256 N HN 0.468 nan 8.380 nan 0.000 0.446 257 E N 0.537 120.852 120.200 0.192 0.000 2.423 257 E HA 0.100 4.451 4.350 0.001 0.000 0.198 257 E C -0.203 176.412 176.600 0.025 0.000 1.038 257 E CA -0.099 56.406 56.400 0.175 0.000 1.011 257 E CB 0.353 30.263 29.700 0.350 0.000 1.118 257 E HN 0.058 nan 8.360 nan 0.000 0.451 258 K N -0.448 119.981 120.400 0.049 0.000 3.274 258 K HA -0.198 4.122 4.320 0.001 0.000 0.300 258 K C -0.667 175.954 176.600 0.035 0.000 1.230 258 K CA 0.803 57.070 56.287 -0.033 0.000 0.884 258 K CB -1.941 30.443 32.500 -0.194 0.000 1.242 258 K HN 0.185 nan 8.250 nan 0.000 0.467 259 F N 1.098 121.231 119.950 0.304 0.000 2.438 259 F HA 0.353 4.880 4.527 0.001 0.000 0.356 259 F C 1.342 177.467 175.800 0.542 0.000 1.099 259 F CA -0.161 58.083 58.000 0.406 0.000 1.185 259 F CB 0.796 39.938 39.000 0.236 0.000 1.115 259 F HN 0.063 nan 8.300 nan 0.000 0.526 260 A N 4.699 127.944 122.820 0.709 0.000 2.386 260 A HA 0.530 4.851 4.320 0.001 0.000 0.248 260 A C -1.055 176.591 177.584 0.102 0.000 1.082 260 A CA -0.106 51.972 52.037 0.068 0.000 0.789 260 A CB 0.030 19.013 19.000 -0.028 0.000 1.025 260 A HN 0.820 nan 8.150 nan 0.000 0.490 261 Y N -0.567 119.572 120.300 -0.267 0.000 2.670 261 Y HA 0.594 5.145 4.550 0.001 0.000 0.334 261 Y C -0.814 174.959 175.900 -0.212 0.000 1.185 261 Y CA -1.502 56.499 58.100 -0.164 0.000 1.053 261 Y CB 1.246 39.718 38.460 0.021 0.000 1.298 261 Y HN 0.459 nan 8.280 nan 0.000 0.459 262 N N 2.604 121.332 118.700 0.046 0.000 2.589 262 N HA 0.260 5.001 4.740 0.001 0.000 0.232 262 N C -0.462 174.984 175.510 -0.107 0.000 1.015 262 N CA -0.434 52.545 53.050 -0.118 0.000 0.931 262 N CB 0.575 38.983 38.487 -0.131 0.000 1.150 262 N HN 0.812 nan 8.380 nan 0.000 0.512 263 I N -0.060 120.370 120.570 -0.234 0.000 3.585 263 I HA 0.229 4.400 4.170 0.001 0.000 0.325 263 I C 0.590 176.464 176.117 -0.405 0.000 1.370 263 I CA -0.723 60.414 61.300 -0.272 0.000 1.298 263 I CB -0.568 37.254 38.000 -0.297 0.000 1.387 263 I HN 0.103 nan 8.210 nan 0.000 0.466 264 N N 4.084 122.568 118.700 -0.360 0.000 2.236 264 N HA -0.159 4.582 4.740 0.001 0.000 0.274 264 N C 0.469 175.601 175.510 -0.630 0.000 1.339 264 N CA 0.684 53.506 53.050 -0.380 0.000 0.845 264 N CB 0.264 38.590 38.487 -0.268 0.000 1.091 264 N HN 0.793 nan 8.380 nan 0.000 0.489 265 N N 1.819 120.199 118.700 -0.535 0.000 2.238 265 N HA 0.010 4.750 4.740 0.001 0.000 0.222 265 N C -0.658 174.755 175.510 -0.162 0.000 1.133 265 N CA -0.576 52.079 53.050 -0.659 0.000 0.854 265 N CB 0.151 38.473 38.487 -0.275 0.000 1.041 265 N HN 0.322 nan 8.380 nan 0.000 0.510 266 N N 1.306 119.946 118.700 -0.100 0.000 2.458 266 N HA 0.188 4.928 4.740 0.001 0.000 0.258 266 N C 0.600 176.261 175.510 0.251 0.000 1.219 266 N CA 1.201 54.297 53.050 0.077 0.000 0.902 266 N CB 1.372 39.883 38.487 0.039 0.000 1.076 266 N HN 0.565 nan 8.380 nan 0.000 0.455 267 G N 0.607 109.568 108.800 0.268 0.000 2.334 267 G HA2 0.052 4.012 3.960 0.001 0.000 0.249 267 G HA3 0.052 4.012 3.960 0.001 0.000 0.249 267 G C -1.742 173.265 174.900 0.177 0.000 1.327 267 G CA -0.715 44.542 45.100 0.261 0.000 0.979 267 G HN 0.835 nan 8.290 nan 0.000 0.471 268 H N -1.323 117.757 119.070 0.016 0.000 3.014 268 H HA 0.743 5.299 4.556 0.001 0.000 0.337 268 H C -1.395 173.802 175.328 -0.218 0.000 1.320 268 H CA -0.757 55.215 56.048 -0.128 0.000 1.128 268 H CB 1.561 31.278 29.762 -0.076 0.000 1.862 268 H HN 0.930 nan 8.280 nan 0.000 0.536 269 M N 2.432 121.911 119.600 -0.201 0.000 2.457 269 M HA 0.471 4.951 4.480 0.001 0.000 0.300 269 M C -2.116 174.192 176.300 0.013 0.000 1.141 269 M CA -1.185 54.011 55.300 -0.173 0.000 0.901 269 M CB 2.625 35.105 32.600 -0.199 0.000 1.687 269 M HN 0.564 nan 8.290 nan 0.000 0.449 270 L N 4.743 126.007 121.223 0.069 0.000 2.376 270 L HA 0.633 4.973 4.340 0.001 0.000 0.275 270 L C -1.397 175.466 176.870 -0.012 0.000 0.987 270 L CA -0.133 54.797 54.840 0.150 0.000 0.828 270 L CB 1.563 43.771 42.059 0.249 0.000 1.249 270 L HN 0.850 nan 8.230 nan 0.000 0.409 271 R N 5.580 126.076 120.500 -0.007 0.000 2.480 271 R HA 0.700 5.041 4.340 0.001 0.000 0.306 271 R C -1.696 174.555 176.300 -0.081 0.000 0.958 271 R CA -0.578 55.473 56.100 -0.081 0.000 0.861 271 R CB 1.256 31.520 30.300 -0.059 0.000 1.171 271 R HN 0.766 nan 8.270 nan 0.000 0.445 272 I N 5.878 126.392 120.570 -0.092 0.000 2.439 272 I HA 0.334 4.504 4.170 0.001 0.000 0.283 272 I C -0.807 175.219 176.117 -0.151 0.000 1.023 272 I CA -0.500 60.725 61.300 -0.126 0.000 1.100 272 I CB 1.855 39.866 38.000 0.018 0.000 1.238 272 I HN 0.426 nan 8.210 nan 0.000 0.445 273 L N 5.939 126.999 121.223 -0.272 0.000 2.362 273 L HA 0.623 4.963 4.340 0.001 0.000 0.271 273 L C -1.403 175.417 176.870 -0.084 0.000 1.002 273 L CA -0.371 54.362 54.840 -0.177 0.000 0.818 273 L CB 2.116 44.005 42.059 -0.283 0.000 1.298 273 L HN 0.566 nan 8.230 nan 0.000 0.420 274 D N 2.503 122.987 120.400 0.139 0.000 2.763 274 D HA 0.341 4.982 4.640 0.001 0.000 0.235 274 D C -1.570 174.948 176.300 0.363 0.000 1.334 274 D CA -0.225 53.954 54.000 0.299 0.000 0.950 274 D CB 1.366 42.419 40.800 0.422 0.000 1.433 274 D HN 0.756 nan 8.370 nan 0.000 0.580 275 H N 0.642 119.801 119.070 0.149 0.000 2.977 275 H HA 0.860 5.416 4.556 0.001 0.000 0.350 275 H C -0.359 174.795 175.328 -0.289 0.000 1.238 275 H CA -0.845 55.155 56.048 -0.080 0.000 1.124 275 H CB 2.166 31.941 29.762 0.022 0.000 1.866 275 H HN 0.517 nan 8.280 nan 0.000 0.550 276 G N -0.799 107.443 108.800 -0.930 0.000 2.320 276 G HA2 0.561 4.522 3.960 0.001 0.000 0.296 276 G HA3 0.561 4.522 3.960 0.001 0.000 0.296 276 G C -1.946 172.372 174.900 -0.969 0.000 1.306 276 G CA -0.471 43.950 45.100 -1.132 0.000 0.836 276 G HN 1.111 nan 8.290 nan 0.000 0.517 277 A N -0.194 122.153 122.820 -0.788 0.000 2.398 277 A HA 0.863 5.183 4.320 0.001 0.000 0.301 277 A C -0.475 177.088 177.584 -0.035 0.000 1.041 277 A CA -0.444 51.483 52.037 -0.183 0.000 0.711 277 A CB 0.926 20.015 19.000 0.149 0.000 1.240 277 A HN 1.919 nan 8.150 nan 0.000 0.420 278 I N -0.990 119.646 120.570 0.109 0.000 2.647 278 I HA 0.750 4.921 4.170 0.001 0.000 0.295 278 I C -0.543 175.652 176.117 0.130 0.000 1.078 278 I CA -0.615 60.759 61.300 0.122 0.000 1.048 278 I CB 2.464 40.542 38.000 0.129 0.000 1.239 278 I HN 0.311 nan 8.210 nan 0.000 0.421 279 S N 6.167 121.940 115.700 0.122 0.000 2.462 279 S HA 0.626 5.096 4.470 0.001 0.000 0.294 279 S C -0.291 174.372 174.600 0.106 0.000 1.144 279 S CA -0.686 57.588 58.200 0.124 0.000 1.088 279 S CB 1.352 64.620 63.200 0.114 0.000 1.009 279 S HN 0.606 nan 8.310 nan 0.000 0.484 280 M N 3.538 123.213 119.600 0.126 0.000 2.065 280 M HA 0.468 4.949 4.480 0.001 0.000 0.308 280 M C 0.620 176.992 176.300 0.120 0.000 0.939 280 M CA -0.203 55.147 55.300 0.083 0.000 0.890 280 M CB 0.650 33.261 32.600 0.017 0.000 1.383 280 M HN 1.007 nan 8.290 nan 0.000 0.381 281 G N 1.420 110.279 108.800 0.097 0.000 2.482 281 G HA2 -0.178 3.783 3.960 0.001 0.000 0.214 281 G HA3 -0.178 3.783 3.960 0.001 0.000 0.214 281 G C -0.307 174.648 174.900 0.092 0.000 1.271 281 G CA -0.254 44.907 45.100 0.102 0.000 0.944 281 G HN 0.540 nan 8.290 nan 0.000 0.568 282 D N 0.292 120.740 120.400 0.080 0.000 2.422 282 D HA 0.089 4.729 4.640 0.001 0.000 0.218 282 D C 1.682 177.951 176.300 -0.051 0.000 1.047 282 D CA 0.269 54.280 54.000 0.018 0.000 0.885 282 D CB 0.120 40.923 40.800 0.005 0.000 1.035 282 D HN 0.290 nan 8.370 nan 0.000 0.502 283 N N -0.378 118.299 118.700 -0.039 0.000 2.236 283 N HA 0.038 4.778 4.740 0.001 0.000 0.196 283 N C -0.567 174.581 175.510 -0.604 0.000 1.114 283 N CA 0.118 52.940 53.050 -0.379 0.000 0.859 283 N CB 0.889 39.126 38.487 -0.416 0.000 0.982 283 N HN 0.143 nan 8.380 nan 0.000 0.493 284 W N 0.480 121.722 121.300 -0.097 0.000 3.022 284 W HA 0.405 5.065 4.660 0.001 0.000 0.335 284 W C -0.794 175.708 176.519 -0.028 0.000 1.133 284 W CA -0.574 56.744 57.345 -0.045 0.000 1.219 284 W CB 1.343 30.812 29.460 0.014 0.000 1.409 284 W HN -0.262 nan 8.180 nan 0.000 0.507 285 D N 2.216 122.764 120.400 0.247 0.000 2.601 285 D HA 0.718 5.358 4.640 0.001 0.000 0.230 285 D C -1.203 175.212 176.300 0.192 0.000 1.106 285 D CA -0.672 53.423 54.000 0.159 0.000 0.873 285 D CB 2.149 42.982 40.800 0.056 0.000 1.515 285 D HN 0.421 nan 8.370 nan 0.000 0.468 286 M N 2.422 122.110 119.600 0.146 0.000 2.307 286 M HA 0.348 4.828 4.480 0.001 0.000 0.279 286 M C -1.951 174.431 176.300 0.137 0.000 1.080 286 M CA -0.494 54.899 55.300 0.155 0.000 0.964 286 M CB 1.334 34.047 32.600 0.187 0.000 1.825 286 M HN 0.405 nan 8.290 nan 0.000 0.489 287 M N 3.587 123.233 119.600 0.078 0.000 2.598 287 M HA 0.787 5.268 4.480 0.001 0.000 0.317 287 M C -1.477 174.907 176.300 0.140 0.000 1.201 287 M CA -0.786 54.515 55.300 0.002 0.000 0.971 287 M CB 1.427 33.955 32.600 -0.120 0.000 1.657 287 M HN 0.674 nan 8.290 nan 0.000 0.470 288 Y N -0.998 119.365 120.300 0.105 0.000 2.552 288 Y HA 0.822 5.373 4.550 0.001 0.000 0.337 288 Y C -1.738 174.282 175.900 0.199 0.000 1.094 288 Y CA -1.473 56.709 58.100 0.137 0.000 1.028 288 Y CB 0.847 39.360 38.460 0.089 0.000 1.321 288 Y HN 0.623 nan 8.280 nan 0.000 0.456 289 V N 0.046 120.160 119.914 0.333 0.000 3.040 289 V HA 1.044 5.165 4.120 0.001 0.000 0.312 289 V C -0.241 176.036 176.094 0.304 0.000 1.115 289 V CA -0.617 61.856 62.300 0.287 0.000 0.998 289 V CB 1.720 33.671 31.823 0.213 0.000 1.042 289 V HN 1.427 nan 8.190 nan 0.000 0.433 290 G N 2.078 111.025 108.800 0.246 0.000 2.668 290 G HA2 0.659 4.620 3.960 0.001 0.000 0.284 290 G HA3 0.659 4.620 3.960 0.001 0.000 0.284 290 G C -1.392 173.584 174.900 0.128 0.000 1.456 290 G CA -0.438 44.792 45.100 0.217 0.000 1.214 290 G HN 0.856 nan 8.290 nan 0.000 0.568 291 M N 2.598 122.224 119.600 0.043 0.000 2.520 291 M HA 0.718 5.198 4.480 0.001 0.000 0.283 291 M C -2.383 173.809 176.300 -0.179 0.000 1.237 291 M CA -1.146 54.082 55.300 -0.120 0.000 0.885 291 M CB 2.911 35.302 32.600 -0.348 0.000 1.727 291 M HN 0.579 nan 8.290 nan 0.000 0.468 292 Y N 2.920 122.966 120.300 -0.424 0.000 2.327 292 Y HA 0.507 5.058 4.550 0.001 0.000 0.325 292 Y C -1.668 173.921 175.900 -0.517 0.000 0.999 292 Y CA -0.323 57.318 58.100 -0.764 0.000 1.195 292 Y CB 1.431 39.228 38.460 -1.104 0.000 1.132 292 Y HN 0.737 nan 8.280 nan 0.000 0.455 293 Q N 4.904 124.079 119.800 -1.041 0.000 2.331 293 Q HA 0.339 4.680 4.340 0.001 0.000 0.267 293 Q C -1.913 173.648 176.000 -0.732 0.000 1.006 293 Q CA -0.766 54.638 55.803 -0.664 0.000 0.818 293 Q CB 1.411 30.030 28.738 -0.199 0.000 1.276 293 Q HN 0.789 nan 8.270 nan 0.000 0.450 294 D N 4.849 124.887 120.400 -0.604 0.000 2.454 294 D HA 0.294 4.934 4.640 0.001 0.000 0.247 294 D C -1.008 175.093 176.300 -0.331 0.000 1.129 294 D CA -0.349 53.400 54.000 -0.419 0.000 0.877 294 D CB 0.674 41.310 40.800 -0.274 0.000 1.082 294 D HN 0.514 nan 8.370 nan 0.000 0.537 295 I N 3.531 123.862 120.570 -0.398 0.000 2.297 295 I HA 0.267 4.438 4.170 0.001 0.000 0.291 295 I C 0.002 175.715 176.117 -0.674 0.000 1.033 295 I CA -0.632 60.292 61.300 -0.628 0.000 1.253 295 I CB 0.905 38.422 38.000 -0.805 0.000 1.396 295 I HN 0.357 nan 8.210 nan 0.000 0.476 296 N N 6.843 125.111 118.700 -0.720 0.000 2.511 296 N HA 0.285 5.025 4.740 0.001 0.000 0.249 296 N C -1.169 174.116 175.510 -0.375 0.000 0.971 296 N CA -0.575 52.173 53.050 -0.504 0.000 0.938 296 N CB 1.031 39.204 38.487 -0.524 0.000 1.131 296 N HN 0.356 nan 8.380 nan 0.000 0.505 297 W N 1.875 123.091 121.300 -0.139 0.000 2.578 297 W HA 0.281 4.942 4.660 0.001 0.000 0.346 297 W C 0.834 177.318 176.519 -0.059 0.000 1.075 297 W CA -0.687 56.600 57.345 -0.095 0.000 1.233 297 W CB 1.226 30.640 29.460 -0.076 0.000 1.358 297 W HN 0.533 nan 8.180 nan 0.000 0.574 298 D N 0.762 121.315 120.400 0.255 0.000 2.178 298 D HA -0.198 4.442 4.640 0.001 0.000 0.201 298 D C 1.490 177.832 176.300 0.070 0.000 0.980 298 D CA 1.600 55.671 54.000 0.118 0.000 0.842 298 D CB -0.201 40.644 40.800 0.074 0.000 0.948 298 D HN 0.395 nan 8.370 nan 0.000 0.472 299 N N -0.057 118.673 118.700 0.050 0.000 2.461 299 N HA -0.068 4.672 4.740 0.001 0.000 0.188 299 N C -0.284 175.245 175.510 0.032 0.000 1.134 299 N CA 0.433 53.483 53.050 0.001 0.000 0.878 299 N CB 0.143 38.583 38.487 -0.077 0.000 0.972 299 N HN -0.124 nan 8.380 nan 0.000 0.456 300 D N -2.283 118.169 120.400 0.085 0.000 3.079 300 D HA -0.188 4.452 4.640 0.001 0.000 0.214 300 D C -0.072 176.252 176.300 0.038 0.000 1.145 300 D CA 0.857 54.883 54.000 0.045 0.000 0.958 300 D CB -1.533 39.259 40.800 -0.014 0.000 1.117 300 D HN 0.394 nan 8.370 nan 0.000 0.416 301 N N -0.311 118.483 118.700 0.156 0.000 2.235 301 N HA 0.247 4.988 4.740 0.001 0.000 0.209 301 N C 0.973 176.654 175.510 0.284 0.000 1.122 301 N CA 0.716 53.858 53.050 0.154 0.000 0.845 301 N CB 0.181 38.756 38.487 0.148 0.000 1.004 301 N HN 0.329 nan 8.380 nan 0.000 0.499 302 G N -0.668 108.264 108.800 0.220 0.000 2.466 302 G HA2 0.300 4.260 3.960 0.001 0.000 0.279 302 G HA3 0.300 4.260 3.960 0.001 0.000 0.279 302 G C -0.282 174.537 174.900 -0.136 0.000 1.410 302 G CA 0.335 45.339 45.100 -0.161 0.000 1.065 302 G HN 0.303 nan 8.290 nan 0.000 0.547 303 T N -3.058 111.379 114.554 -0.196 0.000 2.853 303 T HA 0.605 4.955 4.350 0.001 0.000 0.311 303 T C -1.062 173.584 174.700 -0.089 0.000 1.307 303 T CA -0.931 61.127 62.100 -0.071 0.000 1.019 303 T CB 2.295 71.180 68.868 0.029 0.000 1.264 303 T HN 0.477 nan 8.240 nan 0.000 0.497 304 K N 0.830 121.234 120.400 0.006 0.000 2.483 304 K HA 0.465 4.785 4.320 0.001 0.000 0.256 304 K C -1.848 174.803 176.600 0.085 0.000 0.961 304 K CA -0.668 55.598 56.287 -0.035 0.000 0.873 304 K CB 1.293 33.846 32.500 0.088 0.000 1.107 304 K HN 0.653 nan 8.250 nan 0.000 0.432 305 W N 5.365 126.471 121.300 -0.324 0.000 2.606 305 W HA 0.468 5.128 4.660 0.001 0.000 0.332 305 W C -1.842 174.493 176.519 -0.308 0.000 1.052 305 W CA -1.194 56.030 57.345 -0.201 0.000 1.223 305 W CB 0.767 30.103 29.460 -0.207 0.000 1.383 305 W HN 0.500 nan 8.180 nan 0.000 0.524 306 W N 4.682 126.031 121.300 0.083 0.000 2.839 306 W HA 0.533 5.194 4.660 0.001 0.000 0.334 306 W C -0.457 175.971 176.519 -0.151 0.000 1.064 306 W CA -0.506 56.825 57.345 -0.024 0.000 1.236 306 W CB 2.220 31.803 29.460 0.205 0.000 1.405 306 W HN 0.275 nan 8.180 nan 0.000 0.478 307 T N 0.623 115.180 114.554 0.005 0.000 2.906 307 T HA 0.802 5.153 4.350 0.001 0.000 0.295 307 T C -0.786 174.061 174.700 0.245 0.000 1.061 307 T CA -0.995 61.167 62.100 0.103 0.000 1.000 307 T CB 1.652 70.472 68.868 -0.081 0.000 1.103 307 T HN 0.580 nan 8.240 nan 0.000 0.486 308 V N -2.026 118.081 119.914 0.321 0.000 2.924 308 V HA 1.009 5.129 4.120 0.001 0.000 0.300 308 V C -0.400 175.776 176.094 0.137 0.000 1.227 308 V CA -0.494 61.959 62.300 0.254 0.000 0.954 308 V CB 1.338 33.286 31.823 0.208 0.000 1.055 308 V HN 1.512 nan 8.190 nan 0.000 0.429 309 G N 3.210 112.093 108.800 0.138 0.000 2.646 309 G HA2 0.839 4.799 3.960 0.001 0.000 0.291 309 G HA3 0.839 4.799 3.960 0.001 0.000 0.291 309 G C -1.462 173.527 174.900 0.148 0.000 1.445 309 G CA -0.231 44.843 45.100 -0.044 0.000 0.814 309 G HN 1.862 nan 8.290 nan 0.000 0.495 310 I N -2.208 118.427 120.570 0.108 0.000 2.894 310 I HA 0.878 5.048 4.170 0.001 0.000 0.302 310 I C -0.895 175.314 176.117 0.153 0.000 1.188 310 I CA -1.488 59.914 61.300 0.169 0.000 1.014 310 I CB 2.811 40.887 38.000 0.126 0.000 1.242 310 I HN 0.534 nan 8.210 nan 0.000 0.430 311 R N 5.072 125.672 120.500 0.167 0.000 2.487 311 R HA 0.508 4.848 4.340 0.001 0.000 0.288 311 R C -2.932 173.458 176.300 0.149 0.000 1.394 311 R CA -1.380 54.810 56.100 0.149 0.000 1.155 311 R CB 1.617 31.999 30.300 0.137 0.000 1.156 311 R HN 0.476 nan 8.270 nan 0.000 0.553 312 P HA 0.192 nan 4.420 nan 0.000 0.290 312 P C -1.088 176.357 177.300 0.240 0.000 1.276 312 P CA -0.479 62.777 63.100 0.260 0.000 0.808 312 P CB 1.662 33.545 31.700 0.305 0.000 0.966 313 M N 4.908 124.626 119.600 0.196 0.000 2.311 313 M HA 0.366 4.846 4.480 0.001 0.000 0.325 313 M C -1.905 174.274 176.300 -0.202 0.000 1.061 313 M CA -1.090 54.215 55.300 0.007 0.000 0.957 313 M CB 1.771 34.349 32.600 -0.035 0.000 1.646 313 M HN 0.341 nan 8.290 nan 0.000 0.434 314 Y N 5.492 125.407 120.300 -0.642 0.000 2.328 314 Y HA 0.439 4.990 4.550 0.001 0.000 0.333 314 Y C -1.021 174.301 175.900 -0.963 0.000 0.958 314 Y CA -0.755 56.588 58.100 -1.262 0.000 1.167 314 Y CB 1.051 38.443 38.460 -1.782 0.000 1.151 314 Y HN 0.521 nan 8.280 nan 0.000 0.470 315 K N 5.553 125.101 120.400 -1.420 0.000 2.285 315 K HA 0.069 4.390 4.320 0.001 0.000 0.286 315 K C -0.390 175.546 176.600 -1.106 0.000 1.072 315 K CA -0.303 55.401 56.287 -0.972 0.000 0.913 315 K CB 0.913 33.081 32.500 -0.554 0.000 1.067 315 K HN 0.863 nan 8.250 nan 0.000 0.479 316 W N 1.869 122.880 121.300 -0.482 0.000 2.494 316 W HA -0.022 4.639 4.660 0.001 0.000 0.286 316 W C 0.657 177.055 176.519 -0.201 0.000 1.218 316 W CA 0.243 57.425 57.345 -0.272 0.000 1.313 316 W CB 0.538 29.916 29.460 -0.136 0.000 1.105 316 W HN 0.392 nan 8.180 nan 0.000 0.561 317 T N -1.426 113.164 114.554 0.061 0.000 2.865 317 T HA 0.181 4.532 4.350 0.001 0.000 0.294 317 T C -2.164 172.512 174.700 -0.041 0.000 1.119 317 T CA -1.103 61.008 62.100 0.019 0.000 1.007 317 T CB 1.681 70.580 68.868 0.052 0.000 1.225 317 T HN -0.492 nan 8.240 nan 0.000 0.515 318 P HA 0.124 nan 4.420 nan 0.000 0.223 318 P C 0.969 178.258 177.300 -0.018 0.000 1.151 318 P CA 0.676 63.759 63.100 -0.029 0.000 0.787 318 P CB -0.023 31.674 31.700 -0.005 0.000 0.788 319 I N -5.953 114.620 120.570 0.006 0.000 4.009 319 I HA 0.433 4.604 4.170 0.001 0.000 0.331 319 I C 0.158 176.264 176.117 -0.019 0.000 1.462 319 I CA -0.302 61.016 61.300 0.031 0.000 1.117 319 I CB 0.078 38.136 38.000 0.097 0.000 1.091 319 I HN -0.176 nan 8.210 nan 0.000 0.410 320 M N 2.343 121.889 119.600 -0.092 0.000 2.378 320 M HA 0.655 5.135 4.480 0.001 0.000 0.289 320 M C -1.454 174.783 176.300 -0.104 0.000 1.136 320 M CA -0.077 55.070 55.300 -0.255 0.000 0.917 320 M CB 2.191 34.586 32.600 -0.342 0.000 1.669 320 M HN 0.272 nan 8.290 nan 0.000 0.461 321 S N 1.725 117.344 115.700 -0.135 0.000 2.688 321 S HA 0.726 5.197 4.470 0.001 0.000 0.275 321 S C -1.112 173.528 174.600 0.067 0.000 1.175 321 S CA -0.796 57.396 58.200 -0.013 0.000 0.818 321 S CB 2.174 65.268 63.200 -0.177 0.000 1.157 321 S HN 0.677 nan 8.310 nan 0.000 0.482 322 T N 1.393 115.994 114.554 0.079 0.000 2.815 322 T HA 0.629 4.979 4.350 0.001 0.000 0.289 322 T C -0.695 174.042 174.700 0.062 0.000 1.000 322 T CA -0.402 61.790 62.100 0.152 0.000 0.958 322 T CB 0.981 70.046 68.868 0.328 0.000 0.944 322 T HN 0.598 nan 8.240 nan 0.000 0.442 323 V N 4.714 124.680 119.914 0.087 0.000 2.612 323 V HA 0.702 4.823 4.120 0.001 0.000 0.301 323 V C -0.014 176.165 176.094 0.142 0.000 1.046 323 V CA -0.953 61.405 62.300 0.096 0.000 0.946 323 V CB 1.753 33.631 31.823 0.093 0.000 1.003 323 V HN 0.913 nan 8.190 nan 0.000 0.459 324 M N 3.083 122.773 119.600 0.150 0.000 2.378 324 M HA 0.632 5.113 4.480 0.001 0.000 0.289 324 M C -1.300 175.098 176.300 0.162 0.000 1.136 324 M CA -0.292 55.108 55.300 0.166 0.000 0.917 324 M CB 2.348 35.046 32.600 0.163 0.000 1.669 324 M HN 0.832 nan 8.290 nan 0.000 0.461 325 E N 4.039 124.342 120.200 0.172 0.000 2.266 325 E HA 0.704 5.054 4.350 0.001 0.000 0.268 325 E C -1.891 174.792 176.600 0.139 0.000 0.879 325 E CA -0.707 55.790 56.400 0.162 0.000 0.762 325 E CB 2.100 31.918 29.700 0.197 0.000 1.199 325 E HN 0.790 nan 8.360 nan 0.000 0.422 326 I N 2.976 123.586 120.570 0.067 0.000 2.500 326 I HA 0.471 4.642 4.170 0.001 0.000 0.286 326 I C -0.216 175.788 176.117 -0.189 0.000 1.063 326 I CA -0.462 60.852 61.300 0.022 0.000 1.062 326 I CB 2.142 40.166 38.000 0.041 0.000 1.223 326 I HN 0.544 nan 8.210 nan 0.000 0.435 327 G N 4.383 113.010 108.800 -0.287 0.000 2.524 327 G HA2 0.627 4.588 3.960 0.001 0.000 0.310 327 G HA3 0.627 4.588 3.960 0.001 0.000 0.310 327 G C -2.289 172.543 174.900 -0.113 0.000 1.279 327 G CA -0.524 44.067 45.100 -0.848 0.000 0.974 327 G HN 0.387 nan 8.290 nan 0.000 0.484 328 Y N 1.175 121.400 120.300 -0.125 0.000 2.386 328 Y HA 0.505 5.055 4.550 0.001 0.000 0.334 328 Y C -1.106 174.958 175.900 0.273 0.000 1.002 328 Y CA -1.002 57.185 58.100 0.146 0.000 1.068 328 Y CB 1.998 40.527 38.460 0.115 0.000 1.203 328 Y HN 0.448 nan 8.280 nan 0.000 0.443 329 D N 4.524 124.698 120.400 -0.377 0.000 2.340 329 D HA 0.290 4.931 4.640 0.001 0.000 0.240 329 D C -1.355 174.673 176.300 -0.453 0.000 1.001 329 D CA -0.515 53.396 54.000 -0.148 0.000 0.888 329 D CB 2.103 42.997 40.800 0.158 0.000 1.310 329 D HN 0.598 nan 8.370 nan 0.000 0.474 330 N N 1.519 120.237 118.700 0.030 0.000 2.655 330 N HA 0.162 4.902 4.740 0.001 0.000 0.277 330 N C -1.924 173.820 175.510 0.390 0.000 1.177 330 N CA -0.241 52.896 53.050 0.144 0.000 0.882 330 N CB 1.487 40.105 38.487 0.218 0.000 1.481 330 N HN 0.028 nan 8.380 nan 0.000 0.547 331 V N 2.227 122.312 119.914 0.285 0.000 2.459 331 V HA 0.468 4.588 4.120 0.001 0.000 0.295 331 V C 0.253 176.598 176.094 0.418 0.000 1.029 331 V CA -0.773 61.717 62.300 0.316 0.000 0.874 331 V CB 1.767 33.671 31.823 0.135 0.000 0.985 331 V HN 0.571 nan 8.190 nan 0.000 0.438 332 E N 2.527 122.957 120.200 0.384 0.000 2.183 332 E HA 0.418 4.768 4.350 0.001 0.000 0.271 332 E C -0.492 176.180 176.600 0.119 0.000 0.919 332 E CA -0.409 56.183 56.400 0.320 0.000 0.781 332 E CB 1.783 31.622 29.700 0.231 0.000 1.140 332 E HN 0.678 nan 8.360 nan 0.000 0.402 333 S N 3.006 118.550 115.700 -0.259 0.000 2.531 333 S HA -0.044 4.426 4.470 0.001 0.000 0.279 333 S C 0.947 175.302 174.600 -0.409 0.000 1.305 333 S CA 0.051 57.777 58.200 -0.789 0.000 1.058 333 S CB 1.273 63.511 63.200 -1.604 0.000 0.899 333 S HN 0.738 nan 8.310 nan 0.000 0.493 334 Q N 4.269 123.884 119.800 -0.309 0.000 2.046 334 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 334 Q C 2.206 178.084 176.000 -0.203 0.000 0.975 334 Q CA 1.413 57.108 55.803 -0.180 0.000 0.836 334 Q CB -0.152 28.518 28.738 -0.115 0.000 0.896 334 Q HN 0.851 nan 8.270 nan 0.000 0.428 335 R N -0.359 119.980 120.500 -0.269 0.000 2.096 335 R HA -0.115 4.226 4.340 0.001 0.000 0.235 335 R C 1.885 178.030 176.300 -0.257 0.000 1.127 335 R CA 1.946 57.901 56.100 -0.243 0.000 0.968 335 R CB -0.123 30.010 30.300 -0.278 0.000 0.861 335 R HN 0.427 nan 8.270 nan 0.000 0.440 336 T N -4.507 109.831 114.554 -0.360 0.000 3.044 336 T HA 0.247 4.598 4.350 0.001 0.000 0.260 336 T C 1.202 175.777 174.700 -0.208 0.000 1.019 336 T CA 0.398 62.327 62.100 -0.284 0.000 0.921 336 T CB 0.911 69.574 68.868 -0.342 0.000 1.053 336 T HN 0.392 nan 8.240 nan 0.000 0.533 337 G N 1.429 110.107 108.800 -0.203 0.000 2.205 337 G HA2 -0.283 3.678 3.960 0.001 0.000 0.269 337 G HA3 -0.283 3.678 3.960 0.001 0.000 0.269 337 G C -0.191 174.674 174.900 -0.059 0.000 0.977 337 G CA 0.568 45.609 45.100 -0.099 0.000 0.652 337 G HN 0.668 nan 8.290 nan 0.000 0.539 338 D N 0.026 120.357 120.400 -0.114 0.000 2.377 338 D HA 0.590 5.230 4.640 0.001 0.000 0.245 338 D C 0.645 177.095 176.300 0.250 0.000 1.196 338 D CA 0.291 54.331 54.000 0.067 0.000 0.962 338 D CB 0.518 41.411 40.800 0.154 0.000 1.127 338 D HN 0.289 nan 8.370 nan 0.000 0.471 339 K N 0.917 121.526 120.400 0.348 0.000 2.443 339 K HA 0.427 4.748 4.320 0.001 0.000 0.252 339 K C -1.182 175.585 176.600 0.278 0.000 0.933 339 K CA -0.937 55.570 56.287 0.367 0.000 0.792 339 K CB 1.557 34.212 32.500 0.257 0.000 1.185 339 K HN 0.275 nan 8.250 nan 0.000 0.425 340 N N 2.730 121.540 118.700 0.183 0.000 2.405 340 N HA 0.376 5.116 4.740 0.001 0.000 0.299 340 N C -1.142 174.394 175.510 0.043 0.000 1.075 340 N CA -0.598 52.437 53.050 -0.024 0.000 0.884 340 N CB 1.284 39.558 38.487 -0.355 0.000 1.194 340 N HN 0.752 nan 8.380 nan 0.000 0.491 341 N N -0.327 118.404 118.700 0.051 0.000 2.823 341 N HA 0.342 5.083 4.740 0.001 0.000 0.251 341 N C -1.701 173.844 175.510 0.059 0.000 1.392 341 N CA -0.659 52.402 53.050 0.019 0.000 0.864 341 N CB 2.691 41.225 38.487 0.078 0.000 1.481 341 N HN 0.492 nan 8.380 nan 0.000 0.508 342 Q N 0.251 120.041 119.800 -0.017 0.000 2.527 342 Q HA 0.332 4.673 4.340 0.001 0.000 0.280 342 Q C -2.211 173.895 176.000 0.177 0.000 0.977 342 Q CA -0.826 55.026 55.803 0.083 0.000 0.837 342 Q CB 2.056 30.839 28.738 0.074 0.000 1.454 342 Q HN 0.688 nan 8.270 nan 0.000 0.387 343 Y N 0.266 120.698 120.300 0.220 0.000 2.406 343 Y HA 0.671 5.221 4.550 0.001 0.000 0.340 343 Y C -1.593 174.422 175.900 0.191 0.000 0.975 343 Y CA -0.942 57.311 58.100 0.255 0.000 1.056 343 Y CB 1.679 40.338 38.460 0.332 0.000 1.210 343 Y HN 0.541 nan 8.280 nan 0.000 0.448 344 K N 5.439 126.043 120.400 0.340 0.000 2.270 344 K HA 0.659 4.980 4.320 0.001 0.000 0.255 344 K C -1.698 175.107 176.600 0.342 0.000 0.936 344 K CA -0.799 55.660 56.287 0.286 0.000 0.809 344 K CB 1.250 33.917 32.500 0.279 0.000 1.131 344 K HN 0.981 nan 8.250 nan 0.000 0.427 345 I N 3.500 124.309 120.570 0.398 0.000 2.448 345 I HA 0.181 4.351 4.170 0.001 0.000 0.281 345 I C -0.618 175.702 176.117 0.338 0.000 1.027 345 I CA -0.580 60.925 61.300 0.343 0.000 1.111 345 I CB 2.092 40.307 38.000 0.358 0.000 1.236 345 I HN 0.484 nan 8.210 nan 0.000 0.452 346 T N 6.592 121.322 114.554 0.292 0.000 2.888 346 T HA 0.541 4.891 4.350 0.001 0.000 0.284 346 T C -0.751 174.115 174.700 0.277 0.000 1.017 346 T CA -0.577 61.716 62.100 0.322 0.000 1.022 346 T CB 2.210 71.258 68.868 0.301 0.000 1.013 346 T HN 0.235 nan 8.240 nan 0.000 0.465 347 L N 2.527 123.934 121.223 0.306 0.000 2.406 347 L HA 0.813 5.153 4.340 0.001 0.000 0.272 347 L C -1.187 175.858 176.870 0.292 0.000 0.980 347 L CA -0.556 54.435 54.840 0.252 0.000 0.831 347 L CB 0.891 43.071 42.059 0.203 0.000 1.253 347 L HN 0.873 nan 8.230 nan 0.000 0.406 348 A N 4.243 127.218 122.820 0.259 0.000 2.454 348 A HA 0.716 5.036 4.320 0.001 0.000 0.302 348 A C -1.289 176.410 177.584 0.191 0.000 1.079 348 A CA -0.557 51.648 52.037 0.280 0.000 0.731 348 A CB 1.962 21.156 19.000 0.324 0.000 1.299 348 A HN 0.596 nan 8.150 nan 0.000 0.413 349 Q N 1.110 121.015 119.800 0.174 0.000 2.368 349 Q HA 0.475 4.816 4.340 0.001 0.000 0.263 349 Q C -0.445 175.537 176.000 -0.029 0.000 1.009 349 Q CA -0.189 55.634 55.803 0.033 0.000 0.818 349 Q CB 0.910 29.665 28.738 0.029 0.000 1.239 349 Q HN 0.796 nan 8.270 nan 0.000 0.464 350 Q N 2.171 121.883 119.800 -0.147 0.000 2.495 350 Q HA 0.569 4.909 4.340 0.001 0.000 0.283 350 Q C -1.034 174.761 176.000 -0.341 0.000 1.097 350 Q CA -0.862 54.917 55.803 -0.040 0.000 0.836 350 Q CB 1.739 30.543 28.738 0.110 0.000 1.426 350 Q HN 0.561 nan 8.270 nan 0.000 0.459 351 W N 1.804 123.145 121.300 0.068 0.000 2.499 351 W HA 0.292 4.952 4.660 0.001 0.000 0.320 351 W C -1.154 175.379 176.519 0.023 0.000 1.010 351 W CA -0.392 56.980 57.345 0.046 0.000 1.267 351 W CB 2.209 31.692 29.460 0.039 0.000 1.316 351 W HN 0.748 nan 8.180 nan 0.000 0.431 352 Q N 1.182 121.064 119.800 0.138 0.000 2.306 352 Q HA 0.668 5.009 4.340 0.001 0.000 0.269 352 Q C -0.082 175.959 176.000 0.069 0.000 1.053 352 Q CA -0.863 54.987 55.803 0.078 0.000 0.879 352 Q CB 1.244 29.989 28.738 0.012 0.000 1.344 352 Q HN 0.393 nan 8.270 nan 0.000 0.464 353 A N 0.397 123.237 122.820 0.033 0.000 3.215 353 A HA 0.692 5.013 4.320 0.001 0.000 0.269 353 A C 0.117 177.713 177.584 0.019 0.000 1.517 353 A CA 0.464 52.519 52.037 0.030 0.000 1.221 353 A CB -1.104 17.905 19.000 0.016 0.000 1.160 353 A HN 0.796 nan 8.150 nan 0.000 0.620 354 G N 0.155 108.968 108.800 0.022 0.000 2.339 354 G HA2 0.341 4.302 3.960 0.001 0.000 0.302 354 G HA3 0.341 4.302 3.960 0.001 0.000 0.302 354 G C -0.647 174.257 174.900 0.007 0.000 1.425 354 G CA 0.033 45.144 45.100 0.019 0.000 0.899 354 G HN 0.331 nan 8.290 nan 0.000 0.619 355 D N -0.780 119.623 120.400 0.006 0.000 2.388 355 D HA 0.300 4.940 4.640 0.001 0.000 0.221 355 D C 0.660 176.955 176.300 -0.007 0.000 1.133 355 D CA 0.119 54.107 54.000 -0.020 0.000 0.831 355 D CB 0.835 41.620 40.800 -0.026 0.000 0.962 355 D HN 0.351 nan 8.370 nan 0.000 0.502 356 S N -0.014 115.703 115.700 0.027 0.000 2.681 356 S HA 0.429 4.899 4.470 0.001 0.000 0.299 356 S C 0.808 175.424 174.600 0.027 0.000 1.113 356 S CA -0.810 57.432 58.200 0.070 0.000 1.013 356 S CB 1.369 64.671 63.200 0.170 0.000 1.076 356 S HN 0.215 nan 8.310 nan 0.000 0.534 357 I N 1.225 121.798 120.570 0.004 0.000 3.251 357 I HA 0.115 4.286 4.170 0.001 0.000 0.277 357 I C 0.154 176.145 176.117 -0.209 0.000 1.268 357 I CA 0.552 61.772 61.300 -0.133 0.000 1.449 357 I CB 0.127 38.002 38.000 -0.208 0.000 1.083 357 I HN 0.724 nan 8.210 nan 0.000 0.464 358 W N 0.783 122.097 121.300 0.023 0.000 3.239 358 W HA 0.175 4.836 4.660 0.001 0.000 0.348 358 W C 0.912 177.383 176.519 -0.081 0.000 1.183 358 W CA -0.462 56.903 57.345 0.033 0.000 1.819 358 W CB 0.222 29.761 29.460 0.131 0.000 1.091 358 W HN 0.031 nan 8.180 nan 0.000 0.629 359 S N 1.777 117.521 115.700 0.072 0.000 2.513 359 S HA 0.598 5.069 4.470 0.001 0.000 0.276 359 S C -0.014 174.477 174.600 -0.182 0.000 1.254 359 S CA -0.801 57.378 58.200 -0.034 0.000 1.053 359 S CB 1.462 64.667 63.200 0.009 0.000 0.958 359 S HN -0.024 nan 8.310 nan 0.000 0.491 360 R N 1.521 121.842 120.500 -0.298 0.000 2.807 360 R HA 0.581 4.921 4.340 0.001 0.000 0.276 360 R C -2.934 173.271 176.300 -0.160 0.000 0.979 360 R CA -2.308 53.586 56.100 -0.343 0.000 0.928 360 R CB 0.412 30.257 30.300 -0.757 0.000 1.191 360 R HN 0.396 nan 8.270 nan 0.000 0.471 361 P HA 0.204 nan 4.420 nan 0.000 0.271 361 P C -1.181 176.094 177.300 -0.042 0.000 1.238 361 P CA -0.021 63.041 63.100 -0.064 0.000 0.794 361 P CB 0.563 32.248 31.700 -0.025 0.000 0.959 362 A N 0.980 123.801 122.820 0.002 0.000 2.513 362 A HA 0.621 4.942 4.320 0.001 0.000 0.296 362 A C -1.308 176.349 177.584 0.122 0.000 1.052 362 A CA -0.380 51.696 52.037 0.065 0.000 0.714 362 A CB 0.755 19.771 19.000 0.027 0.000 1.279 362 A HN 0.373 nan 8.150 nan 0.000 0.397 363 I N 2.294 122.993 120.570 0.215 0.000 2.418 363 I HA 0.461 4.632 4.170 0.001 0.000 0.287 363 I C -0.060 176.279 176.117 0.369 0.000 1.008 363 I CA -0.460 60.983 61.300 0.237 0.000 1.104 363 I CB 1.980 40.087 38.000 0.178 0.000 1.264 363 I HN 0.738 nan 8.210 nan 0.000 0.438 364 R N 4.938 125.639 120.500 0.335 0.000 2.711 364 R HA 0.791 5.132 4.340 0.001 0.000 0.284 364 R C -1.267 175.303 176.300 0.449 0.000 0.968 364 R CA -0.949 55.391 56.100 0.399 0.000 0.924 364 R CB 2.612 33.127 30.300 0.358 0.000 1.162 364 R HN 0.247 nan 8.270 nan 0.000 0.465 365 V N 4.045 124.226 119.914 0.445 0.000 2.443 365 V HA 0.485 4.605 4.120 0.001 0.000 0.293 365 V C -0.995 175.302 176.094 0.337 0.000 1.021 365 V CA -0.548 61.957 62.300 0.342 0.000 0.848 365 V CB 0.746 32.762 31.823 0.322 0.000 0.998 365 V HN 0.680 nan 8.190 nan 0.000 0.424 366 F N 3.079 123.208 119.950 0.298 0.000 2.664 366 F HA 1.038 5.566 4.527 0.001 0.000 0.329 366 F C -0.283 175.741 175.800 0.374 0.000 1.090 366 F CA -1.493 56.684 58.000 0.295 0.000 0.978 366 F CB 1.881 41.045 39.000 0.274 0.000 1.378 366 F HN 0.525 nan 8.300 nan 0.000 0.495 367 A N 0.783 123.906 122.820 0.505 0.000 2.459 367 A HA 0.724 5.045 4.320 0.001 0.000 0.296 367 A C -1.220 176.767 177.584 0.671 0.000 1.039 367 A CA -0.554 51.806 52.037 0.539 0.000 0.698 367 A CB 1.305 20.534 19.000 0.381 0.000 1.261 367 A HN 0.849 nan 8.150 nan 0.000 0.405 368 T N 1.291 116.305 114.554 0.766 0.000 2.887 368 T HA 0.649 4.999 4.350 0.001 0.000 0.288 368 T C -1.581 173.528 174.700 0.682 0.000 1.021 368 T CA -0.166 62.334 62.100 0.666 0.000 1.000 368 T CB 1.223 70.485 68.868 0.656 0.000 1.034 368 T HN 0.679 nan 8.240 nan 0.000 0.467 369 Y N 1.419 121.953 120.300 0.389 0.000 2.386 369 Y HA 0.647 5.197 4.550 0.001 0.000 0.334 369 Y C -1.186 174.774 175.900 0.099 0.000 1.002 369 Y CA -0.772 57.490 58.100 0.270 0.000 1.068 369 Y CB 0.990 39.585 38.460 0.226 0.000 1.203 369 Y HN 0.845 nan 8.280 nan 0.000 0.443 370 A N 5.407 127.761 122.820 -0.776 0.000 2.401 370 A HA 0.794 5.114 4.320 0.001 0.000 0.310 370 A C -1.678 175.299 177.584 -1.012 0.000 1.075 370 A CA -0.961 50.624 52.037 -0.755 0.000 0.746 370 A CB 1.589 20.182 19.000 -0.679 0.000 1.277 370 A HN 0.691 nan 8.150 nan 0.000 0.425 371 K N 1.423 121.323 120.400 -0.832 0.000 2.578 371 K HA 0.590 4.910 4.320 0.001 0.000 0.250 371 K C -1.247 175.110 176.600 -0.405 0.000 0.955 371 K CA -0.374 55.444 56.287 -0.781 0.000 0.825 371 K CB 0.725 32.772 32.500 -0.754 0.000 1.151 371 K HN 0.902 nan 8.250 nan 0.000 0.432 372 W N 1.478 122.584 121.300 -0.323 0.000 2.894 372 W HA 0.754 5.414 4.660 0.001 0.000 0.345 372 W C -1.121 175.345 176.519 -0.087 0.000 1.152 372 W CA -0.832 56.406 57.345 -0.179 0.000 1.089 372 W CB 1.071 30.440 29.460 -0.151 0.000 1.454 372 W HN 0.545 nan 8.180 nan 0.000 0.589 373 D N 0.394 120.929 120.400 0.225 0.000 2.362 373 D HA 0.119 4.759 4.640 0.001 0.000 0.232 373 D C -1.441 174.954 176.300 0.158 0.000 1.329 373 D CA -0.275 53.801 54.000 0.127 0.000 0.944 373 D CB 0.595 41.443 40.800 0.079 0.000 1.471 373 D HN 0.489 nan 8.370 nan 0.000 0.533 374 E N 2.427 122.732 120.200 0.176 0.000 2.156 374 E HA 0.346 4.697 4.350 0.001 0.000 0.279 374 E C 0.138 176.786 176.600 0.079 0.000 0.965 374 E CA -0.673 55.758 56.400 0.052 0.000 0.789 374 E CB 2.264 31.938 29.700 -0.043 0.000 1.098 374 E HN 0.238 nan 8.360 nan 0.000 0.397 375 K N 2.840 123.303 120.400 0.105 0.000 2.440 375 K HA 0.142 4.462 4.320 0.001 0.000 0.206 375 K C -0.549 176.245 176.600 0.323 0.000 1.025 375 K CA -0.152 56.253 56.287 0.196 0.000 1.135 375 K CB 0.499 33.117 32.500 0.197 0.000 0.856 375 K HN 0.548 nan 8.250 nan 0.000 0.502 376 W N -1.309 120.006 121.300 0.025 0.000 3.161 376 W HA 0.535 5.196 4.660 0.001 0.000 0.314 376 W C -1.318 175.170 176.519 -0.051 0.000 1.245 376 W CA -1.022 56.299 57.345 -0.041 0.000 1.191 376 W CB 0.289 29.677 29.460 -0.119 0.000 1.392 376 W HN -0.062 nan 8.180 nan 0.000 0.568 377 G N 0.550 109.579 108.800 0.382 0.000 2.721 377 G HA2 0.655 4.616 3.960 0.001 0.000 0.296 377 G HA3 0.655 4.616 3.960 0.001 0.000 0.296 377 G C -2.703 172.273 174.900 0.126 0.000 1.383 377 G CA -0.992 44.207 45.100 0.166 0.000 0.788 377 G HN 0.470 nan 8.290 nan 0.000 0.500 378 Y N -0.093 120.300 120.300 0.155 0.000 2.352 378 Y HA 0.427 4.977 4.550 0.001 0.000 0.326 378 Y C -0.001 175.738 175.900 -0.268 0.000 1.166 378 Y CA -0.451 57.560 58.100 -0.148 0.000 1.182 378 Y CB 1.788 40.041 38.460 -0.345 0.000 1.216 378 Y HN 0.350 nan 8.280 nan 0.000 0.474 379 D N 1.744 121.925 120.400 -0.365 0.000 2.393 379 D HA 0.087 4.728 4.640 0.001 0.000 0.232 379 D C -0.843 175.153 176.300 -0.507 0.000 1.192 379 D CA 0.126 53.987 54.000 -0.233 0.000 0.882 379 D CB 0.002 40.613 40.800 -0.315 0.000 1.038 379 D HN 0.424 nan 8.370 nan 0.000 0.499 380 Y N 1.262 121.551 120.300 -0.018 0.000 2.636 380 Y HA 0.114 4.664 4.550 0.001 0.000 0.260 380 Y C 1.023 177.005 175.900 0.137 0.000 1.177 380 Y CA -0.457 57.515 58.100 -0.214 0.000 1.209 380 Y CB 0.026 38.411 38.460 -0.123 0.000 1.166 380 Y HN 0.206 nan 8.280 nan 0.000 0.531 381 T N -2.349 112.393 114.554 0.313 0.000 2.904 381 T HA 0.599 4.949 4.350 0.001 0.000 0.290 381 T C 1.095 176.016 174.700 0.368 0.000 1.018 381 T CA 0.255 62.538 62.100 0.306 0.000 1.075 381 T CB 1.538 70.567 68.868 0.267 0.000 0.986 381 T HN 0.612 nan 8.240 nan 0.000 0.523 382 G N 2.108 111.062 108.800 0.258 0.000 2.520 382 G HA2 -0.190 3.770 3.960 0.001 0.000 0.248 382 G HA3 -0.190 3.770 3.960 0.001 0.000 0.248 382 G C -0.390 174.548 174.900 0.063 0.000 1.161 382 G CA 0.048 45.249 45.100 0.168 0.000 0.946 382 G HN 1.099 nan 8.290 nan 0.000 0.565 383 N N -0.443 118.166 118.700 -0.151 0.000 2.494 383 N HA 0.517 5.258 4.740 0.001 0.000 0.270 383 N C 1.045 176.016 175.510 -0.898 0.000 1.285 383 N CA 0.114 52.863 53.050 -0.503 0.000 0.812 383 N CB 1.696 39.931 38.487 -0.420 0.000 1.557 383 N HN 1.130 nan 8.380 nan 0.000 0.487 384 A N 0.650 122.836 122.820 -1.056 0.000 2.015 384 A HA -0.133 4.187 4.320 0.001 0.000 0.219 384 A C 1.442 178.808 177.584 -0.364 0.000 1.163 384 A CA 1.676 53.242 52.037 -0.784 0.000 0.646 384 A CB -0.268 18.583 19.000 -0.247 0.000 0.806 384 A HN 0.771 nan 8.150 nan 0.000 0.448 385 D N -0.372 119.668 120.400 -0.600 0.000 2.144 385 D HA -0.081 4.560 4.640 0.001 0.000 0.207 385 D C 1.813 177.939 176.300 -0.289 0.000 0.970 385 D CA 1.032 54.738 54.000 -0.489 0.000 0.853 385 D CB -0.165 40.001 40.800 -1.058 0.000 1.007 385 D HN 0.275 nan 8.370 nan 0.000 0.469 386 N N 0.579 119.095 118.700 -0.307 0.000 2.084 386 N HA -0.122 4.618 4.740 0.001 0.000 0.190 386 N C 0.641 176.116 175.510 -0.059 0.000 1.030 386 N CA 0.694 53.659 53.050 -0.142 0.000 0.849 386 N CB -0.499 37.926 38.487 -0.104 0.000 1.012 386 N HN 0.190 nan 8.380 nan 0.000 0.423 387 N N -0.090 118.583 118.700 -0.045 0.000 2.508 387 N HA 0.322 5.063 4.740 0.001 0.000 0.285 387 N C -0.110 175.430 175.510 0.051 0.000 1.144 387 N CA -0.024 53.065 53.050 0.065 0.000 0.978 387 N CB 1.564 40.188 38.487 0.227 0.000 1.180 387 N HN 0.090 nan 8.380 nan 0.000 0.484 388 A N 2.022 124.881 122.820 0.066 0.000 2.312 388 A HA 0.201 4.522 4.320 0.001 0.000 0.215 388 A C 0.865 178.463 177.584 0.023 0.000 1.256 388 A CA -0.046 52.015 52.037 0.039 0.000 0.966 388 A CB 0.071 19.088 19.000 0.028 0.000 1.053 388 A HN 0.605 nan 8.150 nan 0.000 0.510 389 N N -0.683 118.028 118.700 0.018 0.000 2.270 389 N HA 0.191 4.931 4.740 0.001 0.000 0.198 389 N C -0.291 175.144 175.510 -0.124 0.000 1.117 389 N CA -0.354 52.644 53.050 -0.087 0.000 0.845 389 N CB -0.339 38.048 38.487 -0.166 0.000 0.980 389 N HN 0.414 nan 8.380 nan 0.000 0.486 390 F N 1.252 121.102 119.950 -0.167 0.000 2.569 390 F HA 0.192 4.720 4.527 0.001 0.000 0.395 390 F C 1.564 177.183 175.800 -0.302 0.000 1.028 390 F CA 0.922 58.787 58.000 -0.225 0.000 1.158 390 F CB 0.006 38.847 39.000 -0.265 0.000 1.023 390 F HN 0.293 nan 8.300 nan 0.000 0.547 391 G N 3.738 111.911 108.800 -1.046 0.000 2.143 391 G HA2 -0.277 3.683 3.960 0.001 0.000 0.249 391 G HA3 -0.277 3.683 3.960 0.001 0.000 0.249 391 G C 0.158 174.889 174.900 -0.282 0.000 0.981 391 G CA 0.081 44.745 45.100 -0.726 0.000 0.665 391 G HN 0.657 nan 8.290 nan 0.000 0.528 392 K N 0.126 120.343 120.400 -0.306 0.000 2.166 392 K HA 0.756 5.076 4.320 0.001 0.000 0.245 392 K C 0.607 177.014 176.600 -0.322 0.000 0.967 392 K CA -0.213 55.948 56.287 -0.211 0.000 0.863 392 K CB 1.739 34.078 32.500 -0.268 0.000 1.107 392 K HN 0.468 nan 8.250 nan 0.000 0.436 393 A N 1.375 123.945 122.820 -0.417 0.000 2.425 393 A HA 0.406 4.727 4.320 0.001 0.000 0.249 393 A C -0.488 176.744 177.584 -0.587 0.000 1.084 393 A CA -0.177 51.459 52.037 -0.669 0.000 0.781 393 A CB 0.472 18.896 19.000 -0.960 0.000 1.019 393 A HN 0.393 nan 8.150 nan 0.000 0.490 394 V N 3.700 123.300 119.914 -0.524 0.000 3.120 394 V HA 0.432 4.552 4.120 0.001 0.000 0.303 394 V C -2.531 173.358 176.094 -0.341 0.000 1.238 394 V CA -1.509 60.386 62.300 -0.675 0.000 1.008 394 V CB 2.741 33.853 31.823 -1.185 0.000 1.064 394 V HN 0.797 nan 8.190 nan 0.000 0.434 395 P HA 0.206 nan 4.420 nan 0.000 0.272 395 P C 0.403 177.810 177.300 0.178 0.000 1.230 395 P CA 0.307 63.435 63.100 0.047 0.000 0.788 395 P CB 0.700 32.453 31.700 0.088 0.000 0.949 396 A N 2.145 125.117 122.820 0.253 0.000 1.986 396 A HA -0.218 4.102 4.320 0.001 0.000 0.220 396 A C 1.159 178.980 177.584 0.394 0.000 1.171 396 A CA 2.460 54.685 52.037 0.314 0.000 0.640 396 A CB -1.281 17.851 19.000 0.220 0.000 0.811 396 A HN 0.703 nan 8.150 nan 0.000 0.451 397 D N -3.083 117.514 120.400 0.329 0.000 2.469 397 D HA 0.170 4.810 4.640 0.001 0.000 0.215 397 D C 0.292 176.797 176.300 0.343 0.000 1.154 397 D CA -0.717 53.468 54.000 0.308 0.000 0.832 397 D CB -0.795 40.110 40.800 0.176 0.000 1.008 397 D HN 0.234 nan 8.370 nan 0.000 0.506 398 F N 2.901 122.944 119.950 0.156 0.000 2.537 398 F HA -0.074 4.453 4.527 0.001 0.000 0.402 398 F C 1.035 176.919 175.800 0.139 0.000 1.005 398 F CA 0.630 58.636 58.000 0.012 0.000 1.203 398 F CB 0.023 38.827 39.000 -0.327 0.000 0.955 398 F HN 0.116 nan 8.300 nan 0.000 0.547 399 N N 4.271 122.612 118.700 -0.599 0.000 2.716 399 N HA -0.222 4.518 4.740 0.001 0.000 0.250 399 N C 0.964 176.414 175.510 -0.100 0.000 1.033 399 N CA 0.890 53.650 53.050 -0.484 0.000 0.727 399 N CB -1.190 36.858 38.487 -0.732 0.000 0.950 399 N HN 1.323 nan 8.380 nan 0.000 0.541 400 G N -1.812 106.985 108.800 -0.005 0.000 2.175 400 G HA2 -0.298 3.663 3.960 0.001 0.000 0.265 400 G HA3 -0.298 3.663 3.960 0.001 0.000 0.265 400 G C 0.668 175.632 174.900 0.106 0.000 0.979 400 G CA 1.004 46.135 45.100 0.051 0.000 0.663 400 G HN 0.782 nan 8.290 nan 0.000 0.533 401 G N -0.932 108.013 108.800 0.242 0.000 2.510 401 G HA2 0.592 4.552 3.960 0.001 0.000 0.280 401 G HA3 0.592 4.552 3.960 0.001 0.000 0.280 401 G C -0.080 174.857 174.900 0.061 0.000 1.386 401 G CA 0.478 45.675 45.100 0.161 0.000 1.047 401 G HN 0.918 nan 8.290 nan 0.000 0.527 402 S N -0.641 114.866 115.700 -0.323 0.000 2.659 402 S HA 0.605 5.075 4.470 0.001 0.000 0.312 402 S C -1.500 172.759 174.600 -0.569 0.000 1.114 402 S CA -0.235 57.841 58.200 -0.206 0.000 1.063 402 S CB 0.857 63.979 63.200 -0.131 0.000 0.996 402 S HN 0.358 nan 8.310 nan 0.000 0.478 403 F N 1.311 121.317 119.950 0.095 0.000 2.547 403 F HA 0.776 5.303 4.527 0.001 0.000 0.316 403 F C 0.746 176.578 175.800 0.053 0.000 1.121 403 F CA -0.221 57.826 58.000 0.079 0.000 0.911 403 F CB 2.010 41.060 39.000 0.085 0.000 1.179 403 F HN 0.900 nan 8.300 nan 0.000 0.443 404 G N 2.270 111.158 108.800 0.146 0.000 2.661 404 G HA2 -0.175 3.786 3.960 0.001 0.000 0.685 404 G HA3 -0.175 3.786 3.960 0.001 0.000 0.685 404 G C -0.069 174.849 174.900 0.030 0.000 1.298 404 G CA -0.956 44.160 45.100 0.026 0.000 0.855 404 G HN 0.727 nan 8.290 nan 0.000 0.560 405 R N 0.455 120.954 120.500 -0.002 0.000 2.299 405 R HA 0.428 4.769 4.340 0.001 0.000 0.197 405 R C 1.835 178.329 176.300 0.325 0.000 0.971 405 R CA 2.047 58.181 56.100 0.057 0.000 1.030 405 R CB -0.297 29.844 30.300 -0.266 0.000 0.932 405 R HN 2.281 nan 8.270 nan 0.000 0.477 406 G N 0.557 109.513 108.800 0.260 0.000 2.508 406 G HA2 -0.252 3.709 3.960 0.001 0.000 0.220 406 G HA3 -0.252 3.709 3.960 0.001 0.000 0.220 406 G C -1.393 173.642 174.900 0.225 0.000 1.287 406 G CA -0.157 45.085 45.100 0.236 0.000 0.916 406 G HN 0.280 nan 8.290 nan 0.000 0.574 407 D N 0.013 120.424 120.400 0.020 0.000 2.473 407 D HA 0.689 5.330 4.640 0.001 0.000 0.253 407 D C -0.105 175.951 176.300 -0.407 0.000 1.233 407 D CA 0.623 54.522 54.000 -0.169 0.000 0.908 407 D CB 1.235 41.997 40.800 -0.064 0.000 1.170 407 D HN 0.711 nan 8.370 nan 0.000 0.558 408 S N 2.682 117.770 115.700 -1.020 0.000 2.800 408 S HA 0.577 5.048 4.470 0.001 0.000 0.293 408 S C -1.734 171.983 174.600 -1.471 0.000 1.209 408 S CA -0.523 57.037 58.200 -1.067 0.000 0.884 408 S CB 1.331 64.075 63.200 -0.759 0.000 1.244 408 S HN 0.438 nan 8.310 nan 0.000 0.540 409 D N 0.266 120.013 120.400 -1.088 0.000 2.636 409 D HA 0.839 5.479 4.640 0.001 0.000 0.275 409 D C -1.424 174.594 176.300 -0.471 0.000 1.130 409 D CA 0.124 53.647 54.000 -0.794 0.000 1.031 409 D CB 1.917 42.547 40.800 -0.283 0.000 1.451 409 D HN 0.418 nan 8.370 nan 0.000 0.505 410 E N -0.334 119.708 120.200 -0.263 0.000 2.418 410 E HA 0.322 4.673 4.350 0.001 0.000 0.283 410 E C -1.910 174.799 176.600 0.181 0.000 1.178 410 E CA -0.780 55.665 56.400 0.075 0.000 0.929 410 E CB 0.317 30.160 29.700 0.238 0.000 1.177 410 E HN 0.409 nan 8.360 nan 0.000 0.429 411 W N 2.722 124.167 121.300 0.241 0.000 3.032 411 W HA 0.826 5.487 4.660 0.001 0.000 0.335 411 W C -1.074 175.732 176.519 0.479 0.000 1.154 411 W CA -0.348 57.223 57.345 0.377 0.000 1.204 411 W CB 0.708 30.420 29.460 0.419 0.000 1.416 411 W HN 0.739 nan 8.180 nan 0.000 0.521 412 T N -0.203 114.716 114.554 0.609 0.000 2.831 412 T HA 0.915 5.265 4.350 0.001 0.000 0.287 412 T C -1.061 174.020 174.700 0.635 0.000 1.070 412 T CA -0.646 61.655 62.100 0.334 0.000 1.010 412 T CB 2.512 71.587 68.868 0.345 0.000 1.264 412 T HN 0.955 nan 8.240 nan 0.000 0.532 413 F N -2.695 117.396 119.950 0.236 0.000 2.746 413 F HA 0.803 5.330 4.527 0.001 0.000 0.311 413 F C -0.426 175.247 175.800 -0.212 0.000 1.135 413 F CA -0.386 57.567 58.000 -0.079 0.000 0.954 413 F CB 1.017 40.084 39.000 0.112 0.000 1.276 413 F HN 1.165 nan 8.300 nan 0.000 0.440 414 G N 0.076 108.459 108.800 -0.696 0.000 2.325 414 G HA2 0.734 4.695 3.960 0.001 0.000 0.295 414 G HA3 0.734 4.695 3.960 0.001 0.000 0.295 414 G C -2.355 172.454 174.900 -0.153 0.000 1.274 414 G CA -0.306 44.713 45.100 -0.135 0.000 0.857 414 G HN 1.602 nan 8.290 nan 0.000 0.499 415 A N -0.619 122.337 122.820 0.227 0.000 2.365 415 A HA 0.911 5.231 4.320 0.001 0.000 0.318 415 A C -0.384 177.407 177.584 0.345 0.000 1.091 415 A CA -0.310 51.908 52.037 0.302 0.000 0.763 415 A CB 2.037 21.175 19.000 0.230 0.000 1.248 415 A HN 0.898 nan 8.150 nan 0.000 0.442 416 Q N 1.206 121.216 119.800 0.349 0.000 2.511 416 Q HA 0.626 4.966 4.340 0.001 0.000 0.289 416 Q C -1.828 174.283 176.000 0.186 0.000 1.021 416 Q CA -0.805 55.148 55.803 0.250 0.000 0.785 416 Q CB 2.106 30.996 28.738 0.253 0.000 1.472 416 Q HN 0.839 nan 8.270 nan 0.000 0.411 417 M N 2.146 121.822 119.600 0.127 0.000 2.464 417 M HA 0.562 5.042 4.480 0.001 0.000 0.308 417 M C -1.979 174.365 176.300 0.073 0.000 1.127 417 M CA -0.169 55.184 55.300 0.089 0.000 0.913 417 M CB 2.038 34.668 32.600 0.050 0.000 1.689 417 M HN 0.839 nan 8.290 nan 0.000 0.445 418 E N 3.922 124.150 120.200 0.048 0.000 2.331 418 E HA 0.751 5.101 4.350 0.001 0.000 0.275 418 E C -2.112 174.458 176.600 -0.052 0.000 0.895 418 E CA -0.689 55.725 56.400 0.024 0.000 0.753 418 E CB 2.797 32.570 29.700 0.123 0.000 1.216 418 E HN 0.857 nan 8.360 nan 0.000 0.434 419 I N 4.024 124.536 120.570 -0.097 0.000 2.731 419 I HA 0.436 4.606 4.170 0.001 0.000 0.289 419 I C -2.089 174.145 176.117 0.195 0.000 1.399 419 I CA -0.579 60.704 61.300 -0.029 0.000 1.048 419 I CB 0.823 38.845 38.000 0.037 0.000 1.345 419 I HN 0.687 nan 8.210 nan 0.000 0.425 420 W N 6.526 127.941 121.300 0.192 0.000 2.666 420 W HA 0.863 5.523 4.660 0.001 0.000 0.334 420 W C -1.414 175.251 176.519 0.244 0.000 1.051 420 W CA -0.617 56.836 57.345 0.179 0.000 1.224 420 W CB 0.269 29.848 29.460 0.199 0.000 1.405 420 W HN 0.633 nan 8.180 nan 0.000 0.513 421 W N 0.000 121.441 121.300 0.235 0.000 2.388 421 W HA 0.000 4.660 4.660 0.001 0.000 0.303 421 W CA 0.000 57.423 57.345 0.130 0.000 1.226 421 W CB 0.000 29.443 29.460 -0.028 0.000 1.126 421 W HN 0.000 nan 8.180 nan 0.000 0.535