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 1hb9_1_G DATA FIRST_RESID 15 DATA SEQUENCE LRNQQAMAAN LQARQIVLQQ SYPVIQQVET QTFDPANRSV FDVTPANVGI DATA SEQUENCE VKGFLVKVTA AITNNHATEA VALTDFGPAN LVQRVIYYDP DNQRHTETSG DATA SEQUENCE WHLHFVNTAK QGAPFLSSMV TDSPIKYGDV MNVIDAPATI AAGATGELTM DATA SEQUENCE YYWVPLAYSE TDLTGAVLAN VPQSKQRLKL EFANNNTAFA AVGANPLEAI DATA SEQUENCE YQGAGAADCE FEEISYTVYQ SYLDQLPVGQ NGYILPLIDL STLYNLENSA DATA SEQUENCE QAGLTPNVDF VVQYANLYRY LSTIAVFDNG GSFNAGTDIN YLSQRTANFS DATA SEQUENCE DTRKLDPKTW AAQTRRRIAT DFPKGVYYCD NRDKPIYTLQ YGNVGFVVNP DATA SEQUENCE KTVNQNARLL MGYEYFTSRT 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.869 176.870 -0.002 0.000 1.165 15 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 15 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 16 R N -0.606 119.892 120.500 -0.003 0.000 3.520 16 R HA -0.190 4.150 4.340 0.000 0.000 0.595 16 R C 1.239 177.535 176.300 -0.006 0.000 0.241 16 R CA 2.646 58.744 56.100 -0.004 0.000 1.835 16 R CB -2.427 27.872 30.300 -0.003 0.000 0.891 16 R HN 2.907 nan 8.270 nan 0.000 0.612 17 N N -2.122 116.573 118.700 -0.008 0.000 2.308 17 N HA -0.357 4.383 4.740 0.000 0.000 0.217 17 N C 1.666 177.167 175.510 -0.014 0.000 0.387 17 N CA 2.737 55.780 53.050 -0.012 0.000 4.100 17 N CB -1.337 37.142 38.487 -0.012 0.000 0.810 17 N HN 1.041 nan 8.380 nan 0.000 0.245 18 Q N 1.626 121.419 119.800 -0.011 0.000 2.133 18 Q HA -0.188 4.152 4.340 0.000 0.000 0.208 18 Q C 2.178 178.171 176.000 -0.011 0.000 0.991 18 Q CA 2.905 58.701 55.803 -0.012 0.000 0.867 18 Q CB -0.252 28.482 28.738 -0.008 0.000 0.911 18 Q HN 0.787 nan 8.270 nan 0.000 0.417 19 Q N -1.718 118.076 119.800 -0.009 0.000 2.212 19 Q HA 0.083 4.423 4.340 0.000 0.000 0.199 19 Q C 2.031 178.025 176.000 -0.010 0.000 0.950 19 Q CA 0.939 56.737 55.803 -0.008 0.000 0.863 19 Q CB -0.306 28.429 28.738 -0.005 0.000 0.944 19 Q HN 0.341 nan 8.270 nan 0.000 0.465 20 A N 1.829 124.642 122.820 -0.011 0.000 1.877 20 A HA -0.108 4.212 4.320 0.000 0.000 0.216 20 A C 2.232 179.804 177.584 -0.019 0.000 1.186 20 A CA 1.550 53.579 52.037 -0.013 0.000 0.620 20 A CB -0.527 18.464 19.000 -0.014 0.000 0.822 20 A HN 0.355 nan 8.150 nan 0.000 0.443 21 M N -0.619 118.966 119.600 -0.024 0.000 2.132 21 M HA -0.093 4.387 4.480 0.000 0.000 0.263 21 M C 2.538 178.822 176.300 -0.026 0.000 1.065 21 M CA 1.308 56.589 55.300 -0.032 0.000 1.122 21 M CB -0.417 32.162 32.600 -0.035 0.000 1.365 21 M HN 0.471 nan 8.290 nan 0.000 0.411 22 A N 0.519 123.328 122.820 -0.019 0.000 1.933 22 A HA -0.064 4.256 4.320 0.000 0.000 0.218 22 A C 2.361 179.937 177.584 -0.012 0.000 1.175 22 A CA 1.973 54.001 52.037 -0.014 0.000 0.628 22 A CB -0.851 18.143 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.136 122.949 122.820 -0.011 0.000 1.897 23 A HA -0.160 4.160 4.320 0.000 0.000 0.215 23 A C 1.941 179.521 177.584 -0.008 0.000 1.181 23 A CA 1.910 53.943 52.037 -0.006 0.000 0.620 23 A CB -0.738 18.259 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.189 118.881 118.700 -0.015 0.000 2.043 24 N HA -0.142 4.598 4.740 0.000 0.000 0.193 24 N C 1.583 177.082 175.510 -0.019 0.000 1.037 24 N CA 1.932 54.971 53.050 -0.019 0.000 0.851 24 N CB -0.410 38.057 38.487 -0.034 0.000 1.027 24 N HN 0.455 nan 8.380 nan 0.000 0.422 25 L N -0.076 121.134 121.223 -0.022 0.000 2.012 25 L HA -0.191 4.149 4.340 0.000 0.000 0.210 25 L C 2.676 179.539 176.870 -0.011 0.000 1.073 25 L CA 1.182 56.011 54.840 -0.020 0.000 0.748 25 L CB -0.715 41.332 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.209 120.004 119.800 -0.007 0.000 2.084 26 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 26 Q C 2.314 178.315 176.000 0.002 0.000 0.978 26 Q CA 2.059 57.860 55.803 -0.003 0.000 0.844 26 Q CB -0.207 28.530 28.738 -0.002 0.000 0.898 26 Q HN 0.519 nan 8.270 nan 0.000 0.426 27 A N 0.888 123.710 122.820 0.004 0.000 1.902 27 A HA -0.192 4.128 4.320 0.000 0.000 0.217 27 A C 2.194 179.786 177.584 0.014 0.000 1.181 27 A CA 1.570 53.614 52.037 0.012 0.000 0.623 27 A CB -0.598 18.412 19.000 0.016 0.000 0.818 27 A HN 0.370 nan 8.150 nan 0.000 0.443 28 R N -0.324 120.179 120.500 0.005 0.000 2.083 28 R HA -0.212 4.128 4.340 0.000 0.000 0.237 28 R C 2.316 178.619 176.300 0.006 0.000 1.137 28 R CA 2.025 58.128 56.100 0.005 0.000 0.951 28 R CB -0.373 29.924 30.300 -0.006 0.000 0.851 28 R HN 0.695 nan 8.270 nan 0.000 0.434 29 Q N 0.115 119.916 119.800 0.002 0.000 2.096 29 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 29 Q C 2.233 178.236 176.000 0.005 0.000 0.982 29 Q CA 1.864 57.667 55.803 0.001 0.000 0.850 29 Q CB -0.114 28.623 28.738 -0.002 0.000 0.901 29 Q HN 0.452 nan 8.270 nan 0.000 0.422 30 I N -0.184 120.392 120.570 0.009 0.000 2.226 30 I HA -0.253 3.917 4.170 0.000 0.000 0.245 30 I C 2.192 178.322 176.117 0.020 0.000 1.100 30 I CA 0.781 62.089 61.300 0.013 0.000 1.374 30 I CB -0.271 37.737 38.000 0.013 0.000 1.057 30 I HN 0.057 nan 8.210 nan 0.000 0.413 31 V N 1.194 121.124 119.914 0.027 0.000 2.295 31 V HA -0.282 3.838 4.120 0.000 0.000 0.246 31 V C 2.412 178.522 176.094 0.027 0.000 1.049 31 V CA 1.787 64.110 62.300 0.039 0.000 1.024 31 V CB -0.457 31.395 31.823 0.047 0.000 0.648 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 L N -0.381 120.849 121.223 0.011 0.000 2.083 32 L HA -0.246 4.094 4.340 0.000 0.000 0.209 32 L C 2.627 179.491 176.870 -0.010 0.000 1.083 32 L CA 2.020 56.856 54.840 -0.006 0.000 0.752 32 L CB -0.560 41.491 42.059 -0.013 0.000 0.899 32 L HN 0.442 nan 8.230 nan 0.000 0.433 33 Q N -0.620 119.181 119.800 0.001 0.000 2.083 33 Q HA -0.191 4.149 4.340 0.000 0.000 0.198 33 Q C 2.146 178.157 176.000 0.019 0.000 0.969 33 Q CA 1.129 56.934 55.803 0.004 0.000 0.838 33 Q CB 0.219 28.960 28.738 0.005 0.000 0.900 33 Q HN 0.469 nan 8.270 nan 0.000 0.436 34 Q N 0.266 120.083 119.800 0.027 0.000 2.297 34 Q HA 0.059 4.399 4.340 0.000 0.000 0.203 34 Q C 1.233 177.274 176.000 0.068 0.000 0.931 34 Q CA 0.705 56.533 55.803 0.042 0.000 0.885 34 Q CB 0.482 29.238 28.738 0.031 0.000 0.991 34 Q HN 0.333 nan 8.270 nan 0.000 0.498 35 S N -0.482 115.258 115.700 0.067 0.000 2.634 35 S HA 0.315 4.785 4.470 0.000 0.000 0.261 35 S C -0.596 174.072 174.600 0.113 0.000 1.271 35 S CA -0.621 57.637 58.200 0.097 0.000 0.985 35 S CB 0.775 64.026 63.200 0.085 0.000 0.968 35 S HN 0.209 nan 8.310 nan 0.000 0.568 36 Y N 1.668 121.972 120.300 0.007 0.000 2.361 36 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 36 Y C -2.575 173.288 175.900 -0.061 0.000 0.965 36 Y CA -2.252 55.835 58.100 -0.021 0.000 1.091 36 Y CB 2.048 40.498 38.460 -0.017 0.000 1.182 36 Y HN 0.556 nan 8.280 nan 0.000 0.450 37 P HA 0.196 nan 4.420 nan 0.000 0.276 37 P C -1.284 175.873 177.300 -0.239 0.000 1.230 37 P CA 0.097 63.000 63.100 -0.327 0.000 0.776 37 P CB 1.953 33.442 31.700 -0.352 0.000 0.888 38 V N 4.841 124.549 119.914 -0.343 0.000 2.789 38 V HA 0.452 4.572 4.120 0.000 0.000 0.311 38 V C 0.087 175.999 176.094 -0.303 0.000 1.073 38 V CA -0.764 61.328 62.300 -0.346 0.000 0.921 38 V CB 2.441 33.873 31.823 -0.652 0.000 1.009 38 V HN 0.523 nan 8.190 nan 0.000 0.426 39 I N 3.566 124.096 120.570 -0.067 0.000 2.418 39 I HA 0.612 4.782 4.170 0.000 0.000 0.287 39 I C -0.722 175.518 176.117 0.206 0.000 1.008 39 I CA -0.079 61.272 61.300 0.085 0.000 1.104 39 I CB 1.472 39.514 38.000 0.070 0.000 1.264 39 I HN 0.828 nan 8.210 nan 0.000 0.438 40 Q N 6.570 126.577 119.800 0.345 0.000 2.331 40 Q HA 0.302 4.642 4.340 0.000 0.000 0.272 40 Q C -1.355 174.870 176.000 0.376 0.000 1.062 40 Q CA -0.758 55.267 55.803 0.371 0.000 0.806 40 Q CB 2.225 31.185 28.738 0.371 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.099 122.056 119.800 0.261 0.000 2.311 41 Q HA 0.159 4.499 4.340 0.000 0.000 0.272 41 Q C 0.162 176.174 176.000 0.021 0.000 1.012 41 Q CA 0.144 55.896 55.803 -0.085 0.000 0.891 41 Q CB 0.951 29.561 28.738 -0.212 0.000 1.201 41 Q HN 0.645 nan 8.270 nan 0.000 0.391 42 V N 0.089 120.011 119.914 0.013 0.000 3.572 42 V HA 0.431 4.551 4.120 0.000 0.000 0.260 42 V C 0.078 176.187 176.094 0.026 0.000 1.324 42 V CA 0.409 62.746 62.300 0.062 0.000 1.068 42 V CB 0.403 32.304 31.823 0.130 0.000 0.837 42 V HN 0.832 nan 8.190 nan 0.000 0.450 43 E N -0.698 119.497 120.200 -0.009 0.000 2.400 43 E HA 0.492 4.842 4.350 0.000 0.000 0.285 43 E C -1.542 175.010 176.600 -0.081 0.000 1.005 43 E CA -0.139 56.256 56.400 -0.010 0.000 0.816 43 E CB 2.256 32.005 29.700 0.080 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.385 116.825 114.554 -0.189 0.000 2.912 44 T HA 0.555 4.905 4.350 0.000 0.000 0.299 44 T C -1.738 172.663 174.700 -0.498 0.000 1.052 44 T CA -0.318 61.574 62.100 -0.348 0.000 0.996 44 T CB 1.666 70.401 68.868 -0.220 0.000 1.070 44 T HN 0.500 nan 8.240 nan 0.000 0.465 45 Q N 1.915 121.225 119.800 -0.816 0.000 2.386 45 Q HA 0.577 4.917 4.340 0.000 0.000 0.274 45 Q C -1.763 173.936 176.000 -0.502 0.000 1.011 45 Q CA -0.627 54.780 55.803 -0.661 0.000 0.867 45 Q CB 2.169 30.424 28.738 -0.805 0.000 1.409 45 Q HN 0.671 nan 8.270 nan 0.000 0.395 46 T N 3.494 117.912 114.554 -0.226 0.000 2.841 46 T HA 0.818 5.168 4.350 0.000 0.000 0.283 46 T C -1.167 173.543 174.700 0.016 0.000 1.000 46 T CA -0.392 61.611 62.100 -0.161 0.000 0.977 46 T CB 0.524 69.303 68.868 -0.149 0.000 0.979 46 T HN 0.474 nan 8.240 nan 0.000 0.446 47 F N -0.583 119.268 119.950 -0.165 0.000 2.779 47 F HA 0.735 5.262 4.527 0.000 0.000 0.316 47 F C -1.819 173.962 175.800 -0.032 0.000 1.164 47 F CA -1.334 56.635 58.000 -0.052 0.000 0.924 47 F CB 1.127 40.160 39.000 0.055 0.000 1.348 47 F HN 0.344 nan 8.300 nan 0.000 0.467 48 D N 2.259 122.742 120.400 0.138 0.000 2.381 48 D HA 0.371 5.011 4.640 0.000 0.000 0.235 48 D C -1.956 174.487 176.300 0.239 0.000 1.068 48 D CA -2.500 51.531 54.000 0.052 0.000 0.832 48 D CB 2.324 43.176 40.800 0.087 0.000 1.101 48 D HN 0.318 nan 8.370 nan 0.000 0.515 49 P HA -0.108 nan 4.420 nan 0.000 0.229 49 P C 0.944 178.373 177.300 0.214 0.000 1.150 49 P CA 0.458 63.719 63.100 0.267 0.000 0.765 49 P CB 0.268 32.000 31.700 0.052 0.000 0.783 50 A N 0.118 123.049 122.820 0.185 0.000 2.015 50 A HA -0.136 4.184 4.320 0.000 0.000 0.219 50 A C 2.123 179.781 177.584 0.123 0.000 1.163 50 A CA 1.308 53.435 52.037 0.151 0.000 0.646 50 A CB -0.758 18.321 19.000 0.131 0.000 0.806 50 A HN 0.156 nan 8.150 nan 0.000 0.448 51 N N -0.471 118.313 118.700 0.139 0.000 2.439 51 N HA 0.067 4.807 4.740 0.000 0.000 0.176 51 N C 0.450 176.001 175.510 0.070 0.000 1.029 51 N CA 0.875 53.987 53.050 0.103 0.000 0.886 51 N CB 0.169 38.724 38.487 0.113 0.000 1.057 51 N HN 0.748 nan 8.380 nan 0.000 0.437 52 R N -1.255 119.311 120.500 0.110 0.000 2.663 52 R HA 0.485 4.825 4.340 0.000 0.000 0.267 52 R C -0.626 175.670 176.300 -0.008 0.000 1.038 52 R CA -0.565 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.947 31.116 30.300 -0.219 0.000 1.249 52 R HN -0.053 nan 8.270 nan 0.000 0.463 53 S N -0.692 114.919 115.700 -0.147 0.000 2.800 53 S HA 0.190 4.660 4.470 0.000 0.000 0.266 53 S C -0.305 174.299 174.600 0.007 0.000 1.029 53 S CA -0.261 57.982 58.200 0.072 0.000 1.302 53 S CB 0.815 64.136 63.200 0.200 0.000 1.212 53 S HN 0.235 nan 8.310 nan 0.000 0.683 54 V N 2.855 122.537 119.914 -0.388 0.000 2.448 54 V HA 0.677 4.797 4.120 0.000 0.000 0.295 54 V C -1.350 174.336 176.094 -0.680 0.000 1.025 54 V CA -0.436 61.671 62.300 -0.321 0.000 0.859 54 V CB 1.011 32.692 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.134 122.009 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 0.000 0.000 0.313 55 F C -0.085 175.631 175.800 -0.140 0.000 1.091 55 F CA -0.825 57.103 58.000 -0.119 0.000 0.915 55 F CB 1.970 40.917 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.673 123.102 120.400 0.049 0.000 2.441 56 D HA 0.360 5.000 4.640 0.000 0.000 0.231 56 D C -1.161 175.142 176.300 0.005 0.000 1.073 56 D CA -0.094 53.892 54.000 -0.023 0.000 0.850 56 D CB 1.654 42.416 40.800 -0.063 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.432 123.322 119.914 -0.040 0.000 2.546 57 V HA 0.270 4.390 4.120 0.000 0.000 0.284 57 V C 0.697 176.750 176.094 -0.067 0.000 1.050 57 V CA -0.236 62.045 62.300 -0.031 0.000 0.981 57 V CB 1.650 33.425 31.823 -0.081 0.000 0.990 57 V HN 0.529 nan 8.190 nan 0.000 0.474 58 T N 7.438 121.977 114.554 -0.024 0.000 2.853 58 T HA 0.363 4.713 4.350 0.000 0.000 0.317 58 T C -2.168 172.537 174.700 0.008 0.000 1.059 58 T CA -0.794 61.291 62.100 -0.024 0.000 0.954 58 T CB 1.028 69.888 68.868 -0.014 0.000 0.994 58 T HN 0.559 nan 8.240 nan 0.000 0.479 59 P HA 0.441 nan 4.420 nan 0.000 0.274 59 P C -0.653 176.700 177.300 0.089 0.000 1.256 59 P CA -0.658 62.522 63.100 0.133 0.000 0.795 59 P CB 0.677 32.575 31.700 0.331 0.000 1.038 60 A N 1.708 124.571 122.820 0.071 0.000 2.354 60 A HA 0.229 4.549 4.320 0.000 0.000 0.269 60 A C 0.311 177.864 177.584 -0.051 0.000 1.109 60 A CA -0.483 51.546 52.037 -0.013 0.000 0.800 60 A CB -0.448 18.513 19.000 -0.064 0.000 1.045 60 A HN 0.469 nan 8.150 nan 0.000 0.489 61 N N 1.414 120.083 118.700 -0.053 0.000 2.719 61 N HA 0.322 5.062 4.740 0.000 0.000 0.243 61 N C -1.165 174.281 175.510 -0.106 0.000 1.104 61 N CA 0.157 53.174 53.050 -0.056 0.000 0.981 61 N CB 1.119 39.589 38.487 -0.029 0.000 1.290 61 N HN 0.415 nan 8.380 nan 0.000 0.513 62 V N 0.515 120.312 119.914 -0.196 0.000 2.733 62 V HA 0.698 4.818 4.120 0.000 0.000 0.306 62 V C 0.729 176.719 176.094 -0.173 0.000 1.084 62 V CA 0.231 62.395 62.300 -0.227 0.000 0.905 62 V CB 1.031 32.615 31.823 -0.397 0.000 1.010 62 V HN 0.787 nan 8.190 nan 0.000 0.424 63 G N 6.248 115.034 108.800 -0.023 0.000 2.594 63 G HA2 -0.269 3.691 3.960 0.000 0.000 0.297 63 G HA3 -0.269 3.691 3.960 0.000 0.000 0.297 63 G C -0.083 174.850 174.900 0.055 0.000 1.273 63 G CA 0.578 45.721 45.100 0.073 0.000 0.974 63 G HN 1.236 nan 8.290 nan 0.000 0.552 64 I N 0.745 121.383 120.570 0.113 0.000 2.312 64 I HA 0.371 4.541 4.170 0.000 0.000 0.290 64 I C 0.387 176.564 176.117 0.100 0.000 1.008 64 I CA -0.719 60.629 61.300 0.080 0.000 1.226 64 I CB 1.572 39.617 38.000 0.076 0.000 1.371 64 I HN 0.316 nan 8.210 nan 0.000 0.468 65 V N 7.687 127.623 119.914 0.036 0.000 2.461 65 V HA 0.183 4.303 4.120 0.000 0.000 0.275 65 V C 0.931 176.974 176.094 -0.085 0.000 1.047 65 V CA -0.296 61.988 62.300 -0.028 0.000 0.955 65 V CB 1.088 32.846 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.947 123.299 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 0.000 0.000 0.198 66 K C 0.814 177.331 176.600 -0.139 0.000 1.052 66 K CA 0.731 57.009 56.287 -0.015 0.000 0.984 66 K CB 0.754 33.331 32.500 0.128 0.000 0.836 66 K HN 0.902 nan 8.250 nan 0.000 0.490 67 G N 0.227 108.727 108.800 -0.501 0.000 2.315 67 G HA2 0.383 4.343 3.960 0.000 0.000 0.294 67 G HA3 0.383 4.343 3.960 0.000 0.000 0.294 67 G C -1.983 172.064 174.900 -1.422 0.000 1.300 67 G CA -0.995 43.454 45.100 -1.085 0.000 0.843 67 G HN -0.005 nan 8.290 nan 0.000 0.527 68 F N -0.490 118.870 119.950 -0.983 0.000 2.547 68 F HA 0.653 5.180 4.527 0.000 0.000 0.316 68 F C -0.232 175.435 175.800 -0.221 0.000 1.121 68 F CA -0.806 56.960 58.000 -0.389 0.000 0.911 68 F CB 2.385 41.255 39.000 -0.217 0.000 1.179 68 F HN 0.418 nan 8.300 nan 0.000 0.443 69 L N 4.511 125.992 121.223 0.430 0.000 2.265 69 L HA 0.709 5.049 4.340 0.000 0.000 0.289 69 L C -1.059 176.153 176.870 0.569 0.000 1.033 69 L CA -0.480 54.751 54.840 0.652 0.000 0.814 69 L CB 1.087 43.582 42.059 0.727 0.000 1.203 69 L HN 0.402 nan 8.230 nan 0.000 0.423 70 V N 5.653 125.866 119.914 0.499 0.000 2.347 70 V HA 0.398 4.518 4.120 0.000 0.000 0.280 70 V C 0.046 176.337 176.094 0.329 0.000 1.021 70 V CA -0.784 61.749 62.300 0.388 0.000 0.847 70 V CB 1.168 33.150 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.279 124.787 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 0.000 0.000 0.274 71 K C -1.379 175.220 176.600 -0.001 0.000 1.009 71 K CA -0.388 55.747 56.287 -0.252 0.000 0.888 71 K CB 1.595 33.959 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.495 123.391 119.914 -0.030 0.000 2.531 72 V HA 0.355 4.475 4.120 0.000 0.000 0.301 72 V C -0.418 175.704 176.094 0.047 0.000 1.034 72 V CA -0.846 61.535 62.300 0.136 0.000 0.865 72 V CB 1.677 33.706 31.823 0.344 0.000 0.995 72 V HN 1.002 nan 8.190 nan 0.000 0.424 73 T N 1.308 115.879 114.554 0.028 0.000 2.887 73 T HA 0.958 5.308 4.350 0.000 0.000 0.288 73 T C -0.479 174.235 174.700 0.024 0.000 1.021 73 T CA -0.547 61.569 62.100 0.026 0.000 1.000 73 T CB 2.270 71.141 68.868 0.005 0.000 1.034 73 T HN 1.355 nan 8.240 nan 0.000 0.467 74 A N 0.860 123.730 122.820 0.082 0.000 2.594 74 A HA 0.909 5.229 4.320 0.000 0.000 0.295 74 A C -0.952 176.722 177.584 0.151 0.000 1.071 74 A CA -0.817 51.299 52.037 0.131 0.000 0.685 74 A CB 1.279 20.460 19.000 0.302 0.000 1.285 74 A HN 1.647 nan 8.150 nan 0.000 0.405 75 A N 1.367 124.279 122.820 0.153 0.000 2.318 75 A HA 0.767 5.087 4.320 0.000 0.000 0.317 75 A C -0.831 176.822 177.584 0.115 0.000 1.159 75 A CA -0.292 51.805 52.037 0.100 0.000 0.799 75 A CB 0.379 19.407 19.000 0.047 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.089 122.673 120.570 0.023 0.000 2.406 76 I HA 0.342 4.512 4.170 0.000 0.000 0.290 76 I C -0.256 175.767 176.117 -0.156 0.000 0.999 76 I CA -0.229 61.011 61.300 -0.099 0.000 1.124 76 I CB 2.411 40.328 38.000 -0.138 0.000 1.289 76 I HN 0.562 nan 8.210 nan 0.000 0.441 77 T N 4.431 118.877 114.554 -0.180 0.000 2.771 77 T HA 0.217 4.567 4.350 0.000 0.000 0.281 77 T C -0.063 174.482 174.700 -0.258 0.000 0.982 77 T CA -0.545 61.450 62.100 -0.175 0.000 0.978 77 T CB 0.828 69.632 68.868 -0.107 0.000 0.930 77 T HN 0.389 nan 8.240 nan 0.000 0.447 78 N N 3.195 121.755 118.700 -0.233 0.000 2.558 78 N HA 0.115 4.855 4.740 0.000 0.000 0.233 78 N C 0.192 175.622 175.510 -0.133 0.000 1.038 78 N CA -0.440 52.471 53.050 -0.232 0.000 0.934 78 N CB 0.201 38.563 38.487 -0.209 0.000 1.175 78 N HN 0.372 nan 8.380 nan 0.000 0.512 79 N N 1.530 120.153 118.700 -0.127 0.000 2.362 79 N HA -0.060 4.680 4.740 0.000 0.000 0.204 79 N C -0.236 175.242 175.510 -0.055 0.000 1.166 79 N CA 0.007 53.007 53.050 -0.083 0.000 0.831 79 N CB -0.185 38.250 38.487 -0.087 0.000 1.008 79 N HN 0.641 nan 8.380 nan 0.000 0.472 80 H N 0.033 119.036 119.070 -0.112 0.000 2.690 80 H HA 0.284 4.840 4.556 0.000 0.000 0.365 80 H C 1.205 176.493 175.328 -0.065 0.000 1.142 80 H CA 0.216 56.214 56.048 -0.084 0.000 1.417 80 H CB 1.178 30.889 29.762 -0.086 0.000 1.446 80 H HN 0.092 nan 8.280 nan 0.000 0.599 81 A N 2.174 124.793 122.820 -0.334 0.000 1.897 81 A HA -0.086 4.234 4.320 0.000 0.000 0.215 81 A C 1.812 179.421 177.584 0.042 0.000 1.181 81 A CA 1.930 53.887 52.037 -0.134 0.000 0.620 81 A CB -0.427 18.452 19.000 -0.202 0.000 0.821 81 A HN 0.856 nan 8.150 nan 0.000 0.443 82 T N -4.771 109.941 114.554 0.263 0.000 3.046 82 T HA 0.207 4.557 4.350 0.000 0.000 0.270 82 T C -0.055 174.726 174.700 0.134 0.000 0.920 82 T CA -0.294 61.914 62.100 0.179 0.000 0.874 82 T CB 0.209 69.146 68.868 0.114 0.000 1.214 82 T HN 0.167 nan 8.240 nan 0.000 0.536 83 E N 1.587 121.859 120.200 0.120 0.000 2.204 83 E HA 0.759 5.109 4.350 0.000 0.000 0.276 83 E C -0.297 176.192 176.600 -0.185 0.000 0.974 83 E CA -0.477 55.797 56.400 -0.209 0.000 0.815 83 E CB 2.036 31.398 29.700 -0.564 0.000 1.119 83 E HN 0.509 nan 8.360 nan 0.000 0.393 84 A N 1.883 124.630 122.820 -0.123 0.000 2.247 84 A HA 0.731 5.051 4.320 0.000 0.000 0.313 84 A C -0.107 177.422 177.584 -0.092 0.000 1.109 84 A CA -0.546 51.433 52.037 -0.095 0.000 0.890 84 A CB 0.793 19.762 19.000 -0.052 0.000 1.239 84 A HN 0.401 nan 8.150 nan 0.000 0.506 85 V N -4.040 115.837 119.914 -0.061 0.000 3.078 85 V HA 0.953 5.073 4.120 0.000 0.000 0.311 85 V C -0.239 175.937 176.094 0.136 0.000 1.138 85 V CA -0.329 61.985 62.300 0.022 0.000 1.007 85 V CB 1.143 32.980 31.823 0.024 0.000 1.045 85 V HN 1.913 nan 8.190 nan 0.000 0.432 86 A N 2.464 125.422 122.820 0.230 0.000 2.454 86 A HA 0.846 5.166 4.320 0.000 0.000 0.302 86 A C -0.554 177.161 177.584 0.218 0.000 1.079 86 A CA -0.991 51.199 52.037 0.256 0.000 0.731 86 A CB 1.462 20.527 19.000 0.108 0.000 1.299 86 A HN 1.109 nan 8.150 nan 0.000 0.413 87 L N 1.890 123.134 121.223 0.035 0.000 2.543 87 L HA 0.117 4.457 4.340 0.000 0.000 0.285 87 L C 1.478 178.250 176.870 -0.164 0.000 1.236 87 L CA 0.181 54.833 54.840 -0.312 0.000 0.871 87 L CB 0.380 42.291 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.867 112.560 114.554 -0.210 0.000 2.770 88 T HA 0.089 4.439 4.350 0.000 0.000 0.281 88 T C 0.751 175.366 174.700 -0.140 0.000 0.981 88 T CA -0.801 61.194 62.100 -0.174 0.000 0.955 88 T CB 0.797 69.528 68.868 -0.228 0.000 1.060 88 T HN 0.501 nan 8.240 nan 0.000 0.531 89 D N -0.258 120.033 120.400 -0.181 0.000 2.178 89 D HA -0.014 4.626 4.640 0.000 0.000 0.201 89 D C 1.498 177.941 176.300 0.239 0.000 0.980 89 D CA 1.046 55.029 54.000 -0.028 0.000 0.842 89 D CB -0.222 40.514 40.800 -0.106 0.000 0.948 89 D HN 0.465 nan 8.370 nan 0.000 0.472 90 F N 0.164 120.041 119.950 -0.121 0.000 2.473 90 F HA 0.246 4.773 4.527 0.000 0.000 0.294 90 F C 2.182 177.930 175.800 -0.087 0.000 1.103 90 F CA 0.414 58.379 58.000 -0.060 0.000 1.442 90 F CB -0.907 38.026 39.000 -0.113 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.642 111.463 108.800 0.034 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.146 173.728 174.900 -0.044 0.000 1.286 91 G CA 0.545 45.584 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.050 nan 4.420 nan 0.000 0.228 92 P C 1.607 178.920 177.300 0.021 0.000 1.151 92 P CA 2.259 65.369 63.100 0.018 0.000 0.770 92 P CB -0.377 31.328 31.700 0.007 0.000 0.786 93 A N 0.077 122.870 122.820 -0.045 0.000 2.172 93 A HA -0.097 4.223 4.320 0.000 0.000 0.216 93 A C 1.830 179.549 177.584 0.225 0.000 1.154 93 A CA 1.007 53.012 52.037 -0.052 0.000 0.701 93 A CB -0.984 17.877 19.000 -0.233 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.361 118.471 118.700 0.220 0.000 2.268 94 N HA 0.189 4.929 4.740 0.000 0.000 0.204 94 N C 1.032 176.687 175.510 0.242 0.000 1.124 94 N CA 0.074 53.277 53.050 0.255 0.000 0.838 94 N CB 0.124 38.742 38.487 0.219 0.000 0.994 94 N HN 0.469 nan 8.380 nan 0.000 0.489 95 L N -0.292 121.108 121.223 0.296 0.000 2.201 95 L HA 0.008 4.348 4.340 0.000 0.000 0.212 95 L C 0.298 177.352 176.870 0.306 0.000 1.105 95 L CA 0.775 55.818 54.840 0.338 0.000 0.775 95 L CB 0.249 42.528 42.059 0.367 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.329 119.691 119.914 0.177 0.000 2.384 96 V HA 0.112 4.232 4.120 0.000 0.000 0.287 96 V C 0.556 176.559 176.094 -0.152 0.000 1.020 96 V CA -0.416 61.757 62.300 -0.212 0.000 0.850 96 V CB 1.671 33.055 31.823 -0.732 0.000 0.987 96 V HN 0.220 nan 8.190 nan 0.000 0.436 97 Q N 3.632 123.351 119.800 -0.136 0.000 2.062 97 Q HA 0.152 4.492 4.340 0.000 0.000 0.196 97 Q C 0.323 176.228 176.000 -0.159 0.000 0.967 97 Q CA 1.010 56.773 55.803 -0.065 0.000 0.832 97 Q CB 0.380 29.104 28.738 -0.023 0.000 0.899 97 Q HN 0.603 nan 8.270 nan 0.000 0.442 98 R N -0.821 119.535 120.500 -0.240 0.000 2.739 98 R HA 0.620 4.960 4.340 0.000 0.000 0.271 98 R C -1.752 174.358 176.300 -0.318 0.000 1.010 98 R CA -0.516 55.432 56.100 -0.253 0.000 0.897 98 R CB 2.575 32.772 30.300 -0.170 0.000 1.236 98 R HN -0.059 nan 8.270 nan 0.000 0.466 99 V N 2.961 122.705 119.914 -0.284 0.000 2.971 99 V HA 0.696 4.816 4.120 0.000 0.000 0.309 99 V C -1.547 174.428 176.094 -0.197 0.000 1.130 99 V CA -0.598 61.535 62.300 -0.279 0.000 0.964 99 V CB 2.133 33.764 31.823 -0.321 0.000 1.029 99 V HN 0.633 nan 8.190 nan 0.000 0.427 100 I N 5.931 126.403 120.570 -0.163 0.000 2.607 100 I HA 0.420 4.590 4.170 0.000 0.000 0.290 100 I C -1.826 174.230 176.117 -0.101 0.000 1.129 100 I CA -0.659 60.554 61.300 -0.146 0.000 1.042 100 I CB 2.224 40.145 38.000 -0.131 0.000 1.242 100 I HN 0.746 nan 8.210 nan 0.000 0.421 101 Y N 6.267 126.415 120.300 -0.254 0.000 2.376 101 Y HA 0.596 5.146 4.550 0.000 0.000 0.340 101 Y C -1.715 174.056 175.900 -0.215 0.000 0.965 101 Y CA -0.694 57.292 58.100 -0.189 0.000 1.078 101 Y CB 1.294 39.651 38.460 -0.171 0.000 1.193 101 Y HN 0.362 nan 8.280 nan 0.000 0.452 102 Y N 4.664 124.456 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 0.000 0.000 0.340 102 Y C -0.089 175.279 175.900 -0.886 0.000 0.975 102 Y CA -1.022 56.742 58.100 -0.561 0.000 1.089 102 Y CB 1.169 39.440 38.460 -0.315 0.000 1.192 102 Y HN 0.719 nan 8.280 nan 0.000 0.454 103 D N 2.726 122.987 120.400 -0.232 0.000 2.451 103 D HA 0.234 4.874 4.640 0.000 0.000 0.259 103 D C -2.230 174.066 176.300 -0.007 0.000 1.201 103 D CA -2.297 51.661 54.000 -0.070 0.000 1.028 103 D CB 0.410 41.356 40.800 0.242 0.000 1.095 103 D HN 0.165 nan 8.370 nan 0.000 0.539 104 P HA -0.066 nan 4.420 nan 0.000 0.221 104 P C -0.008 177.306 177.300 0.023 0.000 1.145 104 P CA 1.045 64.156 63.100 0.018 0.000 0.795 104 P CB 0.102 31.818 31.700 0.028 0.000 0.775 105 D N -1.343 119.089 120.400 0.054 0.000 2.358 105 D HA 0.058 4.698 4.640 0.000 0.000 0.224 105 D C 0.261 176.596 176.300 0.058 0.000 1.123 105 D CA -0.004 54.026 54.000 0.051 0.000 0.833 105 D CB -0.511 40.328 40.800 0.063 0.000 0.946 105 D HN 0.026 nan 8.370 nan 0.000 0.505 106 N N 1.037 119.774 118.700 0.062 0.000 2.741 106 N HA -0.215 4.525 4.740 0.000 0.000 0.251 106 N C 0.120 175.743 175.510 0.189 0.000 1.112 106 N CA 0.675 53.783 53.050 0.097 0.000 0.750 106 N CB -1.046 37.458 38.487 0.028 0.000 1.119 106 N HN 0.365 nan 8.380 nan 0.000 0.561 107 Q N 1.198 121.097 119.800 0.164 0.000 2.256 107 Q HA 0.351 4.691 4.340 0.000 0.000 0.254 107 Q C -0.132 175.954 176.000 0.145 0.000 0.916 107 Q CA -0.198 55.684 55.803 0.132 0.000 0.932 107 Q CB 0.751 29.541 28.738 0.087 0.000 1.207 107 Q HN 0.116 nan 8.270 nan 0.000 0.426 108 R N 3.050 123.549 120.500 -0.001 0.000 2.490 108 R HA 0.266 4.606 4.340 0.000 0.000 0.280 108 R C 0.291 176.590 176.300 -0.002 0.000 1.077 108 R CA -0.137 55.867 56.100 -0.161 0.000 1.065 108 R CB 0.669 30.752 30.300 -0.360 0.000 1.003 108 R HN 0.820 nan 8.270 nan 0.000 0.470 109 H N 0.221 119.254 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 0.000 0.000 0.118 109 H C 0.089 175.334 175.328 -0.137 0.000 1.355 109 H CA -0.343 55.681 56.048 -0.039 0.000 0.741 109 H CB 0.263 30.069 29.762 0.073 0.000 1.615 109 H HN 0.381 nan 8.280 nan 0.000 0.266 110 T N 1.525 116.081 114.554 0.003 0.000 2.916 110 T HA 0.086 4.436 4.350 0.000 0.000 0.303 110 T C 0.111 174.743 174.700 -0.114 0.000 1.025 110 T CA 0.470 62.494 62.100 -0.127 0.000 1.142 110 T CB 0.317 69.073 68.868 -0.187 0.000 0.947 110 T HN 0.390 nan 8.240 nan 0.000 0.544 111 E N 2.172 122.309 120.200 -0.105 0.000 2.642 111 E HA 0.433 4.783 4.350 0.000 0.000 0.284 111 E C -0.804 175.750 176.600 -0.076 0.000 1.039 111 E CA -0.466 55.873 56.400 -0.103 0.000 0.777 111 E CB 0.922 30.570 29.700 -0.088 0.000 1.473 111 E HN 0.592 nan 8.360 nan 0.000 0.388 112 T N 0.986 115.469 114.554 -0.119 0.000 2.731 112 T HA 0.447 4.797 4.350 0.000 0.000 0.300 112 T C -0.920 173.645 174.700 -0.226 0.000 1.283 112 T CA -0.220 61.806 62.100 -0.124 0.000 1.005 112 T CB 1.075 69.942 68.868 -0.002 0.000 1.420 112 T HN 0.417 nan 8.240 nan 0.000 0.503 113 S N 0.001 115.495 115.700 -0.342 0.000 2.617 113 S HA 0.486 4.956 4.470 0.000 0.000 0.269 113 S C 1.628 175.964 174.600 -0.440 0.000 1.292 113 S CA 0.056 57.979 58.200 -0.462 0.000 1.010 113 S CB 0.858 63.546 63.200 -0.853 0.000 0.944 113 S HN 1.073 nan 8.310 nan 0.000 0.536 114 G N 1.081 109.680 108.800 -0.335 0.000 2.418 114 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 114 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 114 G C 1.324 176.212 174.900 -0.019 0.000 1.158 114 G CA 0.756 45.712 45.100 -0.240 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.208 121.463 121.300 -0.074 0.000 2.388 115 W HA -0.029 4.631 4.660 0.000 0.000 0.294 115 W C 1.794 177.996 176.519 -0.528 0.000 1.212 115 W CA 0.844 57.956 57.345 -0.389 0.000 1.271 115 W CB -1.046 28.141 29.460 -0.454 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.261 119.964 119.070 -0.611 0.000 2.326 116 H HA -0.182 4.374 4.556 0.000 0.000 0.301 116 H C 2.354 177.574 175.328 -0.179 0.000 1.081 116 H CA 1.803 57.626 56.048 -0.376 0.000 1.334 116 H CB -0.130 29.245 29.762 -0.646 0.000 1.385 116 H HN 0.115 nan 8.280 nan 0.000 0.504 117 L N 1.071 122.070 121.223 -0.374 0.000 2.013 117 L HA -0.219 4.121 4.340 0.000 0.000 0.212 117 L C 2.594 179.367 176.870 -0.161 0.000 1.073 117 L CA 2.468 57.125 54.840 -0.306 0.000 0.753 117 L CB -1.136 40.812 42.059 -0.186 0.000 0.890 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.318 117.679 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.846 177.158 175.328 -0.028 0.000 1.090 118 H CA 2.191 58.164 56.048 -0.125 0.000 1.327 118 H CB -0.353 29.307 29.762 -0.171 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.228 119.605 119.950 -0.195 0.000 2.216 119 F HA -0.104 4.423 4.527 0.000 0.000 0.300 119 F C 2.663 178.395 175.800 -0.114 0.000 1.085 119 F CA 0.860 58.793 58.000 -0.112 0.000 1.326 119 F CB -0.977 38.001 39.000 -0.038 0.000 1.027 119 F HN 0.104 nan 8.300 nan 0.000 0.497 120 V N 0.070 119.971 119.914 -0.023 0.000 2.427 120 V HA -0.271 3.849 4.120 0.000 0.000 0.248 120 V C 1.939 177.976 176.094 -0.094 0.000 1.051 120 V CA 1.800 64.072 62.300 -0.047 0.000 1.048 120 V CB -0.839 30.887 31.823 -0.161 0.000 0.666 120 V HN 0.363 nan 8.190 nan 0.000 0.456 121 N N -0.286 118.270 118.700 -0.240 0.000 2.104 121 N HA -0.187 4.553 4.740 0.000 0.000 0.190 121 N C 1.838 177.217 175.510 -0.219 0.000 1.024 121 N CA 1.818 54.606 53.050 -0.436 0.000 0.853 121 N CB -0.201 37.623 38.487 -1.106 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.593 115.050 114.554 -0.162 0.000 2.708 122 T HA -0.093 4.257 4.350 0.000 0.000 0.266 122 T C 2.063 176.729 174.700 -0.056 0.000 1.037 122 T CA 1.197 63.273 62.100 -0.041 0.000 1.146 122 T CB -0.340 68.479 68.868 -0.082 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.892 124.687 122.820 -0.042 0.000 1.908 123 A HA -0.156 4.164 4.320 0.000 0.000 0.218 123 A C 2.275 179.850 177.584 -0.016 0.000 1.181 123 A CA 1.408 53.383 52.037 -0.102 0.000 0.627 123 A CB -0.336 18.564 19.000 -0.167 0.000 0.818 123 A HN 0.295 nan 8.150 nan 0.000 0.445 124 K N -0.660 119.737 120.400 -0.005 0.000 2.155 124 K HA -0.133 4.187 4.320 0.000 0.000 0.203 124 K C 2.141 178.725 176.600 -0.027 0.000 1.052 124 K CA 1.415 57.688 56.287 -0.022 0.000 0.948 124 K CB -0.214 32.245 32.500 -0.068 0.000 0.728 124 K HN 0.762 nan 8.250 nan 0.000 0.448 125 Q N -0.054 119.747 119.800 0.003 0.000 2.187 125 Q HA -0.073 4.267 4.340 0.000 0.000 0.199 125 Q C 0.641 176.629 176.000 -0.020 0.000 0.957 125 Q CA 1.260 57.071 55.803 0.013 0.000 0.857 125 Q CB 0.249 29.046 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.573 108.208 108.800 -0.032 0.000 2.141 126 G HA2 -0.165 3.795 3.960 0.000 0.000 0.242 126 G HA3 -0.165 3.795 3.960 0.000 0.000 0.242 126 G C -0.067 174.790 174.900 -0.072 0.000 0.982 126 G CA 0.200 45.272 45.100 -0.047 0.000 0.662 126 G HN 0.823 nan 8.290 nan 0.000 0.527 127 A N -1.300 121.474 122.820 -0.076 0.000 2.597 127 A HA 0.786 5.106 4.320 0.000 0.000 0.292 127 A C -3.133 174.415 177.584 -0.060 0.000 1.057 127 A CA -0.742 51.242 52.037 -0.088 0.000 0.674 127 A CB 0.715 19.674 19.000 -0.068 0.000 1.278 127 A HN 0.156 nan 8.150 nan 0.000 0.416 128 P HA 0.110 nan 4.420 nan 0.000 0.258 128 P C -0.348 177.017 177.300 0.108 0.000 1.172 128 P CA 0.563 63.677 63.100 0.023 0.000 0.762 128 P CB -0.144 31.570 31.700 0.023 0.000 0.764 129 F N 5.764 125.722 119.950 0.014 0.000 2.612 129 F HA -0.057 4.470 4.527 0.000 0.000 0.389 129 F C 1.172 176.995 175.800 0.038 0.000 1.055 129 F CA 0.359 58.376 58.000 0.028 0.000 1.232 129 F CB -0.403 38.641 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.599 124.451 121.223 -0.617 0.000 3.976 130 L HA -0.323 4.017 4.340 0.000 0.000 0.418 130 L C 0.620 177.337 176.870 -0.255 0.000 1.177 130 L CA 0.558 55.052 54.840 -0.576 0.000 0.968 130 L CB -2.348 39.212 42.059 -0.831 0.000 1.933 130 L HN 0.734 nan 8.230 nan 0.000 0.976 131 S N -1.850 113.766 115.700 -0.141 0.000 2.645 131 S HA 0.530 5.000 4.470 0.000 0.000 0.266 131 S C 0.317 174.867 174.600 -0.082 0.000 1.258 131 S CA -0.034 58.122 58.200 -0.073 0.000 0.990 131 S CB 2.196 65.380 63.200 -0.027 0.000 0.967 131 S HN 0.274 nan 8.310 nan 0.000 0.556 132 S N 1.716 117.384 115.700 -0.053 0.000 2.498 132 S HA 0.448 4.918 4.470 0.000 0.000 0.324 132 S C -0.046 174.533 174.600 -0.036 0.000 1.071 132 S CA -1.020 57.153 58.200 -0.045 0.000 1.113 132 S CB -0.423 62.763 63.200 -0.025 0.000 0.976 132 S HN 0.779 nan 8.310 nan 0.000 0.462 133 M N 4.123 123.695 119.600 -0.048 0.000 2.240 133 M HA 0.543 5.023 4.480 0.000 0.000 0.333 133 M C -0.863 175.418 176.300 -0.031 0.000 1.110 133 M CA -0.407 54.867 55.300 -0.043 0.000 1.173 133 M CB 0.494 33.059 32.600 -0.059 0.000 1.458 133 M HN 0.247 nan 8.290 nan 0.000 0.458 134 V N 2.628 122.528 119.914 -0.022 0.000 2.439 134 V HA 0.602 4.723 4.120 0.000 0.000 0.282 134 V C 0.466 176.550 176.094 -0.017 0.000 1.039 134 V CA -0.165 62.129 62.300 -0.011 0.000 0.913 134 V CB 1.187 33.008 31.823 -0.004 0.000 0.983 134 V HN 1.107 nan 8.190 nan 0.000 0.460 135 T N -0.271 114.278 114.554 -0.009 0.000 2.838 135 T HA 0.350 4.700 4.350 0.000 0.000 0.292 135 T C 0.254 174.957 174.700 0.006 0.000 1.113 135 T CA -0.286 61.806 62.100 -0.014 0.000 1.008 135 T CB 1.905 70.750 68.868 -0.038 0.000 1.259 135 T HN 0.628 nan 8.240 nan 0.000 0.520 136 D N -0.072 120.330 120.400 0.004 0.000 2.336 136 D HA 0.074 4.714 4.640 0.000 0.000 0.229 136 D C 0.666 176.983 176.300 0.029 0.000 1.061 136 D CA -0.174 53.835 54.000 0.014 0.000 0.875 136 D CB -0.387 40.418 40.800 0.007 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.789 117.516 115.700 0.045 0.000 2.544 137 S HA 0.079 4.549 4.470 0.000 0.000 0.290 137 S C -1.044 173.609 174.600 0.089 0.000 1.276 137 S CA -0.931 57.320 58.200 0.086 0.000 1.075 137 S CB 0.990 64.289 63.200 0.165 0.000 0.849 137 S HN 0.098 nan 8.310 nan 0.000 0.494 138 P HA 0.060 nan 4.420 nan 0.000 0.225 138 P C 0.121 177.437 177.300 0.027 0.000 1.156 138 P CA 0.338 63.461 63.100 0.038 0.000 0.787 138 P CB -0.044 31.671 31.700 0.024 0.000 0.802 139 I N 1.180 121.778 120.570 0.048 0.000 2.648 139 I HA -0.021 4.149 4.170 0.000 0.000 0.284 139 I C 1.350 177.408 176.117 -0.097 0.000 1.153 139 I CA 0.284 61.551 61.300 -0.054 0.000 1.426 139 I CB 0.172 38.130 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.534 126.828 120.400 -0.176 0.000 3.233 140 K HA 0.072 4.392 4.320 0.000 0.000 0.283 140 K C -0.710 175.801 176.600 -0.148 0.000 1.209 140 K CA -0.016 56.198 56.287 -0.121 0.000 1.197 140 K CB -0.587 31.860 32.500 -0.088 0.000 1.431 140 K HN 0.366 nan 8.250 nan 0.000 0.326 141 Y N 0.566 120.855 120.300 -0.018 0.000 2.296 141 Y HA 0.300 4.850 4.550 0.000 0.000 0.343 141 Y C 1.551 177.438 175.900 -0.021 0.000 1.292 141 Y CA 0.658 58.744 58.100 -0.023 0.000 1.490 141 Y CB 0.786 39.230 38.460 -0.026 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.072 108.967 108.800 0.158 0.000 2.332 142 G HA2 -0.028 3.932 3.960 0.000 0.000 0.265 142 G HA3 -0.028 3.932 3.960 0.000 0.000 0.265 142 G C -1.744 173.181 174.900 0.040 0.000 1.329 142 G CA -0.834 44.311 45.100 0.075 0.000 0.949 142 G HN 0.533 nan 8.290 nan 0.000 0.476 143 D N 0.541 120.955 120.400 0.024 0.000 2.508 143 D HA 0.442 5.082 4.640 0.000 0.000 0.224 143 D C 1.385 177.693 176.300 0.014 0.000 1.171 143 D CA 0.095 54.103 54.000 0.014 0.000 1.006 143 D CB 0.679 41.487 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.796 122.717 119.914 0.011 0.000 2.575 144 V HA -0.029 4.091 4.120 0.000 0.000 0.242 144 V C 1.880 177.979 176.094 0.007 0.000 1.045 144 V CA 0.781 63.084 62.300 0.006 0.000 1.065 144 V CB -0.116 31.707 31.823 -0.000 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.443 119.160 119.600 0.005 0.000 2.371 145 M HA 0.286 4.766 4.480 0.000 0.000 0.246 145 M C 0.373 176.688 176.300 0.026 0.000 1.103 145 M CA 0.091 55.397 55.300 0.011 0.000 1.010 145 M CB -0.621 31.978 32.600 -0.003 0.000 1.457 145 M HN 0.380 nan 8.290 nan 0.000 0.486 146 N N 1.169 119.883 118.700 0.024 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.026 176.575 175.510 0.065 0.000 0.993 146 N CA 0.268 53.343 53.050 0.040 0.000 0.759 146 N CB -1.233 37.283 38.487 0.049 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.209 119.726 119.914 0.036 0.000 2.287 147 V HA -0.112 4.008 4.120 0.000 0.000 0.248 147 V C 1.415 177.611 176.094 0.169 0.000 1.053 147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 147 V CB 0.018 31.762 31.823 -0.131 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.377 120.999 120.570 0.087 0.000 2.410 148 I HA 0.488 4.658 4.170 0.000 0.000 0.286 148 I C -1.119 175.036 176.117 0.063 0.000 1.009 148 I CA -0.296 61.066 61.300 0.102 0.000 1.111 148 I CB 1.759 39.800 38.000 0.068 0.000 1.262 148 I HN 0.228 nan 8.210 nan 0.000 0.443 149 D N 5.389 125.831 120.400 0.070 0.000 2.717 149 D HA 0.799 5.439 4.640 0.000 0.000 0.223 149 D C -1.612 174.732 176.300 0.074 0.000 1.240 149 D CA -0.298 53.740 54.000 0.063 0.000 0.801 149 D CB 2.294 43.135 40.800 0.068 0.000 1.556 149 D HN 0.679 nan 8.370 nan 0.000 0.462 150 A N 2.487 125.353 122.820 0.077 0.000 2.555 150 A HA 0.633 4.953 4.320 0.000 0.000 0.297 150 A C -2.819 174.845 177.584 0.133 0.000 1.060 150 A CA -1.153 50.954 52.037 0.117 0.000 0.710 150 A CB 1.425 20.478 19.000 0.089 0.000 1.282 150 A HN 0.425 nan 8.150 nan 0.000 0.399 151 P HA 0.307 nan 4.420 nan 0.000 0.268 151 P C 0.987 178.418 177.300 0.217 0.000 1.204 151 P CA 0.466 63.663 63.100 0.161 0.000 0.768 151 P CB 1.310 33.084 31.700 0.124 0.000 0.842 152 A N 3.543 126.446 122.820 0.138 0.000 1.978 152 A HA -0.039 4.281 4.320 0.000 0.000 0.220 152 A C 1.125 178.827 177.584 0.197 0.000 1.170 152 A CA 1.937 54.049 52.037 0.125 0.000 0.636 152 A CB -0.949 18.096 19.000 0.074 0.000 0.810 152 A HN 0.739 nan 8.150 nan 0.000 0.448 153 T N -3.829 110.832 114.554 0.178 0.000 2.883 153 T HA 0.673 5.023 4.350 0.000 0.000 0.301 153 T C -0.881 173.840 174.700 0.036 0.000 1.158 153 T CA -0.630 61.557 62.100 0.145 0.000 1.007 153 T CB 1.480 70.389 68.868 0.068 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.826 122.340 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 0.000 0.000 0.283 154 I C 0.619 176.655 176.117 -0.135 0.000 1.023 154 I CA -1.113 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.453 39.208 38.000 -0.409 0.000 1.238 154 I HN 1.030 nan 8.210 nan 0.000 0.445 155 A N 4.738 127.508 122.820 -0.083 0.000 2.366 155 A HA 0.712 5.032 4.320 0.000 0.000 0.249 155 A C 0.633 178.177 177.584 -0.066 0.000 1.084 155 A CA -0.286 51.715 52.037 -0.061 0.000 0.794 155 A CB 0.460 19.438 19.000 -0.035 0.000 1.034 155 A HN 0.838 nan 8.150 nan 0.000 0.491 156 A N -0.015 122.781 122.820 -0.039 0.000 2.566 156 A HA 0.449 4.769 4.320 0.000 0.000 0.245 156 A C 1.628 179.198 177.584 -0.025 0.000 1.056 156 A CA 0.969 52.999 52.037 -0.010 0.000 0.757 156 A CB -1.096 17.930 19.000 0.043 0.000 0.979 156 A HN 2.755 nan 8.150 nan 0.000 0.508 157 G N 0.842 109.619 108.800 -0.038 0.000 2.199 157 G HA2 0.139 4.099 3.960 0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 0.000 0.000 0.254 157 G C 0.555 175.422 174.900 -0.054 0.000 0.982 157 G CA 0.605 45.678 45.100 -0.044 0.000 0.632 157 G HN 2.192 nan 8.290 nan 0.000 0.529 158 A N -0.520 122.259 122.820 -0.068 0.000 2.269 158 A HA 0.854 5.174 4.320 0.000 0.000 0.319 158 A C 0.235 177.764 177.584 -0.092 0.000 1.110 158 A CA 0.632 52.627 52.037 -0.070 0.000 0.847 158 A CB 1.102 20.062 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.621 115.131 114.554 -0.073 0.000 2.812 159 T HA 0.606 4.956 4.350 0.000 0.000 0.282 159 T C 0.164 174.829 174.700 -0.058 0.000 0.990 159 T CA 0.043 62.099 62.100 -0.074 0.000 0.960 159 T CB 1.460 70.300 68.868 -0.046 0.000 0.948 159 T HN 1.037 nan 8.240 nan 0.000 0.438 160 G N 1.957 110.714 108.800 -0.071 0.000 2.400 160 G HA2 0.630 4.590 3.960 0.000 0.000 0.333 160 G HA3 0.630 4.590 3.960 0.000 0.000 0.333 160 G C -0.840 174.075 174.900 0.026 0.000 1.143 160 G CA -0.570 44.514 45.100 -0.025 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.622 120.853 120.200 0.052 0.000 2.171 161 E HA 0.480 4.830 4.350 0.000 0.000 0.271 161 E C -0.912 175.748 176.600 0.100 0.000 0.916 161 E CA -0.515 55.927 56.400 0.070 0.000 0.774 161 E CB 2.386 32.116 29.700 0.050 0.000 1.128 161 E HN 0.135 nan 8.360 nan 0.000 0.403 162 L N 1.397 122.692 121.223 0.120 0.000 2.341 162 L HA 0.532 4.872 4.340 0.000 0.000 0.267 162 L C 0.031 176.965 176.870 0.107 0.000 1.009 162 L CA -0.467 54.452 54.840 0.133 0.000 0.819 162 L CB 2.121 44.291 42.059 0.186 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.272 116.884 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 0.000 0.000 0.297 163 T C -1.087 173.657 174.700 0.073 0.000 1.013 163 T CA -0.365 61.782 62.100 0.079 0.000 0.990 163 T CB 1.638 70.573 68.868 0.111 0.000 1.023 163 T HN 0.428 nan 8.240 nan 0.000 0.447 164 M N 3.184 122.794 119.600 0.017 0.000 2.501 164 M HA 0.678 5.158 4.480 0.000 0.000 0.293 164 M C -2.377 173.870 176.300 -0.089 0.000 1.192 164 M CA -0.851 54.436 55.300 -0.022 0.000 0.886 164 M CB 1.669 34.234 32.600 -0.058 0.000 1.710 164 M HN 0.618 nan 8.290 nan 0.000 0.457 165 Y N 2.732 123.002 120.300 -0.050 0.000 2.462 165 Y HA 0.707 5.257 4.550 0.000 0.000 0.346 165 Y C -1.518 174.431 175.900 0.082 0.000 0.976 165 Y CA -0.334 57.851 58.100 0.142 0.000 1.044 165 Y CB 2.069 40.667 38.460 0.230 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.172 121.769 120.300 0.495 0.000 2.477 166 Y HA 0.282 4.832 4.550 0.000 0.000 0.347 166 Y C -1.017 175.105 175.900 0.370 0.000 0.981 166 Y CA -1.553 56.733 58.100 0.309 0.000 1.033 166 Y CB 2.039 40.566 38.460 0.113 0.000 1.245 166 Y HN 0.645 nan 8.280 nan 0.000 0.455 167 W N 4.988 126.377 121.300 0.149 0.000 2.361 167 W HA 0.667 5.327 4.660 0.000 0.000 0.314 167 W C -1.903 174.644 176.519 0.046 0.000 1.041 167 W CA -1.017 56.404 57.345 0.127 0.000 1.241 167 W CB 1.452 30.942 29.460 0.050 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.362 128.987 119.914 -0.483 0.000 2.334 168 V HA 0.194 4.314 4.120 0.000 0.000 0.267 168 V C -1.610 173.989 176.094 -0.825 0.000 1.040 168 V CA -1.558 60.472 62.300 -0.451 0.000 0.866 168 V CB 0.964 32.653 31.823 -0.222 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.389 nan 4.420 nan 0.000 0.286 169 P C 0.045 177.244 177.300 -0.168 0.000 1.261 169 P CA -0.305 62.627 63.100 -0.280 0.000 0.821 169 P CB 2.500 34.360 31.700 0.267 0.000 1.013 170 L N 1.492 122.654 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 0.000 0.000 0.178 170 L C 1.377 178.375 176.870 0.214 0.000 1.135 170 L CA 0.101 54.899 54.840 -0.071 0.000 0.855 170 L CB -0.830 41.055 42.059 -0.289 0.000 1.235 170 L HN 0.323 nan 8.230 nan 0.000 0.499 171 A N -0.892 122.025 122.820 0.162 0.000 2.445 171 A HA -0.034 4.286 4.320 0.000 0.000 0.242 171 A C 0.551 178.289 177.584 0.257 0.000 1.075 171 A CA 0.045 52.201 52.037 0.197 0.000 0.777 171 A CB -0.050 19.032 19.000 0.136 0.000 1.013 171 A HN 0.367 nan 8.150 nan 0.000 0.493 172 Y N 2.292 122.582 120.300 -0.017 0.000 2.181 172 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 172 Y C 1.288 177.145 175.900 -0.071 0.000 1.146 172 Y CA 1.808 59.723 58.100 -0.307 0.000 1.164 172 Y CB 0.015 38.317 38.460 -0.263 0.000 0.982 172 Y HN 0.883 nan 8.280 nan 0.000 0.515 173 S N -2.127 113.558 115.700 -0.025 0.000 2.790 173 S HA 0.230 4.700 4.470 0.000 0.000 0.292 173 S C 0.522 175.112 174.600 -0.016 0.000 1.197 173 S CA -0.285 57.857 58.200 -0.096 0.000 0.851 173 S CB 1.282 64.413 63.200 -0.115 0.000 1.217 173 S HN 0.090 nan 8.310 nan 0.000 0.526 174 E N 0.478 120.639 120.200 -0.065 0.000 2.204 174 E HA -0.023 4.327 4.350 0.000 0.000 0.194 174 E C 1.538 178.120 176.600 -0.030 0.000 0.989 174 E CA 2.039 58.402 56.400 -0.061 0.000 0.824 174 E CB -0.224 29.411 29.700 -0.108 0.000 0.756 174 E HN 0.789 nan 8.360 nan 0.000 0.477 175 T N -3.072 111.476 114.554 -0.011 0.000 2.985 175 T HA 0.100 4.450 4.350 0.000 0.000 0.254 175 T C 0.243 174.960 174.700 0.028 0.000 1.021 175 T CA -0.157 61.944 62.100 0.002 0.000 0.957 175 T CB 0.246 69.113 68.868 -0.001 0.000 1.047 175 T HN -0.060 nan 8.240 nan 0.000 0.511 176 D N 1.191 121.630 120.400 0.065 0.000 2.453 176 D HA 0.313 4.953 4.640 0.000 0.000 0.238 176 D C 0.630 176.974 176.300 0.074 0.000 1.088 176 D CA -0.686 53.362 54.000 0.079 0.000 0.854 176 D CB 1.062 41.970 40.800 0.180 0.000 1.076 176 D HN 0.206 nan 8.370 nan 0.000 0.533 177 L N 2.495 123.735 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 0.000 0.000 0.233 177 L C 0.761 177.637 176.870 0.009 0.000 1.144 177 L CA 0.156 55.014 54.840 0.031 0.000 0.892 177 L CB -0.325 41.747 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.871 115.394 114.554 -0.052 0.000 2.871 178 T HA 0.225 4.575 4.350 0.000 0.000 0.296 178 T C 1.259 175.951 174.700 -0.013 0.000 0.998 178 T CA 1.057 63.054 62.100 -0.170 0.000 1.162 178 T CB 0.836 69.390 68.868 -0.522 0.000 0.947 178 T HN 0.631 nan 8.240 nan 0.000 0.536 179 G N 2.042 110.863 108.800 0.036 0.000 2.213 179 G HA2 -0.090 3.870 3.960 0.000 0.000 0.236 179 G HA3 -0.090 3.870 3.960 0.000 0.000 0.236 179 G C 0.363 175.375 174.900 0.187 0.000 0.991 179 G CA -0.036 45.186 45.100 0.203 0.000 0.629 179 G HN 1.159 nan 8.290 nan 0.000 0.517 180 A N -0.463 122.422 122.820 0.108 0.000 2.386 180 A HA 0.652 4.972 4.320 0.000 0.000 0.246 180 A C 0.404 178.029 177.584 0.068 0.000 1.089 180 A CA 0.753 52.829 52.037 0.064 0.000 0.790 180 A CB 0.874 19.904 19.000 0.050 0.000 1.042 180 A HN 1.197 nan 8.150 nan 0.000 0.497 181 V N 1.815 121.745 119.914 0.027 0.000 2.448 181 V HA 0.310 4.430 4.120 0.000 0.000 0.295 181 V C -0.499 175.620 176.094 0.041 0.000 1.025 181 V CA -0.523 61.809 62.300 0.052 0.000 0.859 181 V CB 1.372 33.221 31.823 0.043 0.000 0.988 181 V HN 0.777 nan 8.190 nan 0.000 0.431 182 L N 5.182 126.431 121.223 0.042 0.000 2.278 182 L HA 0.665 5.005 4.340 0.000 0.000 0.287 182 L C 0.703 177.578 176.870 0.007 0.000 1.072 182 L CA 0.663 55.511 54.840 0.013 0.000 0.819 182 L CB 0.982 43.038 42.059 -0.004 0.000 1.176 182 L HN 0.753 nan 8.230 nan 0.000 0.435 183 A N 3.754 126.569 122.820 -0.009 0.000 2.624 183 A HA 0.167 4.487 4.320 0.000 0.000 0.287 183 A C 1.301 178.858 177.584 -0.045 0.000 1.087 183 A CA -0.058 51.971 52.037 -0.013 0.000 0.964 183 A CB -0.583 18.422 19.000 0.009 0.000 1.231 183 A HN 0.852 nan 8.150 nan 0.000 0.551 184 N N -0.010 118.650 118.700 -0.067 0.000 2.459 184 N HA -0.078 4.662 4.740 0.000 0.000 0.181 184 N C 1.214 176.673 175.510 -0.085 0.000 1.046 184 N CA 1.626 54.627 53.050 -0.081 0.000 0.904 184 N CB 0.248 38.669 38.487 -0.111 0.000 0.964 184 N HN 0.356 nan 8.380 nan 0.000 0.444 185 V N -2.321 117.542 119.914 -0.084 0.000 3.054 185 V HA 0.254 4.374 4.120 0.000 0.000 0.227 185 V C -1.162 174.909 176.094 -0.039 0.000 1.252 185 V CA -0.125 62.133 62.300 -0.069 0.000 1.279 185 V CB -1.361 30.406 31.823 -0.092 0.000 1.118 185 V HN -0.117 nan 8.190 nan 0.000 0.504 186 P HA -0.348 nan 4.420 nan 0.000 0.237 186 P C 1.058 178.350 177.300 -0.013 0.000 1.132 186 P CA 3.186 66.278 63.100 -0.014 0.000 0.939 186 P CB -0.135 31.564 31.700 -0.002 0.000 0.749 187 Q N -3.947 115.843 119.800 -0.016 0.000 2.540 187 Q HA -0.274 4.066 4.340 0.000 0.000 0.186 187 Q C 0.810 176.800 176.000 -0.016 0.000 2.876 187 Q CA 1.921 57.715 55.803 -0.015 0.000 0.213 187 Q CB -2.706 26.024 28.738 -0.013 0.000 0.199 187 Q HN 0.446 nan 8.270 nan 0.000 0.403 188 S N 2.719 118.409 115.700 -0.016 0.000 2.558 188 S HA 0.147 4.617 4.470 0.000 0.000 0.291 188 S C 0.375 174.960 174.600 -0.025 0.000 1.306 188 S CA 0.562 58.749 58.200 -0.022 0.000 1.056 188 S CB 0.460 63.648 63.200 -0.020 0.000 0.836 188 S HN 0.290 nan 8.310 nan 0.000 0.504 189 K N 3.697 124.074 120.400 -0.038 0.000 2.202 189 K HA 0.285 4.605 4.320 0.000 0.000 0.264 189 K C -0.163 176.401 176.600 -0.060 0.000 1.010 189 K CA -0.567 55.695 56.287 -0.042 0.000 0.940 189 K CB 0.484 32.954 32.500 -0.050 0.000 0.983 189 K HN 0.649 nan 8.250 nan 0.000 0.475 190 Q N 1.167 120.937 119.800 -0.050 0.000 2.221 190 Q HA 0.334 4.674 4.340 0.000 0.000 0.242 190 Q C -0.781 175.128 176.000 -0.151 0.000 0.940 190 Q CA -0.729 55.011 55.803 -0.104 0.000 0.896 190 Q CB 1.551 30.305 28.738 0.026 0.000 1.226 190 Q HN 0.465 nan 8.270 nan 0.000 0.463 191 R N 1.189 121.532 120.500 -0.262 0.000 2.502 191 R HA 0.393 4.733 4.340 0.000 0.000 0.300 191 R C -1.627 174.545 176.300 -0.214 0.000 0.984 191 R CA -0.752 55.235 56.100 -0.190 0.000 0.882 191 R CB 1.221 31.430 30.300 -0.152 0.000 1.180 191 R HN 0.340 nan 8.270 nan 0.000 0.444 192 L N 3.669 124.778 121.223 -0.189 0.000 2.301 192 L HA 0.394 4.734 4.340 0.000 0.000 0.278 192 L C -0.885 175.879 176.870 -0.176 0.000 1.022 192 L CA -0.248 54.467 54.840 -0.208 0.000 0.854 192 L CB 0.841 42.630 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.172 126.496 120.400 -0.126 0.000 2.201 193 K HA 0.602 4.922 4.320 0.000 0.000 0.278 193 K C -1.234 175.238 176.600 -0.214 0.000 1.027 193 K CA -0.419 55.792 56.287 -0.127 0.000 0.909 193 K CB 1.360 33.829 32.500 -0.053 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.457 123.527 121.223 -0.255 0.000 2.381 194 L HA 0.360 4.700 4.340 0.000 0.000 0.274 194 L C -0.436 176.187 176.870 -0.412 0.000 0.988 194 L CA -0.625 53.945 54.840 -0.451 0.000 0.824 194 L CB 1.954 43.609 42.059 -0.674 0.000 1.263 194 L HN 0.646 nan 8.230 nan 0.000 0.410 195 E N 3.180 123.118 120.200 -0.436 0.000 2.129 195 E HA 0.450 4.800 4.350 0.000 0.000 0.268 195 E C -1.304 175.107 176.600 -0.316 0.000 0.900 195 E CA -0.606 55.642 56.400 -0.253 0.000 0.755 195 E CB 1.037 30.646 29.700 -0.150 0.000 1.117 195 E HN 0.301 nan 8.360 nan 0.000 0.410 196 F N 1.887 121.847 119.950 0.017 0.000 2.370 196 F HA 0.463 4.990 4.527 0.000 0.000 0.319 196 F C 1.075 176.903 175.800 0.046 0.000 1.129 196 F CA -0.556 57.481 58.000 0.061 0.000 1.109 196 F CB 0.837 39.966 39.000 0.216 0.000 1.262 196 F HN 0.506 nan 8.300 nan 0.000 0.534 197 A N 1.644 124.614 122.820 0.248 0.000 2.448 197 A HA 0.392 4.712 4.320 0.000 0.000 0.239 197 A C -0.263 177.383 177.584 0.103 0.000 1.080 197 A CA -0.166 51.975 52.037 0.174 0.000 0.779 197 A CB -0.195 18.959 19.000 0.257 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.712 118.103 118.700 0.191 0.000 3.102 198 N HA 0.258 4.998 4.740 0.000 0.000 0.299 198 N C -0.125 175.627 175.510 0.402 0.000 1.482 198 N CA -0.826 52.364 53.050 0.233 0.000 0.785 198 N CB 0.363 38.958 38.487 0.181 0.000 1.680 198 N HN 0.297 nan 8.380 nan 0.000 0.594 199 N N -0.602 118.357 118.700 0.431 0.000 2.573 199 N HA -0.029 4.711 4.740 0.000 0.000 0.187 199 N C -0.042 175.671 175.510 0.339 0.000 1.107 199 N CA 0.647 53.989 53.050 0.486 0.000 0.918 199 N CB -0.540 38.197 38.487 0.417 0.000 0.966 199 N HN 0.579 nan 8.380 nan 0.000 0.448 200 N N -1.077 117.755 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 0.000 0.000 0.176 200 N C 1.505 177.082 175.510 0.110 0.000 1.062 200 N CA 0.800 53.946 53.050 0.160 0.000 0.895 200 N CB 0.392 38.955 38.487 0.127 0.000 1.018 200 N HN 0.238 nan 8.380 nan 0.000 0.456 201 T N -2.835 111.768 114.554 0.081 0.000 3.000 201 T HA 0.313 4.663 4.350 0.000 0.000 0.248 201 T C 1.851 176.517 174.700 -0.058 0.000 1.034 201 T CA 0.166 62.292 62.100 0.042 0.000 1.060 201 T CB 0.090 69.003 68.868 0.075 0.000 0.983 201 T HN 0.042 nan 8.240 nan 0.000 0.482 202 A N 0.811 123.485 122.820 -0.242 0.000 2.066 202 A HA 0.409 4.729 4.320 0.000 0.000 0.218 202 A C 0.140 177.240 177.584 -0.806 0.000 1.157 202 A CA 0.249 51.915 52.037 -0.619 0.000 0.670 202 A CB -0.573 17.826 19.000 -1.002 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.813 119.194 119.950 0.096 0.000 2.477 203 F HA 0.672 5.199 4.527 0.000 0.000 0.335 203 F C 0.219 176.053 175.800 0.056 0.000 1.130 203 F CA -1.422 56.619 58.000 0.067 0.000 0.948 203 F CB 1.434 40.453 39.000 0.030 0.000 1.154 203 F HN 0.067 nan 8.300 nan 0.000 0.439 204 A N 2.000 124.933 122.820 0.189 0.000 2.304 204 A HA 0.878 5.198 4.320 0.000 0.000 0.323 204 A C -0.198 177.444 177.584 0.097 0.000 1.195 204 A CA -0.587 51.517 52.037 0.111 0.000 0.826 204 A CB 0.675 19.708 19.000 0.056 0.000 1.184 204 A HN 0.967 nan 8.150 nan 0.000 0.496 205 A N 1.671 124.536 122.820 0.075 0.000 2.332 205 A HA 0.535 4.855 4.320 0.000 0.000 0.258 205 A C 0.394 177.997 177.584 0.031 0.000 1.087 205 A CA -0.319 51.747 52.037 0.048 0.000 0.802 205 A CB 0.012 19.038 19.000 0.043 0.000 1.042 205 A HN 1.218 nan 8.150 nan 0.000 0.489 206 V N 1.374 121.296 119.914 0.014 0.000 2.617 206 V HA 0.354 4.474 4.120 0.000 0.000 0.304 206 V C 1.691 177.790 176.094 0.010 0.000 1.040 206 V CA 1.888 64.193 62.300 0.008 0.000 1.149 206 V CB -0.045 31.776 31.823 -0.003 0.000 0.914 206 V HN 1.967 nan 8.190 nan 0.000 0.487 207 G N 3.209 112.014 108.800 0.008 0.000 2.241 207 G HA2 -0.128 3.832 3.960 0.000 0.000 0.244 207 G HA3 -0.128 3.832 3.960 0.000 0.000 0.244 207 G C 0.414 175.319 174.900 0.009 0.000 0.998 207 G CA 0.263 45.366 45.100 0.005 0.000 0.621 207 G HN 1.513 nan 8.290 nan 0.000 0.519 208 A N -0.128 122.703 122.820 0.019 0.000 2.271 208 A HA 0.656 4.976 4.320 0.000 0.000 0.288 208 A C 0.501 178.102 177.584 0.028 0.000 1.094 208 A CA 0.110 52.161 52.037 0.025 0.000 0.828 208 A CB 0.385 19.407 19.000 0.036 0.000 1.091 208 A HN 0.518 nan 8.150 nan 0.000 0.493 209 N N 1.103 119.823 118.700 0.035 0.000 2.452 209 N HA 0.136 4.876 4.740 0.000 0.000 0.266 209 N C -1.754 173.780 175.510 0.040 0.000 1.175 209 N CA -1.307 51.779 53.050 0.059 0.000 0.945 209 N CB 1.013 39.538 38.487 0.062 0.000 1.063 209 N HN 0.350 nan 8.380 nan 0.000 0.472 210 P HA -0.008 nan 4.420 nan 0.000 0.255 210 P C 1.521 178.657 177.300 -0.274 0.000 1.248 210 P CA -0.123 62.913 63.100 -0.106 0.000 0.807 210 P CB 0.476 32.094 31.700 -0.137 0.000 1.150 211 L N 1.567 122.646 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 0.000 0.000 0.219 211 L C 1.745 178.415 176.870 -0.334 0.000 1.077 211 L CA 2.206 56.775 54.840 -0.451 0.000 0.773 211 L CB -0.904 41.125 42.059 -0.050 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.013 120.151 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 0.000 0.000 0.195 212 E C 0.680 177.304 176.600 0.041 0.000 1.039 212 E CA 0.574 57.023 56.400 0.082 0.000 0.881 212 E CB -0.071 29.713 29.700 0.140 0.000 0.970 212 E HN 0.576 nan 8.360 nan 0.000 0.486 213 A N 0.733 123.526 122.820 -0.045 0.000 2.271 213 A HA 0.511 4.831 4.320 0.000 0.000 0.288 213 A C 1.098 178.640 177.584 -0.069 0.000 1.094 213 A CA -0.444 51.561 52.037 -0.053 0.000 0.828 213 A CB 0.532 19.507 19.000 -0.042 0.000 1.091 213 A HN 0.049 nan 8.150 nan 0.000 0.493 214 I N -1.586 118.935 120.570 -0.082 0.000 3.039 214 I HA 0.125 4.295 4.170 0.000 0.000 0.270 214 I C -0.377 175.556 176.117 -0.307 0.000 1.150 214 I CA 0.637 61.857 61.300 -0.135 0.000 1.448 214 I CB 0.004 37.986 38.000 -0.031 0.000 1.197 214 I HN 0.581 nan 8.210 nan 0.000 0.450 215 Y N 0.339 120.667 120.300 0.046 0.000 2.499 215 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 215 Y C -0.251 175.707 175.900 0.096 0.000 0.987 215 Y CA -0.768 57.391 58.100 0.099 0.000 1.044 215 Y CB 1.735 40.304 38.460 0.182 0.000 1.245 215 Y HN -0.068 nan 8.280 nan 0.000 0.461 216 Q N 1.262 121.187 119.800 0.208 0.000 2.359 216 Q HA 0.765 5.105 4.340 0.000 0.000 0.274 216 Q C -0.978 175.079 176.000 0.094 0.000 1.074 216 Q CA -0.627 55.248 55.803 0.121 0.000 0.810 216 Q CB 2.659 31.424 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.375 109.206 108.800 0.052 0.000 2.337 217 G HA2 0.358 4.318 3.960 0.000 0.000 0.298 217 G HA3 0.358 4.318 3.960 0.000 0.000 0.298 217 G C -0.267 174.605 174.900 -0.047 0.000 1.335 217 G CA -0.132 44.970 45.100 0.003 0.000 0.875 217 G HN 0.722 nan 8.290 nan 0.000 0.579 218 A N -0.867 121.896 122.820 -0.095 0.000 2.070 218 A HA 0.321 4.641 4.320 0.000 0.000 0.220 218 A C 2.237 179.623 177.584 -0.330 0.000 1.159 218 A CA 2.716 54.656 52.037 -0.162 0.000 0.656 218 A CB -0.434 18.470 19.000 -0.160 0.000 0.800 218 A HN 1.995 nan 8.150 nan 0.000 0.453 219 G N -1.730 106.859 108.800 -0.352 0.000 3.189 219 G HA2 0.343 4.303 3.960 0.000 0.000 0.225 219 G HA3 0.343 4.303 3.960 0.000 0.000 0.225 219 G C 1.287 176.085 174.900 -0.169 0.000 1.159 219 G CA 0.852 45.673 45.100 -0.464 0.000 0.763 219 G HN 0.607 nan 8.290 nan 0.000 0.549 220 A N 1.464 124.227 122.820 -0.097 0.000 1.917 220 A HA 0.103 4.423 4.320 0.000 0.000 0.219 220 A C 2.761 180.332 177.584 -0.022 0.000 1.182 220 A CA 2.247 54.267 52.037 -0.027 0.000 0.633 220 A CB -0.715 18.335 19.000 0.084 0.000 0.819 220 A HN 0.797 nan 8.150 nan 0.000 0.448 221 A N -0.691 122.144 122.820 0.025 0.000 2.024 221 A HA -0.164 4.156 4.320 0.000 0.000 0.220 221 A C 1.357 178.948 177.584 0.012 0.000 1.164 221 A CA 1.776 53.842 52.037 0.048 0.000 0.643 221 A CB -0.339 18.702 19.000 0.069 0.000 0.806 221 A HN 0.482 nan 8.150 nan 0.000 0.451 222 D N -1.196 119.203 120.400 -0.002 0.000 2.388 222 D HA 0.196 4.836 4.640 0.000 0.000 0.221 222 D C -0.353 175.831 176.300 -0.193 0.000 1.133 222 D CA -0.036 53.935 54.000 -0.049 0.000 0.831 222 D CB -0.091 40.721 40.800 0.020 0.000 0.962 222 D HN 0.290 nan 8.370 nan 0.000 0.502 223 C N 1.545 120.605 119.300 -0.400 0.000 2.398 223 C HA 0.568 5.028 4.460 0.000 0.000 0.364 223 C C 0.531 175.014 174.990 -0.845 0.000 1.219 223 C CA -0.503 58.028 59.018 -0.811 0.000 2.312 223 C CB 0.835 27.688 27.740 -1.479 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.609 120.405 120.200 -0.673 0.000 2.401 224 E HA 0.455 4.805 4.350 0.000 0.000 0.280 224 E C -1.765 174.801 176.600 -0.057 0.000 1.039 224 E CA -0.690 55.601 56.400 -0.183 0.000 0.814 224 E CB 0.587 30.270 29.700 -0.027 0.000 1.275 224 E HN 0.356 nan 8.360 nan 0.000 0.448 225 F N 1.530 121.607 119.950 0.211 0.000 2.427 225 F HA 0.164 4.691 4.527 0.000 0.000 0.352 225 F C 1.777 177.601 175.800 0.039 0.000 1.100 225 F CA 0.012 58.098 58.000 0.144 0.000 1.191 225 F CB 1.440 40.513 39.000 0.122 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.569 121.881 120.200 0.187 0.000 2.076 226 E HA -0.060 4.290 4.350 0.000 0.000 0.190 226 E C -0.384 176.252 176.600 0.060 0.000 0.979 226 E CA 1.037 57.487 56.400 0.084 0.000 0.807 226 E CB 0.400 30.123 29.700 0.039 0.000 0.761 226 E HN 0.752 nan 8.360 nan 0.000 0.454 227 E N -0.943 119.291 120.200 0.057 0.000 2.398 227 E HA 0.390 4.740 4.350 0.000 0.000 0.280 227 E C -1.329 175.129 176.600 -0.236 0.000 1.122 227 E CA -0.581 55.743 56.400 -0.127 0.000 0.873 227 E CB 0.361 29.980 29.700 -0.135 0.000 1.294 227 E HN 0.081 nan 8.360 nan 0.000 0.435 228 I N 0.560 120.751 120.570 -0.633 0.000 2.686 228 I HA 0.680 4.850 4.170 0.000 0.000 0.295 228 I C -0.917 174.764 176.117 -0.727 0.000 1.114 228 I CA -0.880 59.987 61.300 -0.722 0.000 1.038 228 I CB 2.391 39.704 38.000 -1.146 0.000 1.238 228 I HN 0.544 nan 8.210 nan 0.000 0.420 229 S N 3.621 119.095 115.700 -0.378 0.000 2.548 229 S HA 0.740 5.210 4.470 0.000 0.000 0.286 229 S C -1.507 173.026 174.600 -0.111 0.000 1.098 229 S CA -0.622 57.417 58.200 -0.268 0.000 0.930 229 S CB 2.012 65.099 63.200 -0.188 0.000 1.070 229 S HN 0.531 nan 8.310 nan 0.000 0.480 230 Y N -1.256 118.959 120.300 -0.143 0.000 2.562 230 Y HA 0.858 5.408 4.550 0.000 0.000 0.345 230 Y C -0.942 174.932 175.900 -0.043 0.000 1.045 230 Y CA -0.862 57.213 58.100 -0.041 0.000 1.028 230 Y CB 1.151 39.652 38.460 0.069 0.000 1.297 230 Y HN 0.434 nan 8.280 nan 0.000 0.463 231 T N 2.906 117.580 114.554 0.199 0.000 2.928 231 T HA 0.530 4.880 4.350 0.000 0.000 0.296 231 T C -1.455 173.334 174.700 0.148 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.507 70.342 68.868 -0.054 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.116 124.093 119.914 0.106 0.000 2.398 232 V HA 0.478 4.598 4.120 0.000 0.000 0.286 232 V C -1.127 175.005 176.094 0.064 0.000 1.026 232 V CA -0.761 61.640 62.300 0.169 0.000 0.868 232 V CB 0.832 32.754 31.823 0.166 0.000 0.982 232 V HN 0.806 nan 8.190 nan 0.000 0.443 233 Y N 3.020 123.504 120.300 0.308 0.000 2.352 233 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 233 Y C 0.312 176.409 175.900 0.328 0.000 0.992 233 Y CA -0.324 57.953 58.100 0.295 0.000 1.100 233 Y CB 1.685 40.316 38.460 0.286 0.000 1.192 233 Y HN 0.574 nan 8.280 nan 0.000 0.458 234 Q N 2.134 122.198 119.800 0.440 0.000 2.271 234 Q HA 0.456 4.796 4.340 0.000 0.000 0.258 234 Q C -0.886 175.280 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.284 0.000 0.909 234 Q CB 1.315 30.245 28.738 0.320 0.000 1.253 234 Q HN 0.655 nan 8.270 nan 0.000 0.440 235 S N 4.283 120.052 115.700 0.114 0.000 2.433 235 S HA 0.626 5.096 4.470 0.000 0.000 0.310 235 S C -1.387 173.302 174.600 0.148 0.000 1.097 235 S CA -0.380 57.917 58.200 0.161 0.000 1.103 235 S CB 0.250 63.647 63.200 0.328 0.000 0.992 235 S HN 0.565 nan 8.310 nan 0.000 0.469 236 Y N 2.114 122.423 120.300 0.016 0.000 2.689 236 Y HA 0.720 5.270 4.550 0.000 0.000 0.333 236 Y C -1.859 174.058 175.900 0.028 0.000 1.190 236 Y CA -1.579 56.522 58.100 0.001 0.000 1.063 236 Y CB 0.815 39.274 38.460 -0.003 0.000 1.294 236 Y HN 0.425 nan 8.280 nan 0.000 0.466 237 L N 2.429 123.758 121.223 0.177 0.000 2.313 237 L HA 0.482 4.822 4.340 0.000 0.000 0.283 237 L C -0.851 176.161 176.870 0.238 0.000 1.013 237 L CA -0.566 54.332 54.840 0.097 0.000 0.816 237 L CB 1.447 43.553 42.059 0.079 0.000 1.236 237 L HN 0.686 nan 8.230 nan 0.000 0.419 238 D N 1.915 122.432 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 0.000 0.000 0.250 238 D C -0.366 176.052 176.300 0.198 0.000 1.050 238 D CA 0.002 54.158 54.000 0.260 0.000 1.024 238 D CB 1.398 42.371 40.800 0.289 0.000 1.218 238 D HN 0.369 nan 8.370 nan 0.000 0.566 239 Q N 0.215 120.128 119.800 0.188 0.000 2.460 239 Q HA -0.175 4.165 4.340 0.000 0.000 0.311 239 Q C -0.457 175.633 176.000 0.150 0.000 1.396 239 Q CA 0.371 56.264 55.803 0.150 0.000 0.838 239 Q CB -1.874 26.937 28.738 0.122 0.000 1.140 239 Q HN 0.469 nan 8.270 nan 0.000 0.415 240 L N 2.041 123.394 121.223 0.216 0.000 2.490 240 L HA 0.130 4.470 4.340 0.000 0.000 0.274 240 L C -1.053 175.881 176.870 0.107 0.000 1.201 240 L CA -1.164 53.815 54.840 0.231 0.000 0.869 240 L CB -0.207 42.100 42.059 0.414 0.000 1.123 240 L HN 0.018 nan 8.230 nan 0.000 0.484 241 P HA 0.117 nan 4.420 nan 0.000 0.271 241 P C -0.847 176.371 177.300 -0.136 0.000 1.216 241 P CA -0.152 62.931 63.100 -0.029 0.000 0.771 241 P CB 1.294 32.999 31.700 0.009 0.000 0.864 242 V N 2.661 122.446 119.914 -0.216 0.000 2.628 242 V HA 0.737 4.857 4.120 0.000 0.000 0.306 242 V C 0.910 176.923 176.094 -0.135 0.000 1.045 242 V CA -0.146 61.978 62.300 -0.292 0.000 0.905 242 V CB 1.642 33.217 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.598 110.343 108.800 -0.092 0.000 3.257 243 G HA2 0.558 4.518 3.960 0.000 0.000 0.205 243 G HA3 0.558 4.518 3.960 0.000 0.000 0.205 243 G C 0.567 175.447 174.900 -0.033 0.000 1.234 243 G CA 0.581 45.653 45.100 -0.046 0.000 0.918 243 G HN 0.731 nan 8.290 nan 0.000 0.602 244 Q N -1.432 118.359 119.800 -0.015 0.000 1.942 244 Q HA -0.125 4.215 4.340 0.000 0.000 0.203 244 Q C 2.527 178.528 176.000 0.002 0.000 0.987 244 Q CA 2.710 58.509 55.803 -0.007 0.000 0.844 244 Q CB -1.963 26.774 28.738 -0.002 0.000 0.911 244 Q HN 1.293 nan 8.270 nan 0.000 0.423 245 N N -0.025 118.682 118.700 0.012 0.000 2.573 245 N HA 0.387 5.127 4.740 0.000 0.000 0.187 245 N C 1.400 176.935 175.510 0.041 0.000 1.107 245 N CA 1.572 54.637 53.050 0.025 0.000 0.918 245 N CB -0.175 38.328 38.487 0.028 0.000 0.966 245 N HN 1.557 nan 8.380 nan 0.000 0.448 246 G N -1.687 107.131 108.800 0.029 0.000 2.295 246 G HA2 0.031 3.991 3.960 0.000 0.000 0.195 246 G HA3 0.031 3.991 3.960 0.000 0.000 0.195 246 G C -1.054 173.868 174.900 0.036 0.000 1.269 246 G CA -0.372 44.758 45.100 0.049 0.000 1.170 246 G HN 0.418 nan 8.290 nan 0.000 0.511 247 Y N 0.904 121.215 120.300 0.017 0.000 2.717 247 Y HA 0.393 4.943 4.550 0.000 0.000 0.330 247 Y C 1.504 177.414 175.900 0.017 0.000 1.217 247 Y CA 0.528 58.640 58.100 0.020 0.000 1.506 247 Y CB 0.339 38.813 38.460 0.023 0.000 1.268 247 Y HN 0.368 nan 8.280 nan 0.000 0.561 248 I N 6.181 126.826 120.570 0.126 0.000 2.322 248 I HA 0.181 4.351 4.170 0.000 0.000 0.292 248 I C -0.586 175.592 176.117 0.101 0.000 1.060 248 I CA 0.152 61.502 61.300 0.082 0.000 1.309 248 I CB -0.040 37.983 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.560 129.832 121.223 0.082 0.000 2.401 249 L HA 0.511 4.851 4.340 0.000 0.000 0.266 249 L C -2.455 174.437 176.870 0.036 0.000 0.991 249 L CA -1.873 53.006 54.840 0.066 0.000 0.818 249 L CB 2.555 44.656 42.059 0.069 0.000 1.321 249 L HN 0.345 nan 8.230 nan 0.000 0.413 250 P HA 0.174 nan 4.420 nan 0.000 0.273 250 P C 0.645 177.944 177.300 -0.001 0.000 1.428 250 P CA -0.249 62.854 63.100 0.005 0.000 0.995 250 P CB 0.666 32.364 31.700 -0.003 0.000 1.286 251 L N 2.719 123.943 121.223 0.000 0.000 2.131 251 L HA -0.160 4.180 4.340 0.000 0.000 0.210 251 L C 2.379 179.239 176.870 -0.016 0.000 1.092 251 L CA 1.317 56.156 54.840 -0.002 0.000 0.759 251 L CB -0.554 41.506 42.059 0.002 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.390 120.160 120.570 -0.033 0.000 2.233 252 I HA -0.235 3.935 4.170 0.000 0.000 0.243 252 I C 2.118 178.188 176.117 -0.078 0.000 1.093 252 I CA 1.038 62.303 61.300 -0.057 0.000 1.380 252 I CB -0.425 37.531 38.000 -0.073 0.000 1.067 252 I HN 0.206 nan 8.210 nan 0.000 0.413 253 D N 1.322 121.677 120.400 -0.075 0.000 2.106 253 D HA -0.172 4.468 4.640 0.000 0.000 0.191 253 D C 2.198 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.456 55.407 54.000 -0.082 0.000 0.834 253 D CB -0.398 40.372 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.056 121.274 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 0.000 0.000 0.224 254 L C 1.507 178.394 176.870 0.029 0.000 1.145 254 L CA 0.546 55.400 54.840 0.023 0.000 0.834 254 L CB 0.023 42.098 42.059 0.026 0.000 0.944 254 L HN -0.119 nan 8.230 nan 0.000 0.451 255 S N -1.636 114.065 115.700 0.001 0.000 2.554 255 S HA 0.121 4.591 4.470 0.000 0.000 0.226 255 S C 0.557 175.148 174.600 -0.015 0.000 0.980 255 S CA -0.149 58.053 58.200 0.003 0.000 0.939 255 S CB 0.413 63.611 63.200 -0.004 0.000 0.832 255 S HN 0.229 nan 8.310 nan 0.000 0.486 256 T N 2.494 117.028 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 0.000 0.000 0.281 256 T C -0.465 174.227 174.700 -0.014 0.000 1.007 256 T CA -0.443 61.620 62.100 -0.062 0.000 1.009 256 T CB 1.291 70.051 68.868 -0.180 0.000 0.983 256 T HN 0.091 nan 8.240 nan 0.000 0.455 257 L N 2.965 124.180 121.223 -0.015 0.000 2.295 257 L HA 0.499 4.839 4.340 0.000 0.000 0.285 257 L C -1.002 175.954 176.870 0.143 0.000 1.035 257 L CA -1.120 53.693 54.840 -0.044 0.000 0.806 257 L CB 0.848 42.761 42.059 -0.243 0.000 1.214 257 L HN 0.626 nan 8.230 nan 0.000 0.426 258 Y N 4.042 124.396 120.300 0.091 0.000 2.388 258 Y HA 0.489 5.039 4.550 0.000 0.000 0.328 258 Y C -0.931 174.925 175.900 -0.074 0.000 0.963 258 Y CA -1.130 57.073 58.100 0.171 0.000 1.240 258 Y CB 0.653 39.348 38.460 0.392 0.000 1.118 258 Y HN 0.529 nan 8.280 nan 0.000 0.484 259 N N 5.030 123.282 118.700 -0.748 0.000 2.265 259 N HA 0.539 5.279 4.740 0.000 0.000 0.300 259 N C -1.898 173.096 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.283 40.271 38.487 -0.831 0.000 1.434 259 N HN 0.478 nan 8.380 nan 0.000 0.481 260 L N 0.769 121.698 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 0.000 0.000 0.276 260 L C 0.117 176.984 176.870 -0.005 0.000 1.006 260 L CA -0.186 54.541 54.840 -0.187 0.000 0.817 260 L CB 1.290 43.219 42.059 -0.216 0.000 1.272 260 L HN 0.452 nan 8.230 nan 0.000 0.421 261 E N 1.746 122.080 120.200 0.225 0.000 2.390 261 E HA 0.444 4.794 4.350 0.000 0.000 0.277 261 E C -1.416 175.283 176.600 0.165 0.000 0.939 261 E CA -0.891 55.640 56.400 0.219 0.000 0.769 261 E CB 2.785 32.696 29.700 0.352 0.000 1.251 261 E HN 0.642 nan 8.360 nan 0.000 0.450 262 N N 0.309 119.040 118.700 0.052 0.000 2.381 262 N HA 0.573 5.313 4.740 0.000 0.000 0.294 262 N C -1.142 174.400 175.510 0.054 0.000 1.216 262 N CA -0.620 52.388 53.050 -0.070 0.000 0.803 262 N CB 2.175 40.522 38.487 -0.233 0.000 1.372 262 N HN 0.355 nan 8.380 nan 0.000 0.500 263 S N -1.499 114.232 115.700 0.051 0.000 2.643 263 S HA 0.828 5.298 4.470 0.000 0.000 0.270 263 S C -2.034 172.624 174.600 0.098 0.000 1.166 263 S CA -0.530 57.730 58.200 0.101 0.000 0.815 263 S CB 0.913 64.214 63.200 0.169 0.000 1.139 263 S HN 1.077 nan 8.310 nan 0.000 0.472 264 A N 1.837 124.722 122.820 0.109 0.000 2.414 264 A HA 0.847 5.167 4.320 0.000 0.000 0.306 264 A C -1.457 176.206 177.584 0.132 0.000 1.054 264 A CA -0.580 51.533 52.037 0.127 0.000 0.724 264 A CB 1.694 20.769 19.000 0.125 0.000 1.267 264 A HN 0.652 nan 8.150 nan 0.000 0.418 265 Q N 0.076 119.979 119.800 0.171 0.000 2.359 265 Q HA 0.722 5.062 4.340 0.000 0.000 0.274 265 Q C -0.704 175.454 176.000 0.263 0.000 1.074 265 Q CA -0.603 55.348 55.803 0.246 0.000 0.810 265 Q CB 2.530 31.464 28.738 0.326 0.000 1.342 265 Q HN 1.102 nan 8.270 nan 0.000 0.427 266 A N -0.430 122.551 122.820 0.268 0.000 2.486 266 A HA 0.914 5.234 4.320 0.000 0.000 0.289 266 A C 0.222 177.915 177.584 0.181 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.597 20.630 19.000 0.054 0.000 1.337 266 A HN 1.019 nan 8.150 nan 0.000 0.423 267 G N -0.979 107.816 108.800 -0.008 0.000 2.155 267 G HA2 0.015 3.975 3.960 0.000 0.000 0.135 267 G HA3 0.015 3.975 3.960 0.000 0.000 0.135 267 G C -0.415 174.477 174.900 -0.012 0.000 1.023 267 G CA -0.068 45.092 45.100 0.099 0.000 0.688 267 G HN 0.776 nan 8.290 nan 0.000 0.499 268 L N 1.448 122.443 121.223 -0.380 0.000 2.371 268 L HA 0.710 5.050 4.340 0.000 0.000 0.272 268 L C 0.565 177.344 176.870 -0.150 0.000 1.124 268 L CA 0.217 54.804 54.840 -0.421 0.000 0.816 268 L CB 1.509 43.187 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.904 116.405 114.554 -0.089 0.000 2.916 269 T HA 0.378 4.728 4.350 0.000 0.000 0.298 269 T C -2.666 172.002 174.700 -0.053 0.000 1.031 269 T CA -1.468 60.604 62.100 -0.047 0.000 0.993 269 T CB 1.868 70.728 68.868 -0.014 0.000 1.045 269 T HN 0.205 nan 8.240 nan 0.000 0.454 270 P HA 0.049 nan 4.420 nan 0.000 0.261 270 P C 0.353 177.625 177.300 -0.046 0.000 1.173 270 P CA 0.480 63.555 63.100 -0.042 0.000 0.760 270 P CB 0.121 31.806 31.700 -0.025 0.000 0.783 271 N N -0.869 117.790 118.700 -0.068 0.000 2.753 271 N HA -0.145 4.595 4.740 0.000 0.000 0.251 271 N C -0.603 174.872 175.510 -0.058 0.000 1.097 271 N CA 0.762 53.773 53.050 -0.065 0.000 0.786 271 N CB -1.666 36.804 38.487 -0.028 0.000 1.137 271 N HN 0.181 nan 8.380 nan 0.000 0.566 272 V N 0.803 120.678 119.914 -0.066 0.000 2.555 272 V HA 0.239 4.359 4.120 0.000 0.000 0.302 272 V C 0.085 176.147 176.094 -0.052 0.000 1.038 272 V CA -0.864 61.414 62.300 -0.036 0.000 0.887 272 V CB 2.192 34.012 31.823 -0.005 0.000 0.991 272 V HN -0.057 nan 8.190 nan 0.000 0.434 273 D N 3.230 123.610 120.400 -0.035 0.000 2.434 273 D HA 0.132 4.772 4.640 0.000 0.000 0.252 273 D C -0.579 175.731 176.300 0.017 0.000 1.185 273 D CA 0.492 54.467 54.000 -0.042 0.000 0.886 273 D CB 0.422 41.220 40.800 -0.003 0.000 1.148 273 D HN 0.344 nan 8.370 nan 0.000 0.483 274 F N 3.626 123.480 119.950 -0.160 0.000 2.385 274 F HA 0.327 4.854 4.527 0.000 0.000 0.360 274 F C -0.726 175.015 175.800 -0.098 0.000 1.122 274 F CA -0.793 57.130 58.000 -0.129 0.000 1.090 274 F CB 0.791 39.687 39.000 -0.173 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.894 126.522 119.914 -0.476 0.000 2.417 275 V HA 0.422 4.542 4.120 0.000 0.000 0.291 275 V C -0.580 175.253 176.094 -0.435 0.000 1.024 275 V CA -0.894 61.207 62.300 -0.331 0.000 0.861 275 V CB 1.442 33.150 31.823 -0.193 0.000 0.985 275 V HN 0.494 nan 8.190 nan 0.000 0.436 276 V N 5.307 125.074 119.914 -0.245 0.000 2.328 276 V HA 0.331 4.451 4.120 0.000 0.000 0.278 276 V C 0.151 176.124 176.094 -0.202 0.000 1.021 276 V CA -0.619 61.549 62.300 -0.219 0.000 0.838 276 V CB 1.166 32.927 31.823 -0.103 0.000 0.999 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 Q N 3.257 122.943 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 0.000 0.000 0.260 277 Q C -1.169 174.685 176.000 -0.244 0.000 0.976 277 Q CA -0.062 55.652 55.803 -0.147 0.000 0.881 277 Q CB 0.999 29.677 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.358 120.547 120.300 -0.185 0.000 2.310 278 Y HA 0.378 4.928 4.550 0.000 0.000 0.326 278 Y C 0.514 176.304 175.900 -0.185 0.000 1.151 278 Y CA -0.531 57.350 58.100 -0.365 0.000 1.195 278 Y CB 1.033 39.203 38.460 -0.484 0.000 1.210 278 Y HN 0.670 nan 8.280 nan 0.000 0.483 279 A N 2.683 125.523 122.820 0.032 0.000 2.296 279 A HA 0.366 4.686 4.320 0.000 0.000 0.264 279 A C -0.201 177.367 177.584 -0.027 0.000 1.097 279 A CA -0.767 51.224 52.037 -0.078 0.000 0.811 279 A CB 0.029 18.849 19.000 -0.300 0.000 1.072 279 A HN 0.870 nan 8.150 nan 0.000 0.495 280 N N -1.217 117.397 118.700 -0.145 0.000 2.413 280 N HA 0.460 5.200 4.740 0.000 0.000 0.266 280 N C 0.253 175.666 175.510 -0.162 0.000 1.238 280 N CA -0.038 52.929 53.050 -0.137 0.000 0.972 280 N CB 0.876 39.272 38.487 -0.151 0.000 1.210 280 N HN 1.347 nan 8.380 nan 0.000 0.547 281 L N -3.578 117.614 121.223 -0.052 0.000 3.121 281 L HA -0.223 4.117 4.340 0.000 0.000 0.404 281 L C -1.055 176.094 176.870 0.465 0.000 0.695 281 L CA 1.670 56.626 54.840 0.192 0.000 3.096 281 L CB -1.593 40.504 42.059 0.063 0.000 0.683 281 L HN 0.633 nan 8.230 nan 0.000 0.743 282 Y N 2.152 122.470 120.300 0.030 0.000 2.309 282 Y HA 0.546 5.096 4.550 0.000 0.000 0.327 282 Y C 1.065 176.973 175.900 0.014 0.000 1.172 282 Y CA -0.595 57.382 58.100 -0.205 0.000 1.280 282 Y CB 0.406 38.272 38.460 -0.990 0.000 1.234 282 Y HN 0.181 nan 8.280 nan 0.000 0.512 283 R N 3.676 124.272 120.500 0.161 0.000 2.233 283 R HA 0.241 4.581 4.340 0.000 0.000 0.334 283 R C -1.482 174.898 176.300 0.132 0.000 1.037 283 R CA -0.579 55.620 56.100 0.165 0.000 0.920 283 R CB 0.193 30.526 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.159 123.586 120.300 0.213 0.000 2.486 284 Y HA 0.041 4.591 4.550 0.000 0.000 0.348 284 Y C 1.453 177.434 175.900 0.136 0.000 1.000 284 Y CA -0.235 58.005 58.100 0.235 0.000 1.253 284 Y CB 0.642 39.261 38.460 0.264 0.000 1.140 284 Y HN 0.452 nan 8.280 nan 0.000 0.526 285 L N 1.905 123.266 121.223 0.229 0.000 2.209 285 L HA 0.032 4.372 4.340 0.000 0.000 0.207 285 L C 0.766 177.760 176.870 0.207 0.000 1.094 285 L CA 0.601 55.516 54.840 0.125 0.000 0.790 285 L CB -0.119 41.932 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.983 113.900 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 0.000 0.000 0.270 286 S C -0.612 174.187 174.600 0.333 0.000 1.149 286 S CA -0.680 57.670 58.200 0.250 0.000 0.837 286 S CB 2.375 65.772 63.200 0.329 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 1.953 116.614 114.554 0.179 0.000 2.881 287 T HA 0.608 4.958 4.350 0.000 0.000 0.290 287 T C -0.947 173.738 174.700 -0.024 0.000 1.000 287 T CA -0.416 61.742 62.100 0.095 0.000 0.978 287 T CB 0.885 69.854 68.868 0.169 0.000 0.997 287 T HN 0.659 nan 8.240 nan 0.000 0.443 288 I N 2.290 122.777 120.570 -0.139 0.000 2.465 288 I HA 0.710 4.880 4.170 0.000 0.000 0.291 288 I C -0.351 175.632 176.117 -0.223 0.000 1.014 288 I CA -0.967 60.302 61.300 -0.052 0.000 1.093 288 I CB 1.738 39.809 38.000 0.118 0.000 1.267 288 I HN 0.726 nan 8.210 nan 0.000 0.431 289 A N 6.362 129.109 122.820 -0.122 0.000 2.335 289 A HA 0.748 5.068 4.320 0.000 0.000 0.304 289 A C -1.084 176.606 177.584 0.176 0.000 1.118 289 A CA -0.476 51.503 52.037 -0.097 0.000 0.757 289 A CB 1.382 20.212 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.345 123.390 119.914 0.218 0.000 2.370 290 V HA 0.305 4.425 4.120 0.000 0.000 0.283 290 V C -0.653 175.657 176.094 0.361 0.000 1.023 290 V CA -0.380 62.095 62.300 0.293 0.000 0.857 290 V CB 1.168 33.131 31.823 0.232 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.324 125.393 119.950 0.198 0.000 2.451 291 F HA 0.360 4.887 4.527 0.000 0.000 0.356 291 F C 0.469 176.175 175.800 -0.157 0.000 1.178 291 F CA -1.821 56.206 58.000 0.046 0.000 1.210 291 F CB 0.141 39.184 39.000 0.073 0.000 1.504 291 F HN 0.604 nan 8.300 nan 0.000 0.598 292 D N 4.106 124.507 120.400 0.002 0.000 2.435 292 D HA -0.030 4.610 4.640 0.000 0.000 0.230 292 D C -0.061 175.914 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.517 0.000 0.947 292 D CB -0.319 40.423 40.800 -0.097 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.853 120.978 118.700 -0.958 0.000 3.178 293 N HA 0.199 4.939 4.740 0.000 0.000 0.300 293 N C 0.737 175.946 175.510 -0.501 0.000 1.242 293 N CA 0.448 52.983 53.050 -0.860 0.000 1.192 293 N CB -0.468 37.306 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.810 109.414 108.800 -0.328 0.000 2.295 294 G HA2 -0.208 3.752 3.960 0.000 0.000 0.287 294 G HA3 -0.208 3.752 3.960 0.000 0.000 0.287 294 G C 0.964 175.735 174.900 -0.215 0.000 1.055 294 G CA 0.505 45.479 45.100 -0.210 0.000 0.922 294 G HN 1.095 nan 8.290 nan 0.000 0.503 295 G N -2.328 106.301 108.800 -0.285 0.000 2.195 295 G HA2 -0.056 3.904 3.960 0.000 0.000 0.246 295 G HA3 -0.056 3.904 3.960 0.000 0.000 0.246 295 G C 0.463 175.231 174.900 -0.220 0.000 0.984 295 G CA 0.694 45.694 45.100 -0.167 0.000 0.633 295 G HN 1.746 nan 8.290 nan 0.000 0.525 296 S N 0.079 115.518 115.700 -0.436 0.000 2.489 296 S HA 0.768 5.238 4.470 0.000 0.000 0.291 296 S C -0.818 173.377 174.600 -0.675 0.000 1.151 296 S CA -0.333 57.659 58.200 -0.347 0.000 1.082 296 S CB 0.903 63.937 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.980 122.829 119.950 -0.170 0.000 2.445 297 F HA 0.438 4.965 4.527 0.000 0.000 0.348 297 F C 0.463 176.204 175.800 -0.097 0.000 1.125 297 F CA -0.852 57.058 58.000 -0.151 0.000 0.983 297 F CB 1.158 40.070 39.000 -0.146 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.427 120.128 118.700 0.002 0.000 2.430 298 N HA 0.512 5.252 4.740 0.000 0.000 0.298 298 N C -0.455 175.126 175.510 0.118 0.000 1.130 298 N CA -0.702 52.370 53.050 0.038 0.000 0.894 298 N CB 2.173 40.648 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.492 123.377 122.820 0.108 0.000 3.063 299 A HA 0.471 4.791 4.320 0.000 0.000 0.263 299 A C 1.327 179.022 177.584 0.186 0.000 1.736 299 A CA 0.277 52.396 52.037 0.135 0.000 1.408 299 A CB -1.396 17.662 19.000 0.097 0.000 1.108 299 A HN 0.906 nan 8.150 nan 0.000 0.621 300 G N 1.024 109.999 108.800 0.290 0.000 2.257 300 G HA2 -0.414 3.546 3.960 0.000 0.000 0.267 300 G HA3 -0.414 3.546 3.960 0.000 0.000 0.267 300 G C 1.285 176.273 174.900 0.147 0.000 0.984 300 G CA 1.566 46.829 45.100 0.272 0.000 0.626 300 G HN 1.504 nan 8.290 nan 0.000 0.540 301 T N -0.723 113.898 114.554 0.112 0.000 3.051 301 T HA 0.072 4.422 4.350 0.000 0.000 0.269 301 T C 1.488 176.220 174.700 0.053 0.000 1.127 301 T CA 1.795 63.936 62.100 0.068 0.000 1.107 301 T CB -0.186 68.710 68.868 0.047 0.000 0.898 301 T HN 0.612 nan 8.240 nan 0.000 0.517 302 D N 0.366 120.810 120.400 0.073 0.000 2.368 302 D HA 0.232 4.872 4.640 0.000 0.000 0.218 302 D C 0.204 176.590 176.300 0.144 0.000 1.112 302 D CA -0.489 53.561 54.000 0.084 0.000 0.834 302 D CB -0.249 40.563 40.800 0.019 0.000 0.953 302 D HN 0.470 nan 8.370 nan 0.000 0.505 303 I N 0.448 121.057 120.570 0.065 0.000 2.545 303 I HA 0.222 4.392 4.170 0.000 0.000 0.292 303 I C 0.627 176.693 176.117 -0.085 0.000 1.040 303 I CA -0.876 60.388 61.300 -0.061 0.000 1.068 303 I CB 2.144 40.040 38.000 -0.173 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.708 122.309 118.700 -0.165 0.000 2.197 304 N HA 0.012 4.752 4.740 0.000 0.000 0.184 304 N C -0.589 174.921 175.510 0.000 0.000 1.030 304 N CA 1.387 54.383 53.050 -0.089 0.000 0.851 304 N CB 0.275 38.668 38.487 -0.157 0.000 1.003 304 N HN 0.630 nan 8.380 nan 0.000 0.430 305 Y N -1.921 118.295 120.300 -0.138 0.000 2.713 305 Y HA 0.634 5.184 4.550 0.000 0.000 0.335 305 Y C -1.762 173.954 175.900 -0.306 0.000 1.222 305 Y CA -1.430 56.570 58.100 -0.167 0.000 1.061 305 Y CB 0.485 38.889 38.460 -0.093 0.000 1.314 305 Y HN -0.275 nan 8.280 nan 0.000 0.453 306 L N 1.701 122.833 121.223 -0.152 0.000 2.333 306 L HA 0.929 5.269 4.340 0.000 0.000 0.263 306 L C -0.094 176.628 176.870 -0.246 0.000 1.014 306 L CA -0.556 53.952 54.840 -0.554 0.000 0.820 306 L CB 2.200 43.422 42.059 -1.395 0.000 1.352 306 L HN 0.898 nan 8.230 nan 0.000 0.421 307 S N -0.169 115.300 115.700 -0.384 0.000 2.636 307 S HA 0.568 5.038 4.470 0.000 0.000 0.266 307 S C -2.096 172.388 174.600 -0.194 0.000 1.147 307 S CA -0.634 57.537 58.200 -0.048 0.000 0.815 307 S CB 1.541 64.750 63.200 0.016 0.000 1.119 307 S HN 0.579 nan 8.310 nan 0.000 0.470 308 Q N 1.157 120.958 119.800 0.002 0.000 2.321 308 Q HA 0.540 4.880 4.340 0.000 0.000 0.270 308 Q C -0.996 175.019 176.000 0.024 0.000 1.032 308 Q CA -0.596 55.235 55.803 0.046 0.000 0.784 308 Q CB 2.336 31.155 28.738 0.136 0.000 1.264 308 Q HN 0.557 nan 8.270 nan 0.000 0.448 309 R N 1.250 121.770 120.500 0.033 0.000 2.686 309 R HA 0.571 4.911 4.340 0.000 0.000 0.283 309 R C -1.292 175.018 176.300 0.017 0.000 0.978 309 R CA -0.305 55.799 56.100 0.008 0.000 0.897 309 R CB 1.959 32.257 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.252 116.801 114.554 -0.009 0.000 2.794 310 T HA 0.421 4.771 4.350 0.000 0.000 0.280 310 T C -0.288 174.410 174.700 -0.004 0.000 0.987 310 T CA -0.455 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.521 70.372 68.868 -0.028 0.000 0.939 310 T HN 0.696 nan 8.240 nan 0.000 0.449 311 A N 2.982 125.804 122.820 0.004 0.000 2.545 311 A HA 0.474 4.794 4.320 0.000 0.000 0.253 311 A C 1.331 178.912 177.584 -0.004 0.000 1.074 311 A CA 0.564 52.599 52.037 -0.003 0.000 0.760 311 A CB -1.630 17.368 19.000 -0.003 0.000 1.005 311 A HN 1.836 nan 8.150 nan 0.000 0.506 312 N N -1.079 117.615 118.700 -0.009 0.000 2.818 312 N HA 0.107 4.847 4.740 0.000 0.000 0.250 312 N C 0.440 175.942 175.510 -0.013 0.000 1.108 312 N CA 2.241 55.286 53.050 -0.009 0.000 0.745 312 N CB -2.248 36.237 38.487 -0.004 0.000 1.104 312 N HN 2.377 nan 8.380 nan 0.000 0.557 313 F N -1.646 118.290 119.950 -0.023 0.000 3.087 313 F HA 0.803 5.330 4.527 0.000 0.000 0.371 313 F C 1.466 177.237 175.800 -0.049 0.000 1.144 313 F CA 1.325 59.302 58.000 -0.038 0.000 1.030 313 F CB -0.438 38.531 39.000 -0.051 0.000 1.366 313 F HN 1.794 nan 8.300 nan 0.000 0.522 314 S N 0.105 115.782 115.700 -0.038 0.000 3.307 314 S HA -0.183 4.287 4.470 0.000 0.000 0.634 314 S C -0.548 174.024 174.600 -0.046 0.000 2.711 314 S CA 0.837 59.012 58.200 -0.041 0.000 2.940 314 S CB -1.277 61.896 63.200 -0.046 0.000 0.331 314 S HN 0.780 nan 8.310 nan 0.000 1.766 315 D N 1.310 121.679 120.400 -0.051 0.000 2.308 315 D HA 0.330 4.970 4.640 0.000 0.000 0.251 315 D C 1.217 177.485 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.595 54.000 -0.048 0.000 0.876 315 D CB 1.252 42.014 40.800 -0.064 0.000 1.176 315 D HN 0.710 nan 8.370 nan 0.000 0.446 316 T N -0.711 113.817 114.554 -0.043 0.000 3.044 316 T HA 0.035 4.385 4.350 0.000 0.000 0.250 316 T C 0.945 175.626 174.700 -0.033 0.000 1.081 316 T CA -0.259 61.809 62.100 -0.053 0.000 1.040 316 T CB 0.179 69.004 68.868 -0.071 0.000 0.962 316 T HN 0.602 nan 8.240 nan 0.000 0.506 317 R N 0.295 120.794 120.500 -0.002 0.000 2.747 317 R HA 0.305 4.645 4.340 0.000 0.000 0.200 317 R C -0.913 175.453 176.300 0.109 0.000 1.438 317 R CA -0.657 55.459 56.100 0.027 0.000 1.334 317 R CB -0.335 29.960 30.300 -0.009 0.000 1.523 317 R HN 0.087 nan 8.270 nan 0.000 0.741 318 K N 2.949 123.367 120.400 0.030 0.000 2.310 318 K HA 0.319 4.639 4.320 0.000 0.000 0.290 318 K C -0.971 175.648 176.600 0.032 0.000 1.077 318 K CA -0.160 56.123 56.287 -0.008 0.000 0.922 318 K CB 0.522 32.904 32.500 -0.196 0.000 1.057 318 K HN 0.451 nan 8.250 nan 0.000 0.479 319 L N 3.358 124.688 121.223 0.178 0.000 2.388 319 L HA 0.330 4.670 4.340 0.000 0.000 0.264 319 L C -0.441 176.562 176.870 0.221 0.000 0.998 319 L CA -1.364 53.600 54.840 0.208 0.000 0.817 319 L CB 2.064 44.321 42.059 0.329 0.000 1.338 319 L HN 0.755 nan 8.230 nan 0.000 0.414 320 D N 0.591 121.093 120.400 0.171 0.000 2.368 320 D HA 0.130 4.770 4.640 0.000 0.000 0.240 320 D C -2.114 174.300 176.300 0.190 0.000 1.169 320 D CA -1.139 52.956 54.000 0.158 0.000 0.906 320 D CB 0.629 41.501 40.800 0.120 0.000 1.187 320 D HN 0.193 nan 8.370 nan 0.000 0.435 321 P HA -0.218 nan 4.420 nan 0.000 0.216 321 P C 1.168 178.644 177.300 0.293 0.000 1.153 321 P CA 1.517 64.726 63.100 0.182 0.000 0.858 321 P CB 0.076 31.852 31.700 0.127 0.000 0.789 322 K N -0.944 119.586 120.400 0.218 0.000 2.097 322 K HA -0.090 4.230 4.320 0.000 0.000 0.205 322 K C 1.741 178.466 176.600 0.208 0.000 1.050 322 K CA 1.651 58.059 56.287 0.200 0.000 0.938 322 K CB -0.430 32.154 32.500 0.139 0.000 0.718 322 K HN 0.057 nan 8.250 nan 0.000 0.442 323 T N 0.457 115.131 114.554 0.201 0.000 2.904 323 T HA -0.147 4.203 4.350 0.000 0.000 0.267 323 T C 1.144 175.977 174.700 0.222 0.000 1.059 323 T CA 0.817 63.020 62.100 0.172 0.000 1.137 323 T CB -0.206 68.743 68.868 0.136 0.000 0.879 323 T HN 0.445 nan 8.240 nan 0.000 0.467 324 W N 2.177 123.548 121.300 0.119 0.000 2.358 324 W HA -0.074 4.586 4.660 0.000 0.000 0.303 324 W C 2.448 179.087 176.519 0.200 0.000 1.208 324 W CA 1.249 58.685 57.345 0.153 0.000 1.274 324 W CB -0.570 28.990 29.460 0.167 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.879 123.992 122.820 0.489 0.000 1.972 325 A HA -0.062 4.258 4.320 0.000 0.000 0.219 325 A C 2.179 179.882 177.584 0.200 0.000 1.169 325 A CA 2.493 54.750 52.037 0.366 0.000 0.635 325 A CB -1.198 17.992 19.000 0.318 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.838 122.073 122.820 0.152 0.000 1.902 326 A HA -0.198 4.122 4.320 0.000 0.000 0.217 326 A C 2.115 179.731 177.584 0.054 0.000 1.181 326 A CA 1.605 53.694 52.037 0.088 0.000 0.623 326 A CB -0.479 18.565 19.000 0.073 0.000 0.818 326 A HN 0.533 nan 8.150 nan 0.000 0.443 327 Q N -0.632 119.178 119.800 0.016 0.000 2.124 327 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 327 Q C 2.145 178.162 176.000 0.028 0.000 0.977 327 Q CA 1.994 57.776 55.803 -0.034 0.000 0.850 327 Q CB -0.915 27.719 28.738 -0.174 0.000 0.901 327 Q HN 0.654 nan 8.270 nan 0.000 0.429 328 T N 1.009 115.616 114.554 0.089 0.000 2.821 328 T HA -0.072 4.278 4.350 0.000 0.000 0.267 328 T C 1.805 176.568 174.700 0.105 0.000 1.046 328 T CA 0.740 62.966 62.100 0.210 0.000 1.139 328 T CB -0.061 69.026 68.868 0.365 0.000 0.871 328 T HN 0.255 nan 8.240 nan 0.000 0.454 329 R N 0.729 121.270 120.500 0.068 0.000 2.159 329 R HA 0.018 4.358 4.340 0.000 0.000 0.237 329 R C 2.455 178.760 176.300 0.008 0.000 1.131 329 R CA 0.783 56.894 56.100 0.018 0.000 0.982 329 R CB -0.081 30.235 30.300 0.025 0.000 0.868 329 R HN 0.232 nan 8.270 nan 0.000 0.453 330 R N 0.173 120.689 120.500 0.026 0.000 2.189 330 R HA 0.007 4.347 4.340 0.000 0.000 0.218 330 R C 1.871 178.188 176.300 0.027 0.000 1.074 330 R CA 0.751 56.863 56.100 0.020 0.000 0.991 330 R CB 0.011 30.325 30.300 0.023 0.000 0.883 330 R HN 0.171 nan 8.270 nan 0.000 0.457 331 R N 0.430 120.959 120.500 0.049 0.000 2.146 331 R HA 0.150 4.490 4.340 0.000 0.000 0.206 331 R C 2.033 178.320 176.300 -0.022 0.000 1.049 331 R CA 0.771 56.908 56.100 0.062 0.000 1.029 331 R CB 0.018 30.435 30.300 0.195 0.000 0.949 331 R HN 0.319 nan 8.270 nan 0.000 0.471 332 I N -3.946 116.569 120.570 -0.092 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.478 176.501 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.284 61.300 -0.182 0.000 1.124 332 I CB 0.883 38.639 38.000 -0.407 0.000 1.129 332 I HN -0.037 nan 8.210 nan 0.000 0.428 333 A N 0.250 123.013 122.820 -0.096 0.000 2.861 333 A HA -0.215 4.105 4.320 0.000 0.000 0.261 333 A C 0.640 178.174 177.584 -0.082 0.000 1.351 333 A CA 1.680 53.673 52.037 -0.074 0.000 0.904 333 A CB -2.302 16.657 19.000 -0.067 0.000 1.076 333 A HN 0.814 nan 8.150 nan 0.000 0.729 334 T N -1.863 112.623 114.554 -0.113 0.000 2.654 334 T HA 0.491 4.841 4.350 0.000 0.000 0.303 334 T C -2.141 172.477 174.700 -0.136 0.000 1.656 334 T CA 0.130 62.166 62.100 -0.106 0.000 0.971 334 T CB 0.918 69.715 68.868 -0.118 0.000 1.811 334 T HN 0.286 nan 8.240 nan 0.000 0.483 335 D N 0.622 120.961 120.400 -0.101 0.000 2.181 335 D HA 0.530 5.170 4.640 0.000 0.000 0.248 335 D C -0.251 175.960 176.300 -0.148 0.000 1.020 335 D CA -0.114 53.847 54.000 -0.064 0.000 0.891 335 D CB 0.764 41.576 40.800 0.020 0.000 1.187 335 D HN 0.288 nan 8.370 nan 0.000 0.443 336 F N 0.727 120.609 119.950 -0.115 0.000 2.435 336 F HA 0.226 4.753 4.527 0.000 0.000 0.316 336 F C -1.333 174.360 175.800 -0.179 0.000 1.220 336 F CA -1.319 56.535 58.000 -0.243 0.000 1.241 336 F CB -0.216 38.534 39.000 -0.417 0.000 1.234 336 F HN 0.084 nan 8.300 nan 0.000 0.569 337 P HA 0.003 nan 4.420 nan 0.000 0.271 337 P C -1.112 176.214 177.300 0.044 0.000 1.238 337 P CA -0.292 62.865 63.100 0.096 0.000 0.794 337 P CB 0.312 32.163 31.700 0.252 0.000 0.959 338 K N 1.016 121.451 120.400 0.058 0.000 2.511 338 K HA 0.148 4.468 4.320 0.000 0.000 0.280 338 K C 1.270 177.928 176.600 0.097 0.000 1.008 338 K CA 1.234 57.557 56.287 0.060 0.000 1.050 338 K CB -0.732 31.824 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.194 110.002 108.800 0.015 0.000 2.179 339 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 339 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 339 G C 0.009 174.861 174.900 -0.079 0.000 0.977 339 G CA 0.041 45.215 45.100 0.123 0.000 0.641 339 G HN 0.427 nan 8.290 nan 0.000 0.533 340 V N 1.063 120.760 119.914 -0.362 0.000 2.350 340 V HA 0.642 4.762 4.120 0.000 0.000 0.276 340 V C -0.320 175.416 176.094 -0.597 0.000 1.028 340 V CA -0.802 61.293 62.300 -0.341 0.000 0.860 340 V CB 0.795 32.396 31.823 -0.371 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.303 124.653 120.300 0.084 0.000 2.364 341 Y HA 0.610 5.160 4.550 0.000 0.000 0.340 341 Y C -0.469 175.625 175.900 0.325 0.000 0.975 341 Y CA -0.827 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.693 40.244 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.394 122.991 120.300 0.496 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.136 175.052 175.900 0.481 0.000 1.021 342 Y CA -1.803 56.488 58.100 0.319 0.000 1.079 342 Y CB 1.699 40.263 38.460 0.173 0.000 1.226 342 Y HN 0.804 nan 8.280 nan 0.000 0.460 343 C N 6.568 125.602 119.300 -0.443 0.000 2.516 343 C HA 0.373 4.833 4.460 0.000 0.000 0.338 343 C C -1.380 173.205 174.990 -0.675 0.000 1.132 343 C CA -0.690 58.119 59.018 -0.347 0.000 1.310 343 C CB 0.006 27.932 27.740 0.310 0.000 1.898 343 C HN 0.890 nan 8.230 nan 0.000 0.452 344 D N 3.957 124.044 120.400 -0.522 0.000 2.274 344 D HA 0.326 4.966 4.640 0.000 0.000 0.239 344 D C 0.039 176.304 176.300 -0.058 0.000 1.104 344 D CA 0.232 54.102 54.000 -0.217 0.000 0.840 344 D CB 0.803 41.615 40.800 0.021 0.000 1.100 344 D HN 0.711 nan 8.370 nan 0.000 0.477 345 N N 3.381 122.093 118.700 0.019 0.000 2.451 345 N HA 0.099 4.839 4.740 0.000 0.000 0.271 345 N C 1.067 176.616 175.510 0.065 0.000 1.410 345 N CA -0.149 52.929 53.050 0.046 0.000 0.884 345 N CB 0.710 39.236 38.487 0.066 0.000 1.332 345 N HN 0.361 nan 8.380 nan 0.000 0.498 346 R N 0.480 121.026 120.500 0.076 0.000 2.081 346 R HA -0.041 4.299 4.340 0.000 0.000 0.235 346 R C 0.762 177.088 176.300 0.043 0.000 1.131 346 R CA 1.133 57.274 56.100 0.068 0.000 0.960 346 R CB 0.090 30.465 30.300 0.124 0.000 0.856 346 R HN 0.111 nan 8.270 nan 0.000 0.436 347 D N 0.426 120.856 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 0.000 0.000 0.205 347 D C 0.191 176.518 176.300 0.045 0.000 0.965 347 D CA 1.261 55.286 54.000 0.042 0.000 0.852 347 D CB 0.234 41.058 40.800 0.041 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.794 121.228 120.400 0.056 0.000 2.814 348 K HA 0.288 4.608 4.320 0.000 0.000 0.205 348 K C -2.769 173.886 176.600 0.091 0.000 1.093 348 K CA -1.437 54.897 56.287 0.078 0.000 1.035 348 K CB 2.535 35.092 32.500 0.094 0.000 1.220 348 K HN -0.134 nan 8.250 nan 0.000 0.576 349 P HA -0.026 nan 4.420 nan 0.000 0.266 349 P C -0.090 177.308 177.300 0.163 0.000 1.195 349 P CA -0.203 62.965 63.100 0.114 0.000 0.768 349 P CB 0.450 32.205 31.700 0.090 0.000 0.838 350 I N 3.827 124.481 120.570 0.140 0.000 2.587 350 I HA -0.018 4.152 4.170 0.000 0.000 0.284 350 I C -0.026 176.267 176.117 0.293 0.000 1.134 350 I CA 0.400 61.742 61.300 0.070 0.000 1.410 350 I CB -1.180 36.603 38.000 -0.362 0.000 1.392 350 I HN 0.422 nan 8.210 nan 0.000 0.545 351 Y N 5.950 126.308 120.300 0.097 0.000 2.317 351 Y HA 0.125 4.675 4.550 0.000 0.000 0.329 351 Y C 1.256 177.192 175.900 0.060 0.000 1.101 351 Y CA -0.960 57.201 58.100 0.102 0.000 1.228 351 Y CB 1.241 39.742 38.460 0.067 0.000 1.123 351 Y HN 0.737 nan 8.280 nan 0.000 0.457 352 T N -0.073 114.362 114.554 -0.199 0.000 2.778 352 T HA -0.234 4.116 4.350 0.000 0.000 0.269 352 T C 1.776 176.269 174.700 -0.345 0.000 1.050 352 T CA 1.864 63.840 62.100 -0.206 0.000 1.137 352 T CB -0.765 68.019 68.868 -0.139 0.000 0.860 352 T HN 0.708 nan 8.240 nan 0.000 0.468 353 L N 0.356 121.135 121.223 -0.741 0.000 2.713 353 L HA 0.490 4.830 4.340 0.000 0.000 0.245 353 L C 2.206 178.870 176.870 -0.343 0.000 1.169 353 L CA 1.344 55.851 54.840 -0.555 0.000 0.962 353 L CB -1.692 39.967 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.338 117.286 119.800 -0.293 0.000 2.519 354 Q HA 0.115 4.455 4.340 0.000 0.000 0.248 354 Q C 0.079 175.801 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.859 55.803 -0.314 0.000 0.979 354 Q CB 0.970 29.567 28.738 -0.234 0.000 1.282 354 Q HN 0.662 nan 8.270 nan 0.000 0.558 355 Y N 0.265 120.549 120.300 -0.026 0.000 2.712 355 Y HA 0.438 4.988 4.550 0.000 0.000 0.250 355 Y C 0.498 176.376 175.900 -0.036 0.000 1.101 355 Y CA 0.022 58.110 58.100 -0.020 0.000 1.118 355 Y CB 1.213 39.670 38.460 -0.005 0.000 1.203 355 Y HN 0.334 nan 8.280 nan 0.000 0.587 356 G N 1.191 110.020 108.800 0.049 0.000 2.726 356 G HA2 -0.337 3.623 3.960 0.000 0.000 0.261 356 G HA3 -0.337 3.623 3.960 0.000 0.000 0.261 356 G C -0.046 174.864 174.900 0.018 0.000 1.352 356 G CA -0.289 44.818 45.100 0.012 0.000 0.906 356 G HN 0.554 nan 8.290 nan 0.000 0.566 357 N N -0.486 118.217 118.700 0.005 0.000 2.256 357 N HA 0.206 4.946 4.740 0.000 0.000 0.277 357 N C -0.043 175.491 175.510 0.039 0.000 1.362 357 N CA 0.140 53.198 53.050 0.013 0.000 0.861 357 N CB 0.384 38.870 38.487 -0.001 0.000 1.136 357 N HN 0.509 nan 8.380 nan 0.000 0.492 358 V N 1.206 121.164 119.914 0.073 0.000 2.628 358 V HA 0.740 4.860 4.120 0.000 0.000 0.306 358 V C 0.715 176.969 176.094 0.266 0.000 1.045 358 V CA -0.752 61.618 62.300 0.116 0.000 0.905 358 V CB 1.930 33.774 31.823 0.035 0.000 0.997 358 V HN 0.734 nan 8.190 nan 0.000 0.436 359 G N 1.807 110.752 108.800 0.241 0.000 2.574 359 G HA2 0.662 4.622 3.960 0.000 0.000 0.299 359 G HA3 0.662 4.622 3.960 0.000 0.000 0.299 359 G C -1.854 173.212 174.900 0.276 0.000 1.298 359 G CA -0.611 44.616 45.100 0.212 0.000 0.952 359 G HN 0.476 nan 8.290 nan 0.000 0.477 360 F N 1.773 121.741 119.950 0.031 0.000 2.408 360 F HA 0.645 5.172 4.527 0.000 0.000 0.344 360 F C -0.261 175.521 175.800 -0.029 0.000 1.112 360 F CA -0.513 57.527 58.000 0.066 0.000 1.096 360 F CB 1.706 40.684 39.000 -0.035 0.000 1.129 360 F HN 0.274 nan 8.300 nan 0.000 0.486 361 V N 6.498 126.099 119.914 -0.522 0.000 2.555 361 V HA 0.584 4.704 4.120 0.000 0.000 0.302 361 V C -0.861 174.989 176.094 -0.407 0.000 1.038 361 V CA -0.876 61.239 62.300 -0.308 0.000 0.887 361 V CB 1.653 33.378 31.823 -0.163 0.000 0.991 361 V HN 0.565 nan 8.190 nan 0.000 0.434 362 V N 3.945 123.728 119.914 -0.219 0.000 2.482 362 V HA 0.439 4.559 4.120 0.000 0.000 0.295 362 V C -0.365 175.513 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.331 0.000 0.856 362 V CB 1.931 33.584 31.823 -0.284 0.000 1.001 362 V HN 0.893 nan 8.190 nan 0.000 0.424 363 N N 7.146 125.487 118.700 -0.598 0.000 2.546 363 N HA 0.366 5.106 4.740 0.000 0.000 0.238 363 N C -2.721 172.494 175.510 -0.491 0.000 0.984 363 N CA -1.612 51.071 53.050 -0.612 0.000 0.935 363 N CB 2.465 40.271 38.487 -1.135 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.147 nan 4.420 nan 0.000 0.279 364 P C 0.131 177.359 177.300 -0.121 0.000 1.239 364 P CA -0.179 62.782 63.100 -0.231 0.000 0.789 364 P CB 2.069 33.628 31.700 -0.235 0.000 0.933 365 K N 1.470 121.844 120.400 -0.044 0.000 2.202 365 K HA 0.092 4.412 4.320 0.000 0.000 0.201 365 K C -0.008 176.592 176.600 -0.001 0.000 1.051 365 K CA 0.912 57.184 56.287 -0.025 0.000 0.977 365 K CB 0.311 32.807 32.500 -0.008 0.000 0.792 365 K HN 0.416 nan 8.250 nan 0.000 0.469 366 T N 0.915 115.490 114.554 0.035 0.000 2.881 366 T HA 0.415 4.765 4.350 0.000 0.000 0.290 366 T C -1.458 173.275 174.700 0.054 0.000 1.000 366 T CA -0.682 61.429 62.100 0.018 0.000 0.978 366 T CB 2.220 71.080 68.868 -0.013 0.000 0.997 366 T HN -0.181 nan 8.240 nan 0.000 0.443 367 V N 4.592 124.517 119.914 0.017 0.000 2.409 367 V HA 0.422 4.542 4.120 0.000 0.000 0.290 367 V C -0.225 175.846 176.094 -0.038 0.000 1.017 367 V CA -1.114 61.202 62.300 0.027 0.000 0.841 367 V CB 1.481 33.313 31.823 0.016 0.000 1.003 367 V HN 0.764 nan 8.190 nan 0.000 0.426 368 N N 2.370 121.017 118.700 -0.088 0.000 2.413 368 N HA 0.248 4.988 4.740 0.000 0.000 0.266 368 N C -0.013 175.450 175.510 -0.078 0.000 1.238 368 N CA -0.513 52.478 53.050 -0.098 0.000 0.972 368 N CB 0.734 39.132 38.487 -0.149 0.000 1.210 368 N HN 0.771 nan 8.380 nan 0.000 0.547 369 Q N 0.526 120.285 119.800 -0.067 0.000 2.364 369 Q HA 0.009 4.349 4.340 0.000 0.000 0.267 369 Q C -0.495 175.470 176.000 -0.058 0.000 0.999 369 Q CA 0.076 55.848 55.803 -0.051 0.000 0.886 369 Q CB 0.200 28.914 28.738 -0.039 0.000 1.243 369 Q HN 0.438 nan 8.270 nan 0.000 0.415 370 N N 0.221 118.895 118.700 -0.043 0.000 2.776 370 N HA -0.187 4.553 4.740 0.000 0.000 0.249 370 N C -1.237 174.243 175.510 -0.051 0.000 1.111 370 N CA 0.942 53.970 53.050 -0.037 0.000 0.711 370 N CB -1.671 36.796 38.487 -0.032 0.000 1.065 370 N HN 0.632 nan 8.380 nan 0.000 0.556 371 A N 0.804 123.592 122.820 -0.054 0.000 2.371 371 A HA 0.673 4.993 4.320 0.000 0.000 0.257 371 A C 0.879 178.453 177.584 -0.016 0.000 1.089 371 A CA 0.217 52.235 52.037 -0.032 0.000 0.794 371 A CB 0.629 19.646 19.000 0.029 0.000 1.029 371 A HN 0.472 nan 8.150 nan 0.000 0.488 372 R N 0.654 121.178 120.500 0.040 0.000 2.728 372 R HA 0.595 4.935 4.340 0.000 0.000 0.274 372 R C -2.135 174.222 176.300 0.095 0.000 1.032 372 R CA -0.934 55.173 56.100 0.012 0.000 0.866 372 R CB 0.812 31.140 30.300 0.047 0.000 1.263 372 R HN 0.452 nan 8.270 nan 0.000 0.475 373 L N 2.462 123.725 121.223 0.067 0.000 2.296 373 L HA 0.490 4.830 4.340 0.000 0.000 0.286 373 L C -0.691 176.275 176.870 0.160 0.000 1.023 373 L CA -1.053 53.861 54.840 0.123 0.000 0.812 373 L CB 1.675 43.806 42.059 0.119 0.000 1.223 373 L HN 0.442 nan 8.230 nan 0.000 0.421 374 L N 4.728 126.074 121.223 0.204 0.000 2.262 374 L HA 0.430 4.770 4.340 0.000 0.000 0.288 374 L C -0.125 176.845 176.870 0.166 0.000 1.035 374 L CA -0.285 54.708 54.840 0.256 0.000 0.820 374 L CB 1.153 43.485 42.059 0.454 0.000 1.204 374 L HN 0.484 nan 8.230 nan 0.000 0.424 375 M N 2.439 122.037 119.600 -0.004 0.000 2.367 375 M HA 0.545 5.025 4.480 0.000 0.000 0.339 375 M C 0.360 176.366 176.300 -0.490 0.000 1.177 375 M CA -0.386 54.731 55.300 -0.305 0.000 1.068 375 M CB 1.460 33.834 32.600 -0.378 0.000 1.602 375 M HN 0.568 nan 8.290 nan 0.000 0.457 376 G N 2.525 110.854 108.800 -0.785 0.000 2.643 376 G HA2 0.689 4.649 3.960 0.000 0.000 0.305 376 G HA3 0.689 4.649 3.960 0.000 0.000 0.305 376 G C -2.019 172.418 174.900 -0.771 0.000 1.387 376 G CA -0.257 44.163 45.100 -1.133 0.000 0.982 376 G HN 0.555 nan 8.290 nan 0.000 0.501 377 Y N 0.167 120.474 120.300 0.012 0.000 2.499 377 Y HA 0.581 5.131 4.550 0.000 0.000 0.347 377 Y C 0.277 176.419 175.900 0.404 0.000 0.987 377 Y CA -0.954 57.363 58.100 0.361 0.000 1.044 377 Y CB 2.710 41.507 38.460 0.561 0.000 1.245 377 Y HN 0.454 nan 8.280 nan 0.000 0.461 378 E N 2.444 122.967 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 0.000 0.000 0.267 378 E C -1.772 174.985 176.600 0.262 0.000 0.893 378 E CA -0.708 55.848 56.400 0.260 0.000 0.761 378 E CB 1.497 31.382 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.292 121.589 120.300 -0.005 0.000 2.670 379 Y HA 0.626 5.176 4.550 0.000 0.000 0.334 379 Y C -1.844 173.999 175.900 -0.096 0.000 1.185 379 Y CA -1.446 56.559 58.100 -0.157 0.000 1.053 379 Y CB 0.731 38.953 38.460 -0.396 0.000 1.298 379 Y HN 0.186 nan 8.280 nan 0.000 0.459 380 F N 0.632 120.684 119.950 0.171 0.000 2.522 380 F HA 0.810 5.337 4.527 0.000 0.000 0.324 380 F C 0.180 176.029 175.800 0.083 0.000 1.077 380 F CA -0.886 57.161 58.000 0.077 0.000 0.944 380 F CB 2.198 41.196 39.000 -0.003 0.000 1.175 380 F HN 0.760 nan 8.300 nan 0.000 0.468 381 T N 0.768 115.461 114.554 0.232 0.000 2.886 381 T HA 0.408 4.758 4.350 0.000 0.000 0.330 381 T C -1.068 173.672 174.700 0.067 0.000 1.488 381 T CA -0.528 61.651 62.100 0.132 0.000 1.054 381 T CB 1.008 69.904 68.868 0.046 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.255 117.996 115.700 0.067 0.000 2.564 382 S HA 0.242 4.712 4.470 0.000 0.000 0.278 382 S C 1.481 176.098 174.600 0.030 0.000 1.333 382 S CA -0.571 57.648 58.200 0.031 0.000 1.048 382 S CB 0.932 64.154 63.200 0.037 0.000 0.900 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 1.137 121.642 120.500 0.008 0.000 2.115 383 R HA -0.028 4.312 4.340 0.000 0.000 0.230 383 R C 1.302 177.615 176.300 0.023 0.000 1.111 383 R CA 1.454 57.557 56.100 0.005 0.000 0.976 383 R CB -0.454 29.850 30.300 0.006 0.000 0.870 383 R HN 0.833 nan 8.270 nan 0.000 0.445 384 T N 0.000 114.570 114.554 0.026 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.118 62.100 0.029 0.000 1.349 384 T CB 0.000 68.881 68.868 0.022 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658