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_A 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 -0.604 119.894 120.500 -0.003 0.000 3.520 16 R HA -0.191 4.149 4.340 -0.000 0.000 0.595 16 R C 1.240 177.536 176.300 -0.006 0.000 0.241 16 R CA 2.649 58.747 56.100 -0.004 0.000 1.835 16 R CB -2.428 27.871 30.300 -0.003 0.000 0.891 16 R HN 2.906 nan 8.270 nan 0.000 0.612 17 N N -2.120 116.575 118.700 -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 -1.336 37.143 38.487 -0.012 0.000 0.810 17 N HN 1.040 nan 8.380 nan 0.000 0.245 18 Q N 1.626 121.419 119.800 -0.012 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 2.903 58.699 55.803 -0.012 0.000 0.867 18 Q CB -0.251 28.482 28.738 -0.008 0.000 0.911 18 Q HN 0.788 nan 8.270 nan 0.000 0.417 19 Q N -1.721 118.074 119.800 -0.009 0.000 2.212 19 Q HA 0.084 4.424 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 0.937 56.735 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 0.340 nan 8.270 nan 0.000 0.465 20 A N 1.832 124.645 122.820 -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 1.553 53.582 52.037 -0.013 0.000 0.620 20 A CB -0.528 18.463 19.000 -0.014 0.000 0.822 20 A HN 0.355 nan 8.150 nan 0.000 0.443 21 M N -0.620 118.966 119.600 -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 32.161 32.600 -0.035 0.000 1.365 21 M HN 0.470 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 2.360 179.937 177.584 -0.012 0.000 1.175 22 A CA 1.972 54.000 52.037 -0.014 0.000 0.628 22 A CB -0.849 18.144 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.135 122.949 122.820 -0.011 0.000 1.897 23 A HA -0.159 4.161 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 1.907 53.941 52.037 -0.006 0.000 0.620 23 A CB -0.737 18.261 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.190 118.881 118.700 -0.015 0.000 2.043 24 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 24 N C 1.584 177.082 175.510 -0.019 0.000 1.037 24 N CA 1.929 54.968 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 -0.074 121.136 121.223 -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 1.185 56.013 54.840 -0.020 0.000 0.748 25 L CB -0.716 41.330 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.208 120.004 119.800 -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 2.060 57.862 55.803 -0.003 0.000 0.844 26 Q CB -0.208 28.528 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 -0.193 4.127 4.320 -0.000 0.000 0.217 27 A C 2.194 179.787 177.584 0.014 0.000 1.181 27 A CA 1.572 53.616 52.037 0.012 0.000 0.623 27 A CB -0.599 18.411 19.000 0.016 0.000 0.818 27 A HN 0.371 nan 8.150 nan 0.000 0.443 28 R N -0.325 120.178 120.500 0.005 0.000 2.083 28 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 28 R C 2.316 178.620 176.300 0.006 0.000 1.137 28 R CA 2.026 58.129 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 0.114 119.915 119.800 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 1.863 57.666 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 2.193 178.322 176.117 0.020 0.000 1.100 30 I CA 0.782 62.090 61.300 0.013 0.000 1.374 30 I CB -0.272 37.736 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 1.786 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 2.019 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 -0.619 119.181 119.800 0.001 0.000 2.083 33 Q HA -0.190 4.150 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 1.128 56.933 55.803 0.004 0.000 0.838 33 Q CB 0.220 28.961 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 56.534 55.803 0.042 0.000 0.885 34 Q CB 0.481 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 0.774 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 -0.062 0.000 0.965 36 Y CA -2.252 55.835 58.100 -0.021 0.000 1.091 36 Y CB 2.049 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 0.096 63.000 63.100 -0.327 0.000 0.776 37 P CB 1.954 33.443 31.700 -0.352 0.000 0.888 38 V N 4.844 124.551 119.914 -0.344 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 -0.765 61.327 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 0.611 4.781 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 1.471 39.513 38.000 0.070 0.000 1.264 39 I HN 0.828 nan 8.210 nan 0.000 0.438 40 Q N 6.572 126.579 119.800 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 2.224 31.184 28.738 0.371 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.101 122.058 119.800 0.261 0.000 2.311 41 Q HA 0.159 4.499 4.340 -0.000 0.000 0.272 41 Q C 0.163 176.175 176.000 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 29.562 28.738 -0.212 0.000 1.201 41 Q HN 0.646 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 -0.699 119.496 120.200 -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 56.255 56.400 -0.010 0.000 0.816 43 E CB 2.256 32.005 29.700 0.081 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.386 116.827 114.554 -0.189 0.000 2.912 44 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 44 T C -1.738 172.664 174.700 -0.498 0.000 1.052 44 T CA -0.318 61.574 62.100 -0.348 0.000 0.996 44 T CB 1.665 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 1.917 121.227 119.800 -0.816 0.000 2.386 45 Q HA 0.577 4.917 4.340 -0.000 0.000 0.274 45 Q C -1.764 173.935 176.000 -0.502 0.000 1.011 45 Q CA -0.627 54.780 55.803 -0.660 0.000 0.867 45 Q CB 2.169 30.425 28.738 -0.804 0.000 1.409 45 Q HN 0.670 nan 8.270 nan 0.000 0.395 46 T N 3.495 117.913 114.554 -0.226 0.000 2.841 46 T HA 0.818 5.168 4.350 -0.000 0.000 0.283 46 T C -1.168 173.542 174.700 0.016 0.000 1.000 46 T CA -0.392 61.612 62.100 -0.161 0.000 0.977 46 T CB 0.523 69.302 68.868 -0.149 0.000 0.979 46 T HN 0.474 nan 8.240 nan 0.000 0.446 47 F N -0.581 119.270 119.950 -0.165 0.000 2.779 47 F HA 0.736 5.263 4.527 0.000 0.000 0.316 47 F C -1.818 173.963 175.800 -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 2.254 122.737 120.400 0.138 0.000 2.381 48 D HA 0.371 5.011 4.640 -0.000 0.000 0.235 48 D C -1.957 174.486 176.300 0.239 0.000 1.068 48 D CA -2.500 51.531 54.000 0.052 0.000 0.832 48 D CB 2.323 43.175 40.800 0.087 0.000 1.101 48 D HN 0.317 nan 8.370 nan 0.000 0.515 49 P HA -0.108 nan 4.420 nan 0.000 0.229 49 P C 0.945 178.373 177.300 0.213 0.000 1.150 49 P CA 0.459 63.719 63.100 0.268 0.000 0.765 49 P CB 0.268 31.999 31.700 0.052 0.000 0.783 50 A N 0.117 123.048 122.820 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 53.436 52.037 0.151 0.000 0.646 50 A CB -0.757 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 -0.473 118.310 118.700 0.139 0.000 2.439 51 N HA 0.067 4.807 4.740 -0.000 0.000 0.176 51 N C 0.448 176.000 175.510 0.069 0.000 1.029 51 N CA 0.873 53.984 53.050 0.102 0.000 0.886 51 N CB 0.170 38.725 38.487 0.113 0.000 1.057 51 N HN 0.748 nan 8.380 nan 0.000 0.437 52 R N -1.257 119.309 120.500 0.110 0.000 2.663 52 R HA 0.484 4.824 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 -0.564 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.945 31.113 30.300 -0.220 0.000 1.249 52 R HN -0.053 nan 8.270 nan 0.000 0.463 53 S N -0.693 114.919 115.700 -0.147 0.000 2.800 53 S HA 0.190 4.660 4.470 -0.000 0.000 0.266 53 S C -0.305 174.300 174.600 0.008 0.000 1.029 53 S CA -0.261 57.982 58.200 0.072 0.000 1.302 53 S CB 0.816 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 2.852 122.534 119.914 -0.387 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 -0.679 0.000 1.025 54 V CA -0.436 61.671 62.300 -0.321 0.000 0.859 54 V CB 1.013 32.694 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.135 122.009 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 -0.000 0.000 0.313 55 F C -0.086 175.630 175.800 -0.140 0.000 1.091 55 F CA -0.823 57.105 58.000 -0.119 0.000 0.915 55 F CB 1.971 40.919 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.671 123.101 120.400 0.049 0.000 2.441 56 D HA 0.361 5.001 4.640 -0.000 0.000 0.231 56 D C -1.162 175.140 176.300 0.005 0.000 1.073 56 D CA -0.094 53.892 54.000 -0.023 0.000 0.850 56 D CB 1.657 42.419 40.800 -0.063 0.000 1.062 56 D HN 0.219 nan 8.370 nan 0.000 0.524 57 V N 3.431 123.321 119.914 -0.040 0.000 2.546 57 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 57 V C 0.695 176.749 176.094 -0.067 0.000 1.050 57 V CA -0.238 62.043 62.300 -0.031 0.000 0.981 57 V CB 1.653 33.427 31.823 -0.082 0.000 0.990 57 V HN 0.529 nan 8.190 nan 0.000 0.474 58 T N 7.434 121.973 114.554 -0.025 0.000 2.853 58 T HA 0.363 4.713 4.350 -0.000 0.000 0.317 58 T C -2.169 172.536 174.700 0.008 0.000 1.059 58 T CA -0.794 61.291 62.100 -0.025 0.000 0.954 58 T CB 1.030 69.890 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 -0.654 176.699 177.300 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 0.072 0.000 2.354 60 A HA 0.229 4.549 4.320 -0.000 0.000 0.269 60 A C 0.310 177.864 177.584 -0.051 0.000 1.109 60 A CA -0.484 51.545 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 1.414 120.082 118.700 -0.052 0.000 2.719 61 N HA 0.322 5.062 4.740 -0.000 0.000 0.243 61 N C -1.164 174.282 175.510 -0.107 0.000 1.104 61 N CA 0.158 53.174 53.050 -0.056 0.000 0.981 61 N CB 1.118 39.587 38.487 -0.029 0.000 1.290 61 N HN 0.416 nan 8.380 nan 0.000 0.513 62 V N 0.512 120.309 119.914 -0.196 0.000 2.733 62 V HA 0.698 4.818 4.120 -0.000 0.000 0.306 62 V C 0.730 176.721 176.094 -0.173 0.000 1.084 62 V CA 0.231 62.394 62.300 -0.227 0.000 0.905 62 V CB 1.033 32.617 31.823 -0.398 0.000 1.010 62 V HN 0.786 nan 8.190 nan 0.000 0.424 63 G N 6.246 115.032 108.800 -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 -0.081 174.851 174.900 0.055 0.000 1.273 63 G CA 0.581 45.724 45.100 0.073 0.000 0.974 63 G HN 1.236 nan 8.290 nan 0.000 0.552 64 I N 0.746 121.384 120.570 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 -0.718 60.630 61.300 0.080 0.000 1.226 64 I CB 1.571 39.617 38.000 0.076 0.000 1.371 64 I HN 0.315 nan 8.210 nan 0.000 0.468 65 V N 7.688 127.624 119.914 0.036 0.000 2.461 65 V HA 0.182 4.302 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 -0.295 61.988 62.300 -0.028 0.000 0.955 65 V CB 1.090 32.847 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.945 123.297 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 -0.000 0.000 0.198 66 K C 0.814 177.330 176.600 -0.139 0.000 1.052 66 K CA 0.731 57.009 56.287 -0.015 0.000 0.984 66 K CB 0.755 33.332 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 -1.983 172.063 174.900 -1.422 0.000 1.300 67 G CA -0.995 43.453 45.100 -1.086 0.000 0.843 67 G HN -0.005 nan 8.290 nan 0.000 0.527 68 F N -0.489 118.871 119.950 -0.984 0.000 2.547 68 F HA 0.653 5.180 4.527 -0.000 0.000 0.316 68 F C -0.232 175.436 175.800 -0.221 0.000 1.121 68 F CA -0.806 56.961 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 4.513 125.994 121.223 0.431 0.000 2.265 69 L HA 0.709 5.049 4.340 -0.000 0.000 0.289 69 L C -1.058 176.153 176.870 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 5.655 125.868 119.914 0.499 0.000 2.347 70 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 70 V C 0.047 176.338 176.094 0.329 0.000 1.021 70 V CA -0.783 61.749 62.300 0.388 0.000 0.847 70 V CB 1.166 33.149 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.280 124.789 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 -0.000 0.000 0.274 71 K C -1.377 175.222 176.600 -0.002 0.000 1.009 71 K CA -0.388 55.748 56.287 -0.252 0.000 0.888 71 K CB 1.593 33.956 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.497 123.393 119.914 -0.030 0.000 2.531 72 V HA 0.355 4.475 4.120 -0.000 0.000 0.301 72 V C -0.417 175.706 176.094 0.047 0.000 1.034 72 V CA -0.847 61.535 62.300 0.136 0.000 0.865 72 V CB 1.675 33.704 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 -0.478 174.236 174.700 0.024 0.000 1.021 73 T CA -0.547 61.569 62.100 0.026 0.000 1.000 73 T CB 2.271 71.142 68.868 0.005 0.000 1.034 73 T HN 1.355 nan 8.240 nan 0.000 0.467 74 A N 0.859 123.728 122.820 0.082 0.000 2.594 74 A HA 0.909 5.229 4.320 -0.000 0.000 0.295 74 A C -0.953 176.722 177.584 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 1.648 nan 8.150 nan 0.000 0.405 75 A N 1.366 124.278 122.820 0.153 0.000 2.318 75 A HA 0.767 5.087 4.320 -0.000 0.000 0.317 75 A C -0.832 176.821 177.584 0.115 0.000 1.159 75 A CA -0.292 51.805 52.037 0.100 0.000 0.799 75 A CB 0.380 19.408 19.000 0.047 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.088 122.672 120.570 0.023 0.000 2.406 76 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 76 I C -0.257 175.767 176.117 -0.156 0.000 0.999 76 I CA -0.230 61.011 61.300 -0.099 0.000 1.124 76 I CB 2.411 40.329 38.000 -0.138 0.000 1.289 76 I HN 0.563 nan 8.210 nan 0.000 0.441 77 T N 4.429 118.875 114.554 -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 0.827 69.631 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 0.193 175.623 175.510 -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 38.562 38.487 -0.209 0.000 1.175 78 N HN 0.372 nan 8.380 nan 0.000 0.512 79 N N 1.528 120.152 118.700 -0.127 0.000 2.362 79 N HA -0.060 4.680 4.740 -0.000 0.000 0.204 79 N C -0.237 175.241 175.510 -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 38.249 38.487 -0.087 0.000 1.008 79 N HN 0.641 nan 8.380 nan 0.000 0.472 80 H N 0.031 119.034 119.070 -0.112 0.000 2.690 80 H HA 0.285 4.841 4.556 -0.000 0.000 0.365 80 H C 1.204 176.493 175.328 -0.065 0.000 1.142 80 H CA 0.215 56.213 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 -0.335 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 -0.428 18.451 19.000 -0.202 0.000 0.821 81 A HN 0.856 nan 8.150 nan 0.000 0.443 82 T N -4.770 109.941 114.554 0.262 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 0.135 0.000 0.920 82 T CA -0.294 61.914 62.100 0.179 0.000 0.874 82 T CB 0.210 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 1.586 121.859 120.200 0.120 0.000 2.204 83 E HA 0.759 5.109 4.350 -0.000 0.000 0.276 83 E C -0.298 176.191 176.600 -0.185 0.000 0.974 83 E CA -0.478 55.797 56.400 -0.208 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 1.885 124.631 122.820 -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 51.434 52.037 -0.095 0.000 0.890 84 A CB 0.793 19.761 19.000 -0.052 0.000 1.239 84 A HN 0.401 nan 8.150 nan 0.000 0.506 85 V N -4.042 115.835 119.914 -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 -0.328 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 2.462 125.420 122.820 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 0.217 0.000 1.079 86 A CA -0.992 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 1.893 123.137 121.223 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 0.180 54.833 54.840 -0.312 0.000 0.871 87 L CB 0.378 42.290 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.863 112.564 114.554 -0.210 0.000 2.770 88 T HA 0.089 4.439 4.350 -0.000 0.000 0.281 88 T C 0.752 175.367 174.700 -0.140 0.000 0.981 88 T CA -0.801 61.195 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 -0.256 120.036 120.400 -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 1.047 55.031 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 0.466 nan 8.370 nan 0.000 0.472 90 F N 0.163 120.040 119.950 -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 58.378 58.000 -0.060 0.000 1.442 90 F CB -0.909 38.024 39.000 -0.113 0.000 1.097 90 F HN -0.026 nan 8.300 nan 0.000 0.547 91 G N 2.646 111.466 108.800 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 -1.144 173.730 174.900 -0.044 0.000 1.286 91 G CA 0.546 45.585 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.049 nan 4.420 nan 0.000 0.228 92 P C 1.608 178.921 177.300 0.021 0.000 1.151 92 P CA 2.263 65.373 63.100 0.018 0.000 0.770 92 P CB -0.377 31.327 31.700 0.007 0.000 0.786 93 A N 0.076 122.869 122.820 -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 1.006 53.012 52.037 -0.053 0.000 0.701 93 A CB -0.985 17.875 19.000 -0.233 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.360 118.472 118.700 0.220 0.000 2.268 94 N HA 0.189 4.929 4.740 -0.000 0.000 0.204 94 N C 1.033 176.688 175.510 0.242 0.000 1.124 94 N CA 0.074 53.277 53.050 0.255 0.000 0.838 94 N CB 0.122 38.741 38.487 0.219 0.000 0.994 94 N HN 0.469 nan 8.380 nan 0.000 0.489 95 L N -0.291 121.110 121.223 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 0.307 0.000 1.105 95 L CA 0.775 55.818 54.840 0.338 0.000 0.775 95 L CB 0.248 42.527 42.059 0.367 0.000 0.913 95 L HN -0.120 nan 8.230 nan 0.000 0.440 96 V N -0.332 119.688 119.914 0.178 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 -0.151 0.000 1.020 96 V CA -0.416 61.757 62.300 -0.212 0.000 0.850 96 V CB 1.673 33.057 31.823 -0.731 0.000 0.987 96 V HN 0.219 nan 8.190 nan 0.000 0.436 97 Q N 3.632 123.350 119.800 -0.135 0.000 2.062 97 Q HA 0.152 4.492 4.340 -0.000 0.000 0.196 97 Q C 0.323 176.227 176.000 -0.159 0.000 0.967 97 Q CA 1.010 56.774 55.803 -0.065 0.000 0.832 97 Q CB 0.379 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 -0.822 119.534 120.500 -0.240 0.000 2.739 98 R HA 0.620 4.960 4.340 -0.000 0.000 0.271 98 R C -1.751 174.358 176.300 -0.318 0.000 1.010 98 R CA -0.516 55.432 56.100 -0.253 0.000 0.897 98 R CB 2.574 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 2.957 122.700 119.914 -0.284 0.000 2.971 99 V HA 0.697 4.817 4.120 -0.000 0.000 0.309 99 V C -1.548 174.428 176.094 -0.197 0.000 1.130 99 V CA -0.599 61.534 62.300 -0.279 0.000 0.964 99 V CB 2.135 33.766 31.823 -0.321 0.000 1.029 99 V HN 0.634 nan 8.190 nan 0.000 0.427 100 I N 5.922 126.395 120.570 -0.163 0.000 2.607 100 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 100 I C -1.828 174.228 176.117 -0.101 0.000 1.129 100 I CA -0.658 60.555 61.300 -0.146 0.000 1.042 100 I CB 2.225 40.146 38.000 -0.131 0.000 1.242 100 I HN 0.747 nan 8.210 nan 0.000 0.421 101 Y N 6.271 126.419 120.300 -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 -0.693 57.293 58.100 -0.189 0.000 1.078 101 Y CB 1.292 39.649 38.460 -0.171 0.000 1.193 101 Y HN 0.361 nan 8.280 nan 0.000 0.452 102 Y N 4.663 124.456 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 -0.000 0.000 0.340 102 Y C -0.088 175.280 175.900 -0.886 0.000 0.975 102 Y CA -1.022 56.741 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 2.723 122.984 120.400 -0.232 0.000 2.451 103 D HA 0.234 4.874 4.640 -0.000 0.000 0.259 103 D C -2.231 174.065 176.300 -0.007 0.000 1.201 103 D CA -2.298 51.660 54.000 -0.070 0.000 1.028 103 D CB 0.411 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 -0.065 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 64.155 63.100 0.018 0.000 0.795 104 P CB 0.102 31.819 31.700 0.028 0.000 0.775 105 D N -1.343 119.090 120.400 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 -0.510 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 1.034 119.771 118.700 0.062 0.000 2.741 106 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 106 N C 0.121 175.744 175.510 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 1.202 121.100 119.800 0.164 0.000 2.256 107 Q HA 0.350 4.690 4.340 -0.000 0.000 0.254 107 Q C -0.131 175.955 176.000 0.145 0.000 0.916 107 Q CA -0.197 55.685 55.803 0.132 0.000 0.932 107 Q CB 0.749 29.540 28.738 0.088 0.000 1.207 107 Q HN 0.116 nan 8.270 nan 0.000 0.426 108 R N 3.052 123.552 120.500 -0.001 0.000 2.490 108 R HA 0.266 4.606 4.340 -0.000 0.000 0.280 108 R C 0.292 176.590 176.300 -0.002 0.000 1.077 108 R CA -0.136 55.868 56.100 -0.161 0.000 1.065 108 R CB 0.668 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 0.221 119.255 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 -0.000 0.000 0.118 109 H C 0.089 175.335 175.328 -0.137 0.000 1.355 109 H CA -0.344 55.681 56.048 -0.039 0.000 0.741 109 H CB 0.262 30.067 29.762 0.073 0.000 1.615 109 H HN 0.381 nan 8.280 nan 0.000 0.266 110 T N 1.526 116.082 114.554 0.003 0.000 2.916 110 T HA 0.085 4.435 4.350 -0.000 0.000 0.303 110 T C 0.112 174.744 174.700 -0.114 0.000 1.025 110 T CA 0.472 62.496 62.100 -0.127 0.000 1.142 110 T CB 0.315 69.071 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 -0.803 175.751 176.600 -0.076 0.000 1.039 111 E CA -0.466 55.873 56.400 -0.103 0.000 0.777 111 E CB 0.921 30.569 29.700 -0.088 0.000 1.473 111 E HN 0.592 nan 8.360 nan 0.000 0.388 112 T N 0.985 115.468 114.554 -0.119 0.000 2.731 112 T HA 0.447 4.797 4.350 -0.000 0.000 0.300 112 T C -0.919 173.645 174.700 -0.225 0.000 1.283 112 T CA -0.220 61.805 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 0.416 nan 8.240 nan 0.000 0.503 113 S N -0.000 115.495 115.700 -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 1.076 109.676 108.800 -0.334 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 1.323 176.212 174.900 -0.019 0.000 1.158 114 G CA 0.755 45.711 45.100 -0.240 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.207 121.463 121.300 -0.074 0.000 2.388 115 W HA -0.028 4.632 4.660 0.000 0.000 0.294 115 W C 1.793 177.996 176.519 -0.527 0.000 1.212 115 W CA 0.844 57.955 57.345 -0.389 0.000 1.271 115 W CB -1.046 28.141 29.460 -0.455 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.261 119.965 119.070 -0.610 0.000 2.326 116 H HA -0.183 4.373 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 1.806 57.628 56.048 -0.376 0.000 1.334 116 H CB -0.131 29.244 29.762 -0.646 0.000 1.385 116 H HN 0.114 nan 8.280 nan 0.000 0.504 117 L N 1.072 122.070 121.223 -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 2.469 57.125 54.840 -0.306 0.000 0.753 117 L CB -1.137 40.811 42.059 -0.186 0.000 0.890 117 L HN 0.379 nan 8.230 nan 0.000 0.432 118 H N -1.318 117.680 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.846 177.157 175.328 -0.028 0.000 1.090 118 H CA 2.192 58.165 56.048 -0.125 0.000 1.327 118 H CB -0.353 29.306 29.762 -0.171 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.232 119.601 119.950 -0.195 0.000 2.216 119 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 119 F C 2.662 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.858 58.790 58.000 -0.112 0.000 1.326 119 F CB -0.975 38.002 39.000 -0.038 0.000 1.027 119 F HN 0.103 nan 8.300 nan 0.000 0.497 120 V N 0.071 119.971 119.914 -0.023 0.000 2.427 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 120 V C 1.940 177.977 176.094 -0.095 0.000 1.051 120 V CA 1.803 64.075 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 -0.289 118.267 118.700 -0.240 0.000 2.104 121 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 121 N C 1.838 177.216 175.510 -0.220 0.000 1.024 121 N CA 1.817 54.605 53.050 -0.436 0.000 0.853 121 N CB -0.200 37.624 38.487 -1.105 0.000 1.008 121 N HN 0.417 nan 8.380 nan 0.000 0.424 122 T N 0.589 115.046 114.554 -0.162 0.000 2.708 122 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 122 T C 2.062 176.729 174.700 -0.056 0.000 1.037 122 T CA 1.195 63.270 62.100 -0.041 0.000 1.146 122 T CB -0.337 68.482 68.868 -0.082 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.891 124.686 122.820 -0.042 0.000 1.908 123 A HA -0.155 4.165 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 1.404 53.379 52.037 -0.102 0.000 0.627 123 A CB -0.335 18.565 19.000 -0.167 0.000 0.818 123 A HN 0.294 nan 8.150 nan 0.000 0.445 124 K N -0.657 119.740 120.400 -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 1.413 57.687 56.287 -0.022 0.000 0.948 124 K CB -0.214 32.245 32.500 -0.067 0.000 0.728 124 K HN 0.762 nan 8.250 nan 0.000 0.448 125 Q N -0.052 119.750 119.800 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 1.261 57.072 55.803 0.013 0.000 0.857 125 Q CB 0.247 29.044 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.572 108.208 108.800 -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 0.202 45.273 45.100 -0.047 0.000 0.662 126 G HN 0.823 nan 8.290 nan 0.000 0.527 127 A N -1.302 121.472 122.820 -0.076 0.000 2.597 127 A HA 0.787 5.107 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 0.714 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 -0.347 177.018 177.300 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 0.024 0.000 0.764 129 F N 5.767 125.725 119.950 0.014 0.000 2.612 129 F HA -0.058 4.469 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 0.362 58.379 58.000 0.029 0.000 1.232 129 F CB -0.403 38.640 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.597 124.450 121.223 -0.616 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 0.557 55.052 54.840 -0.576 0.000 0.968 130 L CB -2.350 39.210 42.059 -0.831 0.000 1.933 130 L HN 0.734 nan 8.230 nan 0.000 0.976 131 S N -1.847 113.768 115.700 -0.141 0.000 2.645 131 S HA 0.531 5.001 4.470 -0.000 0.000 0.266 131 S C 0.316 174.867 174.600 -0.082 0.000 1.258 131 S CA -0.033 58.123 58.200 -0.073 0.000 0.990 131 S CB 2.197 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 1.719 117.387 115.700 -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 4.125 123.696 119.600 -0.048 0.000 2.240 133 M HA 0.543 5.023 4.480 -0.000 0.000 0.333 133 M C -0.863 175.419 176.300 -0.031 0.000 1.110 133 M CA -0.408 54.866 55.300 -0.043 0.000 1.173 133 M CB 0.496 33.060 32.600 -0.059 0.000 1.458 133 M HN 0.247 nan 8.290 nan 0.000 0.458 134 V N 2.629 122.530 119.914 -0.022 0.000 2.439 134 V HA 0.602 4.722 4.120 -0.000 0.000 0.282 134 V C 0.467 176.551 176.094 -0.017 0.000 1.039 134 V CA -0.164 62.130 62.300 -0.011 0.000 0.913 134 V CB 1.182 33.002 31.823 -0.004 0.000 0.983 134 V HN 1.107 nan 8.190 nan 0.000 0.460 135 T N -0.270 114.278 114.554 -0.009 0.000 2.838 135 T HA 0.350 4.700 4.350 -0.000 0.000 0.292 135 T C 0.255 174.958 174.700 0.006 0.000 1.113 135 T CA -0.285 61.807 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 -0.073 120.330 120.400 0.004 0.000 2.336 136 D HA 0.074 4.714 4.640 -0.000 0.000 0.229 136 D C 0.667 176.984 176.300 0.029 0.000 1.061 136 D CA -0.173 53.835 54.000 0.014 0.000 0.875 136 D CB -0.387 40.417 40.800 0.007 0.000 0.904 136 D HN 0.390 nan 8.370 nan 0.000 0.525 137 S N 1.790 117.517 115.700 0.045 0.000 2.544 137 S HA 0.078 4.548 4.470 -0.000 0.000 0.290 137 S C -1.044 173.610 174.600 0.089 0.000 1.276 137 S CA -0.931 57.321 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 0.339 63.461 63.100 0.038 0.000 0.787 138 P CB -0.044 31.670 31.700 0.024 0.000 0.802 139 I N 1.181 121.780 120.570 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 0.285 61.552 61.300 -0.054 0.000 1.426 139 I CB 0.171 38.129 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.536 126.830 120.400 -0.176 0.000 3.233 140 K HA 0.072 4.392 4.320 -0.000 0.000 0.283 140 K C -0.709 175.802 176.600 -0.148 0.000 1.209 140 K CA -0.016 56.198 56.287 -0.121 0.000 1.197 140 K CB -0.586 31.861 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 0.659 58.746 58.100 -0.023 0.000 1.490 141 Y CB 0.786 39.231 38.460 -0.026 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.073 108.967 108.800 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 -1.744 173.180 174.900 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 1.384 177.692 176.300 0.014 0.000 1.171 143 D CA 0.094 54.102 54.000 0.014 0.000 1.006 143 D CB 0.681 41.489 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.800 122.721 119.914 0.011 0.000 2.575 144 V HA -0.029 4.091 4.120 -0.000 0.000 0.242 144 V C 1.880 177.978 176.094 0.007 0.000 1.045 144 V CA 0.780 63.083 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 -0.445 119.159 119.600 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 55.398 55.300 0.011 0.000 1.010 145 M CB -0.619 31.980 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 0.269 53.343 53.050 0.040 0.000 0.759 146 N CB -1.235 37.281 38.487 0.049 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.211 119.725 119.914 0.036 0.000 2.287 147 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 147 V C 1.415 177.610 176.094 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 0.376 120.998 120.570 0.087 0.000 2.410 148 I HA 0.488 4.658 4.170 -0.000 0.000 0.286 148 I C -1.120 175.035 176.117 0.063 0.000 1.009 148 I CA -0.296 61.065 61.300 0.102 0.000 1.111 148 I CB 1.760 39.801 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 2.295 43.136 40.800 0.068 0.000 1.556 149 D HN 0.679 nan 8.370 nan 0.000 0.462 150 A N 2.484 125.350 122.820 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 1.424 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 0.306 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 0.467 63.664 63.100 0.161 0.000 0.768 151 P CB 1.309 33.084 31.700 0.124 0.000 0.842 152 A N 3.545 126.448 122.820 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 -0.882 173.840 174.700 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 70.388 68.868 0.068 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.826 122.339 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 -0.000 0.000 0.283 154 I C 0.618 176.654 176.117 -0.135 0.000 1.023 154 I CA -1.114 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.455 39.209 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 0.713 5.033 4.320 -0.000 0.000 0.249 155 A C 0.632 178.176 177.584 -0.066 0.000 1.084 155 A CA -0.287 51.714 52.037 -0.061 0.000 0.794 155 A CB 0.460 19.439 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 0.968 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 0.841 109.619 108.800 -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 0.606 45.679 45.100 -0.044 0.000 0.632 157 G HN 2.192 nan 8.290 nan 0.000 0.529 158 A N -0.522 122.257 122.820 -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 0.631 52.626 52.037 -0.070 0.000 0.847 158 A CB 1.102 20.063 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.622 115.133 114.554 -0.073 0.000 2.812 159 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 159 T C 0.164 174.830 174.700 -0.058 0.000 0.990 159 T CA 0.043 62.099 62.100 -0.074 0.000 0.960 159 T CB 1.459 70.299 68.868 -0.046 0.000 0.948 159 T HN 1.037 nan 8.240 nan 0.000 0.438 160 G N 1.957 110.715 108.800 -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 -0.840 174.076 174.900 0.026 0.000 1.143 160 G CA -0.571 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 0.623 120.855 120.200 0.052 0.000 2.171 161 E HA 0.480 4.830 4.350 -0.000 0.000 0.271 161 E C -0.913 175.747 176.600 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 1.399 122.694 121.223 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 0.106 0.000 1.009 162 L CA -0.467 54.452 54.840 0.132 0.000 0.819 162 L CB 2.120 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 2.277 116.888 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 -0.000 0.000 0.297 163 T C -1.085 173.658 174.700 0.073 0.000 1.013 163 T CA -0.365 61.783 62.100 0.079 0.000 0.990 163 T CB 1.637 70.572 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 0.679 5.159 4.480 -0.000 0.000 0.293 164 M C -2.376 173.871 176.300 -0.089 0.000 1.192 164 M CA -0.852 54.435 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 2.728 122.998 120.300 -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 0.141 0.000 1.044 165 Y CB 2.068 40.666 38.460 0.230 0.000 1.230 165 Y HN 0.623 nan 8.280 nan 0.000 0.455 166 Y N 1.173 121.770 120.300 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 40.567 38.460 0.113 0.000 1.245 166 Y HN 0.645 nan 8.280 nan 0.000 0.455 167 W N 4.988 126.378 121.300 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 9.361 128.986 119.914 -0.482 0.000 2.334 168 V HA 0.194 4.314 4.120 -0.000 0.000 0.267 168 V C -1.609 173.990 176.094 -0.826 0.000 1.040 168 V CA -1.557 60.472 62.300 -0.451 0.000 0.866 168 V CB 0.962 32.652 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 0.044 177.243 177.300 -0.168 0.000 1.261 169 P CA -0.304 62.628 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 1.494 122.656 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 -0.000 0.000 0.178 170 L C 1.377 178.376 176.870 0.214 0.000 1.135 170 L CA 0.101 54.898 54.840 -0.070 0.000 0.855 170 L CB -0.831 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 -0.891 122.026 122.820 0.162 0.000 2.445 171 A HA -0.035 4.285 4.320 -0.000 0.000 0.242 171 A C 0.551 178.289 177.584 0.258 0.000 1.075 171 A CA 0.047 52.202 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 2.289 122.579 120.300 -0.017 0.000 2.181 172 Y HA -0.024 4.526 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 1.807 59.722 58.100 -0.308 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 -2.124 113.561 115.700 -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 57.858 58.200 -0.096 0.000 0.851 173 S CB 1.282 64.414 63.200 -0.114 0.000 1.217 173 S HN 0.090 nan 8.310 nan 0.000 0.526 174 E N 0.479 120.640 120.200 -0.065 0.000 2.208 174 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 174 E C 1.540 178.121 176.600 -0.030 0.000 0.988 174 E CA 2.040 58.404 56.400 -0.061 0.000 0.828 174 E CB -0.225 29.410 29.700 -0.108 0.000 0.763 174 E HN 0.789 nan 8.360 nan 0.000 0.478 175 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 0.244 174.961 174.700 0.028 0.000 1.021 175 T CA -0.155 61.946 62.100 0.002 0.000 0.957 175 T CB 0.245 69.112 68.868 -0.001 0.000 1.047 175 T HN -0.061 nan 8.240 nan 0.000 0.511 176 D N 1.189 121.628 120.400 0.064 0.000 2.453 176 D HA 0.313 4.953 4.640 -0.000 0.000 0.238 176 D C 0.629 176.973 176.300 0.074 0.000 1.088 176 D CA -0.686 53.361 54.000 0.079 0.000 0.854 176 D CB 1.062 41.969 40.800 0.179 0.000 1.076 176 D HN 0.206 nan 8.370 nan 0.000 0.533 177 L N 2.496 123.736 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 -0.000 0.000 0.233 177 L C 0.761 177.636 176.870 0.009 0.000 1.144 177 L CA 0.155 55.014 54.840 0.031 0.000 0.892 177 L CB -0.324 41.748 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.868 115.391 114.554 -0.052 0.000 2.871 178 T HA 0.225 4.575 4.350 -0.000 0.000 0.296 178 T C 1.258 175.951 174.700 -0.013 0.000 0.998 178 T CA 1.056 63.054 62.100 -0.170 0.000 1.162 178 T CB 0.837 69.391 68.868 -0.523 0.000 0.947 178 T HN 0.630 nan 8.240 nan 0.000 0.536 179 G N 2.041 110.863 108.800 0.036 0.000 2.213 179 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.236 179 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.236 179 G C 0.363 175.375 174.900 0.188 0.000 0.991 179 G CA -0.035 45.187 45.100 0.203 0.000 0.629 179 G HN 1.159 nan 8.290 nan 0.000 0.517 180 A N -0.465 122.420 122.820 0.108 0.000 2.386 180 A HA 0.651 4.971 4.320 -0.000 0.000 0.246 180 A C 0.405 178.030 177.584 0.068 0.000 1.089 180 A CA 0.755 52.830 52.037 0.064 0.000 0.790 180 A CB 0.873 19.903 19.000 0.050 0.000 1.042 180 A HN 1.197 nan 8.150 nan 0.000 0.497 181 V N 1.819 121.750 119.914 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 -0.522 61.809 62.300 0.052 0.000 0.859 181 V CB 1.371 33.220 31.823 0.043 0.000 0.988 181 V HN 0.777 nan 8.190 nan 0.000 0.431 182 L N 5.185 126.433 121.223 0.042 0.000 2.278 182 L HA 0.665 5.005 4.340 -0.000 0.000 0.287 182 L C 0.704 177.578 176.870 0.007 0.000 1.072 182 L CA 0.663 55.511 54.840 0.013 0.000 0.819 182 L CB 0.980 43.037 42.059 -0.004 0.000 1.176 182 L HN 0.753 nan 8.230 nan 0.000 0.435 183 A N 3.755 126.570 122.820 -0.009 0.000 2.624 183 A HA 0.167 4.487 4.320 -0.000 0.000 0.287 183 A C 1.300 178.857 177.584 -0.045 0.000 1.087 183 A CA -0.060 51.969 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 -0.077 4.663 4.740 -0.000 0.000 0.181 184 N C 1.213 176.672 175.510 -0.085 0.000 1.046 184 N CA 1.624 54.625 53.050 -0.081 0.000 0.904 184 N CB 0.249 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 -2.322 117.542 119.914 -0.084 0.000 3.054 185 V HA 0.255 4.375 4.120 -0.000 0.000 0.227 185 V C -1.161 174.909 176.094 -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 3.190 66.282 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 -3.952 115.838 119.800 -0.016 0.000 2.540 187 Q HA -0.273 4.067 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 1.920 57.714 55.803 -0.015 0.000 0.213 187 Q CB -2.706 26.023 28.738 -0.013 0.000 0.199 187 Q HN 0.446 nan 8.270 nan 0.000 0.403 188 S N 2.720 118.411 115.700 -0.016 0.000 2.558 188 S HA 0.147 4.617 4.470 -0.000 0.000 0.291 188 S C 0.375 174.961 174.600 -0.025 0.000 1.306 188 S CA 0.564 58.751 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 3.697 124.075 120.400 -0.038 0.000 2.202 189 K HA 0.286 4.606 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 55.696 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 -0.782 175.127 176.000 -0.151 0.000 0.940 190 Q CA -0.732 55.008 55.803 -0.104 0.000 0.896 190 Q CB 1.555 30.309 28.738 0.026 0.000 1.226 190 Q HN 0.465 nan 8.270 nan 0.000 0.463 191 R N 1.191 121.534 120.500 -0.262 0.000 2.502 191 R HA 0.393 4.733 4.340 -0.000 0.000 0.300 191 R C -1.626 174.546 176.300 -0.214 0.000 0.984 191 R CA -0.751 55.235 56.100 -0.190 0.000 0.882 191 R CB 1.220 31.428 30.300 -0.152 0.000 1.180 191 R HN 0.339 nan 8.270 nan 0.000 0.444 192 L N 3.673 124.782 121.223 -0.189 0.000 2.301 192 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 192 L C -0.884 175.880 176.870 -0.176 0.000 1.022 192 L CA -0.248 54.467 54.840 -0.208 0.000 0.854 192 L CB 0.839 42.628 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.173 126.497 120.400 -0.126 0.000 2.201 193 K HA 0.601 4.921 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 1.359 33.828 32.500 -0.053 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.458 123.528 121.223 -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 -0.411 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 3.181 123.119 120.200 -0.436 0.000 2.129 195 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 195 E C -1.304 175.106 176.600 -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 30.647 29.700 -0.150 0.000 1.117 195 E HN 0.301 nan 8.360 nan 0.000 0.410 196 F N 1.886 121.847 119.950 0.017 0.000 2.370 196 F HA 0.464 4.991 4.527 0.000 0.000 0.319 196 F C 1.074 176.902 175.800 0.046 0.000 1.129 196 F CA -0.557 57.480 58.000 0.061 0.000 1.109 196 F CB 0.838 39.968 39.000 0.216 0.000 1.262 196 F HN 0.506 nan 8.300 nan 0.000 0.534 197 A N 1.644 124.613 122.820 0.249 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 -0.165 51.976 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 -0.713 118.101 118.700 0.191 0.000 3.102 198 N HA 0.258 4.998 4.740 -0.000 0.000 0.299 198 N C -0.124 175.627 175.510 0.402 0.000 1.482 198 N CA -0.825 52.365 53.050 0.233 0.000 0.785 198 N CB 0.362 38.957 38.487 0.180 0.000 1.680 198 N HN 0.296 nan 8.380 nan 0.000 0.594 199 N N -0.601 118.358 118.700 0.431 0.000 2.573 199 N HA -0.030 4.710 4.740 -0.000 0.000 0.187 199 N C -0.041 175.673 175.510 0.339 0.000 1.107 199 N CA 0.649 53.991 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 -1.076 117.756 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 -0.000 0.000 0.176 200 N C 1.505 177.081 175.510 0.110 0.000 1.062 200 N CA 0.802 53.948 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 -2.835 111.767 114.554 0.081 0.000 3.000 201 T HA 0.313 4.663 4.350 -0.000 0.000 0.248 201 T C 1.852 176.517 174.700 -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 0.814 123.488 122.820 -0.243 0.000 2.066 202 A HA 0.408 4.728 4.320 -0.000 0.000 0.218 202 A C 0.141 177.242 177.584 -0.806 0.000 1.157 202 A CA 0.252 51.918 52.037 -0.619 0.000 0.670 202 A CB -0.574 17.824 19.000 -1.002 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.814 119.193 119.950 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 -1.420 56.620 58.000 0.067 0.000 0.948 203 F CB 1.433 40.452 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 -0.197 177.445 177.584 0.097 0.000 1.195 204 A CA -0.587 51.517 52.037 0.111 0.000 0.826 204 A CB 0.676 19.709 19.000 0.056 0.000 1.184 204 A HN 0.966 nan 8.150 nan 0.000 0.496 205 A N 1.668 124.533 122.820 0.075 0.000 2.332 205 A HA 0.535 4.855 4.320 -0.000 0.000 0.258 205 A C 0.395 177.997 177.584 0.031 0.000 1.087 205 A CA -0.319 51.747 52.037 0.048 0.000 0.802 205 A CB 0.011 19.037 19.000 0.043 0.000 1.042 205 A HN 1.218 nan 8.150 nan 0.000 0.489 206 V N 1.373 121.295 119.914 0.014 0.000 2.617 206 V HA 0.355 4.475 4.120 -0.000 0.000 0.304 206 V C 1.690 177.790 176.094 0.010 0.000 1.040 206 V CA 1.887 64.192 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 1.966 nan 8.190 nan 0.000 0.487 207 G N 3.211 112.016 108.800 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 0.414 175.320 174.900 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 -0.126 122.705 122.820 0.019 0.000 2.271 208 A HA 0.655 4.975 4.320 -0.000 0.000 0.288 208 A C 0.502 178.103 177.584 0.028 0.000 1.094 208 A CA 0.112 52.163 52.037 0.025 0.000 0.828 208 A CB 0.384 19.405 19.000 0.036 0.000 1.091 208 A HN 0.519 nan 8.150 nan 0.000 0.493 209 N N 1.102 119.822 118.700 0.035 0.000 2.452 209 N HA 0.136 4.876 4.740 -0.000 0.000 0.266 209 N C -1.755 173.779 175.510 0.040 0.000 1.175 209 N CA -1.306 51.779 53.050 0.059 0.000 0.945 209 N CB 1.013 39.537 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 -0.124 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 1.568 122.646 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 211 L C 1.746 178.415 176.870 -0.334 0.000 1.077 211 L CA 2.206 56.776 54.840 -0.451 0.000 0.773 211 L CB -0.903 41.126 42.059 -0.050 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.015 120.150 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 -0.000 0.000 0.195 212 E C 0.681 177.305 176.600 0.040 0.000 1.039 212 E CA 0.575 57.023 56.400 0.081 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 0.734 123.527 122.820 -0.045 0.000 2.271 213 A HA 0.510 4.830 4.320 -0.000 0.000 0.288 213 A C 1.099 178.641 177.584 -0.069 0.000 1.094 213 A CA -0.444 51.561 52.037 -0.053 0.000 0.828 213 A CB 0.531 19.506 19.000 -0.042 0.000 1.091 213 A HN 0.049 nan 8.150 nan 0.000 0.493 214 I N -1.584 118.937 120.570 -0.082 0.000 3.039 214 I HA 0.125 4.295 4.170 -0.000 0.000 0.270 214 I C -0.376 175.556 176.117 -0.308 0.000 1.150 214 I CA 0.638 61.858 61.300 -0.135 0.000 1.448 214 I CB 0.004 37.985 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 -0.252 175.706 175.900 0.096 0.000 0.987 215 Y CA -0.769 57.390 58.100 0.099 0.000 1.044 215 Y CB 1.736 40.305 38.460 0.182 0.000 1.245 215 Y HN -0.068 nan 8.280 nan 0.000 0.461 216 Q N 1.265 121.190 119.800 0.208 0.000 2.359 216 Q HA 0.765 5.105 4.340 -0.000 0.000 0.274 216 Q C -0.979 175.078 176.000 0.094 0.000 1.074 216 Q CA -0.627 55.249 55.803 0.121 0.000 0.810 216 Q CB 2.658 31.423 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.377 109.208 108.800 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 -0.266 174.606 174.900 -0.047 0.000 1.335 217 G CA -0.132 44.969 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 0.320 4.640 4.320 -0.000 0.000 0.220 218 A C 2.237 179.623 177.584 -0.331 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 1.994 nan 8.150 nan 0.000 0.453 219 G N -1.731 106.857 108.800 -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 1.287 176.086 174.900 -0.169 0.000 1.159 219 G CA 0.851 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 1.463 124.225 122.820 -0.097 0.000 1.917 220 A HA 0.104 4.424 4.320 -0.000 0.000 0.219 220 A C 2.760 180.331 177.584 -0.022 0.000 1.182 220 A CA 2.244 54.264 52.037 -0.027 0.000 0.633 220 A CB -0.713 18.338 19.000 0.084 0.000 0.819 220 A HN 0.796 nan 8.150 nan 0.000 0.448 221 A N -0.689 122.146 122.820 0.025 0.000 2.024 221 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 221 A C 1.356 178.947 177.584 0.012 0.000 1.164 221 A CA 1.774 53.840 52.037 0.048 0.000 0.643 221 A CB -0.338 18.703 19.000 0.069 0.000 0.806 221 A HN 0.481 nan 8.150 nan 0.000 0.451 222 D N -1.195 119.204 120.400 -0.002 0.000 2.388 222 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 222 D C -0.352 175.832 176.300 -0.193 0.000 1.133 222 D CA -0.036 53.935 54.000 -0.049 0.000 0.831 222 D CB -0.090 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 1.546 120.607 119.300 -0.399 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 0.833 27.687 27.740 -1.478 0.000 2.428 223 C HN 0.399 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 0.454 4.804 4.350 -0.000 0.000 0.280 224 E C -1.765 174.801 176.600 -0.056 0.000 1.039 224 E CA -0.690 55.601 56.400 -0.183 0.000 0.814 224 E CB 0.586 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 1.778 177.601 175.800 0.039 0.000 1.100 225 F CA 0.012 58.099 58.000 0.144 0.000 1.191 225 F CB 1.439 40.512 39.000 0.122 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.567 121.879 120.200 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 57.488 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 -0.945 119.289 120.200 0.057 0.000 2.398 227 E HA 0.390 4.740 4.350 -0.000 0.000 0.280 227 E C -1.328 175.130 176.600 -0.237 0.000 1.122 227 E CA -0.581 55.743 56.400 -0.127 0.000 0.873 227 E CB 0.362 29.981 29.700 -0.135 0.000 1.294 227 E HN 0.081 nan 8.360 nan 0.000 0.435 228 I N 0.559 120.749 120.570 -0.633 0.000 2.686 228 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 228 I C -0.919 174.762 176.117 -0.727 0.000 1.114 228 I CA -0.879 59.988 61.300 -0.722 0.000 1.038 228 I CB 2.392 39.705 38.000 -1.146 0.000 1.238 228 I HN 0.544 nan 8.210 nan 0.000 0.420 229 S N 3.625 119.098 115.700 -0.378 0.000 2.548 229 S HA 0.740 5.210 4.470 -0.000 0.000 0.286 229 S C -1.507 173.027 174.600 -0.111 0.000 1.098 229 S CA -0.623 57.417 58.200 -0.268 0.000 0.930 229 S CB 2.011 65.098 63.200 -0.188 0.000 1.070 229 S HN 0.531 nan 8.310 nan 0.000 0.480 230 Y N -1.255 118.959 120.300 -0.143 0.000 2.562 230 Y HA 0.858 5.408 4.550 -0.000 0.000 0.345 230 Y C -0.943 174.931 175.900 -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 39.653 38.460 0.069 0.000 1.297 230 Y HN 0.434 nan 8.280 nan 0.000 0.463 231 T N 2.905 117.578 114.554 0.199 0.000 2.928 231 T HA 0.531 4.881 4.350 -0.000 0.000 0.296 231 T C -1.455 173.334 174.700 0.149 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.507 70.343 68.868 -0.054 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.113 124.090 119.914 0.106 0.000 2.398 232 V HA 0.478 4.598 4.120 -0.000 0.000 0.286 232 V C -1.128 175.005 176.094 0.064 0.000 1.026 232 V CA -0.761 61.640 62.300 0.169 0.000 0.868 232 V CB 0.835 32.758 31.823 0.166 0.000 0.982 232 V HN 0.807 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 0.311 176.408 175.900 0.328 0.000 0.992 233 Y CA -0.323 57.954 58.100 0.295 0.000 1.100 233 Y CB 1.684 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 2.135 122.199 119.800 0.440 0.000 2.271 234 Q HA 0.457 4.797 4.340 -0.000 0.000 0.258 234 Q C -0.886 175.279 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.283 0.000 0.909 234 Q CB 1.316 30.247 28.738 0.320 0.000 1.253 234 Q HN 0.655 nan 8.270 nan 0.000 0.440 235 S N 4.283 120.051 115.700 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 0.251 63.648 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 0.721 5.271 4.550 -0.000 0.000 0.333 236 Y C -1.860 174.057 175.900 0.028 0.000 1.190 236 Y CA -1.578 56.522 58.100 0.001 0.000 1.063 236 Y CB 0.816 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 2.428 123.758 121.223 0.177 0.000 2.313 237 L HA 0.482 4.822 4.340 -0.000 0.000 0.283 237 L C -0.852 176.160 176.870 0.238 0.000 1.013 237 L CA -0.566 54.332 54.840 0.097 0.000 0.816 237 L CB 1.449 43.555 42.059 0.079 0.000 1.236 237 L HN 0.686 nan 8.230 nan 0.000 0.419 238 D N 1.913 122.430 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 238 D C -0.367 176.052 176.300 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 0.213 120.126 119.800 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 2.039 123.392 121.223 0.216 0.000 2.490 240 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 240 L C -1.053 175.880 176.870 0.106 0.000 1.201 240 L CA -1.165 53.813 54.840 0.230 0.000 0.869 240 L CB -0.207 42.101 42.059 0.414 0.000 1.123 240 L HN 0.019 nan 8.230 nan 0.000 0.484 241 P HA 0.117 nan 4.420 nan 0.000 0.271 241 P C -0.848 176.371 177.300 -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 1.640 33.215 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.604 110.349 108.800 -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 0.730 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 2.708 58.506 55.803 -0.007 0.000 0.844 244 Q CB -1.963 26.774 28.738 -0.001 0.000 0.911 244 Q HN 1.292 nan 8.270 nan 0.000 0.423 245 N N -0.024 118.683 118.700 0.012 0.000 2.573 245 N HA 0.387 5.127 4.740 -0.000 0.000 0.187 245 N C 1.401 176.935 175.510 0.041 0.000 1.107 245 N CA 1.572 54.636 53.050 0.025 0.000 0.918 245 N CB -0.177 38.327 38.487 0.028 0.000 0.966 245 N HN 1.558 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 -1.051 173.871 174.900 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 0.903 121.213 120.300 0.017 0.000 2.717 247 Y HA 0.392 4.942 4.550 -0.000 0.000 0.330 247 Y C 1.505 177.415 175.900 0.017 0.000 1.217 247 Y CA 0.531 58.642 58.100 0.020 0.000 1.506 247 Y CB 0.338 38.812 38.460 0.023 0.000 1.268 247 Y HN 0.369 nan 8.280 nan 0.000 0.561 248 I N 6.182 126.828 120.570 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 37.984 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.559 129.832 121.223 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 53.007 54.840 0.066 0.000 0.818 249 L CB 2.556 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 0.645 177.945 177.300 -0.001 0.000 1.428 250 P CA -0.250 62.853 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 2.718 123.941 121.223 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 1.319 56.157 54.840 -0.002 0.000 0.759 251 L CB -0.555 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 -0.392 120.159 120.570 -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 1.037 62.303 61.300 -0.058 0.000 1.380 252 I CB -0.426 37.530 38.000 -0.073 0.000 1.067 252 I HN 0.206 nan 8.210 nan 0.000 0.413 253 D N 1.323 121.678 120.400 -0.075 0.000 2.106 253 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 253 D C 2.197 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.457 55.408 54.000 -0.082 0.000 0.834 253 D CB -0.399 40.371 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.055 121.273 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 -0.000 0.000 0.224 254 L C 1.508 178.395 176.870 0.029 0.000 1.145 254 L CA 0.547 55.401 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 -1.637 114.064 115.700 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 0.415 63.612 63.200 -0.004 0.000 0.832 255 S HN 0.229 nan 8.310 nan 0.000 0.486 256 T N 2.495 117.030 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 -0.000 0.000 0.281 256 T C -0.465 174.226 174.700 -0.014 0.000 1.007 256 T CA -0.443 61.620 62.100 -0.062 0.000 1.009 256 T CB 1.290 70.050 68.868 -0.180 0.000 0.983 256 T HN 0.091 nan 8.240 nan 0.000 0.455 257 L N 2.968 124.183 121.223 -0.015 0.000 2.309 257 L HA 0.500 4.840 4.340 -0.000 0.000 0.282 257 L C -1.000 175.956 176.870 0.143 0.000 1.036 257 L CA -1.120 53.693 54.840 -0.044 0.000 0.806 257 L CB 0.845 42.758 42.059 -0.243 0.000 1.220 257 L HN 0.626 nan 8.230 nan 0.000 0.429 258 Y N 4.039 124.394 120.300 0.091 0.000 2.388 258 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 258 Y C -0.930 174.925 175.900 -0.074 0.000 0.963 258 Y CA -1.130 57.073 58.100 0.171 0.000 1.240 258 Y CB 0.652 39.347 38.460 0.392 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.027 123.279 118.700 -0.747 0.000 2.265 259 N HA 0.539 5.279 4.740 -0.000 0.000 0.300 259 N C -1.897 173.097 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.281 40.270 38.487 -0.831 0.000 1.434 259 N HN 0.477 nan 8.380 nan 0.000 0.481 260 L N 0.768 121.697 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 -0.000 0.000 0.276 260 L C 0.118 176.985 176.870 -0.005 0.000 1.006 260 L CA -0.187 54.541 54.840 -0.187 0.000 0.817 260 L CB 1.290 43.219 42.059 -0.217 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 -1.415 175.284 176.600 0.165 0.000 0.939 261 E CA -0.891 55.640 56.400 0.219 0.000 0.769 261 E CB 2.786 32.697 29.700 0.352 0.000 1.251 261 E HN 0.643 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 -1.143 174.399 175.510 0.054 0.000 1.216 262 N CA -0.620 52.389 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 -1.494 114.237 115.700 0.051 0.000 2.643 263 S HA 0.829 5.299 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 0.168 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 -1.458 176.205 177.584 0.132 0.000 1.054 264 A CA -0.580 51.532 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 0.079 119.981 119.800 0.171 0.000 2.359 265 Q HA 0.721 5.061 4.340 -0.000 0.000 0.274 265 Q C -0.705 175.453 176.000 0.263 0.000 1.074 265 Q CA -0.602 55.348 55.803 0.246 0.000 0.810 265 Q CB 2.530 31.463 28.738 0.326 0.000 1.342 265 Q HN 1.102 nan 8.270 nan 0.000 0.427 266 A N -0.427 122.554 122.820 0.268 0.000 2.486 266 A HA 0.914 5.234 4.320 -0.000 0.000 0.289 266 A C 0.223 177.916 177.584 0.181 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.598 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 -0.976 107.819 108.800 -0.008 0.000 2.155 267 G HA2 0.016 3.976 3.960 -0.000 0.000 0.135 267 G HA3 0.016 3.976 3.960 -0.000 0.000 0.135 267 G C -0.416 174.477 174.900 -0.012 0.000 1.023 267 G CA -0.069 45.091 45.100 0.099 0.000 0.688 267 G HN 0.776 nan 8.290 nan 0.000 0.499 268 L N 1.447 122.441 121.223 -0.381 0.000 2.371 268 L HA 0.710 5.050 4.340 -0.000 0.000 0.272 268 L C 0.566 177.345 176.870 -0.150 0.000 1.124 268 L CA 0.218 54.806 54.840 -0.421 0.000 0.816 268 L CB 1.508 43.186 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.900 116.401 114.554 -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 -1.467 60.604 62.100 -0.047 0.000 0.993 269 T CB 1.869 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 -0.866 117.794 118.700 -0.068 0.000 2.753 271 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 271 N C -0.604 174.871 175.510 -0.058 0.000 1.097 271 N CA 0.762 53.773 53.050 -0.065 0.000 0.786 271 N CB -1.665 36.805 38.487 -0.028 0.000 1.137 271 N HN 0.181 nan 8.380 nan 0.000 0.566 272 V N 0.802 120.676 119.914 -0.066 0.000 2.555 272 V HA 0.239 4.359 4.120 -0.000 0.000 0.302 272 V C 0.084 176.146 176.094 -0.052 0.000 1.038 272 V CA -0.865 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 3.231 123.610 120.400 -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 0.423 41.221 40.800 -0.004 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 -0.792 57.131 58.000 -0.129 0.000 1.090 274 F CB 0.790 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 6.893 126.521 119.914 -0.476 0.000 2.417 275 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 275 V C -0.581 175.252 176.094 -0.435 0.000 1.024 275 V CA -0.894 61.207 62.300 -0.331 0.000 0.861 275 V CB 1.445 33.152 31.823 -0.193 0.000 0.985 275 V HN 0.493 nan 8.190 nan 0.000 0.436 276 V N 5.306 125.073 119.914 -0.245 0.000 2.328 276 V HA 0.331 4.451 4.120 -0.000 0.000 0.278 276 V C 0.150 176.123 176.094 -0.202 0.000 1.021 276 V CA -0.620 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 3.257 122.944 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 -0.000 0.000 0.260 277 Q C -1.168 174.686 176.000 -0.244 0.000 0.976 277 Q CA -0.062 55.653 55.803 -0.147 0.000 0.881 277 Q CB 0.998 29.676 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.359 120.548 120.300 -0.185 0.000 2.310 278 Y HA 0.378 4.928 4.550 -0.000 0.000 0.326 278 Y C 0.515 176.304 175.900 -0.185 0.000 1.151 278 Y CA -0.530 57.352 58.100 -0.365 0.000 1.195 278 Y CB 1.032 39.201 38.460 -0.484 0.000 1.210 278 Y HN 0.670 nan 8.280 nan 0.000 0.483 279 A N 2.684 125.523 122.820 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 51.223 52.037 -0.078 0.000 0.811 279 A CB 0.029 18.850 19.000 -0.299 0.000 1.072 279 A HN 0.870 nan 8.150 nan 0.000 0.495 280 N N -1.215 117.398 118.700 -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 0.877 39.273 38.487 -0.151 0.000 1.210 280 N HN 1.347 nan 8.380 nan 0.000 0.547 281 L N -3.580 117.611 121.223 -0.052 0.000 3.121 281 L HA -0.222 4.118 4.340 -0.000 0.000 0.404 281 L C -1.057 176.092 176.870 0.465 0.000 0.695 281 L CA 1.670 56.625 54.840 0.192 0.000 3.096 281 L CB -1.592 40.505 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 0.547 5.097 4.550 -0.000 0.000 0.327 282 Y C 1.064 176.972 175.900 0.014 0.000 1.172 282 Y CA -0.597 57.380 58.100 -0.205 0.000 1.280 282 Y CB 0.409 38.275 38.460 -0.990 0.000 1.234 282 Y HN 0.180 nan 8.280 nan 0.000 0.512 283 R N 3.676 124.273 120.500 0.162 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 0.192 30.525 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.158 123.585 120.300 0.213 0.000 2.486 284 Y HA 0.041 4.591 4.550 -0.000 0.000 0.348 284 Y C 1.453 177.435 175.900 0.136 0.000 1.000 284 Y CA -0.236 58.005 58.100 0.235 0.000 1.253 284 Y CB 0.643 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 0.765 177.759 176.870 0.207 0.000 1.094 285 L CA 0.603 55.517 54.840 0.125 0.000 0.790 285 L CB -0.120 41.931 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.984 113.898 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 286 S C -0.613 174.187 174.600 0.333 0.000 1.149 286 S CA -0.680 57.670 58.200 0.250 0.000 0.837 286 S CB 2.373 65.771 63.200 0.329 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 1.957 116.618 114.554 0.179 0.000 2.881 287 T HA 0.609 4.958 4.350 -0.000 0.000 0.290 287 T C -0.947 173.739 174.700 -0.024 0.000 1.000 287 T CA -0.415 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 -0.350 175.633 176.117 -0.224 0.000 1.014 288 I CA -0.968 60.301 61.300 -0.052 0.000 1.093 288 I CB 1.739 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 1.380 20.210 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.346 123.390 119.914 0.218 0.000 2.370 290 V HA 0.305 4.425 4.120 -0.000 0.000 0.283 290 V C -0.654 175.657 176.094 0.361 0.000 1.023 290 V CA -0.381 62.095 62.300 0.293 0.000 0.857 290 V CB 1.169 33.132 31.823 0.233 0.000 0.985 290 V HN 0.778 nan 8.190 nan 0.000 0.443 291 F N 5.325 125.394 119.950 0.198 0.000 2.451 291 F HA 0.361 4.888 4.527 0.000 0.000 0.356 291 F C 0.468 176.174 175.800 -0.156 0.000 1.178 291 F CA -1.823 56.205 58.000 0.046 0.000 1.210 291 F CB 0.142 39.186 39.000 0.073 0.000 1.504 291 F HN 0.604 nan 8.300 nan 0.000 0.598 292 D N 4.109 124.511 120.400 0.002 0.000 2.435 292 D HA -0.030 4.610 4.640 -0.000 0.000 0.230 292 D C -0.062 175.913 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.517 0.000 0.947 292 D CB -0.320 40.422 40.800 -0.097 0.000 1.048 292 D HN 0.256 nan 8.370 nan 0.000 0.512 293 N N 2.852 120.977 118.700 -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 0.449 52.983 53.050 -0.860 0.000 1.192 293 N CB -0.467 37.307 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.813 109.416 108.800 -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 0.464 175.231 174.900 -0.221 0.000 0.984 295 G CA 0.695 45.695 45.100 -0.167 0.000 0.633 295 G HN 1.746 nan 8.290 nan 0.000 0.525 296 S N 0.075 115.513 115.700 -0.436 0.000 2.489 296 S HA 0.768 5.238 4.470 -0.000 0.000 0.291 296 S C -0.819 173.375 174.600 -0.676 0.000 1.151 296 S CA -0.332 57.659 58.200 -0.347 0.000 1.082 296 S CB 0.905 63.939 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.977 122.825 119.950 -0.170 0.000 2.445 297 F HA 0.438 4.965 4.527 -0.000 0.000 0.348 297 F C 0.461 176.203 175.800 -0.097 0.000 1.125 297 F CA -0.852 57.058 58.000 -0.150 0.000 0.983 297 F CB 1.160 40.072 39.000 -0.146 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.428 120.130 118.700 0.002 0.000 2.430 298 N HA 0.511 5.251 4.740 -0.000 0.000 0.298 298 N C -0.454 175.127 175.510 0.118 0.000 1.130 298 N CA -0.701 52.371 53.050 0.038 0.000 0.894 298 N CB 2.173 40.647 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.494 123.379 122.820 0.108 0.000 3.063 299 A HA 0.470 4.790 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 0.278 52.396 52.037 0.136 0.000 1.408 299 A CB -1.396 17.662 19.000 0.097 0.000 1.108 299 A HN 0.907 nan 8.150 nan 0.000 0.621 300 G N 1.024 109.998 108.800 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 1.286 176.274 174.900 0.147 0.000 0.984 300 G CA 1.564 46.827 45.100 0.272 0.000 0.626 300 G HN 1.505 nan 8.290 nan 0.000 0.540 301 T N -0.719 113.902 114.554 0.112 0.000 3.051 301 T HA 0.071 4.421 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 1.797 63.938 62.100 0.068 0.000 1.107 301 T CB -0.187 68.710 68.868 0.047 0.000 0.898 301 T HN 0.613 nan 8.240 nan 0.000 0.517 302 D N 0.364 120.808 120.400 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 -0.490 53.561 54.000 0.084 0.000 0.834 302 D CB -0.248 40.563 40.800 0.018 0.000 0.953 302 D HN 0.470 nan 8.370 nan 0.000 0.505 303 I N 0.449 121.058 120.570 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 -0.875 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 3.711 122.312 118.700 -0.165 0.000 2.197 304 N HA 0.012 4.752 4.740 -0.000 0.000 0.184 304 N C -0.588 174.922 175.510 0.001 0.000 1.030 304 N CA 1.387 54.384 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 -1.921 118.296 120.300 -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 1.701 122.832 121.223 -0.152 0.000 2.333 306 L HA 0.929 5.269 4.340 -0.000 0.000 0.263 306 L C -0.095 176.628 176.870 -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 0.567 5.037 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 -0.049 0.000 0.815 307 S CB 1.540 64.749 63.200 0.015 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 -0.995 175.019 176.000 0.024 0.000 1.032 308 Q CA -0.596 55.234 55.803 0.046 0.000 0.784 308 Q CB 2.335 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 0.570 4.910 4.340 -0.000 0.000 0.283 309 R C -1.293 175.017 176.300 0.017 0.000 0.978 309 R CA -0.305 55.799 56.100 0.008 0.000 0.897 309 R CB 1.958 32.255 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.256 116.804 114.554 -0.009 0.000 2.794 310 T HA 0.420 4.770 4.350 -0.000 0.000 0.280 310 T C -0.286 174.411 174.700 -0.005 0.000 0.987 310 T CA -0.456 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.520 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 2.984 125.806 122.820 0.004 0.000 2.545 311 A HA 0.474 4.794 4.320 -0.000 0.000 0.253 311 A C 1.330 178.912 177.584 -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 -1.079 117.616 118.700 -0.009 0.000 2.818 312 N HA 0.108 4.848 4.740 -0.000 0.000 0.250 312 N C 0.439 175.941 175.510 -0.013 0.000 1.108 312 N CA 2.239 55.284 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 1.467 177.238 175.800 -0.049 0.000 1.144 313 F CA 1.325 59.302 58.000 -0.038 0.000 1.030 313 F CB -0.439 38.530 39.000 -0.051 0.000 1.366 313 F HN 1.794 nan 8.300 nan 0.000 0.522 314 S N 0.106 115.783 115.700 -0.038 0.000 3.307 314 S HA -0.183 4.287 4.470 -0.000 0.000 0.634 314 S C -0.546 174.026 174.600 -0.046 0.000 2.711 314 S CA 0.840 59.015 58.200 -0.041 0.000 2.940 314 S CB -1.277 61.895 63.200 -0.046 0.000 0.331 314 S HN 0.780 nan 8.310 nan 0.000 1.766 315 D N 1.309 121.678 120.400 -0.051 0.000 2.308 315 D HA 0.330 4.970 4.640 -0.000 0.000 0.251 315 D C 1.215 177.484 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.595 54.000 -0.048 0.000 0.876 315 D CB 1.251 42.013 40.800 -0.063 0.000 1.176 315 D HN 0.710 nan 8.370 nan 0.000 0.446 316 T N -0.716 113.812 114.554 -0.043 0.000 3.044 316 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 316 T C 0.945 175.625 174.700 -0.033 0.000 1.081 316 T CA -0.262 61.806 62.100 -0.053 0.000 1.040 316 T CB 0.179 69.005 68.868 -0.071 0.000 0.962 316 T HN 0.602 nan 8.240 nan 0.000 0.506 317 R N 0.296 120.795 120.500 -0.002 0.000 2.747 317 R HA 0.305 4.645 4.340 -0.000 0.000 0.200 317 R C -0.912 175.453 176.300 0.110 0.000 1.438 317 R CA -0.657 55.459 56.100 0.028 0.000 1.334 317 R CB -0.335 29.959 30.300 -0.009 0.000 1.523 317 R HN 0.088 nan 8.270 nan 0.000 0.741 318 K N 2.948 123.366 120.400 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 56.122 56.287 -0.008 0.000 0.922 318 K CB 0.523 32.905 32.500 -0.196 0.000 1.057 318 K HN 0.450 nan 8.250 nan 0.000 0.479 319 L N 3.356 124.686 121.223 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 53.601 54.840 0.208 0.000 0.817 319 L CB 2.065 44.322 42.059 0.329 0.000 1.338 319 L HN 0.755 nan 8.230 nan 0.000 0.414 320 D N 0.585 121.088 120.400 0.171 0.000 2.368 320 D HA 0.131 4.771 4.640 -0.000 0.000 0.240 320 D C -2.115 174.299 176.300 0.190 0.000 1.169 320 D CA -1.141 52.954 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 -0.945 119.586 120.400 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 0.201 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 1.143 175.977 174.700 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 68.744 68.868 0.136 0.000 0.879 323 T HN 0.445 nan 8.240 nan 0.000 0.467 324 W N 2.175 123.546 121.300 0.119 0.000 2.358 324 W HA -0.073 4.587 4.660 -0.000 0.000 0.303 324 W C 2.448 179.086 176.519 0.200 0.000 1.208 324 W CA 1.246 58.683 57.345 0.153 0.000 1.274 324 W CB -0.569 28.992 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.879 123.993 122.820 0.489 0.000 1.972 325 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 325 A C 2.178 179.882 177.584 0.200 0.000 1.169 325 A CA 2.490 54.747 52.037 0.367 0.000 0.635 325 A CB -1.198 17.993 19.000 0.318 0.000 0.810 325 A HN 0.290 nan 8.150 nan 0.000 0.446 326 A N -0.837 122.074 122.820 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 1.604 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 57.777 55.803 -0.034 0.000 0.850 327 Q CB -0.915 27.718 28.738 -0.174 0.000 0.901 327 Q HN 0.654 nan 8.270 nan 0.000 0.429 328 T N 1.008 115.615 114.554 0.089 0.000 2.821 328 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 328 T C 1.804 176.567 174.700 0.105 0.000 1.046 328 T CA 0.739 62.965 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 0.729 121.269 120.500 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 56.893 56.100 0.018 0.000 0.982 329 R CB -0.080 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 1.871 178.187 176.300 0.027 0.000 1.074 330 R CA 0.752 56.864 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 0.151 4.491 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 0.770 56.907 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 -3.944 116.571 120.570 -0.092 0.000 4.050 332 I HA 0.479 4.649 4.170 -0.000 0.000 0.327 332 I C 0.479 176.502 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.284 61.300 -0.182 0.000 1.124 332 I CB 0.882 38.638 38.000 -0.407 0.000 1.129 332 I HN -0.037 nan 8.210 nan 0.000 0.428 333 A N 0.252 123.014 122.820 -0.096 0.000 2.861 333 A HA -0.215 4.105 4.320 -0.000 0.000 0.261 333 A C 0.640 178.175 177.584 -0.082 0.000 1.351 333 A CA 1.681 53.674 52.037 -0.074 0.000 0.904 333 A CB -2.303 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 -1.864 112.622 114.554 -0.114 0.000 2.654 334 T HA 0.492 4.842 4.350 -0.000 0.000 0.303 334 T C -2.140 172.478 174.700 -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 0.622 120.962 120.400 -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 41.575 40.800 0.019 0.000 1.187 335 D HN 0.288 nan 8.370 nan 0.000 0.443 336 F N 0.728 120.610 119.950 -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 -1.320 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 -1.111 176.215 177.300 0.044 0.000 1.238 337 P CA -0.291 62.867 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 1.271 177.929 176.600 0.097 0.000 1.008 338 K CA 1.234 57.556 56.287 0.060 0.000 1.050 338 K CB -0.731 31.825 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.193 110.002 108.800 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 0.009 174.862 174.900 -0.078 0.000 0.977 339 G CA 0.042 45.216 45.100 0.123 0.000 0.641 339 G HN 0.427 nan 8.290 nan 0.000 0.533 340 V N 1.062 120.759 119.914 -0.361 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 61.294 62.300 -0.341 0.000 0.860 340 V CB 0.797 32.397 31.823 -0.371 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.304 124.654 120.300 0.084 0.000 2.364 341 Y HA 0.610 5.160 4.550 -0.000 0.000 0.340 341 Y C -0.470 175.625 175.900 0.325 0.000 0.975 341 Y CA -0.826 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.693 40.245 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.393 122.990 120.300 0.496 0.000 2.468 342 Y HA 0.681 5.231 4.550 0.000 0.000 0.342 342 Y C -1.137 175.052 175.900 0.481 0.000 1.021 342 Y CA -1.806 56.485 58.100 0.318 0.000 1.079 342 Y CB 1.701 40.265 38.460 0.173 0.000 1.226 342 Y HN 0.805 nan 8.280 nan 0.000 0.460 343 C N 6.563 125.597 119.300 -0.443 0.000 2.516 343 C HA 0.373 4.833 4.460 -0.000 0.000 0.338 343 C C -1.381 173.204 174.990 -0.675 0.000 1.132 343 C CA -0.691 58.119 59.018 -0.347 0.000 1.310 343 C CB 0.005 27.931 27.740 0.310 0.000 1.898 343 C HN 0.890 nan 8.230 nan 0.000 0.452 344 D N 3.956 124.043 120.400 -0.522 0.000 2.274 344 D HA 0.326 4.966 4.640 -0.000 0.000 0.239 344 D C 0.041 176.306 176.300 -0.058 0.000 1.104 344 D CA 0.233 54.103 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 3.380 122.091 118.700 0.020 0.000 2.451 345 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 345 N C 1.068 176.617 175.510 0.065 0.000 1.410 345 N CA -0.149 52.929 53.050 0.046 0.000 0.884 345 N CB 0.709 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 0.481 121.027 120.500 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 1.134 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 0.425 120.855 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 347 D C 0.192 176.519 176.300 0.045 0.000 0.965 347 D CA 1.262 55.287 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 0.793 121.227 120.400 0.056 0.000 2.814 348 K HA 0.288 4.608 4.320 -0.000 0.000 0.205 348 K C -2.769 173.885 176.600 0.091 0.000 1.093 348 K CA -1.437 54.897 56.287 0.078 0.000 1.035 348 K CB 2.538 35.094 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 -0.091 177.307 177.300 0.163 0.000 1.195 349 P CA -0.204 62.964 63.100 0.114 0.000 0.768 349 P CB 0.451 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 -0.027 176.266 176.117 0.292 0.000 1.134 350 I CA 0.400 61.742 61.300 0.070 0.000 1.410 350 I CB -1.179 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 5.949 126.307 120.300 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 0.101 0.000 1.228 351 Y CB 1.242 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 -0.074 114.361 114.554 -0.199 0.000 2.778 352 T HA -0.233 4.117 4.350 -0.000 0.000 0.269 352 T C 1.775 176.268 174.700 -0.345 0.000 1.050 352 T CA 1.863 63.839 62.100 -0.206 0.000 1.137 352 T CB -0.764 68.020 68.868 -0.140 0.000 0.860 352 T HN 0.708 nan 8.240 nan 0.000 0.468 353 L N 0.354 121.133 121.223 -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 1.343 55.850 54.840 -0.555 0.000 0.962 353 L CB -1.691 39.968 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.338 117.287 119.800 -0.293 0.000 2.519 354 Q HA 0.116 4.456 4.340 -0.000 0.000 0.248 354 Q C 0.081 175.803 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.860 55.803 -0.314 0.000 0.979 354 Q CB 0.969 29.566 28.738 -0.234 0.000 1.282 354 Q HN 0.662 nan 8.270 nan 0.000 0.558 355 Y N 0.266 120.550 120.300 -0.026 0.000 2.712 355 Y HA 0.438 4.988 4.550 -0.000 0.000 0.250 355 Y C 0.498 176.377 175.900 -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 39.669 38.460 -0.005 0.000 1.203 355 Y HN 0.335 nan 8.280 nan 0.000 0.587 356 G N 1.191 110.021 108.800 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 0.205 4.945 4.740 -0.000 0.000 0.277 357 N C -0.042 175.491 175.510 0.039 0.000 1.362 357 N CA 0.141 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 1.205 121.163 119.914 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 61.617 62.300 0.116 0.000 0.905 358 V CB 1.930 33.775 31.823 0.035 0.000 0.997 358 V HN 0.734 nan 8.190 nan 0.000 0.436 359 G N 1.805 110.750 108.800 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 44.617 45.100 0.212 0.000 0.952 359 G HN 0.476 nan 8.290 nan 0.000 0.477 360 F N 1.778 121.747 119.950 0.031 0.000 2.408 360 F HA 0.645 5.172 4.527 -0.000 0.000 0.344 360 F C -0.262 175.521 175.800 -0.029 0.000 1.112 360 F CA -0.514 57.526 58.000 0.066 0.000 1.096 360 F CB 1.705 40.684 39.000 -0.036 0.000 1.129 360 F HN 0.274 nan 8.300 nan 0.000 0.486 361 V N 6.500 126.101 119.914 -0.523 0.000 2.555 361 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 361 V C -0.860 174.990 176.094 -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 3.947 123.729 119.914 -0.220 0.000 2.482 362 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 362 V C -0.366 175.512 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.331 0.000 0.856 362 V CB 1.934 33.586 31.823 -0.284 0.000 1.001 362 V HN 0.893 nan 8.190 nan 0.000 0.424 363 N N 7.142 125.483 118.700 -0.598 0.000 2.546 363 N HA 0.366 5.106 4.740 -0.000 0.000 0.238 363 N C -2.722 172.493 175.510 -0.491 0.000 0.984 363 N CA -1.613 51.070 53.050 -0.612 0.000 0.935 363 N CB 2.468 40.274 38.487 -1.135 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.146 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 -0.178 62.783 63.100 -0.231 0.000 0.789 364 P CB 2.068 33.627 31.700 -0.235 0.000 0.933 365 K N 1.472 121.846 120.400 -0.044 0.000 2.202 365 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 365 K C -0.008 176.591 176.600 -0.001 0.000 1.051 365 K CA 0.911 57.183 56.287 -0.025 0.000 0.977 365 K CB 0.312 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 -1.457 173.275 174.700 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 0.018 0.000 2.409 367 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 367 V C -0.226 175.845 176.094 -0.038 0.000 1.017 367 V CA -1.114 61.202 62.300 0.027 0.000 0.841 367 V CB 1.478 33.311 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 -0.012 175.451 175.510 -0.078 0.000 1.238 368 N CA -0.513 52.478 53.050 -0.098 0.000 0.972 368 N CB 0.735 39.132 38.487 -0.149 0.000 1.210 368 N HN 0.770 nan 8.380 nan 0.000 0.547 369 Q N 0.527 120.287 119.800 -0.068 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 0.078 55.850 55.803 -0.051 0.000 0.886 369 Q CB 0.199 28.913 28.738 -0.039 0.000 1.243 369 Q HN 0.438 nan 8.270 nan 0.000 0.415 370 N N 0.224 118.898 118.700 -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 53.969 53.050 -0.037 0.000 0.711 370 N CB -1.670 36.797 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 0.672 4.992 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 0.218 52.235 52.037 -0.032 0.000 0.794 371 A CB 0.628 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 0.655 121.179 120.500 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 31.141 30.300 0.047 0.000 1.263 372 R HN 0.452 nan 8.270 nan 0.000 0.475 373 L N 2.463 123.726 121.223 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 1.676 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 4.730 126.076 121.223 0.204 0.000 2.262 374 L HA 0.430 4.770 4.340 -0.000 0.000 0.288 374 L C -0.124 176.846 176.870 0.166 0.000 1.035 374 L CA -0.284 54.710 54.840 0.256 0.000 0.820 374 L CB 1.149 43.480 42.059 0.454 0.000 1.204 374 L HN 0.484 nan 8.230 nan 0.000 0.424 375 M N 2.440 122.038 119.600 -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 1.462 33.835 32.600 -0.379 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 0.690 4.650 3.960 -0.000 0.000 0.305 376 G HA3 0.690 4.650 3.960 -0.000 0.000 0.305 376 G C -2.020 172.417 174.900 -0.771 0.000 1.387 376 G CA -0.257 44.163 45.100 -1.134 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 0.580 5.130 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 -0.953 57.364 58.100 0.361 0.000 1.044 377 Y CB 2.710 41.506 38.460 0.561 0.000 1.245 377 Y HN 0.454 nan 8.280 nan 0.000 0.461 378 E N 2.447 122.971 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 -0.000 0.000 0.267 378 E C -1.772 174.986 176.600 0.262 0.000 0.893 378 E CA -0.709 55.847 56.400 0.260 0.000 0.761 378 E CB 1.496 31.381 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.294 121.591 120.300 -0.005 0.000 2.670 379 Y HA 0.625 5.175 4.550 -0.000 0.000 0.334 379 Y C -1.844 173.998 175.900 -0.097 0.000 1.185 379 Y CA -1.447 56.559 58.100 -0.157 0.000 1.053 379 Y CB 0.731 38.953 38.460 -0.397 0.000 1.298 379 Y HN 0.186 nan 8.280 nan 0.000 0.459 380 F N 0.634 120.687 119.950 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 57.160 58.000 0.077 0.000 0.944 380 F CB 2.197 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 0.769 115.462 114.554 0.232 0.000 2.886 381 T HA 0.407 4.757 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 1.007 69.903 68.868 0.046 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.260 118.000 115.700 0.067 0.000 2.564 382 S HA 0.241 4.711 4.470 -0.000 0.000 0.278 382 S C 1.481 176.099 174.600 0.030 0.000 1.333 382 S CA -0.570 57.649 58.200 0.031 0.000 1.048 382 S CB 0.931 64.153 63.200 0.037 0.000 0.900 382 S HN 0.660 nan 8.310 nan 0.000 0.505 383 R N 1.138 121.643 120.500 0.008 0.000 2.115 383 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 383 R C 1.302 177.616 176.300 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 29.849 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