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 1hx6_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 -0.605 119.894 120.500 -0.003 0.000 3.520 16 R HA -0.191 4.149 4.340 -0.000 0.000 0.595 16 R C 1.239 177.536 176.300 -0.006 0.000 0.241 16 R CA 2.648 58.746 56.100 -0.004 0.000 1.835 16 R CB -2.427 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 -2.121 116.574 118.700 -0.008 0.000 1.978 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 0.677 17 N CA 2.737 55.780 53.050 -0.012 0.000 4.021 17 N CB -1.336 37.143 38.487 -0.012 0.000 0.740 17 N HN 1.040 nan 8.380 nan 0.000 0.276 18 Q N 1.626 121.419 119.800 -0.011 0.000 2.133 18 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 18 Q C 2.178 178.171 176.000 -0.011 0.000 0.991 18 Q CA 2.902 58.698 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 0.787 nan 8.270 nan 0.000 0.417 19 Q N -1.720 118.074 119.800 -0.009 0.000 2.212 19 Q HA 0.084 4.424 4.340 -0.000 0.000 0.199 19 Q C 2.030 178.025 176.000 -0.010 0.000 0.950 19 Q CA 0.937 56.736 55.803 -0.008 0.000 0.863 19 Q CB -0.305 28.430 28.738 -0.005 0.000 0.944 19 Q HN 0.340 nan 8.270 nan 0.000 0.465 20 A N 1.830 124.643 122.820 -0.011 0.000 1.877 20 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 20 A C 2.232 179.804 177.584 -0.019 0.000 1.186 20 A CA 1.550 53.579 52.037 -0.013 0.000 0.620 20 A CB -0.527 18.464 19.000 -0.014 0.000 0.822 20 A HN 0.355 nan 8.150 nan 0.000 0.443 21 M N -0.620 118.966 119.600 -0.024 0.000 2.132 21 M HA -0.093 4.387 4.480 -0.000 0.000 0.263 21 M C 2.537 178.822 176.300 -0.026 0.000 1.065 21 M CA 1.307 56.588 55.300 -0.032 0.000 1.122 21 M CB -0.417 32.162 32.600 -0.035 0.000 1.365 21 M HN 0.471 nan 8.290 nan 0.000 0.411 22 A N 0.518 123.327 122.820 -0.019 0.000 1.933 22 A HA -0.063 4.257 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 1.970 53.999 52.037 -0.014 0.000 0.628 22 A CB -0.849 18.145 19.000 -0.011 0.000 0.814 22 A HN 0.497 nan 8.150 nan 0.000 0.444 23 A N 0.138 122.951 122.820 -0.011 0.000 1.897 23 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 23 A C 1.941 179.521 177.584 -0.008 0.000 1.181 23 A CA 1.909 53.942 52.037 -0.006 0.000 0.620 23 A CB -0.738 18.260 19.000 -0.004 0.000 0.821 23 A HN 0.649 nan 8.150 nan 0.000 0.443 24 N N 0.188 118.880 118.700 -0.015 0.000 2.043 24 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 24 N C 1.583 177.082 175.510 -0.019 0.000 1.037 24 N CA 1.930 54.968 53.050 -0.019 0.000 0.851 24 N CB -0.409 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 -0.074 121.135 121.223 -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 1.183 56.011 54.840 -0.020 0.000 0.748 25 L CB -0.716 41.331 42.059 -0.020 0.000 0.891 25 L HN 0.364 nan 8.230 nan 0.000 0.431 26 Q N 0.209 120.004 119.800 -0.007 0.000 2.084 26 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 26 Q C 2.314 178.315 176.000 0.002 0.000 0.978 26 Q CA 2.061 57.862 55.803 -0.003 0.000 0.844 26 Q CB -0.208 28.529 28.738 -0.002 0.000 0.898 26 Q HN 0.519 nan 8.270 nan 0.000 0.426 27 A N 0.887 123.709 122.820 0.004 0.000 1.902 27 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 27 A C 2.194 179.786 177.584 0.014 0.000 1.181 27 A CA 1.570 53.615 52.037 0.012 0.000 0.623 27 A CB -0.598 18.412 19.000 0.016 0.000 0.818 27 A HN 0.371 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 2.316 178.619 176.300 0.006 0.000 1.137 28 R CA 2.025 58.128 56.100 0.005 0.000 0.951 28 R CB -0.372 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 -0.156 4.184 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 1.861 57.665 55.803 0.001 0.000 0.850 29 Q CB -0.113 28.624 28.738 -0.002 0.000 0.901 29 Q HN 0.452 nan 8.270 nan 0.000 0.422 30 I N -0.184 120.391 120.570 0.009 0.000 2.226 30 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 30 I C 2.192 178.322 176.117 0.020 0.000 1.100 30 I CA 0.781 62.089 61.300 0.013 0.000 1.374 30 I CB -0.272 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 1.195 121.126 119.914 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 1.788 64.112 62.300 0.039 0.000 1.024 31 V CB -0.458 31.394 31.823 0.047 0.000 0.648 31 V HN 0.362 nan 8.190 nan 0.000 0.447 32 L N -0.382 120.848 121.223 0.011 0.000 2.083 32 L HA -0.246 4.094 4.340 -0.000 0.000 0.209 32 L C 2.627 179.491 176.870 -0.010 0.000 1.083 32 L CA 2.020 56.856 54.840 -0.006 0.000 0.752 32 L CB -0.560 41.491 42.059 -0.013 0.000 0.899 32 L HN 0.442 nan 8.230 nan 0.000 0.433 33 Q N -0.620 119.181 119.800 0.001 0.000 2.083 33 Q HA -0.191 4.149 4.340 -0.000 0.000 0.198 33 Q C 2.146 178.158 176.000 0.019 0.000 0.969 33 Q CA 1.129 56.934 55.803 0.004 0.000 0.838 33 Q CB 0.220 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 0.267 120.083 119.800 0.027 0.000 2.297 34 Q HA 0.059 4.399 4.340 -0.000 0.000 0.203 34 Q C 1.234 177.274 176.000 0.068 0.000 0.931 34 Q CA 0.706 56.534 55.803 0.042 0.000 0.885 34 Q CB 0.480 29.236 28.738 0.031 0.000 0.991 34 Q HN 0.333 nan 8.270 nan 0.000 0.498 35 S N -0.481 115.259 115.700 0.067 0.000 2.634 35 S HA 0.315 4.785 4.470 -0.000 0.000 0.261 35 S C -0.595 174.072 174.600 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 64.025 63.200 0.085 0.000 0.968 35 S HN 0.209 nan 8.310 nan 0.000 0.568 36 Y N 1.669 121.973 120.300 0.007 0.000 2.361 36 Y HA 0.508 5.058 4.550 -0.000 0.000 0.337 36 Y C -2.575 173.288 175.900 -0.061 0.000 0.965 36 Y CA -2.252 55.835 58.100 -0.021 0.000 1.091 36 Y CB 2.048 40.498 38.460 -0.017 0.000 1.182 36 Y HN 0.556 nan 8.280 nan 0.000 0.450 37 P HA 0.196 nan 4.420 nan 0.000 0.276 37 P C -1.284 175.873 177.300 -0.239 0.000 1.230 37 P CA 0.097 63.000 63.100 -0.327 0.000 0.776 37 P CB 1.954 33.443 31.700 -0.352 0.000 0.888 38 V N 4.840 124.548 119.914 -0.343 0.000 2.789 38 V HA 0.452 4.572 4.120 -0.000 0.000 0.311 38 V C 0.086 175.998 176.094 -0.303 0.000 1.073 38 V CA -0.764 61.328 62.300 -0.346 0.000 0.921 38 V CB 2.442 33.874 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 0.344 0.000 2.331 40 Q HA 0.302 4.642 4.340 -0.000 0.000 0.272 40 Q C -1.355 174.871 176.000 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 31.185 28.738 0.370 0.000 1.312 40 Q HN 0.722 nan 8.270 nan 0.000 0.431 41 Q N 2.100 122.057 119.800 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 -0.698 119.497 120.200 -0.009 0.000 2.400 43 E HA 0.492 4.842 4.350 -0.000 0.000 0.285 43 E C -1.542 175.010 176.600 -0.081 0.000 1.005 43 E CA -0.139 56.255 56.400 -0.010 0.000 0.816 43 E CB 2.257 32.005 29.700 0.080 0.000 1.220 43 E HN 0.220 nan 8.360 nan 0.000 0.426 44 T N 2.387 116.827 114.554 -0.189 0.000 2.912 44 T HA 0.555 4.904 4.350 -0.000 0.000 0.299 44 T C -1.737 172.664 174.700 -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 1.915 121.226 119.800 -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 3.493 117.911 114.554 -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 61.611 62.100 -0.161 0.000 0.977 46 T CB 0.524 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 -0.582 119.269 119.950 -0.165 0.000 2.779 47 F HA 0.735 5.262 4.527 0.000 0.000 0.316 47 F C -1.818 173.963 175.800 -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 2.255 122.738 120.400 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 2.324 43.176 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 0.458 63.718 63.100 0.267 0.000 0.765 49 P CB 0.268 31.999 31.700 0.052 0.000 0.783 50 A N 0.119 123.050 122.820 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 1.309 53.437 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 -0.474 118.309 118.700 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 53.985 53.050 0.103 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 -1.256 119.310 120.500 0.110 0.000 2.663 52 R HA 0.484 4.824 4.340 -0.000 0.000 0.267 52 R C -0.625 175.670 176.300 -0.008 0.000 1.038 52 R CA -0.564 55.504 56.100 -0.053 0.000 0.886 52 R CB 0.946 31.114 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 -0.306 174.299 174.600 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 2.853 122.534 119.914 -0.387 0.000 2.448 54 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 54 V C -1.351 174.336 176.094 -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 32.695 31.823 -0.236 0.000 0.988 54 V HN 0.424 nan 8.190 nan 0.000 0.431 55 F N 2.134 122.009 119.950 -0.126 0.000 2.565 55 F HA 0.504 5.031 4.527 -0.000 0.000 0.313 55 F C -0.086 175.630 175.800 -0.140 0.000 1.091 55 F CA -0.824 57.105 58.000 -0.119 0.000 0.915 55 F CB 1.971 40.918 39.000 -0.088 0.000 1.208 55 F HN 0.383 nan 8.300 nan 0.000 0.453 56 D N 2.673 123.102 120.400 0.049 0.000 2.441 56 D HA 0.361 5.001 4.640 -0.000 0.000 0.231 56 D C -1.162 175.141 176.300 0.005 0.000 1.073 56 D CA -0.094 53.892 54.000 -0.023 0.000 0.850 56 D CB 1.656 42.418 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 0.696 176.750 176.094 -0.067 0.000 1.050 57 V CA -0.238 62.044 62.300 -0.031 0.000 0.981 57 V CB 1.652 33.426 31.823 -0.081 0.000 0.990 57 V HN 0.529 nan 8.190 nan 0.000 0.474 58 T N 7.433 121.973 114.554 -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 -0.024 0.000 0.954 58 T CB 1.030 69.889 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 -0.654 176.700 177.300 0.089 0.000 1.256 59 P CA -0.658 62.522 63.100 0.133 0.000 0.795 59 P CB 0.677 32.575 31.700 0.331 0.000 1.038 60 A N 1.709 124.572 122.820 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 -0.483 51.546 52.037 -0.013 0.000 0.800 60 A CB -0.448 18.513 19.000 -0.064 0.000 1.045 60 A HN 0.469 nan 8.150 nan 0.000 0.489 61 N N 1.413 120.082 118.700 -0.052 0.000 2.719 61 N HA 0.322 5.062 4.740 -0.000 0.000 0.243 61 N C -1.165 174.281 175.510 -0.106 0.000 1.104 61 N CA 0.157 53.174 53.050 -0.056 0.000 0.981 61 N CB 1.119 39.589 38.487 -0.029 0.000 1.290 61 N HN 0.416 nan 8.380 nan 0.000 0.513 62 V N 0.515 120.312 119.914 -0.196 0.000 2.733 62 V HA 0.698 4.818 4.120 -0.000 0.000 0.306 62 V C 0.729 176.719 176.094 -0.173 0.000 1.084 62 V CA 0.231 62.395 62.300 -0.227 0.000 0.905 62 V CB 1.032 32.616 31.823 -0.397 0.000 1.010 62 V HN 0.787 nan 8.190 nan 0.000 0.424 63 G N 6.247 115.033 108.800 -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 -0.082 174.850 174.900 0.055 0.000 1.273 63 G CA 0.579 45.722 45.100 0.073 0.000 0.974 63 G HN 1.236 nan 8.290 nan 0.000 0.552 64 I N 0.745 121.383 120.570 0.113 0.000 2.312 64 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 64 I C 0.387 176.564 176.117 0.100 0.000 1.008 64 I CA -0.719 60.629 61.300 0.080 0.000 1.226 64 I CB 1.572 39.617 38.000 0.076 0.000 1.371 64 I HN 0.316 nan 8.210 nan 0.000 0.468 65 V N 7.688 127.624 119.914 0.036 0.000 2.461 65 V HA 0.183 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 -0.296 61.987 62.300 -0.028 0.000 0.955 65 V CB 1.089 32.846 31.823 -0.110 0.000 0.988 65 V HN 0.754 nan 8.190 nan 0.000 0.471 66 K N 2.948 123.300 120.400 -0.080 0.000 2.276 66 K HA 0.456 4.776 4.320 -0.000 0.000 0.198 66 K C 0.814 177.331 176.600 -0.139 0.000 1.052 66 K CA 0.732 57.010 56.287 -0.015 0.000 0.984 66 K CB 0.753 33.330 32.500 0.128 0.000 0.836 66 K HN 0.902 nan 8.250 nan 0.000 0.490 67 G N 0.227 108.726 108.800 -0.501 0.000 2.315 67 G HA2 0.383 4.343 3.960 -0.000 0.000 0.294 67 G HA3 0.383 4.343 3.960 -0.000 0.000 0.294 67 G C -1.983 172.064 174.900 -1.422 0.000 1.300 67 G CA -0.995 43.454 45.100 -1.085 0.000 0.843 67 G HN -0.005 nan 8.290 nan 0.000 0.527 68 F N -0.490 118.869 119.950 -0.984 0.000 2.547 68 F HA 0.653 5.180 4.527 -0.000 0.000 0.316 68 F C -0.232 175.435 175.800 -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 4.511 125.992 121.223 0.430 0.000 2.265 69 L HA 0.709 5.049 4.340 -0.000 0.000 0.289 69 L C -1.058 176.153 176.870 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 0.726 0.000 1.203 69 L HN 0.402 nan 8.230 nan 0.000 0.423 70 V N 5.654 125.867 119.914 0.499 0.000 2.347 70 V HA 0.398 4.518 4.120 -0.000 0.000 0.280 70 V C 0.046 176.338 176.094 0.329 0.000 1.021 70 V CA -0.783 61.749 62.300 0.388 0.000 0.847 70 V CB 1.167 33.150 31.823 0.266 0.000 0.990 70 V HN 0.717 nan 8.190 nan 0.000 0.444 71 K N 4.279 124.788 120.400 0.181 0.000 2.183 71 K HA 0.707 5.027 4.320 -0.000 0.000 0.274 71 K C -1.378 175.221 176.600 -0.002 0.000 1.009 71 K CA -0.388 55.747 56.287 -0.252 0.000 0.888 71 K CB 1.595 33.958 32.500 -0.228 0.000 1.078 71 K HN 0.500 nan 8.250 nan 0.000 0.459 72 V N 3.496 123.392 119.914 -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 1.674 33.703 31.823 0.343 0.000 0.995 72 V HN 1.002 nan 8.190 nan 0.000 0.424 73 T N 1.309 115.879 114.554 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 0.023 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 0.857 123.726 122.820 0.082 0.000 2.594 74 A HA 0.909 5.229 4.320 -0.000 0.000 0.295 74 A C -0.954 176.721 177.584 0.151 0.000 1.071 74 A CA -0.816 51.299 52.037 0.131 0.000 0.685 74 A CB 1.278 20.459 19.000 0.302 0.000 1.285 74 A HN 1.648 nan 8.150 nan 0.000 0.405 75 A N 1.366 124.277 122.820 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 0.379 19.407 19.000 0.047 0.000 1.194 75 A HN 0.748 nan 8.150 nan 0.000 0.479 76 I N 2.088 122.672 120.570 0.023 0.000 2.406 76 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 76 I C -0.256 175.768 176.117 -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 40.328 38.000 -0.138 0.000 1.289 76 I HN 0.562 nan 8.210 nan 0.000 0.441 77 T N 4.431 118.877 114.554 -0.180 0.000 2.771 77 T HA 0.217 4.567 4.350 -0.000 0.000 0.281 77 T C -0.063 174.482 174.700 -0.258 0.000 0.982 77 T CA -0.545 61.450 62.100 -0.175 0.000 0.978 77 T CB 0.827 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 3.196 121.757 118.700 -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 -0.439 52.472 53.050 -0.232 0.000 0.934 78 N CB 0.200 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 1.529 120.153 118.700 -0.127 0.000 2.362 79 N HA -0.060 4.679 4.740 -0.000 0.000 0.204 79 N C -0.236 175.241 175.510 -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 38.250 38.487 -0.087 0.000 1.008 79 N HN 0.641 nan 8.380 nan 0.000 0.472 80 H N 0.031 119.034 119.070 -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 56.212 56.048 -0.084 0.000 1.417 80 H CB 1.179 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 2.173 124.792 122.820 -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 1.931 53.888 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 -4.769 109.943 114.554 0.263 0.000 3.046 82 T HA 0.207 4.557 4.350 -0.000 0.000 0.270 82 T C -0.055 174.726 174.700 0.134 0.000 0.920 82 T CA -0.294 61.914 62.100 0.179 0.000 0.874 82 T CB 0.210 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 1.587 121.859 120.200 0.120 0.000 2.204 83 E HA 0.759 5.109 4.350 -0.000 0.000 0.276 83 E C -0.297 176.192 176.600 -0.185 0.000 0.974 83 E CA -0.478 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 1.885 124.632 122.820 -0.123 0.000 2.247 84 A HA 0.731 5.051 4.320 -0.000 0.000 0.313 84 A C -0.106 177.422 177.584 -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 -4.040 115.837 119.914 -0.061 0.000 3.078 85 V HA 0.953 5.073 4.120 -0.000 0.000 0.311 85 V C -0.239 175.937 176.094 0.136 0.000 1.138 85 V CA -0.328 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 2.467 125.424 122.820 0.230 0.000 2.454 86 A HA 0.846 5.166 4.320 -0.000 0.000 0.302 86 A C -0.554 177.161 177.584 0.218 0.000 1.079 86 A CA -0.992 51.199 52.037 0.256 0.000 0.731 86 A CB 1.463 20.527 19.000 0.108 0.000 1.299 86 A HN 1.109 nan 8.150 nan 0.000 0.413 87 L N 1.890 123.134 121.223 0.035 0.000 2.543 87 L HA 0.118 4.457 4.340 -0.000 0.000 0.285 87 L C 1.478 178.249 176.870 -0.164 0.000 1.236 87 L CA 0.179 54.832 54.840 -0.312 0.000 0.871 87 L CB 0.381 42.293 42.059 -0.245 0.000 1.121 87 L HN 0.998 nan 8.230 nan 0.000 0.501 88 T N -1.868 112.560 114.554 -0.210 0.000 2.770 88 T HA 0.089 4.439 4.350 -0.000 0.000 0.281 88 T C 0.751 175.367 174.700 -0.140 0.000 0.981 88 T CA -0.802 61.194 62.100 -0.174 0.000 0.955 88 T CB 0.798 69.529 68.868 -0.228 0.000 1.060 88 T HN 0.501 nan 8.240 nan 0.000 0.531 89 D N -0.257 120.035 120.400 -0.181 0.000 2.178 89 D HA -0.014 4.626 4.640 -0.000 0.000 0.201 89 D C 1.498 177.941 176.300 0.239 0.000 0.980 89 D CA 1.046 55.030 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 0.164 120.041 119.950 -0.121 0.000 2.473 90 F HA 0.246 4.773 4.527 -0.000 0.000 0.294 90 F C 2.182 177.930 175.800 -0.087 0.000 1.103 90 F CA 0.414 58.378 58.000 -0.060 0.000 1.442 90 F CB -0.908 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 2.644 111.464 108.800 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 -1.144 173.729 174.900 -0.044 0.000 1.286 91 G CA 0.545 45.584 45.100 -0.102 0.000 1.004 91 G HN 0.206 nan 8.290 nan 0.000 0.548 92 P HA 0.049 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 2.262 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 0.075 122.868 122.820 -0.045 0.000 2.172 93 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 93 A C 1.831 179.549 177.584 0.225 0.000 1.154 93 A CA 1.007 53.013 52.037 -0.053 0.000 0.701 93 A CB -0.984 17.876 19.000 -0.233 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.362 118.470 118.700 0.220 0.000 2.268 94 N HA 0.189 4.929 4.740 -0.000 0.000 0.204 94 N C 1.032 176.688 175.510 0.242 0.000 1.124 94 N CA 0.074 53.277 53.050 0.255 0.000 0.838 94 N CB 0.123 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 -0.290 121.110 121.223 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 -0.331 119.689 119.914 0.177 0.000 2.384 96 V HA 0.112 4.232 4.120 -0.000 0.000 0.287 96 V C 0.556 176.559 176.094 -0.151 0.000 1.020 96 V CA -0.416 61.757 62.300 -0.212 0.000 0.850 96 V CB 1.672 33.056 31.823 -0.732 0.000 0.987 96 V HN 0.219 nan 8.190 nan 0.000 0.436 97 Q N 3.631 123.350 119.800 -0.136 0.000 2.062 97 Q HA 0.152 4.492 4.340 -0.000 0.000 0.196 97 Q C 0.323 176.227 176.000 -0.159 0.000 0.967 97 Q CA 1.009 56.773 55.803 -0.065 0.000 0.832 97 Q CB 0.380 29.105 28.738 -0.023 0.000 0.899 97 Q HN 0.603 nan 8.270 nan 0.000 0.442 98 R N -0.820 119.536 120.500 -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 2.575 32.773 30.300 -0.170 0.000 1.236 98 R HN -0.059 nan 8.270 nan 0.000 0.466 99 V N 2.959 122.703 119.914 -0.284 0.000 2.971 99 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 99 V C -1.548 174.428 176.094 -0.197 0.000 1.130 99 V CA -0.598 61.534 62.300 -0.279 0.000 0.964 99 V CB 2.135 33.765 31.823 -0.321 0.000 1.029 99 V HN 0.633 nan 8.190 nan 0.000 0.427 100 I N 5.925 126.397 120.570 -0.163 0.000 2.607 100 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 100 I C -1.828 174.229 176.117 -0.101 0.000 1.129 100 I CA -0.658 60.554 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 6.267 126.414 120.300 -0.254 0.000 2.376 101 Y HA 0.596 5.146 4.550 -0.000 0.000 0.340 101 Y C -1.716 174.055 175.900 -0.215 0.000 0.965 101 Y CA -0.694 57.293 58.100 -0.189 0.000 1.078 101 Y CB 1.294 39.651 38.460 -0.171 0.000 1.193 101 Y HN 0.362 nan 8.280 nan 0.000 0.452 102 Y N 4.663 124.456 120.300 -0.846 0.000 2.364 102 Y HA 0.294 4.844 4.550 -0.000 0.000 0.340 102 Y C -0.090 175.279 175.900 -0.886 0.000 0.975 102 Y CA -1.022 56.741 58.100 -0.561 0.000 1.089 102 Y CB 1.170 39.441 38.460 -0.315 0.000 1.192 102 Y HN 0.719 nan 8.280 nan 0.000 0.454 103 D N 2.724 122.985 120.400 -0.232 0.000 2.451 103 D HA 0.234 4.874 4.640 -0.000 0.000 0.259 103 D C -2.230 174.066 176.300 -0.007 0.000 1.201 103 D CA -2.299 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 -0.066 nan 4.420 nan 0.000 0.221 104 P C -0.008 177.306 177.300 0.023 0.000 1.145 104 P CA 1.046 64.157 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 -1.345 119.088 120.400 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 -0.005 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 1.036 119.773 118.700 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 -1.047 37.457 38.487 0.028 0.000 1.119 106 N HN 0.365 nan 8.380 nan 0.000 0.561 107 Q N 1.200 121.099 119.800 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 0.750 29.540 28.738 0.087 0.000 1.207 107 Q HN 0.116 nan 8.270 nan 0.000 0.426 108 R N 3.051 123.551 120.500 -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 0.220 119.254 119.070 -0.061 0.000 5.067 109 H HA 0.144 4.700 4.556 -0.000 0.000 0.118 109 H C 0.089 175.335 175.328 -0.138 0.000 1.355 109 H CA -0.344 55.680 56.048 -0.039 0.000 0.741 109 H CB 0.262 30.068 29.762 0.072 0.000 1.615 109 H HN 0.381 nan 8.280 nan 0.000 0.266 110 T N 1.525 116.081 114.554 0.003 0.000 2.916 110 T HA 0.085 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 0.471 62.495 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 2.173 122.310 120.200 -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 55.872 56.400 -0.103 0.000 0.777 111 E CB 0.922 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 0.986 115.469 114.554 -0.119 0.000 2.731 112 T HA 0.447 4.797 4.350 -0.000 0.000 0.300 112 T C -0.920 173.644 174.700 -0.225 0.000 1.283 112 T CA -0.221 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 0.001 115.496 115.700 -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 0.859 63.547 63.200 -0.853 0.000 0.944 113 S HN 1.073 nan 8.310 nan 0.000 0.536 114 G N 1.081 109.680 108.800 -0.335 0.000 2.418 114 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 114 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 114 G C 1.323 176.212 174.900 -0.019 0.000 1.158 114 G CA 0.756 45.712 45.100 -0.240 0.000 0.771 114 G HN 0.960 nan 8.290 nan 0.000 0.545 115 W N 0.207 121.463 121.300 -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 57.956 57.345 -0.389 0.000 1.271 115 W CB -1.046 28.141 29.460 -0.454 0.000 1.126 115 W HN 0.416 nan 8.180 nan 0.000 0.535 116 H N 1.261 119.965 119.070 -0.611 0.000 2.326 116 H HA -0.182 4.374 4.556 -0.000 0.000 0.301 116 H C 2.354 177.575 175.328 -0.179 0.000 1.081 116 H CA 1.805 57.627 56.048 -0.376 0.000 1.334 116 H CB -0.130 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 -0.375 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 -1.136 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 -1.319 117.679 119.070 -0.121 0.000 2.353 118 H HA -0.189 4.367 4.556 -0.000 0.000 0.300 118 H C 1.846 177.157 175.328 -0.028 0.000 1.090 118 H CA 2.191 58.164 56.048 -0.125 0.000 1.327 118 H CB -0.353 29.307 29.762 -0.171 0.000 1.383 118 H HN 0.347 nan 8.280 nan 0.000 0.508 119 F N -0.229 119.603 119.950 -0.195 0.000 2.216 119 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 119 F C 2.663 178.394 175.800 -0.114 0.000 1.085 119 F CA 0.860 58.792 58.000 -0.112 0.000 1.326 119 F CB -0.976 38.001 39.000 -0.038 0.000 1.027 119 F HN 0.103 nan 8.300 nan 0.000 0.497 120 V N 0.070 119.970 119.914 -0.023 0.000 2.427 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 120 V C 1.939 177.977 176.094 -0.095 0.000 1.051 120 V CA 1.800 64.072 62.300 -0.047 0.000 1.048 120 V CB -0.839 30.887 31.823 -0.161 0.000 0.666 120 V HN 0.363 nan 8.190 nan 0.000 0.456 121 N N -0.287 118.269 118.700 -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 1.818 54.606 53.050 -0.436 0.000 0.853 121 N CB -0.201 37.623 38.487 -1.106 0.000 1.008 121 N HN 0.416 nan 8.380 nan 0.000 0.424 122 T N 0.591 115.048 114.554 -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 1.196 63.272 62.100 -0.041 0.000 1.146 122 T CB -0.339 68.480 68.868 -0.082 0.000 0.865 122 T HN 0.330 nan 8.240 nan 0.000 0.435 123 A N 1.892 124.686 122.820 -0.042 0.000 1.908 123 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 123 A C 2.276 179.850 177.584 -0.016 0.000 1.181 123 A CA 1.406 53.381 52.037 -0.102 0.000 0.627 123 A CB -0.336 18.564 19.000 -0.167 0.000 0.818 123 A HN 0.295 nan 8.150 nan 0.000 0.445 124 K N -0.658 119.738 120.400 -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 1.414 57.688 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 -0.054 119.748 119.800 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 1.262 57.072 55.803 0.013 0.000 0.857 125 Q CB 0.248 29.045 28.738 0.099 0.000 0.929 125 Q HN 0.440 nan 8.270 nan 0.000 0.453 126 G N -0.573 108.208 108.800 -0.032 0.000 2.141 126 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.242 126 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.242 126 G C -0.067 174.790 174.900 -0.072 0.000 0.982 126 G CA 0.201 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 -1.301 121.474 122.820 -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 -0.743 51.242 52.037 -0.088 0.000 0.674 127 A CB 0.715 19.675 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 5.764 125.723 119.950 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 0.361 58.378 58.000 0.029 0.000 1.232 129 F CB -0.403 38.641 39.000 0.073 0.000 1.044 129 F HN 0.274 nan 8.300 nan 0.000 0.560 130 L N 3.596 124.449 121.223 -0.617 0.000 3.976 130 L HA -0.323 4.017 4.340 -0.000 0.000 0.418 130 L C 0.621 177.338 176.870 -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 39.211 42.059 -0.830 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 0.530 5.000 4.470 -0.000 0.000 0.266 131 S C 0.317 174.868 174.600 -0.082 0.000 1.258 131 S CA -0.033 58.123 58.200 -0.073 0.000 0.990 131 S CB 2.196 65.380 63.200 -0.027 0.000 0.967 131 S HN 0.274 nan 8.310 nan 0.000 0.556 132 S N 1.717 117.386 115.700 -0.053 0.000 2.498 132 S HA 0.449 4.918 4.470 -0.000 0.000 0.324 132 S C -0.046 174.532 174.600 -0.036 0.000 1.071 132 S CA -1.020 57.153 58.200 -0.045 0.000 1.113 132 S CB -0.422 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 4.124 123.695 119.600 -0.048 0.000 2.240 133 M HA 0.544 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 2.627 122.527 119.914 -0.022 0.000 2.439 134 V HA 0.602 4.722 4.120 -0.000 0.000 0.282 134 V C 0.466 176.550 176.094 -0.017 0.000 1.039 134 V CA -0.164 62.129 62.300 -0.011 0.000 0.913 134 V CB 1.184 33.005 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 0.254 174.957 174.700 0.006 0.000 1.113 135 T CA -0.285 61.806 62.100 -0.014 0.000 1.008 135 T CB 1.905 70.750 68.868 -0.038 0.000 1.259 135 T HN 0.628 nan 8.240 nan 0.000 0.520 136 D N -0.073 120.329 120.400 0.004 0.000 2.336 136 D HA 0.074 4.714 4.640 -0.000 0.000 0.229 136 D C 0.666 176.983 176.300 0.029 0.000 1.061 136 D CA -0.174 53.834 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 1.791 117.518 115.700 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 0.989 64.288 63.200 0.165 0.000 0.849 137 S HN 0.099 nan 8.310 nan 0.000 0.494 138 P HA 0.060 nan 4.420 nan 0.000 0.225 138 P C 0.121 177.437 177.300 0.027 0.000 1.156 138 P CA 0.338 63.461 63.100 0.038 0.000 0.787 138 P CB -0.044 31.671 31.700 0.024 0.000 0.802 139 I N 1.180 121.779 120.570 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 0.172 38.130 38.000 -0.070 0.000 1.381 139 I HN -0.267 nan 8.210 nan 0.000 0.571 140 K N 6.535 126.829 120.400 -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 39.230 38.460 -0.026 0.000 1.359 141 Y HN 0.449 nan 8.280 nan 0.000 0.599 142 G N 0.072 108.967 108.800 0.157 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 -1.743 173.181 174.900 0.040 0.000 1.329 142 G CA -0.834 44.311 45.100 0.075 0.000 0.949 142 G HN 0.533 nan 8.290 nan 0.000 0.476 143 D N 0.541 120.956 120.400 0.024 0.000 2.508 143 D HA 0.441 5.081 4.640 -0.000 0.000 0.224 143 D C 1.386 177.694 176.300 0.014 0.000 1.171 143 D CA 0.095 54.103 54.000 0.014 0.000 1.006 143 D CB 0.679 41.487 40.800 0.013 0.000 1.073 143 D HN 0.244 nan 8.370 nan 0.000 0.513 144 V N 2.796 122.717 119.914 0.011 0.000 2.575 144 V HA -0.030 4.090 4.120 -0.000 0.000 0.242 144 V C 1.881 177.979 176.094 0.007 0.000 1.045 144 V CA 0.781 63.085 62.300 0.006 0.000 1.065 144 V CB -0.117 31.706 31.823 -0.000 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.443 119.160 119.600 0.005 0.000 2.371 145 M HA 0.286 4.766 4.480 -0.000 0.000 0.246 145 M C 0.372 176.688 176.300 0.026 0.000 1.103 145 M CA 0.090 55.397 55.300 0.011 0.000 1.010 145 M CB -0.620 31.978 32.600 -0.003 0.000 1.457 145 M HN 0.380 nan 8.290 nan 0.000 0.486 146 N N 1.170 119.884 118.700 0.024 0.000 2.699 146 N HA -0.142 4.598 4.740 -0.000 0.000 0.256 146 N C 1.026 176.575 175.510 0.065 0.000 0.993 146 N CA 0.268 53.343 53.050 0.040 0.000 0.759 146 N CB -1.232 37.284 38.487 0.049 0.000 0.906 146 N HN 0.155 nan 8.380 nan 0.000 0.541 147 V N -0.210 119.726 119.914 0.036 0.000 2.287 147 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 147 V C 1.415 177.611 176.094 0.169 0.000 1.053 147 V CA 1.563 63.896 62.300 0.055 0.000 1.027 147 V CB 0.018 31.762 31.823 -0.131 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 0.376 120.998 120.570 0.087 0.000 2.410 148 I HA 0.488 4.658 4.170 -0.000 0.000 0.286 148 I C -1.119 175.036 176.117 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 39.800 38.000 0.068 0.000 1.262 148 I HN 0.228 nan 8.210 nan 0.000 0.443 149 D N 5.388 125.830 120.400 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 1.425 20.478 19.000 0.089 0.000 1.282 150 A HN 0.425 nan 8.150 nan 0.000 0.399 151 P HA 0.306 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 63.663 63.100 0.161 0.000 0.768 151 P CB 1.310 33.084 31.700 0.124 0.000 0.842 152 A N 3.544 126.447 122.820 0.138 0.000 1.978 152 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 152 A C 1.124 178.826 177.584 0.197 0.000 1.170 152 A CA 1.936 54.049 52.037 0.125 0.000 0.636 152 A CB -0.948 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 -3.829 110.831 114.554 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 1.479 70.387 68.868 0.068 0.000 1.186 153 T HN 0.174 nan 8.240 nan 0.000 0.499 154 I N 1.827 122.340 120.570 -0.094 0.000 2.439 154 I HA 0.575 4.745 4.170 -0.000 0.000 0.283 154 I C 0.618 176.655 176.117 -0.135 0.000 1.023 154 I CA -1.114 60.076 61.300 -0.184 0.000 1.100 154 I CB 1.454 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 -0.014 122.782 122.820 -0.039 0.000 2.566 156 A HA 0.449 4.769 4.320 -0.000 0.000 0.245 156 A C 1.628 179.198 177.584 -0.025 0.000 1.056 156 A CA 0.969 52.999 52.037 -0.011 0.000 0.757 156 A CB -1.096 17.930 19.000 0.043 0.000 0.979 156 A HN 2.755 nan 8.150 nan 0.000 0.508 157 G N 0.842 109.619 108.800 -0.038 0.000 2.199 157 G HA2 0.139 4.099 3.960 -0.000 0.000 0.254 157 G HA3 0.139 4.099 3.960 -0.000 0.000 0.254 157 G C 0.555 175.422 174.900 -0.054 0.000 0.982 157 G CA 0.605 45.679 45.100 -0.044 0.000 0.632 157 G HN 2.192 nan 8.290 nan 0.000 0.529 158 A N -0.521 122.258 122.820 -0.068 0.000 2.269 158 A HA 0.854 5.174 4.320 -0.000 0.000 0.319 158 A C 0.235 177.764 177.584 -0.092 0.000 1.110 158 A CA 0.632 52.627 52.037 -0.070 0.000 0.847 158 A CB 1.102 20.062 19.000 -0.066 0.000 1.161 158 A HN 0.704 nan 8.150 nan 0.000 0.497 159 T N 0.621 115.131 114.554 -0.073 0.000 2.812 159 T HA 0.606 4.956 4.350 -0.000 0.000 0.282 159 T C 0.164 174.830 174.700 -0.058 0.000 0.990 159 T CA 0.043 62.099 62.100 -0.074 0.000 0.960 159 T CB 1.460 70.300 68.868 -0.046 0.000 0.948 159 T HN 1.037 nan 8.240 nan 0.000 0.438 160 G N 1.956 110.714 108.800 -0.071 0.000 2.400 160 G HA2 0.630 4.590 3.960 -0.000 0.000 0.333 160 G HA3 0.630 4.590 3.960 -0.000 0.000 0.333 160 G C -0.840 174.075 174.900 0.026 0.000 1.143 160 G CA -0.570 44.514 45.100 -0.025 0.000 0.914 160 G HN 0.497 nan 8.290 nan 0.000 0.480 161 E N 0.621 120.852 120.200 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 1.397 122.692 121.223 0.120 0.000 2.341 162 L HA 0.532 4.872 4.340 -0.000 0.000 0.267 162 L C 0.031 176.965 176.870 0.106 0.000 1.009 162 L CA -0.467 54.452 54.840 0.132 0.000 0.819 162 L CB 2.121 44.291 42.059 0.186 0.000 1.323 162 L HN 0.329 nan 8.230 nan 0.000 0.425 163 T N 2.276 116.888 114.554 0.096 0.000 2.921 163 T HA 0.739 5.089 4.350 -0.000 0.000 0.297 163 T C -1.086 173.658 174.700 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 3.185 122.795 119.600 0.017 0.000 2.501 164 M HA 0.678 5.158 4.480 -0.000 0.000 0.293 164 M C -2.376 173.870 176.300 -0.089 0.000 1.192 164 M CA -0.850 54.436 55.300 -0.022 0.000 0.886 164 M CB 1.669 34.234 32.600 -0.058 0.000 1.710 164 M HN 0.618 nan 8.290 nan 0.000 0.457 165 Y N 2.733 123.003 120.300 -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 1.172 121.769 120.300 0.495 0.000 2.477 166 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 166 Y C -1.017 175.105 175.900 0.370 0.000 0.981 166 Y CA -1.553 56.732 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 4.987 126.377 121.300 0.149 0.000 2.361 167 W HA 0.667 5.327 4.660 -0.000 0.000 0.314 167 W C -1.903 174.644 176.519 0.046 0.000 1.041 167 W CA -1.017 56.404 57.345 0.127 0.000 1.241 167 W CB 1.452 30.942 29.460 0.050 0.000 1.279 167 W HN 0.310 nan 8.180 nan 0.000 0.436 168 V N 9.361 128.986 119.914 -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 -0.825 0.000 1.040 168 V CA -1.558 60.471 62.300 -0.451 0.000 0.866 168 V CB 0.964 32.653 31.823 -0.222 0.000 1.019 168 V HN 0.356 nan 8.190 nan 0.000 0.468 169 P HA 0.389 nan 4.420 nan 0.000 0.286 169 P C 0.044 177.243 177.300 -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 1.493 122.655 121.223 -0.102 0.000 2.675 170 L HA 0.321 4.661 4.340 -0.000 0.000 0.178 170 L C 1.377 178.375 176.870 0.214 0.000 1.135 170 L CA 0.100 54.898 54.840 -0.071 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 0.257 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 2.290 122.580 120.300 -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 1.808 59.723 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 -2.125 113.560 115.700 -0.025 0.000 2.790 173 S HA 0.230 4.700 4.470 -0.000 0.000 0.292 173 S C 0.522 175.112 174.600 -0.016 0.000 1.197 173 S CA -0.285 57.857 58.200 -0.096 0.000 0.851 173 S CB 1.282 64.413 63.200 -0.115 0.000 1.217 173 S HN 0.090 nan 8.310 nan 0.000 0.526 174 E N 0.479 120.640 120.200 -0.065 0.000 2.204 174 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 174 E C 1.539 178.121 176.600 -0.030 0.000 0.989 174 E CA 2.041 58.404 56.400 -0.061 0.000 0.824 174 E CB -0.225 29.410 29.700 -0.108 0.000 0.756 174 E HN 0.789 nan 8.360 nan 0.000 0.477 175 T N -3.071 111.476 114.554 -0.011 0.000 2.985 175 T HA 0.100 4.449 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 0.246 69.113 68.868 -0.001 0.000 1.047 175 T HN -0.060 nan 8.240 nan 0.000 0.511 176 D N 1.189 121.628 120.400 0.064 0.000 2.453 176 D HA 0.313 4.953 4.640 -0.000 0.000 0.238 176 D C 0.630 176.974 176.300 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 41.970 40.800 0.179 0.000 1.076 176 D HN 0.206 nan 8.370 nan 0.000 0.533 177 L N 2.495 123.735 121.223 0.028 0.000 2.627 177 L HA 0.088 4.428 4.340 -0.000 0.000 0.233 177 L C 0.761 177.636 176.870 0.009 0.000 1.144 177 L CA 0.156 55.014 54.840 0.031 0.000 0.892 177 L CB -0.325 41.747 42.059 0.022 0.000 1.039 177 L HN 0.261 nan 8.230 nan 0.000 0.442 178 T N 0.870 115.393 114.554 -0.052 0.000 2.871 178 T HA 0.226 4.576 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 0.631 nan 8.240 nan 0.000 0.536 179 G N 2.042 110.864 108.800 0.036 0.000 2.213 179 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.236 179 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.236 179 G C 0.363 175.375 174.900 0.187 0.000 0.991 179 G CA -0.036 45.186 45.100 0.203 0.000 0.629 179 G HN 1.159 nan 8.290 nan 0.000 0.517 180 A N -0.463 122.422 122.820 0.108 0.000 2.386 180 A HA 0.652 4.971 4.320 -0.000 0.000 0.246 180 A C 0.404 178.029 177.584 0.068 0.000 1.089 180 A CA 0.754 52.829 52.037 0.064 0.000 0.790 180 A CB 0.874 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 1.819 121.749 119.914 0.027 0.000 2.448 181 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 181 V C -0.498 175.620 176.094 0.041 0.000 1.025 181 V CA -0.523 61.809 62.300 0.052 0.000 0.859 181 V CB 1.371 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 5.183 126.432 121.223 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 0.981 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 3.754 126.569 122.820 -0.009 0.000 2.624 183 A HA 0.167 4.487 4.320 -0.000 0.000 0.287 183 A C 1.300 178.857 177.584 -0.045 0.000 1.087 183 A CA -0.058 51.971 52.037 -0.013 0.000 0.964 183 A CB -0.583 18.422 19.000 0.009 0.000 1.231 183 A HN 0.852 nan 8.150 nan 0.000 0.551 184 N N -0.010 118.650 118.700 -0.067 0.000 2.459 184 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 184 N C 1.214 176.673 175.510 -0.085 0.000 1.046 184 N CA 1.625 54.626 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 62.134 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 3.188 66.279 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 -3.949 115.841 119.800 -0.016 0.000 2.540 187 Q HA -0.274 4.066 4.340 -0.000 0.000 0.186 187 Q C 0.810 176.800 176.000 -0.016 0.000 2.876 187 Q CA 1.921 57.715 55.803 -0.015 0.000 0.213 187 Q CB -2.706 26.023 28.738 -0.013 0.000 0.199 187 Q HN 0.446 nan 8.270 nan 0.000 0.403 188 S N 2.720 118.410 115.700 -0.016 0.000 2.558 188 S HA 0.147 4.617 4.470 -0.000 0.000 0.291 188 S C 0.375 174.960 174.600 -0.025 0.000 1.306 188 S CA 0.563 58.750 58.200 -0.022 0.000 1.056 188 S CB 0.460 63.648 63.200 -0.020 0.000 0.836 188 S HN 0.290 nan 8.310 nan 0.000 0.504 189 K N 3.697 124.074 120.400 -0.038 0.000 2.202 189 K HA 0.286 4.606 4.320 -0.000 0.000 0.264 189 K C -0.163 176.400 176.600 -0.060 0.000 1.010 189 K CA -0.567 55.695 56.287 -0.042 0.000 0.940 189 K CB 0.485 32.955 32.500 -0.050 0.000 0.983 189 K HN 0.649 nan 8.250 nan 0.000 0.475 190 Q N 1.169 120.939 119.800 -0.050 0.000 2.221 190 Q HA 0.334 4.674 4.340 -0.000 0.000 0.242 190 Q C -0.782 175.128 176.000 -0.151 0.000 0.940 190 Q CA -0.731 55.009 55.803 -0.104 0.000 0.896 190 Q CB 1.554 30.307 28.738 0.026 0.000 1.226 190 Q HN 0.465 nan 8.270 nan 0.000 0.463 191 R N 1.190 121.533 120.500 -0.262 0.000 2.502 191 R HA 0.393 4.733 4.340 -0.000 0.000 0.300 191 R C -1.626 174.545 176.300 -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 31.429 30.300 -0.152 0.000 1.180 191 R HN 0.340 nan 8.270 nan 0.000 0.444 192 L N 3.671 124.781 121.223 -0.189 0.000 2.301 192 L HA 0.394 4.734 4.340 -0.000 0.000 0.278 192 L C -0.884 175.880 176.870 -0.176 0.000 1.022 192 L CA -0.248 54.467 54.840 -0.208 0.000 0.854 192 L CB 0.840 42.629 42.059 -0.450 0.000 1.226 192 L HN 0.400 nan 8.230 nan 0.000 0.429 193 K N 6.175 126.499 120.400 -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 33.827 32.500 -0.052 0.000 1.062 193 K HN 0.545 nan 8.250 nan 0.000 0.465 194 L N 2.457 123.527 121.223 -0.255 0.000 2.381 194 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 194 L C -0.436 176.187 176.870 -0.411 0.000 0.988 194 L CA -0.625 53.945 54.840 -0.450 0.000 0.824 194 L CB 1.954 43.609 42.059 -0.674 0.000 1.263 194 L HN 0.646 nan 8.230 nan 0.000 0.410 195 E N 3.180 123.118 120.200 -0.436 0.000 2.129 195 E HA 0.450 4.800 4.350 -0.000 0.000 0.268 195 E C -1.304 175.107 176.600 -0.316 0.000 0.900 195 E CA -0.606 55.642 56.400 -0.253 0.000 0.755 195 E CB 1.037 30.647 29.700 -0.150 0.000 1.117 195 E HN 0.301 nan 8.360 nan 0.000 0.410 196 F N 1.887 121.847 119.950 0.017 0.000 2.370 196 F HA 0.463 4.990 4.527 -0.000 0.000 0.319 196 F C 1.075 176.902 175.800 0.046 0.000 1.129 196 F CA -0.556 57.480 58.000 0.061 0.000 1.109 196 F CB 0.837 39.967 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 -0.166 51.975 52.037 0.174 0.000 0.779 197 A CB -0.195 18.959 19.000 0.257 0.000 1.026 197 A HN 0.892 nan 8.150 nan 0.000 0.499 198 N N -0.712 118.102 118.700 0.191 0.000 3.102 198 N HA 0.258 4.998 4.740 -0.000 0.000 0.299 198 N C -0.125 175.626 175.510 0.402 0.000 1.482 198 N CA -0.826 52.364 53.050 0.233 0.000 0.785 198 N CB 0.363 38.958 38.487 0.181 0.000 1.680 198 N HN 0.297 nan 8.380 nan 0.000 0.594 199 N N -0.601 118.357 118.700 0.431 0.000 2.573 199 N HA -0.029 4.711 4.740 -0.000 0.000 0.187 199 N C -0.042 175.671 175.510 0.338 0.000 1.107 199 N CA 0.647 53.989 53.050 0.486 0.000 0.918 199 N CB -0.540 38.197 38.487 0.417 0.000 0.966 199 N HN 0.579 nan 8.380 nan 0.000 0.448 200 N N -1.077 117.755 118.700 0.220 0.000 2.388 200 N HA -0.024 4.716 4.740 -0.000 0.000 0.176 200 N C 1.506 177.082 175.510 0.110 0.000 1.062 200 N CA 0.801 53.947 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 -2.833 111.770 114.554 0.081 0.000 3.000 201 T HA 0.313 4.663 4.350 -0.000 0.000 0.248 201 T C 1.851 176.517 174.700 -0.058 0.000 1.034 201 T CA 0.167 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 0.812 123.487 122.820 -0.242 0.000 2.066 202 A HA 0.408 4.728 4.320 -0.000 0.000 0.218 202 A C 0.141 177.241 177.584 -0.806 0.000 1.157 202 A CA 0.250 51.916 52.037 -0.618 0.000 0.670 202 A CB -0.573 17.826 19.000 -1.001 0.000 0.804 202 A HN 0.543 nan 8.150 nan 0.000 0.453 203 F N -0.813 119.194 119.950 0.096 0.000 2.477 203 F HA 0.672 5.199 4.527 0.000 0.000 0.335 203 F C 0.219 176.053 175.800 0.056 0.000 1.130 203 F CA -1.422 56.619 58.000 0.067 0.000 0.948 203 F CB 1.433 40.451 39.000 0.030 0.000 1.154 203 F HN 0.067 nan 8.300 nan 0.000 0.439 204 A N 2.000 124.934 122.820 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 0.675 19.708 19.000 0.056 0.000 1.184 204 A HN 0.967 nan 8.150 nan 0.000 0.496 205 A N 1.671 124.535 122.820 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 1.374 121.297 119.914 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 -0.046 31.775 31.823 -0.003 0.000 0.914 206 V HN 1.966 nan 8.190 nan 0.000 0.487 207 G N 3.210 112.015 108.800 0.008 0.000 2.241 207 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.244 207 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.244 207 G C 0.414 175.319 174.900 0.009 0.000 0.998 207 G CA 0.263 45.366 45.100 0.005 0.000 0.621 207 G HN 1.513 nan 8.290 nan 0.000 0.519 208 A N -0.128 122.704 122.820 0.018 0.000 2.271 208 A HA 0.656 4.976 4.320 -0.000 0.000 0.288 208 A C 0.501 178.102 177.584 0.028 0.000 1.094 208 A CA 0.110 52.162 52.037 0.025 0.000 0.828 208 A CB 0.385 19.407 19.000 0.036 0.000 1.091 208 A HN 0.518 nan 8.150 nan 0.000 0.493 209 N N 1.102 119.822 118.700 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 -1.307 51.778 53.050 0.059 0.000 0.945 209 N CB 1.013 39.538 38.487 0.062 0.000 1.063 209 N HN 0.349 nan 8.380 nan 0.000 0.472 210 P HA -0.008 nan 4.420 nan 0.000 0.255 210 P C 1.521 178.656 177.300 -0.274 0.000 1.248 210 P CA -0.124 62.912 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 1.569 122.647 121.223 -0.241 0.000 2.010 211 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 211 L C 1.746 178.416 176.870 -0.334 0.000 1.077 211 L CA 2.207 56.776 54.840 -0.451 0.000 0.773 211 L CB -0.904 41.125 42.059 -0.050 0.000 0.892 211 L HN -0.118 nan 8.230 nan 0.000 0.436 212 E N -0.013 120.151 120.200 -0.060 0.000 2.474 212 E HA 0.288 4.638 4.350 -0.000 0.000 0.195 212 E C 0.682 177.306 176.600 0.041 0.000 1.039 212 E CA 0.575 57.024 56.400 0.082 0.000 0.881 212 E CB -0.072 29.712 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 -1.585 118.936 120.570 -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 61.857 61.300 -0.134 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 0.047 0.000 2.499 215 Y HA 0.571 5.121 4.550 -0.000 0.000 0.347 215 Y C -0.251 175.706 175.900 0.096 0.000 0.987 215 Y CA -0.769 57.391 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 1.263 121.188 119.800 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 2.659 31.424 28.738 0.045 0.000 1.342 216 Q HN 0.972 nan 8.270 nan 0.000 0.427 217 G N 0.376 109.207 108.800 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 44.970 45.100 0.003 0.000 0.875 217 G HN 0.722 nan 8.290 nan 0.000 0.579 218 A N -0.867 121.896 122.820 -0.095 0.000 2.070 218 A HA 0.320 4.640 4.320 -0.000 0.000 0.220 218 A C 2.237 179.623 177.584 -0.330 0.000 1.159 218 A CA 2.717 54.656 52.037 -0.162 0.000 0.656 218 A CB -0.435 18.470 19.000 -0.160 0.000 0.800 218 A HN 1.995 nan 8.150 nan 0.000 0.453 219 G N -1.731 106.857 108.800 -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 1.287 176.085 174.900 -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 2.761 180.331 177.584 -0.022 0.000 1.182 220 A CA 2.244 54.265 52.037 -0.027 0.000 0.633 220 A CB -0.713 18.337 19.000 0.084 0.000 0.819 220 A HN 0.796 nan 8.150 nan 0.000 0.448 221 A N -0.690 122.146 122.820 0.025 0.000 2.024 221 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 221 A C 1.357 178.948 177.584 0.012 0.000 1.164 221 A CA 1.775 53.841 52.037 0.048 0.000 0.643 221 A CB -0.339 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 -1.196 119.203 120.400 -0.002 0.000 2.388 222 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 222 D C -0.353 175.831 176.300 -0.193 0.000 1.133 222 D CA -0.036 53.935 54.000 -0.049 0.000 0.831 222 D CB -0.090 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 1.546 120.606 119.300 -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 58.029 59.018 -0.811 0.000 2.312 223 C CB 0.833 27.686 27.740 -1.478 0.000 2.428 223 C HN 0.400 nan 8.230 nan 0.000 0.564 224 E N 0.611 120.407 120.200 -0.673 0.000 2.401 224 E HA 0.455 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 0.587 30.270 29.700 -0.027 0.000 1.275 224 E HN 0.355 nan 8.360 nan 0.000 0.448 225 F N 1.530 121.606 119.950 0.211 0.000 2.427 225 F HA 0.164 4.691 4.527 0.000 0.000 0.352 225 F C 1.777 177.601 175.800 0.039 0.000 1.100 225 F CA 0.012 58.098 58.000 0.144 0.000 1.191 225 F CB 1.440 40.513 39.000 0.122 0.000 1.128 225 F HN 0.771 nan 8.300 nan 0.000 0.533 226 E N 1.568 121.880 120.200 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 -0.944 119.290 120.200 0.057 0.000 2.398 227 E HA 0.390 4.740 4.350 -0.000 0.000 0.280 227 E C -1.329 175.129 176.600 -0.237 0.000 1.122 227 E CA -0.581 55.743 56.400 -0.127 0.000 0.873 227 E CB 0.362 29.980 29.700 -0.135 0.000 1.294 227 E HN 0.081 nan 8.360 nan 0.000 0.435 228 I N 0.559 120.750 120.570 -0.633 0.000 2.686 228 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 228 I C -0.918 174.763 176.117 -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 39.704 38.000 -1.146 0.000 1.238 228 I HN 0.544 nan 8.210 nan 0.000 0.420 229 S N 3.622 119.095 115.700 -0.378 0.000 2.548 229 S HA 0.741 5.211 4.470 -0.000 0.000 0.286 229 S C -1.507 173.026 174.600 -0.111 0.000 1.098 229 S CA -0.622 57.417 58.200 -0.268 0.000 0.930 229 S CB 2.012 65.099 63.200 -0.188 0.000 1.070 229 S HN 0.531 nan 8.310 nan 0.000 0.480 230 Y N -1.257 118.957 120.300 -0.143 0.000 2.562 230 Y HA 0.858 5.408 4.550 -0.000 0.000 0.345 230 Y C -0.942 174.932 175.900 -0.043 0.000 1.045 230 Y CA -0.863 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 2.902 117.575 114.554 0.199 0.000 2.928 231 T HA 0.531 4.881 4.350 -0.000 0.000 0.296 231 T C -1.456 173.333 174.700 0.148 0.000 1.000 231 T CA -0.653 61.476 62.100 0.048 0.000 0.989 231 T CB 1.507 70.343 68.868 -0.054 0.000 1.005 231 T HN 0.625 nan 8.240 nan 0.000 0.442 232 V N 4.114 124.092 119.914 0.106 0.000 2.398 232 V HA 0.478 4.598 4.120 -0.000 0.000 0.286 232 V C -1.127 175.005 176.094 0.064 0.000 1.026 232 V CA -0.761 61.640 62.300 0.169 0.000 0.868 232 V CB 0.834 32.757 31.823 0.166 0.000 0.982 232 V HN 0.807 nan 8.190 nan 0.000 0.443 233 Y N 3.019 123.503 120.300 0.308 0.000 2.352 233 Y HA 0.497 5.047 4.550 -0.000 0.000 0.339 233 Y C 0.312 176.408 175.900 0.328 0.000 0.992 233 Y CA -0.324 57.953 58.100 0.295 0.000 1.100 233 Y CB 1.685 40.317 38.460 0.286 0.000 1.192 233 Y HN 0.574 nan 8.280 nan 0.000 0.458 234 Q N 2.135 122.198 119.800 0.440 0.000 2.271 234 Q HA 0.457 4.797 4.340 -0.000 0.000 0.258 234 Q C -0.887 175.279 176.000 0.276 0.000 0.936 234 Q CA -0.578 55.395 55.803 0.284 0.000 0.909 234 Q CB 1.316 30.246 28.738 0.320 0.000 1.253 234 Q HN 0.655 nan 8.270 nan 0.000 0.440 235 S N 4.285 120.053 115.700 0.114 0.000 2.433 235 S HA 0.626 5.096 4.470 -0.000 0.000 0.310 235 S C -1.387 173.302 174.600 0.148 0.000 1.097 235 S CA -0.380 57.917 58.200 0.161 0.000 1.103 235 S CB 0.250 63.647 63.200 0.328 0.000 0.992 235 S HN 0.565 nan 8.310 nan 0.000 0.469 236 Y N 2.115 122.424 120.300 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 0.817 39.275 38.460 -0.003 0.000 1.294 236 Y HN 0.425 nan 8.280 nan 0.000 0.466 237 L N 2.429 123.759 121.223 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 -0.567 54.331 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 1.915 122.432 120.400 0.195 0.000 2.449 238 D HA 0.238 4.878 4.640 -0.000 0.000 0.250 238 D C -0.366 176.053 176.300 0.198 0.000 1.050 238 D CA 0.002 54.158 54.000 0.260 0.000 1.024 238 D CB 1.397 42.370 40.800 0.289 0.000 1.218 238 D HN 0.369 nan 8.370 nan 0.000 0.566 239 Q N 0.214 120.127 119.800 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 26.938 28.738 0.122 0.000 1.140 239 Q HN 0.469 nan 8.270 nan 0.000 0.415 240 L N 2.040 123.393 121.223 0.216 0.000 2.490 240 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 240 L C -1.053 175.881 176.870 0.107 0.000 1.201 240 L CA -1.165 53.813 54.840 0.231 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 2.660 122.445 119.914 -0.216 0.000 2.628 242 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 242 V C 0.909 176.922 176.094 -0.135 0.000 1.045 242 V CA -0.147 61.978 62.300 -0.292 0.000 0.905 242 V CB 1.641 33.216 31.823 -0.413 0.000 0.997 242 V HN 0.893 nan 8.190 nan 0.000 0.436 243 G N 1.602 110.347 108.800 -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 0.580 45.653 45.100 -0.046 0.000 0.918 243 G HN 0.731 nan 8.290 nan 0.000 0.602 244 Q N -1.432 118.359 119.800 -0.015 0.000 1.942 244 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 244 Q C 2.527 178.528 176.000 0.002 0.000 0.987 244 Q CA 2.710 58.509 55.803 -0.007 0.000 0.844 244 Q CB -1.963 26.774 28.738 -0.002 0.000 0.911 244 Q HN 1.293 nan 8.270 nan 0.000 0.423 245 N N -0.025 118.682 118.700 0.012 0.000 2.573 245 N HA 0.387 5.127 4.740 -0.000 0.000 0.187 245 N C 1.401 176.935 175.510 0.041 0.000 1.107 245 N CA 1.572 54.637 53.050 0.025 0.000 0.918 245 N CB -0.176 38.328 38.487 0.028 0.000 0.966 245 N HN 1.558 nan 8.380 nan 0.000 0.448 246 G N -1.686 107.131 108.800 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 -1.053 173.869 174.900 0.036 0.000 1.269 246 G CA -0.371 44.758 45.100 0.049 0.000 1.170 246 G HN 0.418 nan 8.290 nan 0.000 0.511 247 Y N 0.904 121.214 120.300 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 0.529 58.641 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 6.182 126.827 120.570 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 0.153 61.502 61.300 0.082 0.000 1.309 248 I CB -0.041 37.983 38.000 0.040 0.000 1.415 248 I HN 0.351 nan 8.210 nan 0.000 0.492 249 L N 8.560 129.832 121.223 0.082 0.000 2.401 249 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 249 L C -2.455 174.437 176.870 0.036 0.000 0.991 249 L CA -1.873 53.007 54.840 0.066 0.000 0.818 249 L CB 2.555 44.656 42.059 0.069 0.000 1.321 249 L HN 0.345 nan 8.230 nan 0.000 0.413 250 P HA 0.174 nan 4.420 nan 0.000 0.273 250 P C 0.645 177.945 177.300 -0.001 0.000 1.428 250 P CA -0.249 62.854 63.100 0.005 0.000 0.995 250 P CB 0.665 32.363 31.700 -0.003 0.000 1.286 251 L N 2.717 123.940 121.223 0.000 0.000 2.131 251 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 251 L C 2.379 179.239 176.870 -0.016 0.000 1.092 251 L CA 1.317 56.156 54.840 -0.002 0.000 0.759 251 L CB -0.554 41.506 42.059 0.002 0.000 0.903 251 L HN 0.278 nan 8.230 nan 0.000 0.435 252 I N -0.390 120.160 120.570 -0.033 0.000 2.233 252 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 252 I C 2.118 178.188 176.117 -0.078 0.000 1.093 252 I CA 1.039 62.304 61.300 -0.057 0.000 1.380 252 I CB -0.426 37.531 38.000 -0.073 0.000 1.067 252 I HN 0.206 nan 8.210 nan 0.000 0.413 253 D N 1.321 121.676 120.400 -0.075 0.000 2.106 253 D HA -0.172 4.468 4.640 -0.000 0.000 0.191 253 D C 2.197 178.474 176.300 -0.039 0.000 0.997 253 D CA 1.457 55.407 54.000 -0.082 0.000 0.834 253 D CB -0.398 40.372 40.800 -0.050 0.000 0.956 253 D HN 0.276 nan 8.370 nan 0.000 0.448 254 L N 0.055 121.273 121.223 -0.008 0.000 2.465 254 L HA -0.003 4.337 4.340 -0.000 0.000 0.224 254 L C 1.507 178.395 176.870 0.029 0.000 1.145 254 L CA 0.546 55.400 54.840 0.023 0.000 0.834 254 L CB 0.024 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 0.414 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 2.495 117.029 114.554 -0.033 0.000 2.855 256 T HA 0.575 4.925 4.350 -0.000 0.000 0.281 256 T C -0.465 174.227 174.700 -0.014 0.000 1.007 256 T CA -0.443 61.620 62.100 -0.062 0.000 1.009 256 T CB 1.290 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 2.966 124.180 121.223 -0.015 0.000 2.295 257 L HA 0.499 4.839 4.340 -0.000 0.000 0.285 257 L C -1.001 175.955 176.870 0.143 0.000 1.035 257 L CA -1.120 53.694 54.840 -0.044 0.000 0.806 257 L CB 0.845 42.758 42.059 -0.243 0.000 1.214 257 L HN 0.626 nan 8.230 nan 0.000 0.426 258 Y N 4.042 124.396 120.300 0.090 0.000 2.388 258 Y HA 0.489 5.039 4.550 -0.000 0.000 0.328 258 Y C -0.929 174.926 175.900 -0.074 0.000 0.963 258 Y CA -1.129 57.074 58.100 0.171 0.000 1.240 258 Y CB 0.651 39.346 38.460 0.392 0.000 1.118 258 Y HN 0.530 nan 8.280 nan 0.000 0.484 259 N N 5.026 123.278 118.700 -0.747 0.000 2.265 259 N HA 0.539 5.279 4.740 -0.000 0.000 0.300 259 N C -1.898 173.096 175.510 -0.860 0.000 1.148 259 N CA -0.634 51.919 53.050 -0.828 0.000 0.772 259 N CB 2.281 40.269 38.487 -0.831 0.000 1.434 259 N HN 0.477 nan 8.380 nan 0.000 0.481 260 L N 0.769 121.698 121.223 -0.490 0.000 2.346 260 L HA 0.507 4.847 4.340 -0.000 0.000 0.276 260 L C 0.117 176.984 176.870 -0.005 0.000 1.006 260 L CA -0.187 54.541 54.840 -0.187 0.000 0.817 260 L CB 1.290 43.219 42.059 -0.216 0.000 1.272 260 L HN 0.452 nan 8.230 nan 0.000 0.421 261 E N 1.746 122.081 120.200 0.225 0.000 2.390 261 E HA 0.444 4.794 4.350 -0.000 0.000 0.277 261 E C -1.415 175.283 176.600 0.165 0.000 0.939 261 E CA -0.891 55.640 56.400 0.219 0.000 0.769 261 E CB 2.786 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 -1.142 174.400 175.510 0.054 0.000 1.216 262 N CA -0.620 52.388 53.050 -0.070 0.000 0.803 262 N CB 2.175 40.522 38.487 -0.233 0.000 1.372 262 N HN 0.355 nan 8.380 nan 0.000 0.500 263 S N -1.496 114.234 115.700 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 57.731 58.200 0.101 0.000 0.815 263 S CB 0.912 64.213 63.200 0.168 0.000 1.139 263 S HN 1.077 nan 8.310 nan 0.000 0.472 264 A N 1.836 124.721 122.820 0.109 0.000 2.414 264 A HA 0.847 5.167 4.320 -0.000 0.000 0.306 264 A C -1.459 176.204 177.584 0.132 0.000 1.054 264 A CA -0.580 51.532 52.037 0.127 0.000 0.724 264 A CB 1.695 20.770 19.000 0.125 0.000 1.267 264 A HN 0.652 nan 8.150 nan 0.000 0.418 265 Q N 0.077 119.980 119.800 0.171 0.000 2.359 265 Q HA 0.721 5.061 4.340 -0.000 0.000 0.274 265 Q C -0.704 175.454 176.000 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 31.464 28.738 0.326 0.000 1.342 265 Q HN 1.102 nan 8.270 nan 0.000 0.427 266 A N -0.428 122.553 122.820 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 0.182 0.000 1.176 266 A CA -0.138 51.957 52.037 0.097 0.000 0.757 266 A CB 1.597 20.630 19.000 0.054 0.000 1.337 266 A HN 1.020 nan 8.150 nan 0.000 0.423 267 G N -0.978 107.817 108.800 -0.008 0.000 2.155 267 G HA2 0.015 3.975 3.960 -0.000 0.000 0.135 267 G HA3 0.015 3.975 3.960 -0.000 0.000 0.135 267 G C -0.415 174.478 174.900 -0.012 0.000 1.023 267 G CA -0.068 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 1.448 122.442 121.223 -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 0.219 54.806 54.840 -0.421 0.000 0.816 268 L CB 1.507 43.185 42.059 -0.635 0.000 1.129 268 L HN 0.180 nan 8.230 nan 0.000 0.448 269 T N 1.901 116.402 114.554 -0.089 0.000 2.916 269 T HA 0.378 4.728 4.350 -0.000 0.000 0.298 269 T C -2.666 172.002 174.700 -0.053 0.000 1.031 269 T CA -1.468 60.604 62.100 -0.047 0.000 0.993 269 T CB 1.869 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 -0.866 117.793 118.700 -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 0.085 176.147 176.094 -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 -0.034 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 -0.003 0.000 1.148 273 D HN 0.344 nan 8.370 nan 0.000 0.483 274 F N 3.627 123.481 119.950 -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 -0.580 175.253 176.094 -0.435 0.000 1.024 275 V CA -0.895 61.206 62.300 -0.331 0.000 0.861 275 V CB 1.444 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 0.151 176.124 176.094 -0.202 0.000 1.021 276 V CA -0.619 61.549 62.300 -0.219 0.000 0.838 276 V CB 1.166 32.927 31.823 -0.103 0.000 0.999 276 V HN 0.932 nan 8.190 nan 0.000 0.447 277 Q N 3.257 122.943 119.800 -0.189 0.000 2.352 277 Q HA 0.356 4.696 4.340 -0.000 0.000 0.260 277 Q C -1.168 174.685 176.000 -0.244 0.000 0.976 277 Q CA -0.063 55.652 55.803 -0.147 0.000 0.881 277 Q CB 0.999 29.677 28.738 -0.100 0.000 1.235 277 Q HN 0.654 nan 8.270 nan 0.000 0.419 278 Y N 0.358 120.548 120.300 -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 -0.531 57.350 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 2.685 125.524 122.820 0.032 0.000 2.296 279 A HA 0.366 4.686 4.320 -0.000 0.000 0.264 279 A C -0.200 177.367 177.584 -0.027 0.000 1.097 279 A CA -0.767 51.224 52.037 -0.078 0.000 0.811 279 A CB 0.029 18.849 19.000 -0.299 0.000 1.072 279 A HN 0.870 nan 8.150 nan 0.000 0.495 280 N N -1.217 117.396 118.700 -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 -0.039 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 -3.579 117.613 121.223 -0.052 0.000 3.121 281 L HA -0.223 4.117 4.340 -0.000 0.000 0.404 281 L C -1.056 176.093 176.870 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 2.151 122.470 120.300 0.030 0.000 2.309 282 Y HA 0.546 5.096 4.550 -0.000 0.000 0.327 282 Y C 1.064 176.973 175.900 0.014 0.000 1.172 282 Y CA -0.596 57.381 58.100 -0.205 0.000 1.280 282 Y CB 0.408 38.274 38.460 -0.990 0.000 1.234 282 Y HN 0.180 nan 8.280 nan 0.000 0.512 283 R N 3.675 124.272 120.500 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 -0.580 55.619 56.100 0.165 0.000 0.920 283 R CB 0.194 30.527 30.300 0.055 0.000 1.137 283 R HN 0.504 nan 8.270 nan 0.000 0.492 284 Y N 3.160 123.588 120.300 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 -0.235 58.005 58.100 0.235 0.000 1.253 284 Y CB 0.642 39.260 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 0.601 55.516 54.840 0.125 0.000 0.790 285 L CB -0.120 41.932 42.059 -0.013 0.000 0.932 285 L HN 0.621 nan 8.230 nan 0.000 0.447 286 S N -1.984 113.899 115.700 0.305 0.000 2.570 286 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 286 S C -0.612 174.187 174.600 0.333 0.000 1.149 286 S CA -0.680 57.670 58.200 0.250 0.000 0.837 286 S CB 2.374 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 1.956 116.617 114.554 0.179 0.000 2.881 287 T HA 0.609 4.959 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 -0.416 61.741 62.100 0.095 0.000 0.978 287 T CB 0.885 69.854 68.868 0.169 0.000 0.997 287 T HN 0.659 nan 8.240 nan 0.000 0.443 288 I N 2.290 122.777 120.570 -0.139 0.000 2.465 288 I HA 0.710 4.880 4.170 -0.000 0.000 0.291 288 I C -0.351 175.632 176.117 -0.224 0.000 1.014 288 I CA -0.967 60.301 61.300 -0.052 0.000 1.093 288 I CB 1.738 39.809 38.000 0.118 0.000 1.267 288 I HN 0.726 nan 8.210 nan 0.000 0.431 289 A N 6.363 129.109 122.820 -0.122 0.000 2.335 289 A HA 0.748 5.068 4.320 -0.000 0.000 0.304 289 A C -1.084 176.606 177.584 0.176 0.000 1.118 289 A CA -0.476 51.503 52.037 -0.097 0.000 0.757 289 A CB 1.382 20.211 19.000 -0.284 0.000 1.188 289 A HN 0.397 nan 8.150 nan 0.000 0.460 290 V N 3.345 123.390 119.914 0.218 0.000 2.370 290 V HA 0.305 4.425 4.120 -0.000 0.000 0.283 290 V C -0.655 175.656 176.094 0.361 0.000 1.023 290 V CA -0.381 62.095 62.300 0.293 0.000 0.857 290 V CB 1.170 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 5.324 125.393 119.950 0.198 0.000 2.451 291 F HA 0.360 4.887 4.527 0.000 0.000 0.356 291 F C 0.469 176.175 175.800 -0.156 0.000 1.178 291 F CA -1.821 56.206 58.000 0.046 0.000 1.210 291 F CB 0.141 39.185 39.000 0.073 0.000 1.504 291 F HN 0.604 nan 8.300 nan 0.000 0.598 292 D N 4.106 124.508 120.400 0.002 0.000 2.435 292 D HA -0.030 4.610 4.640 -0.000 0.000 0.230 292 D C -0.060 175.914 176.300 -0.542 0.000 1.215 292 D CA 0.089 53.779 54.000 -0.517 0.000 0.947 292 D CB -0.320 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 2.853 120.978 118.700 -0.958 0.000 3.178 293 N HA 0.199 4.939 4.740 -0.000 0.000 0.300 293 N C 0.738 175.947 175.510 -0.501 0.000 1.242 293 N CA 0.450 52.984 53.050 -0.860 0.000 1.192 293 N CB -0.469 37.305 38.487 -1.188 0.000 1.463 293 N HN 0.612 nan 8.380 nan 0.000 0.539 294 G N 0.807 109.410 108.800 -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 -0.214 0.000 1.055 294 G CA 0.504 45.478 45.100 -0.210 0.000 0.922 294 G HN 1.094 nan 8.290 nan 0.000 0.503 295 G N -2.328 106.301 108.800 -0.285 0.000 2.195 295 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.246 295 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.246 295 G C 0.463 175.231 174.900 -0.220 0.000 0.984 295 G CA 0.695 45.694 45.100 -0.167 0.000 0.633 295 G HN 1.746 nan 8.290 nan 0.000 0.525 296 S N 0.076 115.515 115.700 -0.436 0.000 2.489 296 S HA 0.768 5.238 4.470 -0.000 0.000 0.291 296 S C -0.819 173.376 174.600 -0.676 0.000 1.151 296 S CA -0.332 57.659 58.200 -0.347 0.000 1.082 296 S CB 0.904 63.938 63.200 -0.277 0.000 1.019 296 S HN 0.306 nan 8.310 nan 0.000 0.492 297 F N 2.978 122.826 119.950 -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 57.057 58.000 -0.151 0.000 0.983 297 F CB 1.159 40.071 39.000 -0.146 0.000 1.198 297 F HN 0.391 nan 8.300 nan 0.000 0.436 298 N N 1.427 120.128 118.700 0.002 0.000 2.430 298 N HA 0.512 5.252 4.740 -0.000 0.000 0.298 298 N C -0.455 175.126 175.510 0.118 0.000 1.130 298 N CA -0.702 52.371 53.050 0.038 0.000 0.894 298 N CB 2.173 40.648 38.487 -0.020 0.000 1.209 298 N HN 0.556 nan 8.380 nan 0.000 0.503 299 A N 0.494 123.378 122.820 0.108 0.000 3.063 299 A HA 0.471 4.791 4.320 -0.000 0.000 0.263 299 A C 1.327 179.022 177.584 0.186 0.000 1.736 299 A CA 0.278 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 1.027 110.001 108.800 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 1.565 46.828 45.100 0.272 0.000 0.626 300 G HN 1.505 nan 8.290 nan 0.000 0.540 301 T N -0.721 113.901 114.554 0.112 0.000 3.051 301 T HA 0.072 4.422 4.350 -0.000 0.000 0.269 301 T C 1.488 176.220 174.700 0.053 0.000 1.127 301 T CA 1.796 63.937 62.100 0.068 0.000 1.107 301 T CB -0.186 68.710 68.868 0.047 0.000 0.898 301 T HN 0.613 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 -0.489 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 3.708 122.310 118.700 -0.165 0.000 2.197 304 N HA 0.012 4.752 4.740 -0.000 0.000 0.184 304 N C -0.589 174.921 175.510 0.001 0.000 1.030 304 N CA 1.387 54.383 53.050 -0.089 0.000 0.851 304 N CB 0.275 38.668 38.487 -0.157 0.000 1.003 304 N HN 0.630 nan 8.380 nan 0.000 0.430 305 Y N -1.920 118.297 120.300 -0.138 0.000 2.713 305 Y HA 0.634 5.184 4.550 -0.000 0.000 0.335 305 Y C -1.763 173.954 175.900 -0.306 0.000 1.222 305 Y CA -1.430 56.569 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 1.702 122.834 121.223 -0.152 0.000 2.333 306 L HA 0.929 5.269 4.340 -0.000 0.000 0.263 306 L C -0.094 176.628 176.870 -0.246 0.000 1.014 306 L CA -0.556 53.952 54.840 -0.554 0.000 0.820 306 L CB 2.200 43.422 42.059 -1.395 0.000 1.352 306 L HN 0.898 nan 8.230 nan 0.000 0.421 307 S N -0.168 115.302 115.700 -0.384 0.000 2.636 307 S HA 0.568 5.038 4.470 -0.000 0.000 0.266 307 S C -2.095 172.388 174.600 -0.194 0.000 1.147 307 S CA -0.634 57.537 58.200 -0.049 0.000 0.815 307 S CB 1.541 64.750 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 1.959 32.256 30.300 -0.004 0.000 1.192 309 R HN 0.503 nan 8.270 nan 0.000 0.457 310 T N 2.253 116.801 114.554 -0.009 0.000 2.794 310 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 310 T C -0.287 174.410 174.700 -0.005 0.000 0.987 310 T CA -0.455 61.643 62.100 -0.003 0.000 0.993 310 T CB 1.521 70.372 68.868 -0.028 0.000 0.939 310 T HN 0.696 nan 8.240 nan 0.000 0.449 311 A N 2.982 125.805 122.820 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 -1.631 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 -1.078 117.616 118.700 -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 2.240 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 -1.646 118.291 119.950 -0.023 0.000 3.087 313 F HA 0.803 5.330 4.527 -0.000 0.000 0.371 313 F C 1.466 177.237 175.800 -0.049 0.000 1.144 313 F CA 1.325 59.302 58.000 -0.038 0.000 1.030 313 F CB -0.439 38.531 39.000 -0.051 0.000 1.366 313 F HN 1.794 nan 8.300 nan 0.000 0.522 314 S N 0.106 115.783 115.700 -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 0.839 59.014 58.200 -0.041 0.000 2.940 314 S CB -1.277 61.896 63.200 -0.046 0.000 0.331 314 S HN 0.780 nan 8.310 nan 0.000 1.766 315 D N 1.309 121.678 120.400 -0.051 0.000 2.308 315 D HA 0.330 4.970 4.640 -0.000 0.000 0.251 315 D C 1.216 177.485 176.300 -0.052 0.000 1.127 315 D CA 0.624 54.595 54.000 -0.048 0.000 0.876 315 D CB 1.251 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 -0.713 113.815 114.554 -0.043 0.000 3.044 316 T HA 0.036 4.386 4.350 -0.000 0.000 0.250 316 T C 0.946 175.626 174.700 -0.033 0.000 1.081 316 T CA -0.260 61.808 62.100 -0.053 0.000 1.040 316 T CB 0.179 69.004 68.868 -0.071 0.000 0.962 316 T HN 0.602 nan 8.240 nan 0.000 0.506 317 R N 0.295 120.794 120.500 -0.002 0.000 2.747 317 R HA 0.305 4.645 4.340 -0.000 0.000 0.200 317 R C -0.912 175.454 176.300 0.109 0.000 1.438 317 R CA -0.657 55.459 56.100 0.027 0.000 1.334 317 R CB -0.335 29.960 30.300 -0.009 0.000 1.523 317 R HN 0.088 nan 8.270 nan 0.000 0.741 318 K N 2.946 123.364 120.400 0.030 0.000 2.310 318 K HA 0.320 4.640 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 3.357 124.687 121.223 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 44.321 42.059 0.329 0.000 1.338 319 L HN 0.755 nan 8.230 nan 0.000 0.414 320 D N 0.589 121.091 120.400 0.171 0.000 2.368 320 D HA 0.130 4.770 4.640 -0.000 0.000 0.240 320 D C -2.115 174.299 176.300 0.190 0.000 1.169 320 D CA -1.139 52.955 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 1.516 64.725 63.100 0.182 0.000 0.858 321 P CB 0.076 31.852 31.700 0.127 0.000 0.789 322 K N -0.944 119.587 120.400 0.218 0.000 2.097 322 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 322 K C 1.741 178.465 176.600 0.208 0.000 1.050 322 K CA 1.651 58.058 56.287 0.201 0.000 0.938 322 K CB -0.429 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 0.456 115.130 114.554 0.201 0.000 2.904 323 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 323 T C 1.144 175.977 174.700 0.222 0.000 1.059 323 T CA 0.817 63.020 62.100 0.171 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 2.176 123.547 121.300 0.119 0.000 2.358 324 W HA -0.073 4.587 4.660 -0.000 0.000 0.303 324 W C 2.448 179.087 176.519 0.200 0.000 1.208 324 W CA 1.246 58.683 57.345 0.153 0.000 1.274 324 W CB -0.570 28.991 29.460 0.168 0.000 1.138 324 W HN 0.288 nan 8.180 nan 0.000 0.515 325 A N 0.880 123.994 122.820 0.489 0.000 1.972 325 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 325 A C 2.179 179.883 177.584 0.199 0.000 1.169 325 A CA 2.494 54.751 52.037 0.366 0.000 0.635 325 A CB -1.199 17.992 19.000 0.318 0.000 0.810 325 A HN 0.291 nan 8.150 nan 0.000 0.446 326 A N -0.838 122.073 122.820 0.152 0.000 1.902 326 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 326 A C 2.115 179.731 177.584 0.054 0.000 1.181 326 A CA 1.605 53.695 52.037 0.088 0.000 0.623 326 A CB -0.480 18.564 19.000 0.074 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 -0.916 27.718 28.738 -0.174 0.000 0.901 327 Q HN 0.655 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 0.729 121.270 120.500 0.068 0.000 2.159 329 R HA 0.018 4.358 4.340 -0.000 0.000 0.237 329 R C 2.455 178.760 176.300 0.008 0.000 1.131 329 R CA 0.784 56.894 56.100 0.018 0.000 0.982 329 R CB -0.081 30.235 30.300 0.025 0.000 0.868 329 R HN 0.232 nan 8.270 nan 0.000 0.453 330 R N 0.173 120.689 120.500 0.026 0.000 2.189 330 R HA 0.007 4.347 4.340 -0.000 0.000 0.218 330 R C 1.872 178.188 176.300 0.027 0.000 1.074 330 R CA 0.752 56.864 56.100 0.021 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 0.429 120.958 120.500 0.049 0.000 2.146 331 R HA 0.151 4.491 4.340 -0.000 0.000 0.206 331 R C 2.033 178.319 176.300 -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 30.436 30.300 0.195 0.000 0.949 331 R HN 0.319 nan 8.270 nan 0.000 0.471 332 I N -3.945 116.570 120.570 -0.092 0.000 4.050 332 I HA 0.479 4.649 4.170 -0.000 0.000 0.327 332 I C 0.478 176.502 176.117 -0.156 0.000 1.473 332 I CA 0.093 61.283 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 0.253 123.015 122.820 -0.096 0.000 2.861 333 A HA -0.215 4.105 4.320 -0.000 0.000 0.261 333 A C 0.640 178.174 177.584 -0.082 0.000 1.351 333 A CA 1.681 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 0.622 120.961 120.400 -0.101 0.000 2.181 335 D HA 0.530 5.170 4.640 -0.000 0.000 0.248 335 D C -0.252 175.959 176.300 -0.148 0.000 1.020 335 D CA -0.114 53.847 54.000 -0.064 0.000 0.891 335 D CB 0.764 41.576 40.800 0.019 0.000 1.187 335 D HN 0.288 nan 8.370 nan 0.000 0.443 336 F N 0.728 120.609 119.950 -0.115 0.000 2.435 336 F HA 0.226 4.753 4.527 -0.000 0.000 0.316 336 F C -1.333 174.360 175.800 -0.179 0.000 1.220 336 F CA -1.321 56.534 58.000 -0.243 0.000 1.241 336 F CB -0.215 38.535 39.000 -0.417 0.000 1.234 336 F HN 0.083 nan 8.300 nan 0.000 0.569 337 P HA 0.003 nan 4.420 nan 0.000 0.271 337 P C -1.112 176.215 177.300 0.044 0.000 1.238 337 P CA -0.291 62.866 63.100 0.096 0.000 0.794 337 P CB 0.311 32.163 31.700 0.252 0.000 0.959 338 K N 1.017 121.451 120.400 0.058 0.000 2.511 338 K HA 0.148 4.468 4.320 -0.000 0.000 0.280 338 K C 1.270 177.929 176.600 0.097 0.000 1.008 338 K CA 1.234 57.557 56.287 0.060 0.000 1.050 338 K CB -0.732 31.824 32.500 0.094 0.000 0.889 338 K HN 0.856 nan 8.250 nan 0.000 0.484 339 G N 1.194 110.003 108.800 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 1.061 120.759 119.914 -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 61.293 62.300 -0.341 0.000 0.860 340 V CB 0.796 32.396 31.823 -0.370 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.453 341 Y N 4.301 124.652 120.300 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 -0.827 57.429 58.100 0.259 0.000 1.089 341 Y CB 1.694 40.246 38.460 0.153 0.000 1.192 341 Y HN 0.639 nan 8.280 nan 0.000 0.454 342 Y N 2.392 122.990 120.300 0.496 0.000 2.468 342 Y HA 0.681 5.231 4.550 -0.000 0.000 0.342 342 Y C -1.137 175.051 175.900 0.481 0.000 1.021 342 Y CA -1.805 56.486 58.100 0.318 0.000 1.079 342 Y CB 1.699 40.263 38.460 0.173 0.000 1.226 342 Y HN 0.805 nan 8.280 nan 0.000 0.460 343 C N 6.568 125.602 119.300 -0.443 0.000 2.516 343 C HA 0.373 4.833 4.460 -0.000 0.000 0.338 343 C C -1.379 173.206 174.990 -0.675 0.000 1.132 343 C CA -0.690 58.119 59.018 -0.347 0.000 1.310 343 C CB 0.005 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 3.957 124.044 120.400 -0.522 0.000 2.274 344 D HA 0.326 4.966 4.640 -0.000 0.000 0.239 344 D C 0.040 176.306 176.300 -0.058 0.000 1.104 344 D CA 0.233 54.103 54.000 -0.217 0.000 0.840 344 D CB 0.802 41.615 40.800 0.021 0.000 1.100 344 D HN 0.711 nan 8.370 nan 0.000 0.477 345 N N 3.381 122.093 118.700 0.019 0.000 2.451 345 N HA 0.099 4.839 4.740 -0.000 0.000 0.271 345 N C 1.067 176.617 175.510 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 1.133 57.274 56.100 0.068 0.000 0.960 346 R CB 0.090 30.465 30.300 0.124 0.000 0.856 346 R HN 0.111 nan 8.270 nan 0.000 0.436 347 D N 0.426 120.856 120.400 0.050 0.000 2.224 347 D HA -0.041 4.599 4.640 -0.000 0.000 0.205 347 D C 0.191 176.518 176.300 0.045 0.000 0.965 347 D CA 1.261 55.286 54.000 0.042 0.000 0.852 347 D CB 0.234 41.058 40.800 0.041 0.000 0.947 347 D HN 0.117 nan 8.370 nan 0.000 0.494 348 K N 0.794 121.228 120.400 0.056 0.000 2.814 348 K HA 0.288 4.608 4.320 -0.000 0.000 0.205 348 K C -2.769 173.886 176.600 0.091 0.000 1.093 348 K CA -1.437 54.897 56.287 0.078 0.000 1.035 348 K CB 2.537 35.093 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 3.826 124.481 120.570 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 0.293 0.000 1.134 350 I CA 0.399 61.741 61.300 0.070 0.000 1.410 350 I CB -1.179 36.604 38.000 -0.362 0.000 1.392 350 I HN 0.422 nan 8.210 nan 0.000 0.545 351 Y N 5.950 126.308 120.300 0.097 0.000 2.317 351 Y HA 0.125 4.675 4.550 -0.000 0.000 0.329 351 Y C 1.256 177.192 175.900 0.060 0.000 1.101 351 Y CA -0.960 57.201 58.100 0.101 0.000 1.228 351 Y CB 1.242 39.743 38.460 0.067 0.000 1.123 351 Y HN 0.737 nan 8.280 nan 0.000 0.457 352 T N -0.072 114.362 114.554 -0.199 0.000 2.778 352 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 352 T C 1.776 176.269 174.700 -0.345 0.000 1.050 352 T CA 1.864 63.840 62.100 -0.206 0.000 1.137 352 T CB -0.765 68.019 68.868 -0.139 0.000 0.860 352 T HN 0.708 nan 8.240 nan 0.000 0.468 353 L N 0.356 121.135 121.223 -0.741 0.000 2.713 353 L HA 0.489 4.829 4.340 -0.000 0.000 0.245 353 L C 2.207 178.871 176.870 -0.343 0.000 1.169 353 L CA 1.346 55.853 54.840 -0.555 0.000 0.962 353 L CB -1.692 39.967 42.059 -0.666 0.000 1.161 353 L HN 0.704 nan 8.230 nan 0.000 0.427 354 Q N -2.339 117.286 119.800 -0.293 0.000 2.519 354 Q HA 0.116 4.455 4.340 -0.000 0.000 0.248 354 Q C 0.080 175.802 176.000 -0.463 0.000 0.804 354 Q CA 0.245 55.859 55.803 -0.314 0.000 0.979 354 Q CB 0.969 29.567 28.738 -0.234 0.000 1.282 354 Q HN 0.662 nan 8.270 nan 0.000 0.558 355 Y N 0.264 120.548 120.300 -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 0.334 nan 8.280 nan 0.000 0.587 356 G N 1.191 110.020 108.800 0.049 0.000 2.726 356 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 356 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 356 G C -0.046 174.865 174.900 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 -0.485 118.218 118.700 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 0.140 53.198 53.050 0.012 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 0.716 176.969 176.094 0.266 0.000 1.045 358 V CA -0.752 61.618 62.300 0.116 0.000 0.905 358 V CB 1.931 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 1.804 110.749 108.800 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 -1.854 173.211 174.900 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 1.776 121.745 119.950 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 -0.513 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 6.499 126.100 119.914 -0.522 0.000 2.555 361 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 361 V C -0.860 174.990 176.094 -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 3.946 123.728 119.914 -0.219 0.000 2.482 362 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 362 V C -0.365 175.512 176.094 -0.361 0.000 1.026 362 V CA -0.633 61.468 62.300 -0.332 0.000 0.856 362 V CB 1.932 33.585 31.823 -0.284 0.000 1.001 362 V HN 0.893 nan 8.190 nan 0.000 0.424 363 N N 7.145 125.486 118.700 -0.598 0.000 2.546 363 N HA 0.366 5.106 4.740 -0.000 0.000 0.238 363 N C -2.722 172.494 175.510 -0.491 0.000 0.984 363 N CA -1.612 51.070 53.050 -0.612 0.000 0.935 363 N CB 2.466 40.272 38.487 -1.135 0.000 1.122 363 N HN 0.333 nan 8.380 nan 0.000 0.510 364 P HA 0.147 nan 4.420 nan 0.000 0.279 364 P C 0.131 177.359 177.300 -0.121 0.000 1.239 364 P CA -0.179 62.783 63.100 -0.231 0.000 0.789 364 P CB 2.069 33.628 31.700 -0.235 0.000 0.933 365 K N 1.472 121.845 120.400 -0.044 0.000 2.202 365 K HA 0.092 4.412 4.320 -0.000 0.000 0.201 365 K C -0.008 176.592 176.600 -0.001 0.000 1.051 365 K CA 0.912 57.184 56.287 -0.025 0.000 0.977 365 K CB 0.311 32.807 32.500 -0.008 0.000 0.792 365 K HN 0.416 nan 8.250 nan 0.000 0.469 366 T N 0.915 115.490 114.554 0.035 0.000 2.881 366 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 366 T C -1.458 173.275 174.700 0.054 0.000 1.000 366 T CA -0.682 61.429 62.100 0.018 0.000 0.978 366 T CB 2.220 71.080 68.868 -0.013 0.000 0.997 366 T HN -0.181 nan 8.240 nan 0.000 0.443 367 V N 4.591 124.516 119.914 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 1.481 33.314 31.823 0.016 0.000 1.003 367 V HN 0.764 nan 8.190 nan 0.000 0.426 368 N N 2.370 121.017 118.700 -0.088 0.000 2.413 368 N HA 0.248 4.988 4.740 -0.000 0.000 0.266 368 N C -0.013 175.450 175.510 -0.078 0.000 1.238 368 N CA -0.514 52.477 53.050 -0.098 0.000 0.972 368 N CB 0.735 39.133 38.487 -0.149 0.000 1.210 368 N HN 0.771 nan 8.380 nan 0.000 0.547 369 Q N 0.526 120.286 119.800 -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 0.076 55.849 55.803 -0.051 0.000 0.886 369 Q CB 0.199 28.914 28.738 -0.039 0.000 1.243 369 Q HN 0.438 nan 8.270 nan 0.000 0.415 370 N N 0.222 118.897 118.700 -0.043 0.000 2.776 370 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 370 N C -1.237 174.243 175.510 -0.051 0.000 1.111 370 N CA 0.942 53.970 53.050 -0.037 0.000 0.711 370 N CB -1.671 36.797 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 0.673 4.993 4.320 -0.000 0.000 0.257 371 A C 0.879 178.453 177.584 -0.016 0.000 1.089 371 A CA 0.218 52.235 52.037 -0.032 0.000 0.794 371 A CB 0.629 19.647 19.000 0.029 0.000 1.029 371 A HN 0.472 nan 8.150 nan 0.000 0.488 372 R N 0.652 121.176 120.500 0.040 0.000 2.728 372 R HA 0.595 4.935 4.340 -0.000 0.000 0.274 372 R C -2.136 174.221 176.300 0.095 0.000 1.032 372 R CA -0.934 55.173 56.100 0.012 0.000 0.866 372 R CB 0.812 31.140 30.300 0.047 0.000 1.263 372 R HN 0.452 nan 8.270 nan 0.000 0.475 373 L N 2.463 123.726 121.223 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 -1.054 53.861 54.840 0.123 0.000 0.812 373 L CB 1.676 43.807 42.059 0.119 0.000 1.223 373 L HN 0.442 nan 8.230 nan 0.000 0.421 374 L N 4.729 126.075 121.223 0.204 0.000 2.262 374 L HA 0.430 4.770 4.340 -0.000 0.000 0.288 374 L C -0.124 176.845 176.870 0.166 0.000 1.035 374 L CA -0.284 54.709 54.840 0.256 0.000 0.820 374 L CB 1.151 43.483 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 -0.378 0.000 1.602 375 M HN 0.568 nan 8.290 nan 0.000 0.457 376 G N 2.527 110.855 108.800 -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 0.168 120.474 120.300 0.011 0.000 2.499 377 Y HA 0.581 5.131 4.550 0.000 0.000 0.347 377 Y C 0.277 176.419 175.900 0.404 0.000 0.987 377 Y CA -0.954 57.363 58.100 0.361 0.000 1.044 377 Y CB 2.710 41.506 38.460 0.561 0.000 1.245 377 Y HN 0.454 nan 8.280 nan 0.000 0.461 378 E N 2.448 122.971 120.200 0.539 0.000 2.176 378 E HA 0.436 4.786 4.350 -0.000 0.000 0.267 378 E C -1.772 174.985 176.600 0.262 0.000 0.893 378 E CA -0.709 55.847 56.400 0.260 0.000 0.761 378 E CB 1.497 31.382 29.700 0.308 0.000 1.133 378 E HN 0.580 nan 8.360 nan 0.000 0.409 379 Y N 1.293 121.590 120.300 -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 -1.446 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 0.633 120.686 119.950 0.171 0.000 2.522 380 F HA 0.810 5.337 4.527 -0.000 0.000 0.324 380 F C 0.180 176.030 175.800 0.083 0.000 1.077 380 F CA -0.886 57.161 58.000 0.077 0.000 0.944 380 F CB 2.197 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 0.768 115.461 114.554 0.232 0.000 2.886 381 T HA 0.407 4.757 4.350 -0.000 0.000 0.330 381 T C -1.069 173.672 174.700 0.067 0.000 1.488 381 T CA -0.528 61.651 62.100 0.133 0.000 1.054 381 T CB 1.007 69.903 68.868 0.047 0.000 1.348 381 T HN 0.487 nan 8.240 nan 0.000 0.489 382 S N 2.258 117.998 115.700 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 57.648 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 1.138 121.642 120.500 0.008 0.000 2.115 383 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 383 R C 1.302 177.616 176.300 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