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 2hae_1_B DATA FIRST_RESID 2 DATA SEQUENCE DALELHRFLK GKIRTALPVE KVDRETLSLL YTPGVADVAR ACAEDPEKTY DATA SEQUENCE VYTSRWNTVA VVSDGSAVLG LGNIGPYGAL PVMEGKAFLF KAFADIDAFP DATA SEQUENCE ICLSESEEEK IISIVKSLEP SFGGINLEDI GAPKCFRILQ RLSEEMNIPV DATA SEQUENCE FHDDQQGTAV VVSAAFLNAL KLTEKKIEEV KVVVNGIGAA GYNIVKFLLD DATA SEQUENCE LGVKNVVAVD RKGILNENDP ETCLNEYXXE IARITNPERL SGDLETALEG DATA SEQUENCE ADFFIGVSRG NILKPEWIKK MSRKPVIFAL ANPVPEIDPE LAREAGAFIV DATA SEQUENCE ATGRSDHPNQ VNNLLAFPGI MKGAVEKRSK ITKNMLLSAV EAIARSCEPE DATA SEQUENCE PERIIPEAFD MKVHLNVYTA VKGSA 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.314 176.300 0.023 0.000 2.045 2 D CA 0.000 54.003 54.000 0.005 0.000 0.868 2 D CB 0.000 40.802 40.800 0.003 0.000 0.688 3 A N 3.318 126.149 122.820 0.018 0.000 1.909 3 A HA -0.235 4.086 4.320 0.001 0.000 0.221 3 A C 2.150 179.766 177.584 0.053 0.000 1.223 3 A CA 1.795 53.855 52.037 0.038 0.000 0.658 3 A CB -0.766 18.200 19.000 -0.056 0.000 0.831 3 A HN 0.655 nan 8.150 nan 0.000 0.462 4 L N -1.028 120.189 121.223 -0.011 0.000 1.963 4 L HA -0.298 4.043 4.340 0.001 0.000 0.220 4 L C 2.758 179.674 176.870 0.077 0.000 1.076 4 L CA 2.277 57.120 54.840 0.005 0.000 0.772 4 L CB -0.651 41.402 42.059 -0.010 0.000 0.892 4 L HN 0.531 nan 8.230 nan 0.000 0.435 5 E N -0.386 119.852 120.200 0.063 0.000 2.097 5 E HA -0.264 4.087 4.350 0.001 0.000 0.196 5 E C 2.249 178.928 176.600 0.132 0.000 1.000 5 E CA 1.272 57.721 56.400 0.082 0.000 0.804 5 E CB -0.155 29.573 29.700 0.047 0.000 0.740 5 E HN 0.445 nan 8.360 nan 0.000 0.454 6 L N 0.049 121.351 121.223 0.131 0.000 2.093 6 L HA -0.173 4.168 4.340 0.001 0.000 0.208 6 L C 2.314 179.289 176.870 0.176 0.000 1.085 6 L CA 1.394 56.322 54.840 0.147 0.000 0.755 6 L CB -0.692 41.424 42.059 0.094 0.000 0.904 6 L HN 0.225 nan 8.230 nan 0.000 0.435 7 H N -0.348 118.752 119.070 0.050 0.000 2.357 7 H HA -0.137 4.419 4.556 0.001 0.000 0.301 7 H C 2.371 177.725 175.328 0.043 0.000 1.082 7 H CA 1.487 57.554 56.048 0.032 0.000 1.342 7 H CB -0.077 29.689 29.762 0.007 0.000 1.389 7 H HN 0.131 nan 8.280 nan 0.000 0.511 8 R N -0.494 120.111 120.500 0.174 0.000 2.148 8 R HA -0.124 4.217 4.340 0.001 0.000 0.227 8 R C 1.809 178.165 176.300 0.094 0.000 1.103 8 R CA 1.046 57.211 56.100 0.108 0.000 0.983 8 R CB -0.291 30.069 30.300 0.100 0.000 0.874 8 R HN 0.344 nan 8.270 nan 0.000 0.451 9 F N 0.597 120.553 119.950 0.011 0.000 2.118 9 F HA -0.005 4.523 4.527 0.001 0.000 0.293 9 F C 1.602 177.393 175.800 -0.016 0.000 1.102 9 F CA 1.163 59.161 58.000 -0.003 0.000 1.247 9 F CB -0.013 38.984 39.000 -0.006 0.000 1.017 9 F HN -0.070 nan 8.300 nan 0.000 0.475 10 L N 0.137 121.355 121.223 -0.009 0.000 2.275 10 L HA -0.139 4.202 4.340 0.001 0.000 0.215 10 L C 0.888 177.675 176.870 -0.138 0.000 1.119 10 L CA 0.645 55.423 54.840 -0.104 0.000 0.790 10 L CB -0.645 41.393 42.059 -0.034 0.000 0.919 10 L HN 0.045 nan 8.230 nan 0.000 0.443 11 K N 1.032 121.374 120.400 -0.097 0.000 3.077 11 K HA -0.167 4.154 4.320 0.001 0.000 0.264 11 K C 0.183 176.751 176.600 -0.053 0.000 1.008 11 K CA 0.934 57.181 56.287 -0.068 0.000 0.740 11 K CB -1.795 30.649 32.500 -0.093 0.000 1.273 11 K HN 0.665 nan 8.250 nan 0.000 0.477 12 G N -0.322 108.443 108.800 -0.059 0.000 2.760 12 G HA2 -0.043 3.918 3.960 0.001 0.000 0.540 12 G HA3 -0.043 3.918 3.960 0.001 0.000 0.540 12 G C 0.069 174.932 174.900 -0.062 0.000 1.476 12 G CA -0.333 44.738 45.100 -0.048 0.000 0.949 12 G HN 0.059 nan 8.290 nan 0.000 0.633 13 K N 0.499 120.860 120.400 -0.065 0.000 2.444 13 K HA 0.389 4.709 4.320 0.001 0.000 0.193 13 K C 0.886 177.544 176.600 0.098 0.000 1.024 13 K CA 0.523 56.789 56.287 -0.036 0.000 1.077 13 K CB 0.452 32.893 32.500 -0.099 0.000 0.833 13 K HN 0.525 nan 8.250 nan 0.000 0.517 14 I N 0.295 120.900 120.570 0.058 0.000 2.865 14 I HA 0.354 4.525 4.170 0.001 0.000 0.302 14 I C -1.023 175.131 176.117 0.063 0.000 1.140 14 I CA -1.048 60.300 61.300 0.079 0.000 1.021 14 I CB 2.288 40.323 38.000 0.058 0.000 1.233 14 I HN -0.095 nan 8.210 nan 0.000 0.427 15 R N 1.299 121.846 120.500 0.078 0.000 2.734 15 R HA 0.536 4.876 4.340 0.001 0.000 0.271 15 R C -0.998 175.352 176.300 0.083 0.000 1.021 15 R CA -0.829 55.315 56.100 0.073 0.000 0.893 15 R CB 2.056 32.384 30.300 0.047 0.000 1.244 15 R HN 0.681 nan 8.270 nan 0.000 0.464 16 T N -1.588 113.010 114.554 0.074 0.000 2.892 16 T HA 0.900 5.250 4.350 0.001 0.000 0.280 16 T C -0.280 174.438 174.700 0.031 0.000 1.004 16 T CA -0.613 61.520 62.100 0.055 0.000 0.950 16 T CB 1.685 70.579 68.868 0.044 0.000 1.309 16 T HN 0.771 nan 8.240 nan 0.000 0.592 17 A N 0.601 123.431 122.820 0.018 0.000 2.573 17 A HA 0.506 4.827 4.320 0.001 0.000 0.312 17 A C -1.436 176.153 177.584 0.009 0.000 1.041 17 A CA -1.060 50.985 52.037 0.013 0.000 0.880 17 A CB 0.048 19.057 19.000 0.016 0.000 1.249 17 A HN 0.807 nan 8.150 nan 0.000 0.385 18 L N 3.390 124.617 121.223 0.006 0.000 2.349 18 L HA 0.511 4.851 4.340 0.001 0.000 0.275 18 L C -0.515 176.363 176.870 0.013 0.000 1.115 18 L CA -1.093 53.751 54.840 0.006 0.000 0.820 18 L CB -0.456 41.602 42.059 -0.001 0.000 1.135 18 L HN 0.593 nan 8.230 nan 0.000 0.445 19 P HA -0.125 nan 4.420 nan 0.000 0.210 19 P C 0.703 178.016 177.300 0.021 0.000 1.185 19 P CA 0.862 63.978 63.100 0.026 0.000 0.924 19 P CB 0.059 31.781 31.700 0.036 0.000 0.786 20 V N 0.329 120.254 119.914 0.019 0.000 3.625 20 V HA -0.080 4.041 4.120 0.001 0.000 0.302 20 V C 2.180 178.281 176.094 0.011 0.000 1.112 20 V CA 0.963 63.273 62.300 0.016 0.000 1.173 20 V CB 0.032 31.865 31.823 0.016 0.000 1.096 20 V HN 0.229 nan 8.190 nan 0.000 0.486 21 E N -0.096 120.110 120.200 0.010 0.000 2.444 21 E HA 0.209 4.559 4.350 0.001 0.000 0.203 21 E C 0.719 177.322 176.600 0.005 0.000 0.847 21 E CA -0.128 56.277 56.400 0.007 0.000 1.142 21 E CB 0.461 30.166 29.700 0.008 0.000 1.125 21 E HN 0.567 nan 8.360 nan 0.000 0.521 22 K N 1.092 121.496 120.400 0.006 0.000 2.274 22 K HA 0.379 4.700 4.320 0.001 0.000 0.262 22 K C -1.402 175.202 176.600 0.006 0.000 0.961 22 K CA -0.632 55.658 56.287 0.005 0.000 0.833 22 K CB 1.892 34.395 32.500 0.005 0.000 1.102 22 K HN -0.080 nan 8.250 nan 0.000 0.436 23 V N 5.416 125.332 119.914 0.004 0.000 2.406 23 V HA 0.157 4.278 4.120 0.001 0.000 0.272 23 V C -0.103 175.996 176.094 0.009 0.000 1.043 23 V CA -0.506 61.798 62.300 0.006 0.000 0.915 23 V CB 0.923 32.746 31.823 0.001 0.000 0.988 23 V HN 0.875 nan 8.190 nan 0.000 0.466 24 D N 4.168 124.576 120.400 0.012 0.000 2.450 24 D HA 0.267 4.908 4.640 0.001 0.000 0.238 24 D C 0.652 176.963 176.300 0.017 0.000 1.020 24 D CA -1.200 52.807 54.000 0.013 0.000 1.010 24 D CB 1.528 42.335 40.800 0.011 0.000 1.342 24 D HN 0.181 nan 8.370 nan 0.000 0.530 25 R N -0.496 120.014 120.500 0.017 0.000 2.397 25 R HA -0.124 4.216 4.340 0.001 0.000 0.213 25 R C 1.329 177.642 176.300 0.021 0.000 1.102 25 R CA 0.938 57.050 56.100 0.020 0.000 1.040 25 R CB 0.084 30.394 30.300 0.016 0.000 0.844 25 R HN 0.557 nan 8.270 nan 0.000 0.478 26 E N -1.586 118.625 120.200 0.019 0.000 2.413 26 E HA -0.020 4.331 4.350 0.001 0.000 0.203 26 E C 0.919 177.533 176.600 0.024 0.000 0.957 26 E CA 0.407 56.818 56.400 0.019 0.000 0.950 26 E CB 0.438 30.147 29.700 0.015 0.000 0.957 26 E HN 0.148 nan 8.360 nan 0.000 0.497 27 T N 1.497 116.066 114.554 0.027 0.000 2.737 27 T HA -0.026 4.324 4.350 0.001 0.000 0.265 27 T C 1.830 176.558 174.700 0.046 0.000 1.038 27 T CA 0.776 62.894 62.100 0.031 0.000 1.144 27 T CB -0.047 68.835 68.868 0.025 0.000 0.866 27 T HN 0.136 nan 8.240 nan 0.000 0.434 28 L N 0.991 122.248 121.223 0.056 0.000 2.201 28 L HA -0.044 4.297 4.340 0.001 0.000 0.212 28 L C 2.638 179.565 176.870 0.095 0.000 1.105 28 L CA 0.783 55.681 54.840 0.098 0.000 0.775 28 L CB -0.453 41.670 42.059 0.107 0.000 0.913 28 L HN 0.238 nan 8.230 nan 0.000 0.440 29 S N -0.063 115.668 115.700 0.052 0.000 2.447 29 S HA -0.050 4.420 4.470 0.001 0.000 0.233 29 S C 1.790 176.403 174.600 0.021 0.000 1.006 29 S CA 1.029 59.245 58.200 0.026 0.000 0.957 29 S CB -0.014 63.195 63.200 0.015 0.000 0.773 29 S HN 0.340 nan 8.310 nan 0.000 0.507 30 L N -0.356 120.888 121.223 0.036 0.000 2.547 30 L HA 0.304 4.645 4.340 0.001 0.000 0.218 30 L C 1.832 178.731 176.870 0.049 0.000 1.048 30 L CA 0.316 55.174 54.840 0.031 0.000 0.859 30 L CB -0.137 41.940 42.059 0.029 0.000 1.128 30 L HN 0.195 nan 8.230 nan 0.000 0.483 31 L N -1.664 119.603 121.223 0.073 0.000 2.249 31 L HA 0.019 4.360 4.340 0.001 0.000 0.207 31 L C 1.187 178.159 176.870 0.170 0.000 1.090 31 L CA 0.771 55.666 54.840 0.092 0.000 0.802 31 L CB 0.026 42.127 42.059 0.068 0.000 0.947 31 L HN 0.217 nan 8.230 nan 0.000 0.453 32 Y N 0.614 120.908 120.300 -0.009 0.000 3.203 32 Y HA 0.241 4.792 4.550 0.001 0.000 0.326 32 Y C 0.716 176.606 175.900 -0.017 0.000 1.438 32 Y CA -1.619 56.473 58.100 -0.014 0.000 0.937 32 Y CB 0.295 38.747 38.460 -0.012 0.000 1.296 32 Y HN -0.087 nan 8.280 nan 0.000 0.766 33 T N 1.653 115.946 114.554 -0.435 0.000 2.907 33 T HA 0.281 4.632 4.350 0.001 0.000 0.298 33 T C -1.918 172.694 174.700 -0.147 0.000 1.017 33 T CA -1.261 60.621 62.100 -0.364 0.000 1.118 33 T CB 1.178 69.718 68.868 -0.548 0.000 0.948 33 T HN 0.503 nan 8.240 nan 0.000 0.531 34 P HA 0.162 nan 4.420 nan 0.000 0.251 34 P C 1.624 178.869 177.300 -0.092 0.000 1.223 34 P CA 0.129 63.158 63.100 -0.118 0.000 0.796 34 P CB -0.279 31.371 31.700 -0.084 0.000 1.068 35 G N 1.642 110.405 108.800 -0.061 0.000 2.586 35 G HA2 -0.318 3.643 3.960 0.001 0.000 0.218 35 G HA3 -0.318 3.643 3.960 0.001 0.000 0.218 35 G C 1.624 176.493 174.900 -0.052 0.000 1.216 35 G CA 1.283 46.358 45.100 -0.041 0.000 0.786 35 G HN 0.221 nan 8.290 nan 0.000 0.583 36 V N 1.827 121.718 119.914 -0.038 0.000 2.277 36 V HA -0.282 3.839 4.120 0.001 0.000 0.255 36 V C 3.164 179.215 176.094 -0.072 0.000 1.074 36 V CA 3.158 65.439 62.300 -0.032 0.000 1.058 36 V CB -1.109 30.724 31.823 0.016 0.000 0.656 36 V HN 0.631 nan 8.190 nan 0.000 0.449 37 A N -0.302 122.460 122.820 -0.098 0.000 1.909 37 A HA -0.382 3.939 4.320 0.001 0.000 0.221 37 A C 2.001 179.530 177.584 -0.092 0.000 1.223 37 A CA 2.574 54.553 52.037 -0.096 0.000 0.658 37 A CB -1.154 17.785 19.000 -0.101 0.000 0.831 37 A HN 0.745 nan 8.150 nan 0.000 0.462 38 D N -0.610 119.733 120.400 -0.095 0.000 2.123 38 D HA -0.119 4.522 4.640 0.001 0.000 0.196 38 D C 2.022 178.226 176.300 -0.161 0.000 0.992 38 D CA 1.671 55.605 54.000 -0.110 0.000 0.833 38 D CB -0.332 40.407 40.800 -0.102 0.000 0.954 38 D HN 0.289 nan 8.370 nan 0.000 0.455 39 V N 1.565 121.372 119.914 -0.179 0.000 2.427 39 V HA -0.203 3.917 4.120 0.001 0.000 0.248 39 V C 2.548 178.538 176.094 -0.172 0.000 1.051 39 V CA 1.553 63.697 62.300 -0.260 0.000 1.048 39 V CB -0.573 31.136 31.823 -0.189 0.000 0.666 39 V HN 0.158 nan 8.190 nan 0.000 0.456 40 A N 0.293 123.050 122.820 -0.105 0.000 1.851 40 A HA -0.292 4.029 4.320 0.001 0.000 0.216 40 A C 2.296 179.837 177.584 -0.072 0.000 1.195 40 A CA 2.351 54.345 52.037 -0.070 0.000 0.622 40 A CB -0.617 18.348 19.000 -0.058 0.000 0.831 40 A HN 0.437 nan 8.150 nan 0.000 0.444 41 R N -0.192 120.261 120.500 -0.078 0.000 2.096 41 R HA -0.136 4.205 4.340 0.001 0.000 0.240 41 R C 2.294 178.554 176.300 -0.066 0.000 1.139 41 R CA 2.066 58.128 56.100 -0.065 0.000 0.952 41 R CB -0.895 29.366 30.300 -0.064 0.000 0.854 41 R HN 0.475 nan 8.270 nan 0.000 0.436 42 A N -0.490 122.266 122.820 -0.106 0.000 1.873 42 A HA -0.239 4.082 4.320 0.001 0.000 0.218 42 A C 2.553 180.113 177.584 -0.039 0.000 1.193 42 A CA 1.891 53.865 52.037 -0.105 0.000 0.629 42 A CB -1.221 17.625 19.000 -0.257 0.000 0.826 42 A HN 0.577 nan 8.150 nan 0.000 0.447 43 C N -1.241 118.033 119.300 -0.043 0.000 2.435 43 C HA 0.125 4.586 4.460 0.001 0.000 0.279 43 C C 3.297 178.289 174.990 0.004 0.000 1.321 43 C CA 0.624 59.653 59.018 0.019 0.000 1.752 43 C CB -1.350 26.401 27.740 0.019 0.000 1.959 43 C HN 0.699 nan 8.230 nan 0.000 0.500 44 A N 0.418 123.229 122.820 -0.015 0.000 1.872 44 A HA -0.162 4.159 4.320 0.001 0.000 0.214 44 A C 1.970 179.551 177.584 -0.004 0.000 1.187 44 A CA 1.935 53.964 52.037 -0.014 0.000 0.614 44 A CB -0.609 18.378 19.000 -0.022 0.000 0.826 44 A HN 0.548 nan 8.150 nan 0.000 0.442 45 E N 0.412 120.609 120.200 -0.005 0.000 2.035 45 E HA -0.194 4.157 4.350 0.001 0.000 0.204 45 E C 0.105 176.716 176.600 0.017 0.000 1.025 45 E CA 1.654 58.056 56.400 0.004 0.000 0.835 45 E CB -0.057 29.644 29.700 0.003 0.000 0.764 45 E HN 0.487 nan 8.360 nan 0.000 0.457 46 D N -2.282 118.136 120.400 0.031 0.000 2.502 46 D HA 0.217 4.858 4.640 0.001 0.000 0.249 46 D C -2.186 174.141 176.300 0.045 0.000 1.092 46 D CA -2.417 51.610 54.000 0.044 0.000 0.839 46 D CB 1.720 42.558 40.800 0.063 0.000 1.264 46 D HN -0.179 nan 8.370 nan 0.000 0.511 47 P HA -0.065 nan 4.420 nan 0.000 0.216 47 P C 0.740 178.046 177.300 0.010 0.000 1.153 47 P CA 0.761 63.867 63.100 0.010 0.000 0.844 47 P CB 0.334 32.038 31.700 0.006 0.000 0.787 48 E N -0.200 120.040 120.200 0.068 0.000 2.455 48 E HA -0.157 4.194 4.350 0.001 0.000 0.202 48 E C 1.393 178.084 176.600 0.152 0.000 1.045 48 E CA 0.795 57.286 56.400 0.152 0.000 0.872 48 E CB -0.371 29.448 29.700 0.197 0.000 0.792 48 E HN 0.305 nan 8.360 nan 0.000 0.542 49 K N 0.101 120.573 120.400 0.119 0.000 2.366 49 K HA -0.021 4.300 4.320 0.001 0.000 0.198 49 K C 2.033 178.734 176.600 0.168 0.000 1.044 49 K CA 0.959 57.355 56.287 0.181 0.000 0.973 49 K CB -0.420 32.262 32.500 0.304 0.000 0.767 49 K HN 0.283 nan 8.250 nan 0.000 0.475 50 T N -1.984 112.603 114.554 0.053 0.000 2.929 50 T HA -0.138 4.213 4.350 0.001 0.000 0.271 50 T C 1.433 176.124 174.700 -0.014 0.000 1.085 50 T CA 0.768 62.860 62.100 -0.013 0.000 1.125 50 T CB -0.347 68.423 68.868 -0.163 0.000 0.874 50 T HN 0.038 nan 8.240 nan 0.000 0.494 51 Y N 0.700 121.049 120.300 0.081 0.000 2.477 51 Y HA 0.431 4.981 4.550 0.002 0.000 0.303 51 Y C 1.611 177.498 175.900 -0.022 0.000 1.202 51 Y CA -0.819 57.345 58.100 0.106 0.000 1.282 51 Y CB 0.098 38.609 38.460 0.085 0.000 1.071 51 Y HN 0.165 nan 8.280 nan 0.000 0.510 52 V N -3.088 116.807 119.914 -0.032 0.000 3.309 52 V HA 0.012 4.133 4.120 0.001 0.000 0.268 52 V C -0.079 175.721 176.094 -0.490 0.000 1.631 52 V CA 0.123 62.216 62.300 -0.345 0.000 1.018 52 V CB 0.068 31.563 31.823 -0.547 0.000 0.841 52 V HN 0.131 nan 8.190 nan 0.000 0.418 53 Y N 1.097 121.444 120.300 0.078 0.000 2.500 53 Y HA 0.434 4.985 4.550 0.002 0.000 0.246 53 Y C 1.160 177.107 175.900 0.080 0.000 1.146 53 Y CA 0.181 58.317 58.100 0.060 0.000 1.230 53 Y CB 0.774 39.254 38.460 0.032 0.000 1.214 53 Y HN 0.326 nan 8.280 nan 0.000 0.526 54 T N -4.172 110.508 114.554 0.209 0.000 2.901 54 T HA 0.356 4.707 4.350 0.001 0.000 0.293 54 T C 0.481 175.321 174.700 0.234 0.000 1.084 54 T CA -0.785 61.412 62.100 0.162 0.000 1.008 54 T CB 1.670 70.580 68.868 0.069 0.000 1.170 54 T HN -0.162 nan 8.240 nan 0.000 0.509 55 S N 0.017 115.776 115.700 0.098 0.000 2.803 55 S HA 0.103 4.574 4.470 0.001 0.000 0.228 55 S C 1.636 176.109 174.600 -0.212 0.000 0.953 55 S CA -0.290 57.880 58.200 -0.049 0.000 0.983 55 S CB -0.571 62.568 63.200 -0.103 0.000 0.784 55 S HN 0.721 nan 8.310 nan 0.000 0.498 56 R N 1.456 121.935 120.500 -0.034 0.000 2.115 56 R HA -0.050 4.291 4.340 0.001 0.000 0.226 56 R C 2.165 178.525 176.300 0.100 0.000 1.100 56 R CA 1.465 57.539 56.100 -0.044 0.000 0.980 56 R CB -0.205 30.025 30.300 -0.117 0.000 0.875 56 R HN 0.746 nan 8.270 nan 0.000 0.445 57 W N -0.403 121.041 121.300 0.239 0.000 2.468 57 W HA -0.032 4.629 4.660 0.001 0.000 0.262 57 W C 0.218 176.827 176.519 0.150 0.000 1.241 57 W CA 0.642 58.173 57.345 0.310 0.000 1.232 57 W CB -0.462 29.122 29.460 0.207 0.000 1.124 57 W HN 0.159 nan 8.180 nan 0.000 0.597 58 N N 0.833 119.007 118.700 -0.877 0.000 2.194 58 N HA 0.019 4.760 4.740 0.001 0.000 0.231 58 N C -0.508 174.739 175.510 -0.440 0.000 1.247 58 N CA 0.324 52.849 53.050 -0.875 0.000 0.884 58 N CB 0.343 37.779 38.487 -1.752 0.000 1.146 58 N HN 0.006 nan 8.380 nan 0.000 0.516 59 T N -1.907 112.503 114.554 -0.241 0.000 2.859 59 T HA 0.721 5.072 4.350 0.001 0.000 0.281 59 T C -0.294 174.426 174.700 0.033 0.000 1.005 59 T CA -0.651 61.407 62.100 -0.069 0.000 1.025 59 T CB 1.984 70.856 68.868 0.007 0.000 0.977 59 T HN -0.197 nan 8.240 nan 0.000 0.458 60 V N 1.254 121.150 119.914 -0.030 0.000 2.841 60 V HA 0.765 4.886 4.120 0.001 0.000 0.310 60 V C -0.219 175.669 176.094 -0.342 0.000 1.090 60 V CA -1.157 61.026 62.300 -0.197 0.000 0.930 60 V CB 2.046 33.600 31.823 -0.448 0.000 1.014 60 V HN 1.326 nan 8.190 nan 0.000 0.425 61 A N 3.601 126.030 122.820 -0.650 0.000 2.276 61 A HA 0.747 5.068 4.320 0.001 0.000 0.316 61 A C -0.565 176.766 177.584 -0.420 0.000 1.229 61 A CA -0.437 51.104 52.037 -0.826 0.000 0.851 61 A CB 1.181 19.215 19.000 -1.611 0.000 1.165 61 A HN 0.742 nan 8.150 nan 0.000 0.513 62 V N 4.708 124.461 119.914 -0.269 0.000 2.284 62 V HA 0.167 4.288 4.120 0.001 0.000 0.260 62 V C -0.044 175.960 176.094 -0.150 0.000 1.084 62 V CA -0.220 61.987 62.300 -0.154 0.000 0.894 62 V CB 0.419 32.201 31.823 -0.068 0.000 1.119 62 V HN 0.594 nan 8.190 nan 0.000 0.484 63 V N 4.019 123.836 119.914 -0.162 0.000 2.432 63 V HA 0.653 4.774 4.120 0.001 0.000 0.275 63 V C 0.313 176.322 176.094 -0.143 0.000 1.043 63 V CA 0.150 62.361 62.300 -0.148 0.000 0.925 63 V CB 1.427 33.160 31.823 -0.150 0.000 0.985 63 V HN 0.783 nan 8.190 nan 0.000 0.466 64 S N 1.669 117.293 115.700 -0.128 0.000 2.570 64 S HA 0.463 4.933 4.470 0.001 0.000 0.270 64 S C -0.228 174.301 174.600 -0.119 0.000 1.149 64 S CA -0.295 57.827 58.200 -0.129 0.000 0.837 64 S CB 2.134 65.267 63.200 -0.111 0.000 1.124 64 S HN 0.927 nan 8.310 nan 0.000 0.465 65 D N 0.805 121.137 120.400 -0.115 0.000 2.469 65 D HA 0.216 4.857 4.640 0.001 0.000 0.213 65 D C 1.144 177.387 176.300 -0.096 0.000 1.135 65 D CA 0.669 54.606 54.000 -0.104 0.000 0.834 65 D CB -0.085 40.659 40.800 -0.093 0.000 1.009 65 D HN 1.261 nan 8.370 nan 0.000 0.507 66 G N 1.206 109.952 108.800 -0.090 0.000 2.147 66 G HA2 -0.337 3.623 3.960 0.001 0.000 0.244 66 G HA3 -0.337 3.623 3.960 0.001 0.000 0.244 66 G C 0.933 175.799 174.900 -0.057 0.000 1.005 66 G CA 0.778 45.836 45.100 -0.070 0.000 0.713 66 G HN 0.619 nan 8.290 nan 0.000 0.515 67 S N -1.737 113.925 115.700 -0.065 0.000 2.558 67 S HA 0.602 5.073 4.470 0.001 0.000 0.217 67 S C 1.205 175.774 174.600 -0.052 0.000 0.975 67 S CA 0.981 59.148 58.200 -0.056 0.000 0.912 67 S CB 0.669 63.830 63.200 -0.065 0.000 0.776 67 S HN 1.975 nan 8.310 nan 0.000 0.526 68 A N 0.860 123.649 122.820 -0.052 0.000 3.455 68 A HA 0.544 4.865 4.320 0.001 0.000 0.225 68 A C -0.340 177.223 177.584 -0.035 0.000 1.052 68 A CA -0.517 51.494 52.037 -0.043 0.000 1.005 68 A CB 0.162 19.132 19.000 -0.050 0.000 1.318 68 A HN 0.226 nan 8.150 nan 0.000 0.639 69 V N 2.735 122.630 119.914 -0.033 0.000 2.446 69 V HA 0.187 4.308 4.120 0.001 0.000 0.276 69 V C 1.417 177.497 176.094 -0.022 0.000 1.030 69 V CA 0.626 62.909 62.300 -0.029 0.000 1.033 69 V CB -0.909 30.898 31.823 -0.027 0.000 0.993 69 V HN 0.809 nan 8.190 nan 0.000 0.477 70 L N 4.160 125.370 121.223 -0.020 0.000 6.328 70 L HA -0.283 4.058 4.340 0.001 0.000 0.053 70 L C 1.695 178.556 176.870 -0.016 0.000 2.032 70 L CA 1.456 56.286 54.840 -0.016 0.000 1.701 70 L CB -1.464 40.586 42.059 -0.014 0.000 2.706 70 L HN 0.739 nan 8.230 nan 0.000 1.012 71 G N -0.790 108.003 108.800 -0.012 0.000 3.434 71 G HA2 0.474 4.435 3.960 0.001 0.000 0.258 71 G HA3 0.474 4.435 3.960 0.001 0.000 0.258 71 G C 0.938 175.833 174.900 -0.008 0.000 1.128 71 G CA 0.015 45.110 45.100 -0.009 0.000 0.792 71 G HN 0.338 nan 8.290 nan 0.000 0.539 72 L N -0.323 120.893 121.223 -0.011 0.000 2.446 72 L HA 0.323 4.664 4.340 0.001 0.000 0.219 72 L C 1.619 178.483 176.870 -0.010 0.000 1.116 72 L CA 0.568 55.402 54.840 -0.010 0.000 0.844 72 L CB -0.454 41.598 42.059 -0.012 0.000 0.970 72 L HN 0.364 nan 8.230 nan 0.000 0.457 73 G N 0.976 109.768 108.800 -0.013 0.000 2.482 73 G HA2 -0.285 3.676 3.960 0.001 0.000 0.214 73 G HA3 -0.285 3.676 3.960 0.001 0.000 0.214 73 G C -0.377 174.512 174.900 -0.018 0.000 1.271 73 G CA -0.166 44.925 45.100 -0.015 0.000 0.944 73 G HN 0.199 nan 8.290 nan 0.000 0.568 74 N N 1.654 120.344 118.700 -0.016 0.000 3.245 74 N HA 0.328 5.069 4.740 0.001 0.000 0.296 74 N C 1.778 177.283 175.510 -0.009 0.000 1.254 74 N CA 0.337 53.376 53.050 -0.018 0.000 1.190 74 N CB -0.678 37.798 38.487 -0.018 0.000 1.460 74 N HN 0.803 nan 8.380 nan 0.000 0.538 75 I N -1.835 118.730 120.570 -0.008 0.000 3.111 75 I HA 0.349 4.520 4.170 0.001 0.000 0.272 75 I C 0.959 177.086 176.117 0.016 0.000 1.268 75 I CA 0.077 61.379 61.300 0.005 0.000 1.467 75 I CB -0.393 37.609 38.000 0.004 0.000 1.087 75 I HN 0.267 nan 8.210 nan 0.000 0.467 76 G N 1.799 110.597 108.800 -0.003 0.000 2.525 76 G HA2 -0.122 3.839 3.960 0.001 0.000 0.685 76 G HA3 -0.122 3.839 3.960 0.001 0.000 0.685 76 G C -2.466 172.402 174.900 -0.054 0.000 1.290 76 G CA -0.210 44.885 45.100 -0.008 0.000 0.915 76 G HN 0.012 nan 8.290 nan 0.000 0.548 77 P HA -0.026 nan 4.420 nan 0.000 0.220 77 P C 1.288 178.426 177.300 -0.270 0.000 1.152 77 P CA 1.477 64.428 63.100 -0.248 0.000 0.812 77 P CB 0.047 31.526 31.700 -0.370 0.000 0.792 78 Y N 0.968 121.256 120.300 -0.019 0.000 2.242 78 Y HA 0.011 4.562 4.550 0.001 0.000 0.291 78 Y C 2.923 178.811 175.900 -0.020 0.000 1.137 78 Y CA 1.790 59.880 58.100 -0.017 0.000 1.181 78 Y CB -1.527 36.925 38.460 -0.013 0.000 0.989 78 Y HN -0.007 nan 8.280 nan 0.000 0.527 79 G N -1.065 107.798 108.800 0.105 0.000 2.464 79 G HA2 -0.028 3.933 3.960 0.001 0.000 0.217 79 G HA3 -0.028 3.933 3.960 0.001 0.000 0.217 79 G C 1.787 176.691 174.900 0.006 0.000 1.138 79 G CA 0.658 45.787 45.100 0.048 0.000 0.793 79 G HN 0.430 nan 8.290 nan 0.000 0.539 80 A N 0.379 123.188 122.820 -0.020 0.000 2.016 80 A HA 0.243 4.563 4.320 0.001 0.000 0.217 80 A C 2.201 179.761 177.584 -0.039 0.000 1.162 80 A CA 1.072 53.086 52.037 -0.038 0.000 0.662 80 A CB -0.257 18.706 19.000 -0.063 0.000 0.812 80 A HN 0.351 nan 8.150 nan 0.000 0.450 81 L N 1.149 122.348 121.223 -0.039 0.000 1.997 81 L HA -0.137 4.204 4.340 0.001 0.000 0.216 81 L C -0.449 176.413 176.870 -0.014 0.000 1.074 81 L CA 3.048 57.865 54.840 -0.038 0.000 0.763 81 L CB -1.153 40.895 42.059 -0.017 0.000 0.890 81 L HN 0.256 nan 8.230 nan 0.000 0.434 82 P HA -0.120 nan 4.420 nan 0.000 0.218 82 P C 1.854 179.182 177.300 0.046 0.000 1.149 82 P CA 1.556 64.685 63.100 0.048 0.000 0.817 82 P CB -0.036 31.687 31.700 0.039 0.000 0.785 83 V N -0.483 119.439 119.914 0.012 0.000 2.667 83 V HA -0.147 3.973 4.120 0.001 0.000 0.252 83 V C 2.601 178.706 176.094 0.017 0.000 1.065 83 V CA 1.403 63.711 62.300 0.013 0.000 1.083 83 V CB -1.097 30.721 31.823 -0.008 0.000 0.692 83 V HN 0.017 nan 8.190 nan 0.000 0.468 84 M N -0.497 119.100 119.600 -0.004 0.000 2.288 84 M HA -0.025 4.456 4.480 0.001 0.000 0.266 84 M C 2.070 178.376 176.300 0.010 0.000 1.072 84 M CA 1.105 56.397 55.300 -0.013 0.000 1.132 84 M CB -1.040 31.527 32.600 -0.056 0.000 1.386 84 M HN 0.420 nan 8.290 nan 0.000 0.432 85 E N -0.160 120.046 120.200 0.010 0.000 2.204 85 E HA -0.078 4.273 4.350 0.001 0.000 0.194 85 E C 2.074 178.740 176.600 0.111 0.000 0.989 85 E CA 0.979 57.396 56.400 0.029 0.000 0.824 85 E CB -0.178 29.530 29.700 0.014 0.000 0.756 85 E HN 0.583 nan 8.360 nan 0.000 0.477 86 G N 2.226 111.091 108.800 0.107 0.000 2.453 86 G HA2 -0.265 3.696 3.960 0.001 0.000 0.215 86 G HA3 -0.265 3.696 3.960 0.001 0.000 0.215 86 G C 1.607 176.631 174.900 0.207 0.000 1.201 86 G CA 0.472 45.656 45.100 0.140 0.000 0.784 86 G HN 0.036 nan 8.290 nan 0.000 0.545 87 K N 0.902 121.389 120.400 0.145 0.000 2.103 87 K HA -0.012 4.308 4.320 0.001 0.000 0.207 87 K C 2.873 179.657 176.600 0.306 0.000 1.048 87 K CA 1.144 57.517 56.287 0.143 0.000 0.930 87 K CB -0.587 31.936 32.500 0.038 0.000 0.716 87 K HN 0.282 nan 8.250 nan 0.000 0.444 88 A N 0.655 123.642 122.820 0.279 0.000 1.933 88 A HA -0.170 4.151 4.320 0.001 0.000 0.218 88 A C 2.067 179.840 177.584 0.316 0.000 1.175 88 A CA 1.186 53.401 52.037 0.297 0.000 0.628 88 A CB -0.641 18.437 19.000 0.129 0.000 0.814 88 A HN 0.329 nan 8.150 nan 0.000 0.444 89 F N 0.688 120.727 119.950 0.148 0.000 2.113 89 F HA -0.111 4.417 4.527 0.001 0.000 0.297 89 F C 1.870 177.766 175.800 0.160 0.000 1.103 89 F CA 1.719 59.791 58.000 0.120 0.000 1.248 89 F CB -0.249 38.800 39.000 0.082 0.000 0.999 89 F HN 0.132 nan 8.300 nan 0.000 0.475 90 L N -0.983 120.474 121.223 0.389 0.000 2.127 90 L HA -0.233 4.108 4.340 0.001 0.000 0.211 90 L C 2.355 179.353 176.870 0.213 0.000 1.089 90 L CA 1.064 56.110 54.840 0.343 0.000 0.757 90 L CB -0.883 41.394 42.059 0.364 0.000 0.899 90 L HN 0.136 nan 8.230 nan 0.000 0.434 91 F N 0.583 120.670 119.950 0.228 0.000 2.186 91 F HA -0.197 4.331 4.527 0.001 0.000 0.299 91 F C 2.608 178.406 175.800 -0.004 0.000 1.090 91 F CA 1.482 59.577 58.000 0.158 0.000 1.307 91 F CB -0.247 38.830 39.000 0.128 0.000 1.019 91 F HN -0.063 nan 8.300 nan 0.000 0.489 92 K N 0.451 120.907 120.400 0.093 0.000 2.116 92 K HA 0.049 4.370 4.320 0.001 0.000 0.203 92 K C 2.045 178.503 176.600 -0.236 0.000 1.052 92 K CA 1.246 57.483 56.287 -0.083 0.000 0.952 92 K CB -0.524 31.892 32.500 -0.141 0.000 0.729 92 K HN 0.082 nan 8.250 nan 0.000 0.446 93 A N -0.711 121.859 122.820 -0.416 0.000 1.930 93 A HA 0.006 4.327 4.320 0.001 0.000 0.217 93 A C 1.670 178.856 177.584 -0.664 0.000 1.175 93 A CA 1.221 52.884 52.037 -0.624 0.000 0.627 93 A CB -0.500 17.975 19.000 -0.875 0.000 0.815 93 A HN 0.342 nan 8.150 nan 0.000 0.443 94 F N -2.162 117.627 119.950 -0.268 0.000 2.720 94 F HA 0.451 4.978 4.527 0.001 0.000 0.301 94 F C 1.780 177.383 175.800 -0.329 0.000 1.103 94 F CA 0.636 58.404 58.000 -0.387 0.000 1.291 94 F CB 0.635 39.234 39.000 -0.668 0.000 1.086 94 F HN 0.226 nan 8.300 nan 0.000 0.592 95 A N -0.854 121.938 122.820 -0.047 0.000 2.653 95 A HA 0.254 4.575 4.320 0.001 0.000 0.248 95 A C 0.464 178.016 177.584 -0.054 0.000 1.211 95 A CA 0.202 52.212 52.037 -0.046 0.000 0.991 95 A CB -0.217 18.817 19.000 0.058 0.000 1.252 95 A HN 0.198 nan 8.150 nan 0.000 0.593 96 D N -0.355 120.006 120.400 -0.064 0.000 2.751 96 D HA -0.163 4.478 4.640 0.001 0.000 0.233 96 D C -0.345 175.920 176.300 -0.058 0.000 1.149 96 D CA 0.874 54.833 54.000 -0.068 0.000 0.682 96 D CB -1.368 39.395 40.800 -0.061 0.000 1.068 96 D HN 0.539 nan 8.370 nan 0.000 0.429 97 I N 0.517 121.078 120.570 -0.014 0.000 2.428 97 I HA 0.180 4.351 4.170 0.001 0.000 0.296 97 I C 0.353 176.433 176.117 -0.061 0.000 0.985 97 I CA -0.715 60.551 61.300 -0.056 0.000 1.260 97 I CB 1.199 39.198 38.000 -0.002 0.000 1.389 97 I HN -0.042 nan 8.210 nan 0.000 0.484 98 D N 6.857 127.182 120.400 -0.124 0.000 2.483 98 D HA 0.296 4.937 4.640 0.001 0.000 0.220 98 D C -0.042 176.244 176.300 -0.025 0.000 1.173 98 D CA 0.033 53.995 54.000 -0.062 0.000 0.964 98 D CB 1.057 41.799 40.800 -0.096 0.000 1.046 98 D HN 0.467 nan 8.370 nan 0.000 0.517 99 A N 2.425 125.244 122.820 -0.001 0.000 2.301 99 A HA 0.486 4.807 4.320 0.001 0.000 0.298 99 A C -0.783 176.874 177.584 0.123 0.000 1.185 99 A CA -0.517 51.500 52.037 -0.034 0.000 0.830 99 A CB 0.496 19.421 19.000 -0.125 0.000 1.112 99 A HN 0.378 nan 8.150 nan 0.000 0.508 100 F N 5.017 124.938 119.950 -0.048 0.000 2.467 100 F HA 0.526 5.053 4.527 0.001 0.000 0.336 100 F C -2.130 173.637 175.800 -0.055 0.000 1.123 100 F CA -2.465 55.540 58.000 0.007 0.000 0.964 100 F CB 2.478 41.550 39.000 0.121 0.000 1.136 100 F HN 0.371 nan 8.300 nan 0.000 0.447 101 P HA 0.235 nan 4.420 nan 0.000 0.276 101 P C -0.721 176.471 177.300 -0.181 0.000 1.253 101 P CA 0.233 63.193 63.100 -0.235 0.000 0.766 101 P CB 0.997 32.548 31.700 -0.249 0.000 0.845 102 I N 4.498 125.008 120.570 -0.099 0.000 2.437 102 I HA 0.214 4.385 4.170 0.001 0.000 0.279 102 I C -0.190 175.878 176.117 -0.081 0.000 1.028 102 I CA -0.639 60.634 61.300 -0.044 0.000 1.142 102 I CB 1.227 39.220 38.000 -0.012 0.000 1.266 102 I HN 0.220 nan 8.210 nan 0.000 0.461 103 C N 7.293 126.538 119.300 -0.091 0.000 2.239 103 C HA 0.467 4.928 4.460 0.001 0.000 0.325 103 C C 0.459 175.371 174.990 -0.130 0.000 1.231 103 C CA -0.686 58.258 59.018 -0.123 0.000 1.652 103 C CB -0.127 27.521 27.740 -0.154 0.000 2.284 103 C HN 0.543 nan 8.230 nan 0.000 0.499 104 L N 3.728 124.884 121.223 -0.112 0.000 2.326 104 L HA 0.337 4.677 4.340 0.001 0.000 0.278 104 L C 0.791 177.591 176.870 -0.116 0.000 1.092 104 L CA 0.236 55.018 54.840 -0.096 0.000 0.810 104 L CB 1.035 43.052 42.059 -0.070 0.000 1.153 104 L HN 0.747 nan 8.230 nan 0.000 0.439 105 S N 1.394 117.032 115.700 -0.104 0.000 3.315 105 S HA 0.453 4.924 4.470 0.001 0.000 0.195 105 S C -0.373 174.198 174.600 -0.048 0.000 1.394 105 S CA -0.603 57.541 58.200 -0.093 0.000 0.983 105 S CB 0.084 63.234 63.200 -0.084 0.000 1.370 105 S HN 0.645 nan 8.310 nan 0.000 0.491 106 E N 1.031 121.202 120.200 -0.049 0.000 2.522 106 E HA 0.314 4.664 4.350 0.001 0.000 0.315 106 E C 0.096 176.673 176.600 -0.039 0.000 0.917 106 E CA -0.223 56.158 56.400 -0.033 0.000 0.796 106 E CB 0.815 30.499 29.700 -0.027 0.000 1.323 106 E HN 0.290 nan 8.360 nan 0.000 0.397 107 S N 2.651 118.332 115.700 -0.031 0.000 2.492 107 S HA 0.172 4.643 4.470 0.001 0.000 0.218 107 S C 0.434 175.017 174.600 -0.029 0.000 1.016 107 S CA -0.172 58.008 58.200 -0.034 0.000 0.916 107 S CB -0.099 63.084 63.200 -0.028 0.000 0.791 107 S HN 0.484 nan 8.310 nan 0.000 0.513 108 E N 2.542 122.730 120.200 -0.019 0.000 2.406 108 E HA 0.018 4.369 4.350 0.001 0.000 0.258 108 E C 1.121 177.712 176.600 -0.016 0.000 1.043 108 E CA -0.018 56.374 56.400 -0.014 0.000 0.929 108 E CB 0.521 30.217 29.700 -0.007 0.000 0.969 108 E HN 0.647 nan 8.360 nan 0.000 0.462 109 E N 3.772 123.963 120.200 -0.015 0.000 2.114 109 E HA -0.302 4.048 4.350 0.001 0.000 0.199 109 E C 0.958 177.554 176.600 -0.007 0.000 1.008 109 E CA 1.160 57.551 56.400 -0.015 0.000 0.810 109 E CB 0.039 29.735 29.700 -0.006 0.000 0.739 109 E HN 0.403 nan 8.360 nan 0.000 0.456 110 E N 0.820 121.020 120.200 -0.000 0.000 2.338 110 E HA -0.075 4.276 4.350 0.001 0.000 0.197 110 E C 1.650 178.250 176.600 0.001 0.000 1.007 110 E CA 0.844 57.246 56.400 0.004 0.000 0.849 110 E CB 0.061 29.766 29.700 0.007 0.000 0.774 110 E HN 0.437 nan 8.360 nan 0.000 0.506 111 K N -0.216 120.182 120.400 -0.004 0.000 2.284 111 K HA 0.177 4.498 4.320 0.001 0.000 0.198 111 K C 2.187 178.781 176.600 -0.010 0.000 1.048 111 K CA 0.077 56.361 56.287 -0.005 0.000 0.987 111 K CB 0.294 32.791 32.500 -0.006 0.000 0.800 111 K HN 0.037 nan 8.250 nan 0.000 0.486 112 I N 1.381 121.940 120.570 -0.019 0.000 2.179 112 I HA -0.288 3.883 4.170 0.001 0.000 0.242 112 I C 2.157 178.261 176.117 -0.021 0.000 1.088 112 I CA 1.405 62.688 61.300 -0.029 0.000 1.357 112 I CB -0.264 37.708 38.000 -0.046 0.000 1.051 112 I HN 0.093 nan 8.210 nan 0.000 0.409 113 I N 0.634 121.195 120.570 -0.014 0.000 2.179 113 I HA -0.302 3.869 4.170 0.001 0.000 0.242 113 I C 2.764 178.884 176.117 0.005 0.000 1.088 113 I CA 1.845 63.143 61.300 -0.004 0.000 1.357 113 I CB -0.550 37.453 38.000 0.004 0.000 1.051 113 I HN 0.312 nan 8.210 nan 0.000 0.409 114 S N 0.855 116.558 115.700 0.006 0.000 2.447 114 S HA -0.053 4.417 4.470 0.001 0.000 0.233 114 S C 1.922 176.529 174.600 0.012 0.000 1.006 114 S CA 0.698 58.904 58.200 0.010 0.000 0.957 114 S CB -0.600 62.605 63.200 0.009 0.000 0.773 114 S HN 0.419 nan 8.310 nan 0.000 0.507 115 I N 1.041 121.615 120.570 0.007 0.000 2.235 115 I HA -0.071 4.100 4.170 0.001 0.000 0.241 115 I C 2.413 178.543 176.117 0.021 0.000 1.085 115 I CA 0.846 62.152 61.300 0.011 0.000 1.378 115 I CB -0.369 37.632 38.000 0.002 0.000 1.076 115 I HN 0.196 nan 8.210 nan 0.000 0.415 116 V N 1.013 120.935 119.914 0.013 0.000 2.343 116 V HA -0.282 3.838 4.120 0.001 0.000 0.247 116 V C 2.351 178.470 176.094 0.042 0.000 1.051 116 V CA 1.738 64.050 62.300 0.021 0.000 1.036 116 V CB -0.803 31.016 31.823 -0.006 0.000 0.654 116 V HN 0.373 nan 8.190 nan 0.000 0.451 117 K N 1.028 121.447 120.400 0.033 0.000 2.160 117 K HA -0.185 4.135 4.320 0.001 0.000 0.206 117 K C 2.220 178.847 176.600 0.044 0.000 1.047 117 K CA 1.803 58.114 56.287 0.039 0.000 0.930 117 K CB -0.337 32.181 32.500 0.030 0.000 0.720 117 K HN 0.669 nan 8.250 nan 0.000 0.450 118 S N 0.362 116.086 115.700 0.041 0.000 2.561 118 S HA 0.033 4.504 4.470 0.001 0.000 0.225 118 S C 1.645 176.275 174.600 0.050 0.000 0.977 118 S CA 0.348 58.570 58.200 0.036 0.000 0.926 118 S CB -0.154 63.062 63.200 0.027 0.000 0.769 118 S HN 0.192 nan 8.310 nan 0.000 0.533 119 L N 0.787 122.065 121.223 0.091 0.000 2.509 119 L HA 0.227 4.568 4.340 0.001 0.000 0.222 119 L C 2.599 179.565 176.870 0.159 0.000 1.123 119 L CA 0.454 55.388 54.840 0.157 0.000 0.856 119 L CB -0.425 41.811 42.059 0.294 0.000 0.985 119 L HN 0.372 nan 8.230 nan 0.000 0.456 120 E N 1.287 121.557 120.200 0.118 0.000 2.136 120 E HA -0.257 4.093 4.350 0.001 0.000 0.202 120 E C -0.674 175.939 176.600 0.020 0.000 1.019 120 E CA 1.728 58.187 56.400 0.097 0.000 0.819 120 E CB -0.489 29.251 29.700 0.067 0.000 0.739 120 E HN 0.354 nan 8.360 nan 0.000 0.458 121 P HA -0.071 nan 4.420 nan 0.000 0.222 121 P C 0.869 178.055 177.300 -0.190 0.000 1.147 121 P CA 1.276 64.318 63.100 -0.097 0.000 0.790 121 P CB 0.180 31.830 31.700 -0.082 0.000 0.780 122 S N -2.126 113.396 115.700 -0.297 0.000 2.486 122 S HA 0.152 4.623 4.470 0.001 0.000 0.220 122 S C 0.409 174.521 174.600 -0.814 0.000 1.011 122 S CA 0.478 58.299 58.200 -0.632 0.000 0.921 122 S CB -0.266 62.361 63.200 -0.956 0.000 0.785 122 S HN 0.017 nan 8.310 nan 0.000 0.517 123 F N -0.181 119.734 119.950 -0.059 0.000 2.579 123 F HA 0.666 5.194 4.527 0.001 0.000 0.324 123 F C 1.313 177.110 175.800 -0.005 0.000 1.058 123 F CA -1.173 56.800 58.000 -0.046 0.000 0.944 123 F CB 0.959 39.938 39.000 -0.036 0.000 1.245 123 F HN -0.045 nan 8.300 nan 0.000 0.477 124 G N -0.448 108.494 108.800 0.238 0.000 2.986 124 G HA2 0.478 4.439 3.960 0.001 0.000 0.213 124 G HA3 0.478 4.439 3.960 0.001 0.000 0.213 124 G C 0.172 175.194 174.900 0.203 0.000 1.156 124 G CA 0.331 45.592 45.100 0.269 0.000 0.763 124 G HN 1.003 nan 8.290 nan 0.000 0.547 125 G N -0.431 108.457 108.800 0.146 0.000 2.601 125 G HA2 0.476 4.437 3.960 0.001 0.000 0.291 125 G HA3 0.476 4.437 3.960 0.001 0.000 0.291 125 G C -1.799 173.093 174.900 -0.015 0.000 1.456 125 G CA -0.657 44.486 45.100 0.073 0.000 0.804 125 G HN -0.002 nan 8.290 nan 0.000 0.499 126 I N 0.533 121.095 120.570 -0.013 0.000 2.646 126 I HA 0.467 4.638 4.170 0.001 0.000 0.299 126 I C -0.446 175.660 176.117 -0.018 0.000 1.036 126 I CA -1.057 60.192 61.300 -0.085 0.000 1.074 126 I CB 1.970 39.940 38.000 -0.051 0.000 1.258 126 I HN 0.668 nan 8.210 nan 0.000 0.430 127 N N 5.871 124.533 118.700 -0.064 0.000 2.682 127 N HA 0.394 5.135 4.740 0.001 0.000 0.252 127 N C -1.201 174.296 175.510 -0.023 0.000 1.081 127 N CA -0.482 52.600 53.050 0.053 0.000 0.844 127 N CB 0.949 39.494 38.487 0.096 0.000 1.167 127 N HN 0.470 nan 8.380 nan 0.000 0.523 128 L N 2.199 123.385 121.223 -0.062 0.000 2.534 128 L HA 0.125 4.466 4.340 0.001 0.000 0.271 128 L C 0.318 177.050 176.870 -0.230 0.000 1.178 128 L CA 0.481 55.182 54.840 -0.232 0.000 0.907 128 L CB 0.333 42.152 42.059 -0.399 0.000 1.164 128 L HN 0.559 nan 8.230 nan 0.000 0.482 129 E N 2.477 122.558 120.200 -0.199 0.000 2.288 129 E HA 0.204 4.555 4.350 0.001 0.000 0.268 129 E C -0.909 175.629 176.600 -0.105 0.000 0.885 129 E CA -0.611 55.736 56.400 -0.089 0.000 0.767 129 E CB 1.190 30.854 29.700 -0.061 0.000 1.220 129 E HN 0.415 nan 8.360 nan 0.000 0.427 130 D N 2.407 122.798 120.400 -0.014 0.000 2.829 130 D HA -0.215 4.425 4.640 0.001 0.000 0.219 130 D C -0.624 175.630 176.300 -0.077 0.000 1.239 130 D CA 1.108 55.093 54.000 -0.025 0.000 0.685 130 D CB -0.878 39.900 40.800 -0.037 0.000 0.950 130 D HN 0.376 nan 8.370 nan 0.000 0.398 131 I N 0.405 120.911 120.570 -0.107 0.000 2.389 131 I HA 0.311 4.482 4.170 0.001 0.000 0.288 131 I C 1.527 177.573 176.117 -0.117 0.000 0.999 131 I CA -0.756 60.449 61.300 -0.158 0.000 1.129 131 I CB 1.829 39.661 38.000 -0.280 0.000 1.288 131 I HN 0.072 nan 8.210 nan 0.000 0.444 132 G N 4.341 113.074 108.800 -0.111 0.000 2.771 132 G HA2 0.391 4.352 3.960 0.001 0.000 0.242 132 G HA3 0.391 4.352 3.960 0.001 0.000 0.242 132 G C -0.202 174.580 174.900 -0.196 0.000 1.233 132 G CA -0.135 44.892 45.100 -0.121 0.000 0.858 132 G HN 0.743 nan 8.290 nan 0.000 0.591 133 A N 0.798 123.484 122.820 -0.223 0.000 2.337 133 A HA 0.777 5.098 4.320 0.001 0.000 0.331 133 A C -0.829 176.660 177.584 -0.158 0.000 1.137 133 A CA -1.174 50.650 52.037 -0.356 0.000 0.807 133 A CB 1.516 20.260 19.000 -0.426 0.000 1.250 133 A HN 0.587 nan 8.150 nan 0.000 0.468 134 P HA 0.016 nan 4.420 nan 0.000 0.255 134 P C 0.705 177.926 177.300 -0.132 0.000 1.248 134 P CA 0.288 63.318 63.100 -0.117 0.000 0.807 134 P CB 0.184 32.032 31.700 0.245 0.000 1.150 135 K N 0.624 120.958 120.400 -0.110 0.000 2.280 135 K HA -0.124 4.196 4.320 0.001 0.000 0.202 135 K C 1.972 178.495 176.600 -0.129 0.000 1.047 135 K CA 1.557 57.806 56.287 -0.064 0.000 0.942 135 K CB -1.307 31.162 32.500 -0.051 0.000 0.739 135 K HN 0.254 nan 8.250 nan 0.000 0.457 136 C N -0.215 118.916 119.300 -0.281 0.000 2.419 136 C HA 0.062 4.523 4.460 0.001 0.000 0.283 136 C C 2.110 176.981 174.990 -0.197 0.000 1.373 136 C CA -0.377 58.482 59.018 -0.266 0.000 1.781 136 C CB -1.338 26.244 27.740 -0.265 0.000 1.886 136 C HN 0.318 nan 8.230 nan 0.000 0.520 137 F N 1.631 121.506 119.950 -0.125 0.000 2.084 137 F HA 0.074 4.601 4.527 0.001 0.000 0.296 137 F C 2.948 178.718 175.800 -0.050 0.000 1.111 137 F CA 1.852 59.747 58.000 -0.175 0.000 1.224 137 F CB -0.980 37.726 39.000 -0.490 0.000 0.991 137 F HN 0.119 nan 8.300 nan 0.000 0.471 138 R N 0.555 121.171 120.500 0.192 0.000 2.092 138 R HA -0.097 4.244 4.340 0.001 0.000 0.231 138 R C 2.238 178.586 176.300 0.081 0.000 1.119 138 R CA 1.232 57.417 56.100 0.143 0.000 0.970 138 R CB -0.410 29.969 30.300 0.131 0.000 0.864 138 R HN 0.268 nan 8.270 nan 0.000 0.440 139 I N 0.707 121.299 120.570 0.037 0.000 2.179 139 I HA -0.301 3.870 4.170 0.001 0.000 0.242 139 I C 2.292 178.418 176.117 0.015 0.000 1.088 139 I CA 0.813 62.114 61.300 0.001 0.000 1.357 139 I CB -0.346 37.621 38.000 -0.055 0.000 1.051 139 I HN 0.256 nan 8.210 nan 0.000 0.409 140 L N 0.795 122.036 121.223 0.031 0.000 2.017 140 L HA -0.259 4.082 4.340 0.001 0.000 0.208 140 L C 2.540 179.460 176.870 0.083 0.000 1.073 140 L CA 1.909 56.785 54.840 0.060 0.000 0.745 140 L CB -0.970 41.158 42.059 0.114 0.000 0.894 140 L HN 0.276 nan 8.230 nan 0.000 0.432 141 Q N -0.910 118.952 119.800 0.103 0.000 2.020 141 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 141 Q C 2.348 178.395 176.000 0.078 0.000 0.982 141 Q CA 1.620 57.483 55.803 0.101 0.000 0.838 141 Q CB -0.126 28.681 28.738 0.116 0.000 0.899 141 Q HN 0.429 nan 8.270 nan 0.000 0.423 142 R N 0.229 120.769 120.500 0.067 0.000 2.083 142 R HA -0.129 4.212 4.340 0.001 0.000 0.237 142 R C 2.458 178.787 176.300 0.048 0.000 1.137 142 R CA 1.198 57.330 56.100 0.053 0.000 0.951 142 R CB -0.869 29.458 30.300 0.044 0.000 0.851 142 R HN 0.384 nan 8.270 nan 0.000 0.434 143 L N 0.938 122.187 121.223 0.044 0.000 2.017 143 L HA -0.207 4.133 4.340 0.001 0.000 0.208 143 L C 2.627 179.531 176.870 0.056 0.000 1.073 143 L CA 1.850 56.715 54.840 0.042 0.000 0.745 143 L CB -0.601 41.475 42.059 0.028 0.000 0.894 143 L HN 0.282 nan 8.230 nan 0.000 0.432 144 S N -0.904 114.836 115.700 0.068 0.000 2.400 144 S HA -0.214 4.257 4.470 0.001 0.000 0.232 144 S C 1.668 176.311 174.600 0.072 0.000 1.025 144 S CA 1.336 59.585 58.200 0.081 0.000 0.993 144 S CB -0.351 62.907 63.200 0.096 0.000 0.808 144 S HN 0.495 nan 8.310 nan 0.000 0.478 145 E N 1.257 121.495 120.200 0.063 0.000 2.051 145 E HA -0.015 4.335 4.350 0.001 0.000 0.189 145 E C 2.131 178.761 176.600 0.051 0.000 0.979 145 E CA 1.022 57.455 56.400 0.056 0.000 0.803 145 E CB -0.113 29.618 29.700 0.051 0.000 0.761 145 E HN 0.647 nan 8.360 nan 0.000 0.451 146 E N -0.100 120.129 120.200 0.048 0.000 2.427 146 E HA -0.006 4.345 4.350 0.001 0.000 0.196 146 E C 0.205 176.833 176.600 0.048 0.000 1.028 146 E CA 0.409 56.836 56.400 0.044 0.000 0.864 146 E CB 0.245 29.968 29.700 0.038 0.000 0.813 146 E HN 0.193 nan 8.360 nan 0.000 0.514 147 M N -0.539 119.095 119.600 0.056 0.000 2.578 147 M HA 0.246 4.727 4.480 0.001 0.000 0.321 147 M C 0.456 176.799 176.300 0.072 0.000 1.182 147 M CA -0.240 55.097 55.300 0.063 0.000 0.965 147 M CB 1.632 34.272 32.600 0.067 0.000 1.694 147 M HN -0.154 nan 8.290 nan 0.000 0.461 148 N N 0.798 119.545 118.700 0.079 0.000 2.416 148 N HA 0.112 4.853 4.740 0.001 0.000 0.177 148 N C 0.199 175.777 175.510 0.114 0.000 1.036 148 N CA 0.149 53.254 53.050 0.091 0.000 0.901 148 N CB 0.268 38.810 38.487 0.093 0.000 0.976 148 N HN 0.519 nan 8.380 nan 0.000 0.444 149 I N -0.767 119.877 120.570 0.122 0.000 2.713 149 I HA 0.441 4.612 4.170 0.001 0.000 0.300 149 I C -2.450 173.739 176.117 0.120 0.000 1.009 149 I CA -2.419 58.967 61.300 0.144 0.000 1.305 149 I CB 0.730 38.826 38.000 0.160 0.000 1.430 149 I HN -0.264 nan 8.210 nan 0.000 0.546 150 P HA 0.119 nan 4.420 nan 0.000 0.271 150 P C -0.795 176.583 177.300 0.130 0.000 1.216 150 P CA -0.051 63.122 63.100 0.121 0.000 0.776 150 P CB 1.451 33.219 31.700 0.114 0.000 0.881 151 V N 4.629 124.635 119.914 0.154 0.000 2.487 151 V HA 0.476 4.597 4.120 0.001 0.000 0.298 151 V C -0.416 175.835 176.094 0.261 0.000 1.028 151 V CA -0.420 61.975 62.300 0.159 0.000 0.860 151 V CB 1.304 33.191 31.823 0.106 0.000 0.991 151 V HN 0.502 nan 8.190 nan 0.000 0.427 152 F N 3.457 123.456 119.950 0.082 0.000 2.576 152 F HA 0.622 5.150 4.527 0.001 0.000 0.313 152 F C -0.568 175.319 175.800 0.145 0.000 1.078 152 F CA -0.555 57.520 58.000 0.124 0.000 0.921 152 F CB 1.997 41.081 39.000 0.140 0.000 1.232 152 F HN 0.622 nan 8.300 nan 0.000 0.459 153 H N 5.350 124.040 119.070 -0.634 0.000 3.092 153 H HA 0.197 4.754 4.556 0.001 0.000 0.308 153 H C 0.068 174.971 175.328 -0.709 0.000 1.047 153 H CA -0.694 55.078 56.048 -0.460 0.000 1.466 153 H CB 0.916 30.518 29.762 -0.268 0.000 1.597 153 H HN 0.768 nan 8.280 nan 0.000 0.512 154 D N 3.666 123.847 120.400 -0.365 0.000 2.205 154 D HA -0.225 4.416 4.640 0.001 0.000 0.190 154 D C 0.954 177.056 176.300 -0.330 0.000 1.002 154 D CA 1.820 55.660 54.000 -0.266 0.000 0.848 154 D CB 0.237 41.011 40.800 -0.043 0.000 0.975 154 D HN 0.746 nan 8.370 nan 0.000 0.449 155 D N 0.374 120.567 120.400 -0.345 0.000 2.239 155 D HA -0.185 4.455 4.640 0.001 0.000 0.202 155 D C 1.998 178.035 176.300 -0.437 0.000 0.993 155 D CA 1.095 54.881 54.000 -0.356 0.000 0.874 155 D CB -0.080 40.543 40.800 -0.295 0.000 0.922 155 D HN 0.517 nan 8.370 nan 0.000 0.464 156 Q N 0.125 119.529 119.800 -0.660 0.000 2.080 156 Q HA 0.025 4.366 4.340 0.001 0.000 0.195 156 Q C 2.355 178.197 176.000 -0.264 0.000 0.989 156 Q CA 0.235 55.803 55.803 -0.390 0.000 0.838 156 Q CB -0.152 28.372 28.738 -0.357 0.000 0.915 156 Q HN 0.194 nan 8.270 nan 0.000 0.482 157 Q N 0.477 120.094 119.800 -0.304 0.000 2.119 157 Q HA -0.078 4.263 4.340 0.001 0.000 0.201 157 Q C 2.049 177.955 176.000 -0.156 0.000 0.972 157 Q CA 1.214 56.909 55.803 -0.180 0.000 0.847 157 Q CB -0.293 28.351 28.738 -0.156 0.000 0.903 157 Q HN 0.466 nan 8.270 nan 0.000 0.433 158 G N 0.645 109.303 108.800 -0.237 0.000 2.480 158 G HA2 -0.285 3.675 3.960 0.001 0.000 0.216 158 G HA3 -0.285 3.675 3.960 0.001 0.000 0.216 158 G C 1.413 176.307 174.900 -0.011 0.000 1.200 158 G CA 1.421 46.606 45.100 0.142 0.000 0.782 158 G HN 0.259 nan 8.290 nan 0.000 0.554 159 T N 1.873 116.361 114.554 -0.110 0.000 2.635 159 T HA -0.121 4.229 4.350 0.001 0.000 0.267 159 T C 2.798 177.371 174.700 -0.212 0.000 1.040 159 T CA 1.997 64.017 62.100 -0.133 0.000 1.156 159 T CB -0.589 68.195 68.868 -0.140 0.000 0.863 159 T HN 0.406 nan 8.240 nan 0.000 0.430 160 A N 0.762 123.371 122.820 -0.350 0.000 1.986 160 A HA -0.097 4.224 4.320 0.001 0.000 0.220 160 A C 2.583 179.714 177.584 -0.755 0.000 1.171 160 A CA 1.638 53.273 52.037 -0.670 0.000 0.640 160 A CB -1.017 17.306 19.000 -1.129 0.000 0.811 160 A HN 0.387 nan 8.150 nan 0.000 0.451 161 V N -0.468 119.150 119.914 -0.492 0.000 2.270 161 V HA -0.218 3.903 4.120 0.001 0.000 0.245 161 V C 2.580 178.609 176.094 -0.109 0.000 1.043 161 V CA 1.969 64.138 62.300 -0.217 0.000 1.014 161 V CB -0.918 30.909 31.823 0.007 0.000 0.645 161 V HN 0.387 nan 8.190 nan 0.000 0.447 162 V N -0.043 119.815 119.914 -0.092 0.000 2.287 162 V HA -0.230 3.891 4.120 0.001 0.000 0.248 162 V C 2.440 178.496 176.094 -0.063 0.000 1.053 162 V CA 1.932 64.188 62.300 -0.074 0.000 1.027 162 V CB -0.755 31.016 31.823 -0.087 0.000 0.646 162 V HN 0.399 nan 8.190 nan 0.000 0.447 163 V N 0.180 120.047 119.914 -0.078 0.000 2.287 163 V HA -0.268 3.852 4.120 0.001 0.000 0.248 163 V C 2.599 178.773 176.094 0.133 0.000 1.053 163 V CA 2.411 64.714 62.300 0.005 0.000 1.027 163 V CB -0.906 30.911 31.823 -0.010 0.000 0.646 163 V HN 0.562 nan 8.190 nan 0.000 0.447 164 S N 0.184 115.912 115.700 0.048 0.000 2.359 164 S HA -0.211 4.260 4.470 0.001 0.000 0.224 164 S C 2.249 176.990 174.600 0.234 0.000 1.035 164 S CA 1.509 59.805 58.200 0.159 0.000 1.018 164 S CB -0.615 62.666 63.200 0.135 0.000 0.876 164 S HN 0.669 nan 8.310 nan 0.000 0.448 165 A N 1.967 124.865 122.820 0.130 0.000 1.859 165 A HA -0.034 4.287 4.320 0.001 0.000 0.217 165 A C 2.429 180.094 177.584 0.137 0.000 1.198 165 A CA 2.070 54.171 52.037 0.106 0.000 0.629 165 A CB -1.441 17.581 19.000 0.038 0.000 0.830 165 A HN 0.547 nan 8.150 nan 0.000 0.446 166 A N -1.096 121.800 122.820 0.127 0.000 1.873 166 A HA -0.159 4.162 4.320 0.001 0.000 0.218 166 A C 2.087 179.927 177.584 0.426 0.000 1.193 166 A CA 2.009 54.144 52.037 0.162 0.000 0.629 166 A CB -0.921 18.029 19.000 -0.083 0.000 0.826 166 A HN 0.845 nan 8.150 nan 0.000 0.447 167 F N 0.693 120.883 119.950 0.402 0.000 2.043 167 F HA -0.227 4.301 4.527 0.002 0.000 0.297 167 F C 2.007 177.906 175.800 0.164 0.000 1.121 167 F CA 2.026 60.201 58.000 0.292 0.000 1.199 167 F CB -0.513 38.540 39.000 0.089 0.000 0.968 167 F HN 0.170 nan 8.300 nan 0.000 0.478 168 L N 0.179 121.427 121.223 0.040 0.000 2.013 168 L HA -0.319 4.022 4.340 0.001 0.000 0.212 168 L C 2.405 179.230 176.870 -0.075 0.000 1.073 168 L CA 1.745 56.532 54.840 -0.087 0.000 0.753 168 L CB -1.021 41.081 42.059 0.071 0.000 0.890 168 L HN 0.248 nan 8.230 nan 0.000 0.432 169 N N 0.180 118.891 118.700 0.019 0.000 2.084 169 N HA -0.154 4.587 4.740 0.001 0.000 0.190 169 N C 1.865 177.395 175.510 0.034 0.000 1.030 169 N CA 1.618 54.684 53.050 0.027 0.000 0.849 169 N CB -0.329 38.183 38.487 0.042 0.000 1.012 169 N HN 0.324 nan 8.380 nan 0.000 0.423 170 A N 1.147 124.018 122.820 0.085 0.000 1.902 170 A HA -0.109 4.212 4.320 0.001 0.000 0.217 170 A C 2.260 179.906 177.584 0.103 0.000 1.181 170 A CA 0.997 53.102 52.037 0.114 0.000 0.623 170 A CB -0.749 18.403 19.000 0.253 0.000 0.818 170 A HN 0.239 nan 8.150 nan 0.000 0.443 171 L N -0.026 121.187 121.223 -0.016 0.000 2.042 171 L HA -0.167 4.174 4.340 0.001 0.000 0.210 171 L C 2.305 179.183 176.870 0.014 0.000 1.076 171 L CA 2.571 57.393 54.840 -0.031 0.000 0.749 171 L CB -0.495 41.286 42.059 -0.462 0.000 0.893 171 L HN 0.462 nan 8.230 nan 0.000 0.432 172 K N -0.593 119.802 120.400 -0.008 0.000 2.032 172 K HA -0.175 4.146 4.320 0.001 0.000 0.209 172 K C 2.053 178.693 176.600 0.066 0.000 1.048 172 K CA 1.879 58.179 56.287 0.021 0.000 0.927 172 K CB -0.270 32.239 32.500 0.015 0.000 0.712 172 K HN 0.410 nan 8.250 nan 0.000 0.441 173 L N 0.071 121.355 121.223 0.101 0.000 2.265 173 L HA -0.134 4.207 4.340 0.001 0.000 0.215 173 L C 2.381 179.422 176.870 0.284 0.000 1.117 173 L CA 1.091 56.043 54.840 0.186 0.000 0.782 173 L CB -0.422 41.740 42.059 0.172 0.000 0.914 173 L HN 0.269 nan 8.230 nan 0.000 0.441 174 T N -1.159 113.533 114.554 0.230 0.000 3.043 174 T HA -0.049 4.301 4.350 0.001 0.000 0.263 174 T C 0.824 175.553 174.700 0.048 0.000 1.094 174 T CA 0.378 62.569 62.100 0.151 0.000 1.127 174 T CB 0.020 68.973 68.868 0.142 0.000 0.905 174 T HN 0.417 nan 8.240 nan 0.000 0.490 175 E N 0.181 120.415 120.200 0.057 0.000 3.170 175 E HA -0.173 4.178 4.350 0.001 0.000 0.284 175 E C -0.131 176.485 176.600 0.026 0.000 0.967 175 E CA 0.562 56.979 56.400 0.029 0.000 0.919 175 E CB -1.063 28.642 29.700 0.008 0.000 1.469 175 E HN 0.531 nan 8.360 nan 0.000 0.444 176 K N 0.809 121.238 120.400 0.048 0.000 2.098 176 K HA 0.387 4.708 4.320 0.001 0.000 0.244 176 K C 0.249 176.878 176.600 0.047 0.000 1.014 176 K CA -0.540 55.780 56.287 0.054 0.000 0.917 176 K CB 0.820 33.377 32.500 0.097 0.000 1.072 176 K HN -0.086 nan 8.250 nan 0.000 0.477 177 K N 1.529 121.956 120.400 0.044 0.000 2.234 177 K HA 0.116 4.437 4.320 0.001 0.000 0.282 177 K C 1.068 177.695 176.600 0.045 0.000 1.039 177 K CA -0.104 56.204 56.287 0.035 0.000 0.928 177 K CB 0.987 33.505 32.500 0.029 0.000 1.039 177 K HN 0.548 nan 8.250 nan 0.000 0.470 178 I N 2.747 123.340 120.570 0.038 0.000 2.163 178 I HA -0.251 3.920 4.170 0.001 0.000 0.243 178 I C 1.888 178.039 176.117 0.057 0.000 1.085 178 I CA 1.644 62.980 61.300 0.060 0.000 1.347 178 I CB 0.155 38.197 38.000 0.071 0.000 1.044 178 I HN 0.692 nan 8.210 nan 0.000 0.408 179 E N 0.951 121.174 120.200 0.038 0.000 2.438 179 E HA -0.139 4.212 4.350 0.001 0.000 0.192 179 E C 0.488 177.104 176.600 0.027 0.000 1.110 179 E CA 0.524 56.939 56.400 0.026 0.000 0.893 179 E CB -0.132 29.578 29.700 0.016 0.000 0.990 179 E HN 0.691 nan 8.360 nan 0.000 0.490 180 E N 0.261 120.484 120.200 0.039 0.000 2.676 180 E HA 0.105 4.456 4.350 0.001 0.000 0.225 180 E C 0.300 176.937 176.600 0.061 0.000 0.944 180 E CA 0.033 56.458 56.400 0.041 0.000 1.156 180 E CB 1.456 31.178 29.700 0.037 0.000 1.117 180 E HN 0.184 nan 8.360 nan 0.000 0.523 181 V N -0.305 119.658 119.914 0.081 0.000 2.716 181 V HA 0.432 4.553 4.120 0.001 0.000 0.304 181 V C -0.129 176.027 176.094 0.103 0.000 1.053 181 V CA -0.894 61.482 62.300 0.126 0.000 0.984 181 V CB 1.803 33.745 31.823 0.198 0.000 1.021 181 V HN 0.001 nan 8.190 nan 0.000 0.467 182 K N 2.696 123.176 120.400 0.134 0.000 2.263 182 K HA 0.649 4.970 4.320 0.001 0.000 0.272 182 K C -1.482 175.206 176.600 0.146 0.000 1.033 182 K CA -0.544 55.805 56.287 0.103 0.000 0.884 182 K CB 1.553 34.107 32.500 0.089 0.000 1.107 182 K HN 0.714 nan 8.250 nan 0.000 0.460 183 V N 5.035 124.992 119.914 0.071 0.000 2.384 183 V HA 0.265 4.386 4.120 0.001 0.000 0.287 183 V C -0.373 175.739 176.094 0.030 0.000 1.020 183 V CA -0.999 61.337 62.300 0.060 0.000 0.850 183 V CB 1.558 33.311 31.823 -0.117 0.000 0.987 183 V HN 0.497 nan 8.190 nan 0.000 0.436 184 V N 5.770 125.732 119.914 0.081 0.000 2.383 184 V HA 0.362 4.483 4.120 0.001 0.000 0.275 184 V C 0.009 176.056 176.094 -0.078 0.000 1.036 184 V CA -0.502 61.836 62.300 0.064 0.000 0.889 184 V CB 1.593 33.546 31.823 0.216 0.000 0.985 184 V HN 0.613 nan 8.190 nan 0.000 0.459 185 V N 4.688 124.545 119.914 -0.094 0.000 2.311 185 V HA 0.328 4.448 4.120 0.001 0.000 0.275 185 V C 0.078 176.105 176.094 -0.112 0.000 1.022 185 V CA -0.574 61.631 62.300 -0.159 0.000 0.830 185 V CB 1.190 32.945 31.823 -0.113 0.000 1.012 185 V HN 0.899 nan 8.190 nan 0.000 0.452 186 N N 3.535 122.120 118.700 -0.192 0.000 2.419 186 N HA 0.596 5.337 4.740 0.001 0.000 0.264 186 N C 0.214 175.722 175.510 -0.004 0.000 1.031 186 N CA 0.990 54.025 53.050 -0.025 0.000 0.951 186 N CB 1.264 39.819 38.487 0.113 0.000 1.101 186 N HN 1.036 nan 8.380 nan 0.000 0.488 187 G N 3.686 112.510 108.800 0.040 0.000 2.830 187 G HA2 -0.131 3.830 3.960 0.001 0.000 0.298 187 G HA3 -0.131 3.830 3.960 0.001 0.000 0.298 187 G C -0.472 174.455 174.900 0.046 0.000 1.031 187 G CA -0.686 44.442 45.100 0.046 0.000 1.179 187 G HN 0.515 nan 8.290 nan 0.000 0.527 188 I N 2.623 123.234 120.570 0.069 0.000 2.320 188 I HA 0.292 4.463 4.170 0.001 0.000 0.283 188 I C 1.459 177.660 176.117 0.141 0.000 1.086 188 I CA 0.564 61.925 61.300 0.101 0.000 1.539 188 I CB -0.668 37.397 38.000 0.109 0.000 1.504 188 I HN 0.475 nan 8.210 nan 0.000 0.661 189 G N 1.540 110.412 108.800 0.120 0.000 2.882 189 G HA2 0.449 4.409 3.960 0.001 0.000 0.164 189 G HA3 0.449 4.409 3.960 0.001 0.000 0.164 189 G C 1.129 176.148 174.900 0.199 0.000 1.429 189 G CA 0.360 45.534 45.100 0.124 0.000 1.059 189 G HN 0.351 nan 8.290 nan 0.000 0.581 190 A N -0.606 122.238 122.820 0.039 0.000 1.908 190 A HA 0.143 4.464 4.320 0.001 0.000 0.218 190 A C 2.613 180.230 177.584 0.055 0.000 1.181 190 A CA 2.941 54.944 52.037 -0.056 0.000 0.627 190 A CB -0.900 17.952 19.000 -0.246 0.000 0.818 190 A HN 1.125 nan 8.150 nan 0.000 0.445 191 A N -0.939 121.885 122.820 0.005 0.000 1.871 191 A HA 0.331 4.652 4.320 0.001 0.000 0.211 191 A C 2.452 180.057 177.584 0.036 0.000 1.207 191 A CA 1.471 53.498 52.037 -0.018 0.000 0.620 191 A CB -1.468 17.498 19.000 -0.057 0.000 0.860 191 A HN 0.750 nan 8.150 nan 0.000 0.450 192 G N -0.792 108.039 108.800 0.053 0.000 2.599 192 G HA2 -0.391 3.570 3.960 0.001 0.000 0.219 192 G HA3 -0.391 3.570 3.960 0.001 0.000 0.219 192 G C 1.506 176.457 174.900 0.084 0.000 1.193 192 G CA 1.614 46.745 45.100 0.050 0.000 0.778 192 G HN 0.541 nan 8.290 nan 0.000 0.589 193 Y N 2.188 122.495 120.300 0.012 0.000 2.002 193 Y HA -0.290 4.261 4.550 0.001 0.000 0.268 193 Y C 2.873 178.759 175.900 -0.023 0.000 1.177 193 Y CA 2.564 60.635 58.100 -0.048 0.000 1.111 193 Y CB -0.502 37.859 38.460 -0.165 0.000 0.952 193 Y HN 0.199 nan 8.280 nan 0.000 0.491 194 N N 0.381 119.175 118.700 0.157 0.000 2.104 194 N HA -0.215 4.526 4.740 0.001 0.000 0.190 194 N C 2.010 177.573 175.510 0.089 0.000 1.024 194 N CA 1.957 55.078 53.050 0.117 0.000 0.853 194 N CB -0.417 38.165 38.487 0.158 0.000 1.008 194 N HN 0.475 nan 8.380 nan 0.000 0.424 195 I N 0.854 121.414 120.570 -0.017 0.000 2.208 195 I HA -0.242 3.929 4.170 0.001 0.000 0.245 195 I C 2.223 178.312 176.117 -0.047 0.000 1.097 195 I CA 0.878 62.138 61.300 -0.066 0.000 1.363 195 I CB -0.365 37.581 38.000 -0.089 0.000 1.051 195 I HN -0.086 nan 8.210 nan 0.000 0.413 196 V N 1.042 120.905 119.914 -0.086 0.000 2.233 196 V HA -0.311 3.810 4.120 0.001 0.000 0.247 196 V C 2.459 178.484 176.094 -0.115 0.000 1.050 196 V CA 1.920 64.145 62.300 -0.125 0.000 1.010 196 V CB -0.710 31.021 31.823 -0.153 0.000 0.637 196 V HN 0.390 nan 8.190 nan 0.000 0.444 197 K N -0.913 119.403 120.400 -0.140 0.000 2.113 197 K HA -0.212 4.109 4.320 0.001 0.000 0.208 197 K C 2.071 178.623 176.600 -0.080 0.000 1.047 197 K CA 1.869 58.070 56.287 -0.144 0.000 0.928 197 K CB -0.390 31.986 32.500 -0.208 0.000 0.716 197 K HN 0.366 nan 8.250 nan 0.000 0.446 198 F N 1.253 121.117 119.950 -0.144 0.000 2.113 198 F HA -0.128 4.400 4.527 0.001 0.000 0.297 198 F C 2.144 177.860 175.800 -0.141 0.000 1.103 198 F CA 1.108 59.043 58.000 -0.109 0.000 1.248 198 F CB -0.403 38.547 39.000 -0.084 0.000 0.999 198 F HN -0.084 nan 8.300 nan 0.000 0.475 199 L N -0.603 120.609 121.223 -0.018 0.000 2.079 199 L HA -0.258 4.082 4.340 0.001 0.000 0.210 199 L C 2.360 179.146 176.870 -0.140 0.000 1.081 199 L CA 1.098 55.818 54.840 -0.200 0.000 0.752 199 L CB -0.788 41.057 42.059 -0.356 0.000 0.896 199 L HN 0.196 nan 8.230 nan 0.000 0.433 200 L N -0.710 120.444 121.223 -0.116 0.000 2.005 200 L HA -0.214 4.126 4.340 0.001 0.000 0.207 200 L C 2.360 179.177 176.870 -0.089 0.000 1.072 200 L CA 1.179 55.958 54.840 -0.101 0.000 0.744 200 L CB -0.724 41.271 42.059 -0.108 0.000 0.895 200 L HN 0.281 nan 8.230 nan 0.000 0.433 201 D N 0.423 120.755 120.400 -0.113 0.000 2.106 201 D HA -0.197 4.444 4.640 0.001 0.000 0.191 201 D C 2.393 178.653 176.300 -0.067 0.000 0.997 201 D CA 1.330 55.258 54.000 -0.120 0.000 0.834 201 D CB -0.313 40.357 40.800 -0.217 0.000 0.956 201 D HN 0.245 nan 8.370 nan 0.000 0.448 202 L N -0.645 120.557 121.223 -0.035 0.000 2.043 202 L HA -0.118 4.223 4.340 0.001 0.000 0.212 202 L C 1.862 178.744 176.870 0.021 0.000 1.075 202 L CA 1.621 56.473 54.840 0.021 0.000 0.752 202 L CB -0.251 41.857 42.059 0.081 0.000 0.891 202 L HN 0.296 nan 8.230 nan 0.000 0.432 203 G N -2.031 106.769 108.800 0.000 0.000 2.834 203 G HA2 -0.104 3.857 3.960 0.001 0.000 0.217 203 G HA3 -0.104 3.857 3.960 0.001 0.000 0.217 203 G C -0.106 174.796 174.900 0.003 0.000 0.974 203 G CA -0.369 44.735 45.100 0.005 0.000 0.826 203 G HN -0.012 nan 8.290 nan 0.000 0.584 204 V N 1.901 121.801 119.914 -0.024 0.000 2.614 204 V HA 0.348 4.469 4.120 0.001 0.000 0.291 204 V C 1.206 177.274 176.094 -0.044 0.000 1.049 204 V CA 0.156 62.432 62.300 -0.039 0.000 1.038 204 V CB 1.607 33.348 31.823 -0.137 0.000 0.980 204 V HN 0.164 nan 8.190 nan 0.000 0.481 205 K N 2.731 123.116 120.400 -0.025 0.000 2.225 205 K HA 0.119 4.440 4.320 0.001 0.000 0.204 205 K C 0.789 177.374 176.600 -0.025 0.000 1.047 205 K CA 0.413 56.686 56.287 -0.023 0.000 0.970 205 K CB -0.040 32.455 32.500 -0.009 0.000 0.939 205 K HN 0.562 nan 8.250 nan 0.000 0.472 206 N N 1.727 120.418 118.700 -0.014 0.000 2.918 206 N HA 0.098 4.839 4.740 0.001 0.000 0.247 206 N C -1.473 174.026 175.510 -0.019 0.000 1.117 206 N CA -0.067 52.978 53.050 -0.009 0.000 1.005 206 N CB 0.215 38.708 38.487 0.009 0.000 1.297 206 N HN -0.252 nan 8.380 nan 0.000 0.513 207 V N 2.702 122.593 119.914 -0.039 0.000 2.394 207 V HA 0.396 4.517 4.120 0.001 0.000 0.282 207 V C -0.043 176.031 176.094 -0.034 0.000 1.031 207 V CA -0.839 61.428 62.300 -0.055 0.000 0.881 207 V CB 1.586 33.354 31.823 -0.092 0.000 0.982 207 V HN 0.169 nan 8.190 nan 0.000 0.451 208 V N 4.389 124.292 119.914 -0.018 0.000 2.357 208 V HA 0.660 4.780 4.120 0.001 0.000 0.284 208 V C 0.497 176.590 176.094 -0.002 0.000 1.018 208 V CA -0.615 61.684 62.300 -0.002 0.000 0.841 208 V CB 1.508 33.343 31.823 0.019 0.000 0.991 208 V HN 0.974 nan 8.190 nan 0.000 0.437 209 A N 5.224 128.042 122.820 -0.003 0.000 2.366 209 A HA 0.759 5.080 4.320 0.001 0.000 0.272 209 A C -0.450 177.150 177.584 0.026 0.000 1.135 209 A CA -0.289 51.750 52.037 0.004 0.000 0.804 209 A CB 0.733 19.736 19.000 0.005 0.000 1.064 209 A HN 0.725 nan 8.150 nan 0.000 0.499 210 V N 3.668 123.604 119.914 0.038 0.000 2.577 210 V HA 0.440 4.561 4.120 0.001 0.000 0.303 210 V C -0.263 175.871 176.094 0.067 0.000 1.042 210 V CA -0.614 61.722 62.300 0.060 0.000 0.872 210 V CB 1.639 33.517 31.823 0.092 0.000 0.998 210 V HN 1.087 nan 8.190 nan 0.000 0.423 211 D N 2.464 122.904 120.400 0.066 0.000 2.846 211 D HA 0.379 5.020 4.640 0.001 0.000 0.273 211 D C 0.806 177.147 176.300 0.069 0.000 1.145 211 D CA -0.678 53.364 54.000 0.070 0.000 1.091 211 D CB 1.755 42.595 40.800 0.067 0.000 1.364 211 D HN 0.210 nan 8.370 nan 0.000 0.613 212 R N 0.183 120.722 120.500 0.065 0.000 2.139 212 R HA -0.100 4.241 4.340 0.001 0.000 0.243 212 R C 1.005 177.335 176.300 0.051 0.000 1.145 212 R CA 1.165 57.301 56.100 0.059 0.000 0.976 212 R CB -0.257 30.075 30.300 0.053 0.000 0.866 212 R HN 0.253 nan 8.270 nan 0.000 0.449 213 K N 0.296 120.724 120.400 0.046 0.000 2.493 213 K HA 0.251 4.572 4.320 0.001 0.000 0.207 213 K C 0.818 177.436 176.600 0.031 0.000 1.033 213 K CA 0.487 56.796 56.287 0.036 0.000 1.161 213 K CB 0.374 32.894 32.500 0.032 0.000 0.873 213 K HN 0.319 nan 8.250 nan 0.000 0.491 214 G N 1.573 110.395 108.800 0.037 0.000 2.660 214 G HA2 -0.266 3.695 3.960 0.001 0.000 0.215 214 G HA3 -0.266 3.695 3.960 0.001 0.000 0.215 214 G C -0.247 174.670 174.900 0.030 0.000 1.345 214 G CA -0.793 44.324 45.100 0.029 0.000 0.877 214 G HN 0.212 nan 8.290 nan 0.000 0.549 215 I N 0.531 121.113 120.570 0.020 0.000 2.821 215 I HA 0.020 4.190 4.170 0.001 0.000 0.294 215 I C 0.747 176.875 176.117 0.019 0.000 1.210 215 I CA -0.231 61.081 61.300 0.019 0.000 1.430 215 I CB 0.110 38.116 38.000 0.009 0.000 1.356 215 I HN 0.339 nan 8.210 nan 0.000 0.563 216 L N 8.057 129.294 121.223 0.023 0.000 2.433 216 L HA 0.163 4.504 4.340 0.001 0.000 0.275 216 L C 0.351 177.229 176.870 0.014 0.000 1.128 216 L CA 0.771 55.625 54.840 0.023 0.000 0.875 216 L CB -0.432 41.645 42.059 0.030 0.000 1.171 216 L HN 0.560 nan 8.230 nan 0.000 0.463 217 N N 2.380 121.087 118.700 0.012 0.000 2.397 217 N HA 0.097 4.838 4.740 0.001 0.000 0.291 217 N C 0.633 176.146 175.510 0.005 0.000 1.065 217 N CA -0.374 52.679 53.050 0.006 0.000 0.884 217 N CB 1.737 40.226 38.487 0.003 0.000 1.551 217 N HN 0.500 nan 8.380 nan 0.000 0.487 218 E N 3.015 123.216 120.200 0.002 0.000 2.065 218 E HA -0.234 4.117 4.350 0.001 0.000 0.201 218 E C 0.854 177.453 176.600 -0.001 0.000 1.016 218 E CA 1.732 58.131 56.400 -0.000 0.000 0.818 218 E CB -0.027 29.671 29.700 -0.004 0.000 0.749 218 E HN 0.706 nan 8.360 nan 0.000 0.453 219 N N 0.718 119.418 118.700 -0.001 0.000 2.021 219 N HA -0.143 4.598 4.740 0.001 0.000 0.198 219 N C 0.098 175.608 175.510 0.000 0.000 1.041 219 N CA 1.098 54.147 53.050 -0.002 0.000 0.862 219 N CB -0.153 38.333 38.487 -0.002 0.000 1.048 219 N HN 0.147 nan 8.380 nan 0.000 0.427 220 D N 1.783 122.184 120.400 0.002 0.000 2.470 220 D HA 0.045 4.685 4.640 0.001 0.000 0.226 220 D C -1.545 174.759 176.300 0.006 0.000 1.196 220 D CA -1.088 52.914 54.000 0.003 0.000 0.979 220 D CB 0.716 41.518 40.800 0.004 0.000 1.059 220 D HN 0.360 nan 8.370 nan 0.000 0.515 221 P HA -0.143 nan 4.420 nan 0.000 0.229 221 P C 1.010 178.316 177.300 0.010 0.000 1.150 221 P CA 0.670 63.773 63.100 0.006 0.000 0.765 221 P CB 0.676 32.377 31.700 0.003 0.000 0.783 222 E N 0.294 120.501 120.200 0.011 0.000 2.077 222 E HA -0.127 4.223 4.350 0.001 0.000 0.193 222 E C 2.078 178.690 176.600 0.020 0.000 0.989 222 E CA 2.135 58.543 56.400 0.014 0.000 0.800 222 E CB -1.271 28.436 29.700 0.012 0.000 0.746 222 E HN 0.456 nan 8.360 nan 0.000 0.452 223 T N -1.596 112.970 114.554 0.020 0.000 2.951 223 T HA -0.063 4.288 4.350 0.001 0.000 0.268 223 T C 1.547 176.267 174.700 0.033 0.000 1.073 223 T CA 0.371 62.488 62.100 0.027 0.000 1.134 223 T CB -0.481 68.401 68.868 0.024 0.000 0.884 223 T HN -0.009 nan 8.240 nan 0.000 0.479 224 C N 3.113 122.429 119.300 0.027 0.000 2.518 224 C HA 0.472 4.933 4.460 0.001 0.000 0.456 224 C C 1.932 176.941 174.990 0.031 0.000 1.016 224 C CA -1.220 57.816 59.018 0.030 0.000 1.210 224 C CB -2.338 25.412 27.740 0.017 0.000 1.542 224 C HN 0.532 nan 8.230 nan 0.000 0.545 225 L N 2.368 123.618 121.223 0.046 0.000 1.863 225 L HA -0.076 4.265 4.340 0.001 0.000 0.225 225 L C 1.396 178.294 176.870 0.046 0.000 1.098 225 L CA 1.337 56.206 54.840 0.048 0.000 0.814 225 L CB -0.679 41.418 42.059 0.063 0.000 0.888 225 L HN 0.647 nan 8.230 nan 0.000 0.431 226 N N -0.199 118.545 118.700 0.074 0.000 2.418 226 N HA -0.002 4.739 4.740 0.001 0.000 0.283 226 N C 0.354 175.861 175.510 -0.005 0.000 1.267 226 N CA -0.434 52.650 53.050 0.057 0.000 0.975 226 N CB -0.052 38.516 38.487 0.135 0.000 1.167 226 N HN 0.334 nan 8.380 nan 0.000 0.581 227 E N -1.855 118.258 120.200 -0.145 0.000 2.526 227 E HA -0.156 4.195 4.350 0.001 0.000 0.205 227 E C -0.598 175.778 176.600 -0.373 0.000 1.104 227 E CA 0.683 56.902 56.400 -0.302 0.000 0.899 227 E CB -0.573 28.853 29.700 -0.457 0.000 0.838 227 E HN 0.547 nan 8.360 nan 0.000 0.564 232 I N 2.279 122.894 120.570 0.074 0.000 2.454 232 I HA -0.100 4.070 4.170 0.001 0.000 0.254 232 I C 2.508 178.625 176.117 -0.000 0.000 1.156 232 I CA 1.694 63.002 61.300 0.013 0.000 1.433 232 I CB -1.324 36.699 38.000 0.038 0.000 1.082 232 I HN 0.257 nan 8.210 nan 0.000 0.432 233 A N 0.557 123.386 122.820 0.016 0.000 2.014 233 A HA -0.121 4.200 4.320 0.001 0.000 0.218 233 A C 2.398 179.979 177.584 -0.005 0.000 1.163 233 A CA 0.830 52.870 52.037 0.006 0.000 0.652 233 A CB -0.404 18.603 19.000 0.013 0.000 0.808 233 A HN 0.328 nan 8.150 nan 0.000 0.449 234 R N -0.384 120.112 120.500 -0.007 0.000 2.240 234 R HA 0.141 4.482 4.340 0.001 0.000 0.203 234 R C 1.414 177.701 176.300 -0.022 0.000 1.011 234 R CA 1.209 57.301 56.100 -0.013 0.000 1.007 234 R CB -0.192 30.101 30.300 -0.012 0.000 0.911 234 R HN 0.791 nan 8.270 nan 0.000 0.468 235 I N -2.488 118.063 120.570 -0.030 0.000 4.025 235 I HA 0.265 4.436 4.170 0.001 0.000 0.336 235 I C 0.195 176.283 176.117 -0.048 0.000 1.390 235 I CA -0.361 60.913 61.300 -0.044 0.000 1.099 235 I CB 0.615 38.578 38.000 -0.062 0.000 1.049 235 I HN -0.124 nan 8.210 nan 0.000 0.394 236 T N -2.739 111.792 114.554 -0.038 0.000 2.669 236 T HA 0.397 4.748 4.350 0.001 0.000 0.283 236 T C 0.107 174.793 174.700 -0.023 0.000 1.019 236 T CA -0.585 61.493 62.100 -0.037 0.000 1.039 236 T CB 0.975 69.818 68.868 -0.041 0.000 1.374 236 T HN 0.141 nan 8.240 nan 0.000 0.523 237 N N 1.899 120.587 118.700 -0.019 0.000 2.642 237 N HA -0.097 4.644 4.740 0.001 0.000 0.269 237 N C -1.424 174.079 175.510 -0.010 0.000 1.073 237 N CA 0.662 53.705 53.050 -0.011 0.000 0.748 237 N CB -0.413 38.070 38.487 -0.006 0.000 0.894 237 N HN 0.575 nan 8.380 nan 0.000 0.548 238 P HA -0.100 nan 4.420 nan 0.000 0.218 238 P C 0.317 177.614 177.300 -0.006 0.000 1.152 238 P CA 1.032 64.126 63.100 -0.009 0.000 0.826 238 P CB 0.133 31.827 31.700 -0.010 0.000 0.790 239 E N 0.486 120.684 120.200 -0.003 0.000 2.505 239 E HA -0.007 4.343 4.350 0.001 0.000 0.197 239 E C 0.093 176.691 176.600 -0.003 0.000 1.111 239 E CA -0.162 56.236 56.400 -0.002 0.000 0.887 239 E CB -0.561 29.139 29.700 0.001 0.000 0.913 239 E HN 0.188 nan 8.360 nan 0.000 0.517 240 R N 0.343 120.841 120.500 -0.004 0.000 3.484 240 R HA -0.222 4.119 4.340 0.001 0.000 0.260 240 R C -0.022 176.275 176.300 -0.005 0.000 1.053 240 R CA 0.342 56.440 56.100 -0.005 0.000 0.703 240 R CB -2.497 27.800 30.300 -0.005 0.000 1.089 240 R HN 0.285 nan 8.270 nan 0.000 0.459 241 L N -0.092 121.129 121.223 -0.004 0.000 2.472 241 L HA 0.183 4.524 4.340 0.001 0.000 0.273 241 L C 1.019 177.885 176.870 -0.006 0.000 1.254 241 L CA 0.468 55.304 54.840 -0.006 0.000 0.823 241 L CB 0.436 42.493 42.059 -0.004 0.000 1.096 241 L HN 0.201 nan 8.230 nan 0.000 0.521 242 S N -0.931 114.763 115.700 -0.011 0.000 2.542 242 S HA 0.745 5.216 4.470 0.001 0.000 0.276 242 S C -0.581 174.008 174.600 -0.019 0.000 1.148 242 S CA 0.153 58.346 58.200 -0.011 0.000 0.886 242 S CB 1.518 64.713 63.200 -0.009 0.000 1.109 242 S HN 1.242 nan 8.310 nan 0.000 0.458 243 G N 3.458 112.247 108.800 -0.019 0.000 2.278 243 G HA2 0.184 4.144 3.960 0.001 0.000 0.265 243 G HA3 0.184 4.144 3.960 0.001 0.000 0.265 243 G C -1.608 173.272 174.900 -0.033 0.000 1.329 243 G CA 0.058 45.139 45.100 -0.032 0.000 1.017 243 G HN 0.956 nan 8.290 nan 0.000 0.472 244 D N -0.536 119.828 120.400 -0.060 0.000 2.529 244 D HA 0.486 5.127 4.640 0.001 0.000 0.273 244 D C 1.805 178.056 176.300 -0.082 0.000 1.197 244 D CA -0.326 53.637 54.000 -0.061 0.000 1.070 244 D CB 1.268 42.018 40.800 -0.084 0.000 1.134 244 D HN 0.675 nan 8.370 nan 0.000 0.590 245 L N 0.317 121.504 121.223 -0.061 0.000 1.990 245 L HA -0.199 4.142 4.340 0.001 0.000 0.213 245 L C 2.374 179.130 176.870 -0.191 0.000 1.072 245 L CA 2.233 57.057 54.840 -0.026 0.000 0.755 245 L CB -1.024 41.102 42.059 0.110 0.000 0.889 245 L HN 0.710 nan 8.230 nan 0.000 0.432 246 E N -1.559 118.308 120.200 -0.555 0.000 2.171 246 E HA -0.244 4.107 4.350 0.001 0.000 0.197 246 E C 1.806 178.158 176.600 -0.413 0.000 0.997 246 E CA 1.733 57.618 56.400 -0.858 0.000 0.810 246 E CB -0.045 28.822 29.700 -1.388 0.000 0.738 246 E HN 0.637 nan 8.360 nan 0.000 0.467 247 T N 0.110 114.502 114.554 -0.269 0.000 2.777 247 T HA -0.050 4.301 4.350 0.001 0.000 0.266 247 T C 1.795 176.444 174.700 -0.086 0.000 1.040 247 T CA 1.187 63.196 62.100 -0.152 0.000 1.141 247 T CB -0.182 68.621 68.868 -0.108 0.000 0.868 247 T HN 0.315 nan 8.240 nan 0.000 0.444 248 A N 0.815 123.602 122.820 -0.055 0.000 2.121 248 A HA 0.176 4.497 4.320 0.001 0.000 0.218 248 A C 2.071 179.675 177.584 0.034 0.000 1.154 248 A CA 0.776 52.816 52.037 0.004 0.000 0.679 248 A CB -0.653 18.369 19.000 0.037 0.000 0.795 248 A HN 0.481 nan 8.150 nan 0.000 0.458 249 L N -0.213 121.020 121.223 0.016 0.000 2.554 249 L HA 0.025 4.366 4.340 0.001 0.000 0.226 249 L C 0.178 177.069 176.870 0.035 0.000 1.137 249 L CA -0.041 54.834 54.840 0.059 0.000 0.863 249 L CB -0.187 41.912 42.059 0.066 0.000 0.985 249 L HN 0.382 nan 8.230 nan 0.000 0.451 250 E N 0.536 120.736 120.200 -0.000 0.000 2.383 250 E HA 0.118 4.469 4.350 0.001 0.000 0.257 250 E C 1.133 177.744 176.600 0.019 0.000 1.079 250 E CA 0.575 56.974 56.400 -0.001 0.000 0.934 250 E CB 0.290 29.977 29.700 -0.022 0.000 0.978 250 E HN 0.336 nan 8.360 nan 0.000 0.462 251 G N 2.756 111.572 108.800 0.026 0.000 2.189 251 G HA2 -0.370 3.591 3.960 0.001 0.000 0.267 251 G HA3 -0.370 3.591 3.960 0.001 0.000 0.267 251 G C 0.461 175.393 174.900 0.054 0.000 0.975 251 G CA 0.057 45.177 45.100 0.033 0.000 0.644 251 G HN 0.772 nan 8.290 nan 0.000 0.537 252 A N 0.018 122.880 122.820 0.070 0.000 2.462 252 A HA 0.531 4.852 4.320 0.001 0.000 0.243 252 A C 1.143 178.798 177.584 0.119 0.000 1.076 252 A CA 0.839 52.941 52.037 0.109 0.000 0.773 252 A CB 0.324 19.403 19.000 0.132 0.000 1.010 252 A HN 0.269 nan 8.150 nan 0.000 0.493 253 D N 0.274 120.785 120.400 0.184 0.000 2.338 253 D HA 0.160 4.801 4.640 0.001 0.000 0.208 253 D C -0.631 175.719 176.300 0.083 0.000 0.997 253 D CA 1.153 55.258 54.000 0.175 0.000 0.880 253 D CB 0.236 41.239 40.800 0.338 0.000 0.980 253 D HN 0.462 nan 8.370 nan 0.000 0.509 254 F N -0.065 119.932 119.950 0.079 0.000 2.588 254 F HA 0.398 4.926 4.527 0.001 0.000 0.310 254 F C -0.867 174.991 175.800 0.096 0.000 1.082 254 F CA -1.295 56.733 58.000 0.046 0.000 0.929 254 F CB 2.076 41.094 39.000 0.030 0.000 1.254 254 F HN -0.325 nan 8.300 nan 0.000 0.455 255 F N 4.620 124.632 119.950 0.104 0.000 2.496 255 F HA 0.671 5.199 4.527 0.001 0.000 0.341 255 F C -1.343 174.514 175.800 0.096 0.000 1.134 255 F CA -0.884 57.172 58.000 0.093 0.000 0.968 255 F CB 0.758 39.810 39.000 0.087 0.000 1.205 255 F HN 0.303 nan 8.300 nan 0.000 0.436 256 I N 6.276 126.514 120.570 -0.553 0.000 2.388 256 I HA 0.358 4.528 4.170 0.001 0.000 0.281 256 I C 0.422 176.150 176.117 -0.648 0.000 1.046 256 I CA -0.611 60.478 61.300 -0.351 0.000 1.187 256 I CB 1.051 38.977 38.000 -0.122 0.000 1.351 256 I HN 0.786 nan 8.210 nan 0.000 0.472 257 G N 4.329 112.731 108.800 -0.663 0.000 2.332 257 G HA2 0.462 4.423 3.960 0.001 0.000 0.310 257 G HA3 0.462 4.423 3.960 0.001 0.000 0.310 257 G C -0.500 174.362 174.900 -0.064 0.000 1.123 257 G CA -0.238 44.628 45.100 -0.389 0.000 0.873 257 G HN 0.362 nan 8.290 nan 0.000 0.460 258 V N 2.421 122.313 119.914 -0.036 0.000 2.886 258 V HA 0.321 4.442 4.120 0.001 0.000 0.368 258 V C 0.533 176.640 176.094 0.021 0.000 1.313 258 V CA 0.467 62.766 62.300 -0.001 0.000 1.491 258 V CB -0.057 31.753 31.823 -0.022 0.000 1.345 258 V HN 0.957 nan 8.190 nan 0.000 0.646 259 S N 2.107 117.838 115.700 0.052 0.000 3.385 259 S HA 0.605 5.076 4.470 0.001 0.000 0.176 259 S C 0.593 175.231 174.600 0.064 0.000 0.851 259 S CA -0.601 57.637 58.200 0.064 0.000 1.039 259 S CB 1.044 64.299 63.200 0.092 0.000 1.241 259 S HN 0.437 nan 8.310 nan 0.000 0.859 260 R N -0.149 120.400 120.500 0.082 0.000 2.950 260 R HA 0.684 5.025 4.340 0.001 0.000 0.253 260 R C -0.300 176.043 176.300 0.071 0.000 1.168 260 R CA -0.556 55.584 56.100 0.065 0.000 1.014 260 R CB 1.367 31.702 30.300 0.059 0.000 1.228 260 R HN 0.617 nan 8.270 nan 0.000 0.487 261 G N 0.088 108.917 108.800 0.049 0.000 2.425 261 G HA2 0.171 4.132 3.960 0.001 0.000 0.302 261 G HA3 0.171 4.132 3.960 0.001 0.000 0.302 261 G C -0.474 174.438 174.900 0.019 0.000 1.159 261 G CA -0.402 44.720 45.100 0.038 0.000 0.865 261 G HN 0.713 nan 8.290 nan 0.000 0.515 262 N N -0.605 118.093 118.700 -0.003 0.000 2.688 262 N HA -0.190 4.551 4.740 0.001 0.000 0.258 262 N C 0.871 176.351 175.510 -0.050 0.000 1.016 262 N CA 1.257 54.281 53.050 -0.043 0.000 0.747 262 N CB -0.908 37.554 38.487 -0.042 0.000 0.895 262 N HN 0.834 nan 8.380 nan 0.000 0.543 263 I N -4.250 116.299 120.570 -0.035 0.000 4.403 263 I HA 0.274 4.444 4.170 0.001 0.000 0.331 263 I C 0.385 176.453 176.117 -0.082 0.000 1.327 263 I CA -0.157 61.140 61.300 -0.005 0.000 1.175 263 I CB 0.500 38.556 38.000 0.093 0.000 1.165 263 I HN 0.051 nan 8.210 nan 0.000 0.413 264 L N 3.651 124.752 121.223 -0.203 0.000 2.262 264 L HA 0.474 4.815 4.340 0.001 0.000 0.288 264 L C -0.310 176.161 176.870 -0.666 0.000 1.035 264 L CA -0.459 54.149 54.840 -0.387 0.000 0.820 264 L CB 0.809 42.628 42.059 -0.401 0.000 1.204 264 L HN 0.122 nan 8.230 nan 0.000 0.424 265 K N 7.179 126.740 120.400 -1.399 0.000 2.339 265 K HA 0.177 4.498 4.320 0.001 0.000 0.286 265 K C -1.469 174.665 176.600 -0.777 0.000 1.050 265 K CA -1.525 54.033 56.287 -1.215 0.000 0.956 265 K CB 1.019 32.486 32.500 -1.721 0.000 0.990 265 K HN 0.451 nan 8.250 nan 0.000 0.475 266 P HA -0.254 nan 4.420 nan 0.000 0.218 266 P C 0.527 177.727 177.300 -0.166 0.000 1.150 266 P CA 1.515 64.472 63.100 -0.239 0.000 0.841 266 P CB 0.388 31.983 31.700 -0.175 0.000 0.784 267 E N -1.479 118.611 120.200 -0.185 0.000 2.285 267 E HA -0.101 4.250 4.350 0.001 0.000 0.194 267 E C 1.848 178.531 176.600 0.138 0.000 0.997 267 E CA 0.640 57.027 56.400 -0.022 0.000 0.845 267 E CB -0.546 29.163 29.700 0.016 0.000 0.782 267 E HN 0.445 nan 8.360 nan 0.000 0.491 268 W N 0.566 121.831 121.300 -0.058 0.000 2.525 268 W HA 0.066 4.726 4.660 0.001 0.000 0.259 268 W C 1.925 178.406 176.519 -0.064 0.000 1.253 268 W CA -0.135 57.174 57.345 -0.060 0.000 1.262 268 W CB -0.919 28.493 29.460 -0.080 0.000 1.122 268 W HN 0.050 nan 8.180 nan 0.000 0.607 269 I N 0.590 121.230 120.570 0.116 0.000 2.394 269 I HA -0.262 3.909 4.170 0.001 0.000 0.251 269 I C 1.956 178.101 176.117 0.046 0.000 1.136 269 I CA 1.320 62.647 61.300 0.046 0.000 1.425 269 I CB -0.434 37.559 38.000 -0.012 0.000 1.079 269 I HN -0.117 nan 8.210 nan 0.000 0.425 270 K N 0.854 121.284 120.400 0.050 0.000 2.504 270 K HA -0.058 4.263 4.320 0.001 0.000 0.195 270 K C 1.449 178.073 176.600 0.040 0.000 1.036 270 K CA 0.603 56.912 56.287 0.036 0.000 0.984 270 K CB 0.067 32.586 32.500 0.032 0.000 0.788 270 K HN 0.320 nan 8.250 nan 0.000 0.488 271 K N 0.046 120.481 120.400 0.058 0.000 2.374 271 K HA 0.167 4.488 4.320 0.001 0.000 0.196 271 K C 0.478 177.098 176.600 0.034 0.000 1.023 271 K CA 0.115 56.426 56.287 0.041 0.000 1.103 271 K CB 0.321 32.845 32.500 0.040 0.000 0.848 271 K HN 0.109 nan 8.250 nan 0.000 0.528 272 M N 1.138 120.762 119.600 0.040 0.000 2.359 272 M HA 0.081 4.562 4.480 0.001 0.000 0.322 272 M C 0.787 177.101 176.300 0.022 0.000 1.166 272 M CA -0.434 54.889 55.300 0.038 0.000 1.067 272 M CB 1.396 34.023 32.600 0.045 0.000 1.523 272 M HN -0.017 nan 8.290 nan 0.000 0.467 273 S N 0.971 116.685 115.700 0.023 0.000 2.614 273 S HA 0.168 4.639 4.470 0.001 0.000 0.251 273 S C 0.097 174.691 174.600 -0.011 0.000 1.388 273 S CA -0.395 57.811 58.200 0.010 0.000 0.973 273 S CB 0.323 63.536 63.200 0.020 0.000 0.926 273 S HN 0.613 nan 8.310 nan 0.000 0.580 274 R N 1.080 121.564 120.500 -0.027 0.000 2.679 274 R HA 0.195 4.536 4.340 0.001 0.000 0.268 274 R C 0.079 176.330 176.300 -0.082 0.000 1.044 274 R CA 0.595 56.662 56.100 -0.055 0.000 1.105 274 R CB -0.232 30.025 30.300 -0.071 0.000 0.989 274 R HN 0.747 nan 8.270 nan 0.000 0.447 275 K N 1.293 121.631 120.400 -0.103 0.000 4.007 275 K HA -0.154 4.167 4.320 0.001 0.000 0.279 275 K C -2.333 174.247 176.600 -0.033 0.000 0.919 275 K CA 0.431 56.652 56.287 -0.109 0.000 0.800 275 K CB -1.025 31.241 32.500 -0.390 0.000 1.572 275 K HN 0.515 nan 8.250 nan 0.000 0.443 276 P HA 0.155 nan 4.420 nan 0.000 0.285 276 P C -0.148 177.084 177.300 -0.113 0.000 1.259 276 P CA -0.402 62.652 63.100 -0.078 0.000 0.794 276 P CB 1.282 32.971 31.700 -0.018 0.000 0.940 277 V N 5.161 124.866 119.914 -0.350 0.000 2.439 277 V HA 0.294 4.415 4.120 0.001 0.000 0.282 277 V C 0.530 176.545 176.094 -0.132 0.000 1.039 277 V CA -0.398 61.685 62.300 -0.362 0.000 0.913 277 V CB 1.140 32.419 31.823 -0.906 0.000 0.983 277 V HN 0.407 nan 8.190 nan 0.000 0.460 278 I N 5.416 126.020 120.570 0.057 0.000 2.439 278 I HA 0.399 4.570 4.170 0.001 0.000 0.283 278 I C -0.913 175.484 176.117 0.467 0.000 1.023 278 I CA -0.405 61.044 61.300 0.247 0.000 1.100 278 I CB 1.340 39.450 38.000 0.185 0.000 1.238 278 I HN 0.364 nan 8.210 nan 0.000 0.445 279 F N 4.847 124.931 119.950 0.223 0.000 2.334 279 F HA 0.499 5.026 4.527 0.001 0.000 0.367 279 F C 0.781 176.673 175.800 0.152 0.000 1.115 279 F CA -1.580 56.502 58.000 0.137 0.000 1.116 279 F CB 1.485 40.543 39.000 0.098 0.000 1.230 279 F HN 0.498 nan 8.300 nan 0.000 0.484 280 A N 5.823 128.826 122.820 0.304 0.000 2.937 280 A HA 0.492 4.813 4.320 0.001 0.000 0.338 280 A C 0.458 178.120 177.584 0.131 0.000 1.273 280 A CA -0.330 51.856 52.037 0.248 0.000 0.937 280 A CB -0.489 18.632 19.000 0.202 0.000 1.133 280 A HN 0.752 nan 8.150 nan 0.000 0.491 281 L N 1.055 122.338 121.223 0.099 0.000 2.682 281 L HA 0.194 4.535 4.340 0.001 0.000 0.240 281 L C 1.194 178.085 176.870 0.035 0.000 1.178 281 L CA -0.015 54.847 54.840 0.037 0.000 0.970 281 L CB -0.549 41.512 42.059 0.003 0.000 1.179 281 L HN 0.649 nan 8.230 nan 0.000 0.435 282 A N 1.475 124.330 122.820 0.059 0.000 2.363 282 A HA 0.426 4.746 4.320 0.001 0.000 0.270 282 A C 0.015 177.622 177.584 0.039 0.000 1.121 282 A CA -0.388 51.678 52.037 0.048 0.000 0.800 282 A CB 0.288 19.328 19.000 0.067 0.000 1.052 282 A HN 0.492 nan 8.150 nan 0.000 0.493 283 N N 1.983 120.699 118.700 0.026 0.000 2.319 283 N HA 0.628 5.369 4.740 0.001 0.000 0.305 283 N C -1.737 173.785 175.510 0.020 0.000 1.103 283 N CA -1.536 51.528 53.050 0.023 0.000 0.815 283 N CB 1.513 40.007 38.487 0.013 0.000 1.288 283 N HN 0.223 nan 8.380 nan 0.000 0.493 284 P HA 0.101 nan 4.420 nan 0.000 0.235 284 P C -0.568 176.752 177.300 0.035 0.000 1.177 284 P CA 0.230 63.344 63.100 0.024 0.000 0.785 284 P CB 0.474 32.185 31.700 0.018 0.000 0.885 285 V N 2.947 122.880 119.914 0.032 0.000 2.370 285 V HA 0.295 4.415 4.120 0.001 0.000 0.279 285 V C -2.348 173.770 176.094 0.039 0.000 1.029 285 V CA -1.978 60.341 62.300 0.033 0.000 0.870 285 V CB 1.261 33.097 31.823 0.023 0.000 0.984 285 V HN -0.023 nan 8.190 nan 0.000 0.451 286 P HA 0.224 nan 4.420 nan 0.000 0.274 286 P C 0.543 177.878 177.300 0.058 0.000 1.231 286 P CA -0.319 62.813 63.100 0.054 0.000 0.790 286 P CB 0.897 32.618 31.700 0.036 0.000 0.951 287 E N 0.881 121.148 120.200 0.111 0.000 2.169 287 E HA -0.139 4.212 4.350 0.001 0.000 0.202 287 E C 0.764 177.376 176.600 0.019 0.000 1.016 287 E CA 1.422 57.896 56.400 0.123 0.000 0.817 287 E CB -0.222 29.661 29.700 0.306 0.000 0.736 287 E HN 0.380 nan 8.360 nan 0.000 0.462 288 I N -0.720 119.849 120.570 -0.001 0.000 2.827 288 I HA 0.133 4.303 4.170 0.001 0.000 0.298 288 I C -1.362 174.719 176.117 -0.060 0.000 1.235 288 I CA -1.126 60.132 61.300 -0.070 0.000 1.021 288 I CB 2.056 39.983 38.000 -0.122 0.000 1.259 288 I HN -0.215 nan 8.210 nan 0.000 0.427 289 D N 6.964 127.315 120.400 -0.082 0.000 2.455 289 D HA 0.156 4.797 4.640 0.001 0.000 0.241 289 D C -1.886 174.338 176.300 -0.126 0.000 1.138 289 D CA -0.958 52.981 54.000 -0.100 0.000 0.877 289 D CB 1.487 42.234 40.800 -0.088 0.000 1.187 289 D HN 0.227 nan 8.370 nan 0.000 0.451 290 P HA -0.165 nan 4.420 nan 0.000 0.214 290 P C 0.932 178.149 177.300 -0.140 0.000 1.163 290 P CA 1.044 64.020 63.100 -0.207 0.000 0.883 290 P CB 0.174 31.612 31.700 -0.437 0.000 0.788 291 E N -0.415 119.699 120.200 -0.142 0.000 2.077 291 E HA -0.174 4.177 4.350 0.001 0.000 0.193 291 E C 1.773 178.338 176.600 -0.059 0.000 0.989 291 E CA 0.895 57.250 56.400 -0.075 0.000 0.800 291 E CB -1.272 28.398 29.700 -0.050 0.000 0.746 291 E HN -0.008 nan 8.360 nan 0.000 0.452 292 L N 0.003 121.184 121.223 -0.070 0.000 2.191 292 L HA 0.005 4.346 4.340 0.001 0.000 0.212 292 L C 2.030 178.861 176.870 -0.065 0.000 1.103 292 L CA 2.065 56.865 54.840 -0.066 0.000 0.769 292 L CB -0.845 41.166 42.059 -0.080 0.000 0.908 292 L HN 0.170 nan 8.230 nan 0.000 0.438 293 A N -0.644 122.138 122.820 -0.065 0.000 1.897 293 A HA -0.145 4.175 4.320 0.001 0.000 0.215 293 A C 2.410 179.977 177.584 -0.028 0.000 1.181 293 A CA 1.312 53.318 52.037 -0.050 0.000 0.620 293 A CB -0.417 18.559 19.000 -0.040 0.000 0.821 293 A HN 0.421 nan 8.150 nan 0.000 0.443 294 R N -0.061 120.424 120.500 -0.025 0.000 2.083 294 R HA -0.106 4.234 4.340 0.001 0.000 0.237 294 R C 2.093 178.390 176.300 -0.005 0.000 1.137 294 R CA 1.618 57.713 56.100 -0.008 0.000 0.951 294 R CB -0.193 30.100 30.300 -0.011 0.000 0.851 294 R HN 0.494 nan 8.270 nan 0.000 0.434 295 E N 0.061 120.251 120.200 -0.016 0.000 2.110 295 E HA -0.142 4.209 4.350 0.001 0.000 0.193 295 E C 1.791 178.381 176.600 -0.016 0.000 0.988 295 E CA 1.358 57.749 56.400 -0.015 0.000 0.804 295 E CB -0.182 29.505 29.700 -0.022 0.000 0.745 295 E HN 0.378 nan 8.360 nan 0.000 0.458 296 A N 0.058 122.864 122.820 -0.024 0.000 2.206 296 A HA 0.215 4.536 4.320 0.001 0.000 0.211 296 A C 1.542 179.121 177.584 -0.009 0.000 1.158 296 A CA 1.206 53.228 52.037 -0.025 0.000 0.761 296 A CB -0.036 18.937 19.000 -0.046 0.000 0.801 296 A HN 0.296 nan 8.150 nan 0.000 0.473 297 G N -2.373 106.428 108.800 0.002 0.000 2.157 297 G HA2 0.269 4.230 3.960 0.001 0.000 0.118 297 G HA3 0.269 4.230 3.960 0.001 0.000 0.118 297 G C 0.075 174.995 174.900 0.034 0.000 1.032 297 G CA -0.058 45.052 45.100 0.016 0.000 0.697 297 G HN 1.356 nan 8.290 nan 0.000 0.495 298 A N -0.100 122.741 122.820 0.035 0.000 2.320 298 A HA 0.696 5.017 4.320 0.001 0.000 0.287 298 A C 0.811 178.460 177.584 0.108 0.000 1.181 298 A CA 0.127 52.195 52.037 0.052 0.000 0.831 298 A CB 0.467 19.481 19.000 0.024 0.000 1.102 298 A HN 1.102 nan 8.150 nan 0.000 0.513 299 F N 3.133 123.054 119.950 -0.048 0.000 2.163 299 F HA 0.221 4.749 4.527 0.001 0.000 0.297 299 F C 0.384 176.170 175.800 -0.025 0.000 1.094 299 F CA 0.807 58.780 58.000 -0.045 0.000 1.290 299 F CB 0.022 38.978 39.000 -0.073 0.000 1.017 299 F HN 0.418 nan 8.300 nan 0.000 0.483 300 I N 0.493 120.946 120.570 -0.195 0.000 2.686 300 I HA 0.381 4.552 4.170 0.001 0.000 0.295 300 I C -1.396 174.710 176.117 -0.018 0.000 1.114 300 I CA -1.004 60.156 61.300 -0.234 0.000 1.038 300 I CB 2.454 40.285 38.000 -0.281 0.000 1.238 300 I HN -0.450 nan 8.210 nan 0.000 0.420 301 V N 3.821 123.746 119.914 0.017 0.000 2.760 301 V HA 0.878 4.998 4.120 0.001 0.000 0.309 301 V C -0.520 175.624 176.094 0.084 0.000 1.077 301 V CA -0.510 61.841 62.300 0.085 0.000 0.910 301 V CB 1.850 33.687 31.823 0.025 0.000 1.008 301 V HN 0.853 nan 8.190 nan 0.000 0.424 302 A N 2.583 125.478 122.820 0.125 0.000 2.515 302 A HA 0.998 5.319 4.320 0.001 0.000 0.298 302 A C -0.314 177.268 177.584 -0.003 0.000 1.059 302 A CA -0.042 51.984 52.037 -0.018 0.000 0.698 302 A CB 2.253 21.088 19.000 -0.276 0.000 1.289 302 A HN 1.107 nan 8.150 nan 0.000 0.404 303 T N -2.007 112.535 114.554 -0.020 0.000 2.742 303 T HA 0.671 5.022 4.350 0.001 0.000 0.282 303 T C 0.912 175.603 174.700 -0.014 0.000 1.025 303 T CA 0.174 62.282 62.100 0.013 0.000 1.020 303 T CB 1.250 70.154 68.868 0.061 0.000 1.317 303 T HN 1.330 nan 8.240 nan 0.000 0.538 304 G N -0.519 108.287 108.800 0.009 0.000 2.744 304 G HA2 0.178 4.138 3.960 0.001 0.000 0.211 304 G HA3 0.178 4.138 3.960 0.001 0.000 0.211 304 G C 0.620 175.523 174.900 0.005 0.000 1.146 304 G CA -0.408 44.686 45.100 -0.011 0.000 0.787 304 G HN 0.707 nan 8.290 nan 0.000 0.534 305 R N 0.817 121.345 120.500 0.046 0.000 2.641 305 R HA 0.262 4.602 4.340 0.001 0.000 0.269 305 R C 1.522 177.830 176.300 0.014 0.000 1.074 305 R CA 0.486 56.614 56.100 0.048 0.000 1.133 305 R CB 0.826 31.198 30.300 0.119 0.000 1.029 305 R HN 0.248 nan 8.270 nan 0.000 0.488 306 S N 0.077 115.762 115.700 -0.025 0.000 2.478 306 S HA -0.067 4.404 4.470 0.001 0.000 0.222 306 S C 0.711 175.251 174.600 -0.099 0.000 1.008 306 S CA 0.325 58.504 58.200 -0.036 0.000 0.928 306 S CB 0.063 63.259 63.200 -0.007 0.000 0.781 306 S HN 0.655 nan 8.310 nan 0.000 0.518 307 D N 1.353 121.612 120.400 -0.235 0.000 2.338 307 D HA 0.029 4.670 4.640 0.001 0.000 0.239 307 D C 0.049 175.930 176.300 -0.698 0.000 1.095 307 D CA 0.421 54.160 54.000 -0.436 0.000 0.888 307 D CB -0.202 40.283 40.800 -0.526 0.000 0.899 307 D HN 0.506 nan 8.370 nan 0.000 0.525 308 H N -0.323 118.747 119.070 -0.001 0.000 2.980 308 H HA 0.381 4.938 4.556 0.001 0.000 0.367 308 H C -2.320 173.001 175.328 -0.012 0.000 1.206 308 H CA -1.660 54.385 56.048 -0.005 0.000 1.126 308 H CB 1.162 30.921 29.762 -0.006 0.000 1.838 308 H HN -0.181 nan 8.280 nan 0.000 0.552 309 P HA 0.012 nan 4.420 nan 0.000 0.271 309 P C -0.427 176.887 177.300 0.023 0.000 1.233 309 P CA -0.214 62.914 63.100 0.046 0.000 0.789 309 P CB 0.385 32.102 31.700 0.029 0.000 0.951 310 N N -0.212 118.480 118.700 -0.013 0.000 2.586 310 N HA -0.208 4.532 4.740 0.001 0.000 0.282 310 N C -0.401 175.066 175.510 -0.071 0.000 1.171 310 N CA 0.728 53.747 53.050 -0.052 0.000 0.733 310 N CB -1.019 37.430 38.487 -0.063 0.000 0.910 310 N HN 0.603 nan 8.380 nan 0.000 0.548 311 Q N 0.455 120.215 119.800 -0.066 0.000 2.274 311 Q HA 0.432 4.773 4.340 0.001 0.000 0.256 311 Q C -0.725 175.202 176.000 -0.122 0.000 0.927 311 Q CA -0.586 55.172 55.803 -0.075 0.000 0.939 311 Q CB 1.016 29.723 28.738 -0.052 0.000 1.201 311 Q HN 0.223 nan 8.270 nan 0.000 0.426 312 V N 6.342 126.168 119.914 -0.147 0.000 2.288 312 V HA 0.306 4.427 4.120 0.001 0.000 0.266 312 V C -0.473 175.546 176.094 -0.124 0.000 1.048 312 V CA -0.747 61.450 62.300 -0.172 0.000 0.842 312 V CB 0.250 31.922 31.823 -0.251 0.000 1.064 312 V HN 0.804 nan 8.190 nan 0.000 0.472 313 N N 3.686 122.315 118.700 -0.120 0.000 2.225 313 N HA 0.270 5.011 4.740 0.001 0.000 0.298 313 N C 0.408 175.866 175.510 -0.087 0.000 1.076 313 N CA -0.880 52.114 53.050 -0.093 0.000 0.792 313 N CB 1.161 39.589 38.487 -0.098 0.000 1.498 313 N HN 0.225 nan 8.380 nan 0.000 0.474 314 N N 0.855 119.546 118.700 -0.014 0.000 2.247 314 N HA -0.187 4.554 4.740 0.001 0.000 0.189 314 N C 1.501 176.989 175.510 -0.037 0.000 1.009 314 N CA 0.658 53.754 53.050 0.076 0.000 0.872 314 N CB -0.261 38.372 38.487 0.243 0.000 0.980 314 N HN 0.520 nan 8.380 nan 0.000 0.436 315 L N 1.184 122.296 121.223 -0.185 0.000 2.197 315 L HA -0.081 4.260 4.340 0.001 0.000 0.215 315 L C 1.939 178.474 176.870 -0.559 0.000 1.095 315 L CA 1.185 55.666 54.840 -0.599 0.000 0.764 315 L CB -0.493 41.246 42.059 -0.533 0.000 0.897 315 L HN 0.150 nan 8.230 nan 0.000 0.436 316 L N -1.577 119.433 121.223 -0.355 0.000 2.395 316 L HA -0.032 4.309 4.340 0.001 0.000 0.218 316 L C 2.118 178.828 176.870 -0.267 0.000 1.130 316 L CA 0.738 55.373 54.840 -0.341 0.000 0.826 316 L CB -0.361 41.541 42.059 -0.263 0.000 0.941 316 L HN 0.407 nan 8.230 nan 0.000 0.451 317 A N -0.732 121.972 122.820 -0.193 0.000 1.997 317 A HA 0.029 4.350 4.320 0.001 0.000 0.198 317 A C 1.764 179.320 177.584 -0.048 0.000 1.449 317 A CA 0.021 52.017 52.037 -0.070 0.000 0.908 317 A CB -0.344 18.684 19.000 0.046 0.000 0.984 317 A HN 0.331 nan 8.150 nan 0.000 0.487 318 F N 0.802 120.723 119.950 -0.049 0.000 2.234 318 F HA 0.138 4.666 4.527 0.002 0.000 0.299 318 F C -0.875 174.846 175.800 -0.130 0.000 1.087 318 F CA 0.787 58.694 58.000 -0.156 0.000 1.340 318 F CB -1.984 37.024 39.000 0.013 0.000 1.031 318 F HN 0.082 nan 8.300 nan 0.000 0.500 319 P HA -0.053 nan 4.420 nan 0.000 0.215 319 P C 2.059 179.397 177.300 0.063 0.000 1.157 319 P CA 2.459 65.472 63.100 -0.145 0.000 0.868 319 P CB -0.409 31.054 31.700 -0.395 0.000 0.788 320 G N -0.400 108.440 108.800 0.067 0.000 2.404 320 G HA2 -0.193 3.767 3.960 0.001 0.000 0.214 320 G HA3 -0.193 3.767 3.960 0.001 0.000 0.214 320 G C 1.544 176.522 174.900 0.131 0.000 1.189 320 G CA 0.518 45.701 45.100 0.140 0.000 0.789 320 G HN 0.187 nan 8.290 nan 0.000 0.533 321 I N 0.129 120.715 120.570 0.026 0.000 2.087 321 I HA -0.280 3.890 4.170 0.001 0.000 0.240 321 I C 2.789 178.886 176.117 -0.033 0.000 1.054 321 I CA 1.759 63.034 61.300 -0.043 0.000 1.311 321 I CB -0.276 37.582 38.000 -0.238 0.000 1.024 321 I HN 0.171 nan 8.210 nan 0.000 0.402 322 M N 0.818 120.380 119.600 -0.063 0.000 2.106 322 M HA -0.251 4.229 4.480 0.001 0.000 0.259 322 M C 2.201 178.563 176.300 0.102 0.000 1.068 322 M CA 1.887 57.206 55.300 0.031 0.000 1.100 322 M CB -0.464 32.274 32.600 0.230 0.000 1.351 322 M HN 0.023 nan 8.290 nan 0.000 0.404 323 K N -1.232 119.257 120.400 0.149 0.000 2.057 323 K HA -0.076 4.245 4.320 0.001 0.000 0.206 323 K C 1.906 178.673 176.600 0.279 0.000 1.050 323 K CA 1.523 57.899 56.287 0.150 0.000 0.935 323 K CB -0.656 31.859 32.500 0.025 0.000 0.715 323 K HN 0.465 nan 8.250 nan 0.000 0.439 324 G N 0.090 109.107 108.800 0.362 0.000 2.422 324 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 324 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 324 G C 1.485 176.465 174.900 0.133 0.000 1.140 324 G CA 0.813 46.081 45.100 0.281 0.000 0.775 324 G HN 0.427 nan 8.290 nan 0.000 0.545 325 A N 0.005 122.887 122.820 0.104 0.000 1.970 325 A HA 0.250 4.570 4.320 0.001 0.000 0.216 325 A C 2.451 180.078 177.584 0.072 0.000 1.170 325 A CA 1.301 53.382 52.037 0.073 0.000 0.645 325 A CB -0.269 18.771 19.000 0.067 0.000 0.816 325 A HN 0.207 nan 8.150 nan 0.000 0.447 326 V N -0.038 119.929 119.914 0.089 0.000 2.809 326 V HA -0.180 3.941 4.120 0.001 0.000 0.256 326 V C 2.333 178.469 176.094 0.069 0.000 1.080 326 V CA 2.127 64.480 62.300 0.088 0.000 1.102 326 V CB -0.388 31.485 31.823 0.084 0.000 0.705 326 V HN 0.771 nan 8.190 nan 0.000 0.475 327 E N 0.588 120.848 120.200 0.100 0.000 2.075 327 E HA -0.138 4.213 4.350 0.001 0.000 0.190 327 E C 2.125 178.713 176.600 -0.020 0.000 0.969 327 E CA 0.467 56.920 56.400 0.089 0.000 0.815 327 E CB -0.049 29.775 29.700 0.207 0.000 0.776 327 E HN 0.442 nan 8.360 nan 0.000 0.457 328 K N 1.005 121.406 120.400 0.002 0.000 2.643 328 K HA -0.062 4.258 4.320 0.001 0.000 0.193 328 K C -0.191 176.378 176.600 -0.052 0.000 1.027 328 K CA 0.163 56.432 56.287 -0.029 0.000 1.033 328 K CB -0.169 32.324 32.500 -0.011 0.000 0.827 328 K HN 0.092 nan 8.250 nan 0.000 0.500 329 R N 0.614 121.057 120.500 -0.095 0.000 3.460 329 R HA -0.195 4.146 4.340 0.001 0.000 0.254 329 R C -0.242 176.061 176.300 0.004 0.000 1.028 329 R CA 0.808 56.846 56.100 -0.102 0.000 0.688 329 R CB -2.163 27.994 30.300 -0.238 0.000 1.062 329 R HN 0.386 nan 8.270 nan 0.000 0.463 330 S N -1.169 114.547 115.700 0.027 0.000 2.638 330 S HA 0.554 5.025 4.470 0.001 0.000 0.302 330 S C 0.069 174.710 174.600 0.068 0.000 1.096 330 S CA -1.238 56.989 58.200 0.046 0.000 0.953 330 S CB 2.429 65.649 63.200 0.033 0.000 1.107 330 S HN 0.168 nan 8.310 nan 0.000 0.503 331 K N 0.470 120.913 120.400 0.071 0.000 2.187 331 K HA 0.307 4.628 4.320 0.001 0.000 0.247 331 K C -0.430 176.226 176.600 0.092 0.000 1.019 331 K CA -0.139 56.200 56.287 0.085 0.000 0.893 331 K CB 0.185 32.731 32.500 0.078 0.000 1.025 331 K HN 0.558 nan 8.250 nan 0.000 0.500 332 I N 2.421 123.062 120.570 0.119 0.000 2.301 332 I HA 0.027 4.198 4.170 0.001 0.000 0.292 332 I C 0.672 176.864 176.117 0.124 0.000 1.046 332 I CA -0.278 61.106 61.300 0.139 0.000 1.282 332 I CB 0.862 38.992 38.000 0.216 0.000 1.409 332 I HN 0.685 nan 8.210 nan 0.000 0.484 333 T N 1.813 116.424 114.554 0.096 0.000 2.944 333 T HA 0.270 4.621 4.350 0.001 0.000 0.284 333 T C 0.926 175.665 174.700 0.064 0.000 1.010 333 T CA -0.831 61.310 62.100 0.070 0.000 1.025 333 T CB 2.093 70.989 68.868 0.046 0.000 1.079 333 T HN 0.588 nan 8.240 nan 0.000 0.516 334 K N 0.661 121.075 120.400 0.023 0.000 2.209 334 K HA -0.126 4.194 4.320 0.001 0.000 0.204 334 K C 1.939 178.533 176.600 -0.010 0.000 1.048 334 K CA 1.434 57.706 56.287 -0.026 0.000 0.940 334 K CB -0.264 32.183 32.500 -0.088 0.000 0.729 334 K HN 0.672 nan 8.250 nan 0.000 0.451 335 N N -0.197 118.508 118.700 0.008 0.000 2.171 335 N HA -0.093 4.648 4.740 0.001 0.000 0.184 335 N C 1.771 177.303 175.510 0.037 0.000 1.021 335 N CA 1.162 54.220 53.050 0.013 0.000 0.854 335 N CB -0.005 38.487 38.487 0.010 0.000 0.994 335 N HN 0.190 nan 8.380 nan 0.000 0.426 336 M N 0.559 120.190 119.600 0.052 0.000 2.175 336 M HA -0.101 4.379 4.480 0.001 0.000 0.264 336 M C 1.928 178.288 176.300 0.100 0.000 1.063 336 M CA 1.171 56.510 55.300 0.065 0.000 1.119 336 M CB -0.213 32.429 32.600 0.069 0.000 1.377 336 M HN 0.147 nan 8.290 nan 0.000 0.415 337 L N -0.008 121.299 121.223 0.140 0.000 2.056 337 L HA -0.173 4.168 4.340 0.001 0.000 0.207 337 L C 2.352 179.353 176.870 0.219 0.000 1.078 337 L CA 1.059 56.035 54.840 0.227 0.000 0.749 337 L CB -0.594 41.665 42.059 0.334 0.000 0.901 337 L HN 0.345 nan 8.230 nan 0.000 0.433 338 L N -1.014 120.292 121.223 0.139 0.000 2.141 338 L HA -0.154 4.187 4.340 0.001 0.000 0.209 338 L C 2.668 179.596 176.870 0.097 0.000 1.094 338 L CA 0.864 55.776 54.840 0.119 0.000 0.763 338 L CB -0.397 41.688 42.059 0.044 0.000 0.908 338 L HN 0.205 nan 8.230 nan 0.000 0.437 339 S N 0.110 115.853 115.700 0.073 0.000 2.383 339 S HA -0.122 4.349 4.470 0.001 0.000 0.227 339 S C 2.192 176.826 174.600 0.057 0.000 1.026 339 S CA 1.100 59.331 58.200 0.052 0.000 0.981 339 S CB -0.207 63.013 63.200 0.034 0.000 0.818 339 S HN 0.492 nan 8.310 nan 0.000 0.472 340 A N 1.137 124.003 122.820 0.077 0.000 1.969 340 A HA -0.005 4.316 4.320 0.001 0.000 0.218 340 A C 2.286 179.910 177.584 0.068 0.000 1.169 340 A CA 1.182 53.260 52.037 0.068 0.000 0.635 340 A CB -0.733 18.319 19.000 0.087 0.000 0.810 340 A HN 0.341 nan 8.150 nan 0.000 0.445 341 V N 0.237 120.213 119.914 0.103 0.000 2.270 341 V HA -0.210 3.911 4.120 0.001 0.000 0.245 341 V C 2.590 178.727 176.094 0.073 0.000 1.043 341 V CA 2.100 64.462 62.300 0.103 0.000 1.014 341 V CB -0.709 31.212 31.823 0.164 0.000 0.645 341 V HN 0.512 nan 8.190 nan 0.000 0.447 342 E N 0.451 120.692 120.200 0.068 0.000 2.058 342 E HA -0.217 4.133 4.350 0.001 0.000 0.194 342 E C 2.389 179.007 176.600 0.030 0.000 0.997 342 E CA 1.578 58.007 56.400 0.048 0.000 0.801 342 E CB -0.764 28.961 29.700 0.042 0.000 0.746 342 E HN 0.537 nan 8.360 nan 0.000 0.450 343 A N 1.769 124.604 122.820 0.025 0.000 1.869 343 A HA -0.245 4.076 4.320 0.001 0.000 0.218 343 A C 2.405 179.986 177.584 -0.004 0.000 1.203 343 A CA 1.958 54.001 52.037 0.010 0.000 0.638 343 A CB -1.000 18.007 19.000 0.011 0.000 0.831 343 A HN 0.214 nan 8.150 nan 0.000 0.450 344 I N -0.472 120.091 120.570 -0.011 0.000 2.127 344 I HA -0.333 3.838 4.170 0.001 0.000 0.241 344 I C 3.053 179.157 176.117 -0.021 0.000 1.075 344 I CA 1.279 62.557 61.300 -0.036 0.000 1.334 344 I CB -0.631 37.343 38.000 -0.043 0.000 1.040 344 I HN 0.409 nan 8.210 nan 0.000 0.405 345 A N 1.794 124.617 122.820 0.005 0.000 1.903 345 A HA -0.267 4.054 4.320 0.001 0.000 0.219 345 A C 2.248 179.837 177.584 0.007 0.000 1.191 345 A CA 2.415 54.461 52.037 0.014 0.000 0.638 345 A CB -0.844 18.178 19.000 0.035 0.000 0.823 345 A HN 0.621 nan 8.150 nan 0.000 0.451 346 R N -0.674 119.830 120.500 0.007 0.000 2.319 346 R HA 0.222 4.562 4.340 0.001 0.000 0.204 346 R C 0.518 176.817 176.300 -0.001 0.000 0.954 346 R CA 0.991 57.094 56.100 0.006 0.000 1.066 346 R CB -0.388 29.917 30.300 0.009 0.000 0.991 346 R HN 0.179 nan 8.270 nan 0.000 0.486 347 S N 0.911 116.604 115.700 -0.011 0.000 2.768 347 S HA 0.163 4.634 4.470 0.001 0.000 0.246 347 S C -0.218 174.372 174.600 -0.016 0.000 1.006 347 S CA 0.076 58.266 58.200 -0.018 0.000 1.075 347 S CB -0.779 62.397 63.200 -0.039 0.000 0.786 347 S HN 0.645 nan 8.310 nan 0.000 0.468 348 C N -0.719 118.576 119.300 -0.008 0.000 2.951 348 C HA 0.564 5.025 4.460 0.001 0.000 0.331 348 C C -1.602 173.388 174.990 0.001 0.000 1.256 348 C CA -1.231 57.784 59.018 -0.005 0.000 1.176 348 C CB 0.799 28.533 27.740 -0.011 0.000 1.349 348 C HN 0.243 nan 8.230 nan 0.000 0.473 349 E N 2.808 123.010 120.200 0.003 0.000 2.109 349 E HA 0.658 5.009 4.350 0.001 0.000 0.278 349 E C -2.201 174.402 176.600 0.006 0.000 0.954 349 E CA -1.706 54.699 56.400 0.007 0.000 0.779 349 E CB 1.092 30.797 29.700 0.009 0.000 1.093 349 E HN 0.653 nan 8.360 nan 0.000 0.401 350 P HA 0.030 nan 4.420 nan 0.000 0.265 350 P C -1.034 176.268 177.300 0.003 0.000 1.193 350 P CA 0.206 63.309 63.100 0.005 0.000 0.765 350 P CB 0.486 32.194 31.700 0.013 0.000 0.823 351 E N 2.184 122.377 120.200 -0.013 0.000 2.363 351 E HA 0.298 4.648 4.350 0.001 0.000 0.281 351 E C -2.799 173.761 176.600 -0.066 0.000 0.953 351 E CA -2.279 54.108 56.400 -0.022 0.000 0.778 351 E CB 0.865 30.560 29.700 -0.008 0.000 1.220 351 E HN -0.040 nan 8.360 nan 0.000 0.431 352 P HA -0.273 nan 4.420 nan 0.000 0.222 352 P C 0.538 177.754 177.300 -0.139 0.000 1.155 352 P CA 1.561 64.524 63.100 -0.228 0.000 0.890 352 P CB 0.192 31.750 31.700 -0.237 0.000 0.790 353 E N -2.055 118.101 120.200 -0.075 0.000 2.463 353 E HA 0.100 4.451 4.350 0.001 0.000 0.193 353 E C 0.675 177.256 176.600 -0.030 0.000 1.041 353 E CA 0.106 56.480 56.400 -0.044 0.000 0.879 353 E CB 0.233 29.919 29.700 -0.023 0.000 0.997 353 E HN 0.245 nan 8.360 nan 0.000 0.478 354 R N 1.408 121.887 120.500 -0.035 0.000 3.101 354 R HA 0.155 4.496 4.340 0.001 0.000 0.242 354 R C 0.591 176.875 176.300 -0.026 0.000 1.831 354 R CA 0.077 56.162 56.100 -0.025 0.000 1.321 354 R CB -0.230 30.061 30.300 -0.014 0.000 1.512 354 R HN 0.084 nan 8.270 nan 0.000 0.568 355 I N 0.993 121.547 120.570 -0.028 0.000 3.427 355 I HA 0.277 4.448 4.170 0.001 0.000 0.288 355 I C 0.512 176.622 176.117 -0.012 0.000 1.249 355 I CA 0.237 61.531 61.300 -0.011 0.000 1.421 355 I CB 0.123 38.134 38.000 0.018 0.000 1.086 355 I HN 0.279 nan 8.210 nan 0.000 0.448 356 I N -1.841 118.709 120.570 -0.032 0.000 3.006 356 I HA 0.651 4.821 4.170 0.001 0.000 0.306 356 I C -2.910 173.176 176.117 -0.050 0.000 1.250 356 I CA -2.223 59.051 61.300 -0.044 0.000 0.996 356 I CB 1.836 39.797 38.000 -0.065 0.000 1.261 356 I HN -0.284 nan 8.210 nan 0.000 0.442 357 P HA 0.303 nan 4.420 nan 0.000 0.286 357 P C -0.977 176.281 177.300 -0.070 0.000 1.293 357 P CA -0.047 63.021 63.100 -0.054 0.000 0.770 357 P CB 0.588 32.252 31.700 -0.061 0.000 1.206 358 E N -1.189 118.986 120.200 -0.041 0.000 2.250 358 E HA 0.445 4.795 4.350 0.001 0.000 0.265 358 E C 1.138 177.662 176.600 -0.127 0.000 1.033 358 E CA -0.609 55.763 56.400 -0.048 0.000 0.888 358 E CB 0.249 29.991 29.700 0.070 0.000 1.151 358 E HN 0.368 nan 8.360 nan 0.000 0.412 359 A N 0.780 123.438 122.820 -0.271 0.000 2.070 359 A HA -0.133 4.188 4.320 0.001 0.000 0.220 359 A C 1.217 178.623 177.584 -0.297 0.000 1.159 359 A CA 1.232 53.010 52.037 -0.431 0.000 0.656 359 A CB -0.585 17.999 19.000 -0.692 0.000 0.800 359 A HN 0.571 nan 8.150 nan 0.000 0.453 360 F N 0.128 120.126 119.950 0.080 0.000 2.710 360 F HA 0.078 4.606 4.527 0.001 0.000 0.298 360 F C 0.849 176.749 175.800 0.166 0.000 1.137 360 F CA -0.279 57.843 58.000 0.203 0.000 1.444 360 F CB -0.023 39.067 39.000 0.150 0.000 1.111 360 F HN 0.102 nan 8.300 nan 0.000 0.580 361 D N 1.354 121.880 120.400 0.210 0.000 2.398 361 D HA -0.029 4.612 4.640 0.001 0.000 0.250 361 D C 1.410 177.798 176.300 0.146 0.000 1.287 361 D CA 0.137 54.215 54.000 0.130 0.000 0.992 361 D CB 0.419 41.239 40.800 0.034 0.000 1.071 361 D HN -0.007 nan 8.370 nan 0.000 0.514 362 M N 2.641 122.375 119.600 0.222 0.000 2.435 362 M HA -0.148 4.333 4.480 0.001 0.000 0.262 362 M C 1.708 178.107 176.300 0.163 0.000 1.065 362 M CA 0.846 56.304 55.300 0.264 0.000 1.076 362 M CB -0.463 32.253 32.600 0.193 0.000 1.403 362 M HN 0.283 nan 8.290 nan 0.000 0.454 363 K N 0.066 120.519 120.400 0.089 0.000 2.097 363 K HA -0.054 4.266 4.320 0.001 0.000 0.205 363 K C 2.076 178.685 176.600 0.015 0.000 1.050 363 K CA 0.985 57.304 56.287 0.052 0.000 0.938 363 K CB -0.476 32.044 32.500 0.033 0.000 0.718 363 K HN 0.261 nan 8.250 nan 0.000 0.442 364 V N 1.417 121.293 119.914 -0.063 0.000 2.255 364 V HA -0.265 3.856 4.120 0.001 0.000 0.247 364 V C 2.245 178.239 176.094 -0.166 0.000 1.051 364 V CA 1.777 63.974 62.300 -0.171 0.000 1.018 364 V CB -0.819 30.798 31.823 -0.342 0.000 0.641 364 V HN 0.350 nan 8.190 nan 0.000 0.445 365 H N -0.403 118.666 119.070 -0.002 0.000 2.457 365 H HA -0.074 4.483 4.556 0.001 0.000 0.297 365 H C 2.253 177.629 175.328 0.079 0.000 1.092 365 H CA 1.510 57.562 56.048 0.008 0.000 1.309 365 H CB -0.121 29.646 29.762 0.008 0.000 1.382 365 H HN 0.356 nan 8.280 nan 0.000 0.535 366 L N 0.277 121.611 121.223 0.185 0.000 2.162 366 L HA -0.094 4.247 4.340 0.001 0.000 0.205 366 L C 2.089 179.054 176.870 0.158 0.000 1.086 366 L CA 0.441 55.406 54.840 0.209 0.000 0.778 366 L CB -0.188 41.966 42.059 0.158 0.000 0.928 366 L HN 0.160 nan 8.230 nan 0.000 0.446 367 N N -0.010 118.739 118.700 0.080 0.000 2.166 367 N HA -0.135 4.606 4.740 0.001 0.000 0.186 367 N C 1.854 177.388 175.510 0.041 0.000 1.019 367 N CA 1.088 54.162 53.050 0.041 0.000 0.856 367 N CB -0.296 38.196 38.487 0.009 0.000 0.993 367 N HN 0.098 nan 8.380 nan 0.000 0.426 368 V N 0.688 120.633 119.914 0.052 0.000 2.323 368 V HA -0.210 3.911 4.120 0.001 0.000 0.244 368 V C 2.091 178.252 176.094 0.111 0.000 1.041 368 V CA 1.271 63.605 62.300 0.056 0.000 1.025 368 V CB -0.777 31.065 31.823 0.031 0.000 0.656 368 V HN 0.235 nan 8.190 nan 0.000 0.451 369 Y N 1.535 121.853 120.300 0.031 0.000 2.165 369 Y HA -0.284 4.267 4.550 0.001 0.000 0.286 369 Y C 2.600 178.519 175.900 0.031 0.000 1.155 369 Y CA 2.241 60.365 58.100 0.040 0.000 1.164 369 Y CB -0.885 37.610 38.460 0.059 0.000 0.978 369 Y HN 0.202 nan 8.280 nan 0.000 0.513 370 T N 0.771 115.251 114.554 -0.123 0.000 2.708 370 T HA -0.147 4.204 4.350 0.001 0.000 0.266 370 T C 2.096 176.711 174.700 -0.143 0.000 1.037 370 T CA 1.606 63.579 62.100 -0.212 0.000 1.146 370 T CB -0.761 68.064 68.868 -0.071 0.000 0.865 370 T HN 0.507 nan 8.240 nan 0.000 0.435 371 A N 0.963 123.747 122.820 -0.059 0.000 1.835 371 A HA -0.064 4.257 4.320 0.001 0.000 0.215 371 A C 2.541 180.105 177.584 -0.034 0.000 1.199 371 A CA 1.650 53.668 52.037 -0.032 0.000 0.615 371 A CB -1.196 17.805 19.000 0.001 0.000 0.838 371 A HN 0.323 nan 8.150 nan 0.000 0.444 372 V N 0.365 120.271 119.914 -0.013 0.000 2.380 372 V HA -0.330 3.791 4.120 0.001 0.000 0.251 372 V C 2.521 178.597 176.094 -0.030 0.000 1.063 372 V CA 2.589 64.891 62.300 0.004 0.000 1.055 372 V CB -0.776 31.070 31.823 0.040 0.000 0.657 372 V HN 0.636 nan 8.190 nan 0.000 0.455 373 K N 0.203 120.539 120.400 -0.108 0.000 1.973 373 K HA -0.130 4.190 4.320 0.001 0.000 0.212 373 K C 2.180 178.723 176.600 -0.095 0.000 1.047 373 K CA 1.638 57.837 56.287 -0.145 0.000 0.937 373 K CB -0.759 31.534 32.500 -0.344 0.000 0.721 373 K HN 0.486 nan 8.250 nan 0.000 0.440 374 G N 0.543 109.283 108.800 -0.100 0.000 2.498 374 G HA2 -0.126 3.835 3.960 0.001 0.000 0.219 374 G HA3 -0.126 3.835 3.960 0.001 0.000 0.219 374 G C 0.390 175.269 174.900 -0.035 0.000 1.119 374 G CA 0.380 45.442 45.100 -0.063 0.000 0.766 374 G HN 0.252 nan 8.290 nan 0.000 0.552 375 S N -0.079 115.606 115.700 -0.025 0.000 2.624 375 S HA 0.587 5.058 4.470 0.001 0.000 0.263 375 S C 0.930 175.530 174.600 -0.001 0.000 1.287 375 S CA -0.293 57.904 58.200 -0.006 0.000 0.990 375 S CB 1.253 64.458 63.200 0.008 0.000 0.950 375 S HN 0.584 nan 8.310 nan 0.000 0.561 376 A N 0.000 122.824 122.820 0.006 0.000 2.254 376 A HA 0.000 4.321 4.320 0.001 0.000 0.244 376 A CA 0.000 52.042 52.037 0.009 0.000 0.836 376 A CB 0.000 19.006 19.000 0.010 0.000 0.831 376 A HN 0.000 nan 8.150 nan 0.000 0.486